| 1 | M | 44.5 | Very low | 36 | Very low | 224 Ų | 224 | 133.6 Ų | 133.6 | 100% | 1.103 | 73% | 0.727 | S | S | * | * | | | | 0 | 119.1 | 0 | -58.2 | 172.8 | 85.4 | 0 | 0 | 105.6 | | |
| 2 | T | 37.7 | Very low | 35.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | | | | 59.9 | 132.2 | 53.8 | 79.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 3 | S | 32.1 | Very low | 34.8 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | | 55.2 | 141.3 | 52.9 | 110.3 | 0 | 0 | 0 | 0 | 111 | | |
| 4 | S | 34.3 | Very low | 34.6 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | cis | -164.9 | -170.5 | -1.6 | 22.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 5 | E | 40.1 | Very low | 34.7 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | | | trans | 73.9 | 122.1 | 171.6 | -50.2 | -147.8 | 123.2 | 0 | 0 | 114.8 | K7 | E5-K7 IonicContact OE1-NZ 2.84Å; E5-K7 PolarHBondContact OE1-NZ 3.36Å; E5-K7 IonicContact OE2-NZ 2.77Å; E5-K7 PolarHBondContact OE2-NZ 3.49Å |
| 6 | C | 31.1 | Very low | 34.3 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | | | cis | 67.7 | 84.6 | 29.5 | -41.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 7 | K | 40 | Very low | 34.5 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | | | | -154.5 | 117.6 | 121.1 | -83 | 115.9 | -151.9 | 164.7 | 0 | 105.8 | E5 | E5-K7 IonicContact OE1-NZ 2.84Å; E5-K7 PolarHBondContact OE1-NZ 3.36Å; E5-K7 IonicContact OE2-NZ 2.77Å; E5-K7 PolarHBondContact OE2-NZ 3.49Å |
| 8 | S | 32.7 | Very low | 34.4 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | | | cis | 58.2 | 94.1 | 41.2 | 95.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 9 | K | 37.6 | Very low | 34.4 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 79% | 0.787 | 72% | 0.715 | S | S | * | * | | | | -169.1 | 129.3 | 115.3 | -96.7 | -177.7 | 178.7 | -178.4 | 0 | 108 | | |
| 10 | I | 35.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | | | | 57.9 | 93.3 | 84.2 | -65 | -179.2 | 0 | 0 | 0 | 107.8 | | |
| 11 | N | 29.8 | Very low | 34.2 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | | | | 77.7 | 145.1 | 103.5 | -66.4 | 4.2 | 0 | 0 | 0 | 111.5 | | |
| 12 | S | 29.3 | Very low | 33.5 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | | | cis | -176.9 | 168.4 | -5.9 | 46 | 0 | 0 | 0 | 0 | 106 | | |
| 13 | T | 28 | Very low | 33.3 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | 59.1 | -161.6 | -179.1 | -8.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 14 | I | 32.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | | | cis | -118.9 | 162.1 | 2.5 | -34.6 | 174.8 | 0 | 0 | 0 | 103.3 | C16 | I14-C16 HydrophobicContact CG2-CB 4.46Å; I14-C16 VanDerWaalsContact CG2-SG 3.55Å |
| 15 | E | 36.1 | Very low | 33.8 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | | | cis | -142.3 | 124.6 | 26.8 | -38.5 | -124 | 96.7 | 0 | 0 | 107.4 | | |
| 16 | C | 27.2 | Very low | 33.9 | Very low | 97 Ų | 97 | 133 Ų | 133 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | | | | 73.7 | 152.4 | 79.3 | -72.1 | 0 | 0 | 0 | 0 | 113 | I14 | I14-C16 HydrophobicContact CG2-CB 4.46Å; I14-C16 VanDerWaalsContact CG2-SG 3.55Å |
| 17 | P | 38.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | | | cis | -131.4 | 153.5 | 20.5 | 38.8 | -21.4 | 0 | 0 | 0 | 117.5 | | |
| 18 | V | 33 | Very low | 34.1 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | | | trans | 51.5 | 115.9 | 130.8 | -177 | 0 | 0 | 0 | 0 | 116.8 | | |
| 19 | T | 34.4 | Very low | 34.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | | | | -165.8 | 133.6 | 53.7 | -28.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 20 | Y | 31.5 | Very low | 34.3 | Very low | 220 Ų | 220 | 135.5 Ų | 135.5 | 86% | 0.863 | 72% | 0.717 | S | S | * | * | | | trans | 33.7 | 152.5 | 147.6 | -74.4 | -106.9 | 0 | 0 | 0 | 125.6 | | |
| 21 | V | 32.5 | Very low | 34 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | | | trans | 108.9 | 100.6 | 152.1 | -169.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 22 | N | 29.9 | Very low | 34.1 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | 61.5 | 130.2 | 145.1 | -71.8 | -15.4 | 0 | 0 | 0 | 126.1 | | |
| 23 | N | 33.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | trans | 80.1 | 111.1 | 135.4 | -67.7 | -18 | 0 | 0 | 0 | 124.9 | | |
| 24 | N | 36.1 | Very low | 34.9 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | | 83 | 122 | 125.5 | -76 | -28.6 | 0 | 0 | 0 | 126 | | |
| 25 | Q | 40.6 | Very low | 35 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | | | | 103.7 | 132.2 | 127.2 | -86.1 | -170.6 | 45.7 | 0 | 0 | 124.9 | | |
| 26 | K | 42.3 | Very low | 34.9 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | trans | 75.5 | 148.7 | 144.9 | -75.2 | 178.2 | 171.8 | 173.2 | 0 | 120 | | |
| 27 | Q | 40.7 | Very low | 35.3 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | cis | -157.7 | 157.7 | -9.8 | -132.9 | 168 | -30.4 | 0 | 0 | 114.2 | | |
| 28 | M | 35.9 | Very low | 35.4 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | 1.7 | 166.9 | 146.4 | -77 | 172.1 | 166.7 | 0 | 0 | 122.6 | | |
| 29 | N | 36.6 | Very low | 35.6 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | | | cis | -164.1 | -178.7 | 15.5 | -122 | -8 | 0 | 0 | 0 | 109.2 | | |
| 30 | I | 36.6 | Very low | 35.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | cis | -167.8 | 173.1 | -14.8 | -165.5 | 162.6 | 0 | 0 | 0 | 108.3 | | |
| 31 | G | 30.6 | Very low | 35.9 | Very low | 62 Ų | 62 | 136.6 Ų | 136.6 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 178.5 | 137.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 32 | R | 29.9 | Very low | 36.1 | Very low | 249 Ų | 249 | 136.6 Ų | 136.6 | 94% | 0.94 | 75% | 0.745 | S | S | * | * | | | trans | 59.9 | 174 | 164.6 | -90 | -178 | -179.9 | -149.9 | 1.7 | 117.6 | | |
| 33 | P | 37.5 | Very low | 36.5 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | | | cis | -115.4 | -153.3 | -19.3 | 42.3 | -25.4 | 0 | 0 | 0 | 111.1 | | |
| 34 | P | 37.4 | Very low | 36.8 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | | | trans | -124.2 | 168.1 | -168.8 | 45.5 | -37.1 | 0 | 0 | 0 | 120.2 | | |
| 35 | S | 34 | Very low | 36.7 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | 70 | 140.2 | 146.8 | 63.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 36 | S | 34.5 | Very low | 36.2 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | 91.4 | 167.4 | 164.7 | 79.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 37 | I | 36.5 | Very low | 35.8 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | | | trans | -121.7 | 131.3 | -146 | -61.4 | 163.5 | 0 | 0 | 0 | 113.1 | | |
| 38 | S | 40.5 | Very low | 35.7 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | trans | -172 | 163.5 | 143.8 | -82.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 39 | L | 35.4 | Very low | 35.7 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -136.8 | 163.9 | -177.2 | -88.2 | 168.1 | 0 | 0 | 0 | 110.2 | | |
| 40 | I | 36.2 | Very low | 35.9 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 71.4 | 128 | 159.1 | -72.7 | 156.7 | 0 | 0 | 0 | 113.6 | | |
| 41 | T | 37.3 | Very low | 35.9 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | | | cis | -160.1 | 152.2 | 5.8 | 7.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 42 | D | 35.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | | | | 35.2 | 145.4 | 124.8 | -71.2 | 31.4 | 0 | 0 | 0 | 121.9 | | |
| 43 | Q | 38.2 | Very low | 36.2 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 42% | 0.421 | 74% | 0.744 | S | S | . | * | | | cis | -154.4 | 172.2 | 4.3 | -90.8 | 130.3 | 30.9 | 0 | 0 | 106.2 | K45 L46 | Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.86Å; Q43-L46 VanDerWaalsContact OE1-C 3.3Å |
| 44 | L | 41.1 | Very low | 35.7 | Very low | 182 Ų | 182 | 135 Ų | 135 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -77 | 95.4 | 134.2 | -119.9 | -171.9 | 0 | 0 | 0 | 105.4 | L46 | L44-L46 PolarHBondContact O-N 3.44Š|
| 45 | K | 32.9 | Very low | 35.2 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -36.2 | 123.1 | -164.7 | -66.3 | 176.8 | 178.7 | 177.4 | 0 | 110.9 | Q43 | Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.86Å |
| 46 | L | 31.5 | Very low | 34.9 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | | -157.3 | 133 | 78.2 | -81.3 | 140.5 | 0 | 0 | 0 | 114.6 | Q43 L44 | Q43-L46 VanDerWaalsContact OE1-C 3.3Å; L44-L46 PolarHBondContact O-N 3.44Å |
| 47 | S | 32.4 | Very low | 34.8 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 52% | 0.517 | 74% | 0.74 | S | S | . | * | | | trans | 76.6 | 143 | 136 | -57 | 0 | 0 | 0 | 0 | 120.9 | | |
| 48 | S | 39 | Very low | 34.5 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | trans | 54.8 | 105.4 | 158 | 44 | 0 | 0 | 0 | 0 | 117.4 | | |
| 49 | L | 37 | Very low | 34.2 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | | | | 75.6 | 125.5 | 82.2 | -80.6 | 162.2 | 0 | 0 | 0 | 114 | | |
| 50 | N | 40.2 | Very low | 34.1 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | | | trans | 66.6 | 146.8 | 155.9 | -66.6 | 25.5 | 0 | 0 | 0 | 117.2 | | |
| 51 | E | 37.6 | Very low | 33.7 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | cis | -150.2 | 173.3 | -9.1 | -126.2 | 152.1 | 169.2 | 0 | 0 | 110.4 | | |
| 52 | R | 30.4 | Very low | 33.3 | Very low | 221 Ų | 221 | 142.9 Ų | 142.9 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | -72.4 | 133.6 | 161.3 | -67.3 | 178.1 | 172.5 | 96.7 | -3.4 | 107.4 | | |
| 53 | D | 34.5 | Very low | 33 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | | -170.5 | 177.5 | 116.7 | -104.9 | -23.6 | 0 | 0 | 0 | 115.1 | | |
| 54 | S | 28.4 | Very low | 32.6 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | trans | -30.6 | 135.7 | -178.8 | 58.9 | 0 | 0 | 0 | 0 | 119 | | |
| 55 | C | 25.6 | Very low | 32 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | trans | 64.8 | 123.3 | 142.3 | -155.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 56 | M | 29 | Very low | 31.9 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | | | | 170.8 | 112.6 | 123.2 | -94.3 | -66.1 | 156.9 | 0 | 0 | 111.1 | M58 | M56-M58 HydrophobicContact CB-CG 4.31Å; M56-M58 HydrophobicContact CG-CG 4.26Å; M56-M58 HydrophobicContact SD-CG 3.57Å; M56-M58 VanDerWaalsContact SD-CG 3.57Å |
| 57 | S | 31.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | | | trans | -110.1 | 84.2 | 158 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 58 | M | 31.1 | Very low | 31.8 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | trans | -75.3 | 160.4 | -178.7 | -71.9 | -169.7 | -79.7 | 0 | 0 | 113.2 | M56 | M56-M58 HydrophobicContact CB-CG 4.31Å; M56-M58 HydrophobicContact CG-CG 4.26Å; M56-M58 HydrophobicContact SD-CG 3.57Å; M56-M58 VanDerWaalsContact SD-CG 3.57Å |
| 59 | R | 34.4 | Very low | 31.3 | Very low | 214 Ų | 214 | 142.2 Ų | 142.2 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | trans | 74.2 | 148.2 | 167.2 | -63.5 | 169 | -180 | 173.1 | -0.5 | 114.1 | | |
| 60 | T | 33.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | cis | -123.6 | 122.8 | 21.7 | 48.3 | 0 | 0 | 0 | 0 | 116 | | |
| 61 | M | 27.9 | Very low | 30.3 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | trans | 28.4 | 111.5 | 133.7 | -63.3 | 178.5 | -77.2 | 0 | 0 | 119.2 | | |
| 62 | K | 28.4 | Very low | 30 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | | -147.8 | 126.8 | 123.5 | -138.6 | 174.7 | -175.2 | -179 | 0 | 111.5 | | |
| 63 | M | 29.3 | Very low | 29.8 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | | | trans | 41.4 | 116.3 | 158.9 | -77 | 164.9 | 159.5 | 0 | 0 | 120.7 | | |
| 64 | T | 29.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | trans | 69 | 83.6 | 134.8 | -40.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 65 | V | 27.6 | Very low | 29.8 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 95% | 0.952 | 76% | 0.763 | S | S | * | * | | | trans | -109.3 | 80.5 | 130.2 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 66 | G | 31.3 | Very low | 30.1 | Very low | 47 Ų | 47 | 136.6 Ų | 136.6 | 49% | 0.485 | 76% | 0.764 | S | S | . | * | | | trans | -87 | 131.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 67 | V | 29.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | S | Bend | | 44 | 124 | 127.2 | -178.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 68 | I | 32.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | 79.9 | 126.2 | 164.8 | -70.1 | 163.2 | 0 | 0 | 0 | 116.5 | | |
| 69 | P | 27.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -87.1 | 179.2 | 164.9 | 38.3 | -35.4 | 0 | 0 | 0 | 111.6 | | |
| 70 | T | 28 | Very low | 30 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 68.1 | 138.6 | 172.8 | 19.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 71 | T | 27.6 | Very low | 30 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | 61.9 | 144 | 178.7 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 72 | I | 31.8 | Very low | 30.3 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | | | cis | -127 | 141.2 | 31.1 | -68.3 | 164.5 | 0 | 0 | 0 | 112.3 | T74 | I72-T74 HydrophobicContact CG2-CG2 3.81Å; I72-T74 VanDerWaalsContact CG2-OG1 3.25Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.32Å |
| 73 | T | 27.1 | Very low | 30.5 | Very low | 147 Ų | 147 | 130 Ų | 130 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -123.5 | 109.2 | 165.1 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 74 | T | 30.2 | Very low | 30.6 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | | | trans | -156.2 | 137.3 | -178.2 | 48.7 | 0 | 0 | 0 | 0 | 108 | I72 | I72-T74 HydrophobicContact CG2-CG2 3.81Å; I72-T74 VanDerWaalsContact CG2-OG1 3.25Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.32Å |
| 75 | T | 31.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -132.7 | 173.6 | 1.6 | 54.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 76 | T | 33.1 | Very low | 30.8 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | | | cis | -156.8 | 166.7 | 26.2 | 32.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 77 | S | 32 | Very low | 30.9 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | cis | -172.5 | 139.1 | -17.9 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 78 | K | 31.9 | Very low | 30.8 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 177.9 | 160.1 | 130.7 | -102.5 | 171.6 | -177.8 | 177.5 | 0 | 114.1 | | |
| 79 | S | 31.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 50.8 | 83 | 167.3 | 53.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 80 | M | 28.5 | Very low | 30.6 | Very low | 170 Ų | 170 | 140 Ų | 140 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | | | trans | -25.5 | 151 | 142.3 | -58.6 | 148.2 | 60.8 | 0 | 0 | 115.8 | | |
| 81 | N | 31.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 138 Ų | 138 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -149.7 | 127.1 | 142 | -118.7 | -20.7 | 0 | 0 | 0 | 110 | | |
| 82 | T | 34.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -115.8 | 142.8 | 172.3 | 46 | 0 | 0 | 0 | 0 | 109 | | |
| 83 | G | 33.9 | Very low | 30.8 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -89.1 | 177.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 84 | Q | 31.9 | Very low | 31 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 81.6 | 113 | 150.9 | -68.9 | -168.9 | -62.2 | 0 | 0 | 121.5 | | |
| 85 | H | 31.9 | Very low | 31.2 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | trans | 73.7 | 87.1 | 136.4 | -64.9 | -61.1 | 0 | 0 | 0 | 122.6 | | |
| 86 | N | 27.7 | Very low | 31.3 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | | 79.1 | 152.9 | 106.2 | -147.6 | 19.1 | 0 | 0 | 0 | 120.9 | | |
| 87 | I | 33.2 | Very low | 31.2 | Very low | 146 Ų | 146 | 146 Ų | 146 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | 69.9 | 88.1 | 170.2 | -41.4 | 175.2 | 0 | 0 | 0 | 116.6 | | |
| 88 | N | 28.5 | Very low | 31.2 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | | -155.8 | 160.9 | 111 | -146 | -0.1 | 0 | 0 | 0 | 110.6 | | |
| 89 | C | 26 | Very low | 30.9 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | -142.8 | 122.5 | -177.3 | -76.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 90 | E | 30.9 | Very low | 30.8 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | 172.2 | 152.8 | 162.8 | -103.3 | 173.9 | -153 | 0 | 0 | 107.2 | | |
| 91 | S | 29.1 | Very low | 30.9 | Very low | 81 Ų | 81 | 145.6 Ų | 145.6 | 57% | 0.566 | 78% | 0.78 | S | S | * | * | | | cis | -159.3 | 146.7 | -9.7 | -134.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 92 | Y | 29.2 | Very low | 30.5 | Very low | 225 Ų | 225 | 145.5 Ų | 145.5 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | 41.4 | 133.9 | 166.2 | -57.8 | -77.6 | 0 | 0 | 0 | 122 | | |
| 93 | G | 32.7 | Very low | 30.7 | Very low | 62 Ų | 62 | 144.1 Ų | 144.1 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | cis | 158.3 | 178.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 94 | L | 32.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | 68.4 | 137.1 | 170.7 | -56 | 165.4 | 0 | 0 | 0 | 115.1 | | |
| 95 | K | 33.6 | Very low | 30.6 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | | | cis | -159.4 | 131 | 18.1 | -136.2 | 164.1 | -175.1 | 177.3 | 0 | 111.5 | | |
| 96 | T | 33.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | 54.2 | 142.8 | 143.3 | 55.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 97 | R | 31.9 | Very low | 30.5 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | | | cis | -163.2 | 148.5 | 0.5 | -126.6 | 178.1 | 174.8 | 170.2 | -1.9 | 112.2 | | |
| 98 | N | 31.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | 43 | 122.6 | 148 | -62.3 | 13.2 | 0 | 0 | 0 | 122.4 | | |
| 99 | A | 25.4 | Very low | 30.6 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | -91.6 | 171.9 | 137.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 100 | Y | 29.4 | Very low | 30.9 | Very low | 231 Ų | 231 | 143 Ų | 143 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | | | trans | 176.8 | 139.6 | 135.8 | -100.7 | -63.1 | 0 | 0 | 0 | 115.1 | | |
| 101 | S | 30.7 | Very low | 30.9 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 74.6 | 151.2 | 151.8 | -150.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 102 | M | 23.3 | Very low | 31 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 82% | 0.823 | 76% | 0.758 | S | S | * | * | | | trans | -116.4 | -155.9 | 172.2 | -40.6 | 164.2 | 68.7 | 0 | 0 | 108 | | |
| 103 | P | 39.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | cis | -137.8 | -164.4 | -19.7 | 24.7 | 1.7 | 0 | 0 | 0 | 114.4 | | |
| 104 | I | 32.1 | Very low | 31 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | 100 | 117.1 | 151.1 | -54.1 | -176.9 | 0 | 0 | 0 | 119.9 | | |
| 105 | H | 30.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | | | trans | 17.4 | 151.4 | 142.6 | -69.7 | -82.8 | 0 | 0 | 0 | 122.9 | | |
| 106 | S | 29.4 | Very low | 30.8 | Very low | 80 Ų | 80 | 144.8 Ų | 144.8 | 56% | 0.559 | 75% | 0.751 | S | S | * | * | | | cis | -173.7 | 139.9 | -13.1 | -112.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 107 | I | 29.4 | Very low | 30.8 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | 69.6 | 147.3 | 149.5 | -48.3 | 158.3 | 0 | 0 | 0 | 118 | | |
| 108 | I | 32.8 | Very low | 30.8 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | 67.5 | 129 | -178.2 | -36.2 | -176.6 | 0 | 0 | 0 | 114.3 | | |
| 109 | G | 30.8 | Very low | 30.9 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | cis | 165.2 | 153.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 110 | L | 31.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | | | trans | 71.9 | 111 | 166.5 | -58.6 | 172.8 | 0 | 0 | 0 | 120.9 | | |
| 111 | Q | 30.4 | Very low | 31.1 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | | 75.2 | 132.7 | 125.5 | -63.8 | -73.4 | -7.4 | 0 | 0 | 122.4 | | |
| 112 | L | 31.5 | Very low | 31 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | trans | 69.7 | 142.9 | 155.9 | -95.2 | 63.4 | 0 | 0 | 0 | 117.8 | | |
| 113 | K | 31.3 | Very low | 31.3 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 64% | 0.635 | 74% | 0.735 | S | S | * | * | | | cis | -162.6 | 145.3 | 1.1 | -153.7 | 168 | -163.2 | 162.4 | 0 | 113.3 | | |
| 114 | R | 31.7 | Very low | 30.9 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 75% | 0.751 | 74% | 0.736 | S | S | * | * | | | trans | 70 | 120.8 | 154.5 | -86.1 | 163.5 | -178 | 163.6 | -3.2 | 122.2 | | |
| 115 | N | 27.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | | | trans | 63.1 | 153.1 | 137.9 | -54.3 | 15.7 | 0 | 0 | 0 | 118.3 | | |
| 116 | I | 33.8 | Very low | 30.5 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | | | cis | -139.9 | 155.3 | 22.4 | -57.8 | 163 | 0 | 0 | 0 | 111.3 | | |
| 117 | T | 33.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | 69.7 | 120.2 | 160.3 | 35.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 118 | S | 31.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | | 69.2 | 85.9 | 128.6 | -140.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 119 | N | 32.5 | Very low | 30.5 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | | -179.4 | 101.7 | 97.9 | -93.8 | 11.3 | 0 | 0 | 0 | 111.3 | | |
| 120 | D | 29.9 | Very low | 30.5 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | trans | -75.1 | 160.6 | 158.2 | -42.3 | -80.3 | 0 | 0 | 0 | 108.7 | | |
| 121 | N | 30.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | cis | -140 | 145 | 18.8 | -58.8 | -106.6 | 0 | 0 | 0 | 110.2 | | |
| 122 | D | 28.7 | Very low | 30.2 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | S | Bend | | -99.8 | 153.6 | 128.6 | -145.3 | -26.9 | 0 | 0 | 0 | 107.2 | | |
| 123 | S | 28.9 | Very low | 30.3 | Very low | 85 Ų | 85 | 146 Ų | 146 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 69.1 | 131.3 | -179.7 | 78.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 124 | T | 30.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | 23 | 113 | 147.9 | 52.8 | 0 | 0 | 0 | 0 | 121.3 | N126 | T124-N126 PolarHBondContact O-N 3.13Š|
| 125 | N | 27.4 | Very low | 30.2 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -72.9 | 110.5 | 154.8 | -174.3 | 3.9 | 0 | 0 | 0 | 110.3 | | |
| 126 | N | 27.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | trans | -122.4 | 125.1 | 176.1 | -112.1 | -9.3 | 0 | 0 | 0 | 108.9 | T124 | T124-N126 PolarHBondContact O-N 3.13Š|
| 127 | N | 30.2 | Very low | 30.4 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | | | trans | -100.7 | 127.9 | 168.6 | -102.5 | -26.9 | 0 | 0 | 0 | 109.9 | | |
| 128 | N | 28.9 | Very low | 30.2 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -79.9 | 151.9 | -174.4 | -79.1 | -54.1 | 0 | 0 | 0 | 113.6 | | |
| 129 | T | 32.4 | Very low | 30 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | | -141.6 | 113.7 | 128.7 | 17.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 130 | D | 30.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | | | trans | 61.9 | 101.5 | 142.4 | -54.1 | -21.1 | 0 | 0 | 0 | 125.1 | | |
| 131 | W | 27.9 | Very low | 29.8 | Very low | 218 Ų | 218 | 136.7 Ų | 136.7 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | | | | 50.2 | 120.1 | 117.4 | -65.3 | 100.6 | 0 | 0 | 0 | 122.8 | | |
| 132 | R | 28.5 | Very low | 29.9 | Very low | 227 Ų | 227 | 141.2 Ų | 141.2 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | | | trans | 75.6 | 145.1 | 154.6 | -59.1 | 173.1 | 173.7 | -150 | -2.9 | 117.9 | | |
| 133 | S | 32.8 | Very low | 29.9 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | | | cis | -174.4 | 164.9 | -14.4 | -89 | 0 | 0 | 0 | 0 | 108.8 | | |
| 134 | G | 26.9 | Very low | 29.8 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | cis | 154.3 | 63.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 135 | S | 33.6 | Very low | 29.7 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | | | trans | -162.2 | 141 | 169.4 | -79.7 | 0 | 0 | 0 | 0 | 110.9 | N516 | S135-N516 PolarHBondContact OG-ND2 3.16Å; S135-N516 VanDerWaalsContact OG-ND2 3.08Å |
| 136 | K | 33.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 51% | 0.513 | 73% | 0.726 | S | S | . | * | | | cis | 90.8 | 138.2 | 41.4 | -68 | 166.9 | 115.6 | -74.7 | 0 | 112.8 | N515 N516 | K136-N515 VanDerWaalsContact C-OD1 3.26Å; K136-N515 WeakPolarHBondContact CB-OD1 3.1Å; K136-N515 PolarHBondContact O-ND2 3Å; K136-N515 PolarHBondContact O-OD1 3.35Å; K136-N515 VanDerWaalsContact O-OD1 3.09Å; K136-N516 WeakPolarHBondContact CD-OD1 3.28Å; K136-N516 WeakPolarHBondContact CE-OD1 3.16Å; K136-N516 PolarHBondContact NZ-OD1 3.31Å |
| 137 | D | 32.4 | Very low | 29.6 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 49% | 0.492 | 73% | 0.728 | S | S | . | * | | | cis | -163.1 | 158.8 | -0.8 | -101.5 | -17.4 | 0 | 0 | 0 | 116.1 | | |
| 138 | Y | 29.3 | Very low | 30 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | 25.1 | 127.3 | 153.5 | -70.3 | -95.9 | 0 | 0 | 0 | 128.1 | | |
| 139 | H | 28.1 | Very low | 30.1 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | | | | 24.4 | 136.9 | 128.6 | -78.2 | -73.3 | 0 | 0 | 0 | 127.9 | | |
| 140 | H | 28.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | trans | 84.5 | 106.5 | 133 | -74.2 | 141 | 0 | 0 | 0 | 125.5 | | |
| 141 | S | 29.5 | Very low | 30.3 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | | 102.2 | 119.4 | 114.4 | -68 | 0 | 0 | 0 | 0 | 124.5 | | |
| 142 | R | 31.1 | Very low | 30.6 | Very low | 232 Ų | 232 | 140 Ų | 140 | 88% | 0.875 | 73% | 0.726 | S | S | * | * | | | trans | 81 | 108.8 | 147.4 | -69.2 | -173.2 | 173.5 | -154.3 | -2.5 | 122.4 | | |
| 143 | T | 28.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | | | | 32.8 | 137.9 | 119.3 | -2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 144 | V | 28 | Very low | 30.7 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | | | | -159.2 | 142.2 | 55.1 | 175.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 145 | H | 27.8 | Very low | 30.9 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | | | trans | 51.6 | 113.7 | 156.9 | -65.3 | -37.2 | 0 | 0 | 0 | 126.2 | | |
| 146 | F | 27.3 | Very low | 30.6 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | | | | 78.9 | 141.5 | 121.3 | -77.8 | -56.4 | 0 | 0 | 0 | 125.4 | | |
| 147 | H | 27.1 | Very low | 30.4 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | 59 | 97.9 | 162.1 | -74.9 | -70.3 | 0 | 0 | 0 | 119.5 | | |
| 148 | D | 37.1 | Very low | 30.2 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | | -147.5 | 164.4 | 109.8 | -135.5 | -27.2 | 0 | 0 | 0 | 111.4 | | |
| 149 | V | 31.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -125.1 | 115.3 | -166.3 | 177.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 150 | F | 36 | Very low | 30.4 | Very low | 214 Ų | 214 | 138 Ų | 138 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | | | trans | -151.9 | 101.2 | 154 | -98.1 | -71.3 | 0 | 0 | 0 | 112.5 | | |
| 151 | A | 30.4 | Very low | 30.5 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | -99.5 | 162 | 147.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 152 | P | 35.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | | -156.6 | 160.2 | 74.4 | 40.6 | -21.3 | 0 | 0 | 0 | 117.5 | | |
| 153 | S | 31.2 | Very low | 30.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 160.9 | 117.9 | 130.8 | 59.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 154 | S | 30.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | S | Bend | cis | -130.9 | 156 | 1.8 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 155 | S | 32.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | cis | -153.2 | 137.5 | -14.5 | 43.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 156 | V | 26.6 | Very low | 30.6 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -122.9 | 175.8 | -178.4 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 157 | C | 29.5 | Very low | 31.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | 91.4 | 91.7 | 163.1 | -56.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 158 | S | 26.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -67.9 | 134.6 | 139.4 | 42.4 | 0 | 0 | 0 | 0 | 110 | | |
| 159 | S | 31.5 | Very low | 31.4 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -158.8 | 108.9 | 159.1 | -83.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 160 | L | 30 | Very low | 31.7 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | | | trans | -69.4 | 138.8 | 155.7 | -75.6 | 154.5 | 0 | 0 | 0 | 108.4 | | |
| 161 | R | 31.4 | Very low | 31.8 | Very low | 236 Ų | 236 | 130.5 Ų | 130.5 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | | | trans | -148 | 127.7 | 147.3 | -153.4 | 169.5 | -167.2 | -176.1 | 4 | 111.4 | | |
| 162 | S | 31.3 | Very low | 31.7 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | 42.6 | 95 | 157.8 | -61.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 163 | T | 31.7 | Very low | 31.9 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 62 | 115.3 | 86.9 | 62.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 164 | M | 27.6 | Very low | 32.1 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | | | trans | 54.4 | 138.6 | 142.8 | -71.9 | 166.1 | 61.3 | 0 | 0 | 119.4 | | |
| 165 | S | 28.7 | Very low | 32.6 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 56% | 0.559 | 75% | 0.747 | S | S | * | * | | | cis | -167 | 154.5 | -6.5 | -170 | 0 | 0 | 0 | 0 | 107.8 | | |
| 166 | E | 29 | Very low | 33.1 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | 56.8 | 136.2 | 172.9 | -67.6 | 125.9 | 139.9 | 0 | 0 | 115.7 | | |
| 167 | F | 37.5 | Very low | 33.3 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | | -153 | 153.7 | 64.5 | -111.8 | -107.6 | 0 | 0 | 0 | 112.5 | | |
| 168 | E | 39 | Very low | 33.8 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | | | trans | 45.1 | 116.2 | 151.7 | -73.2 | 178.5 | 140.7 | 0 | 0 | 121.6 | | |
| 169 | N | 30.6 | Very low | 33.9 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | | | | 62.5 | 151.8 | 119.9 | -53.1 | -14.3 | 0 | 0 | 0 | 120.9 | | |
| 170 | G | 38.4 | Very low | 33.8 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | trans | 97.1 | 94.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 171 | N | 37.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | | | cis | -159.5 | 139.9 | -22 | -121.1 | 51 | 0 | 0 | 0 | 105 | | |
| 172 | E | 28.4 | Very low | 33.7 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | | | | 48.8 | 86.2 | 71.7 | -81.6 | -167 | 165.9 | 0 | 0 | 114.3 | V174 | E172-V174 HydrophobicContact CB-CG2 3.7Å; E172-V174 HydrophobicContact CG-CG2 3.83Å |
| 173 | I | 39.9 | Very low | 33.6 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 86% | 0.862 | 72% | 0.717 | S | S | * | * | | | | -128.8 | 100 | 119.5 | -65.3 | -171.1 | 0 | 0 | 0 | 105 | | |
| 174 | V | 37 | Very low | 33.4 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 45% | 0.448 | 72% | 0.722 | S | S | . | * | | | | 66.9 | 101.3 | 57.6 | -174 | 0 | 0 | 0 | 0 | 109.6 | E172 L176 | E172-V174 HydrophobicContact CB-CG2 3.7Å; E172-V174 HydrophobicContact CG-CG2 3.83Å; V174-L176 HydrophobicContact CG1-CG 4.43Å |
| 175 | N | 40.6 | Very low | 33.5 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | | -149.8 | 132.1 | 84 | -86.1 | -62 | 0 | 0 | 0 | 110.8 | | |
| 176 | L | 42.4 | Very low | 33.3 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | | | | 67.7 | 132.4 | 85.7 | -64 | -171.9 | 0 | 0 | 0 | 113 | V174 | V174-L176 HydrophobicContact CG1-CG 4.43Š|
| 177 | E | 30.7 | Very low | 33.4 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | cis | -159.6 | -164.7 | -5.6 | -138.8 | -165.8 | 139.9 | 0 | 0 | 111.2 | | |
| 178 | P | 39.3 | Very low | 32.8 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | | | | -129.6 | -169.2 | -114.5 | 46.8 | -29.3 | 0 | 0 | 0 | 116.2 | | |
| 179 | N | 30.1 | Very low | 32.5 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | -9.4 | 133.3 | 147.3 | -48.6 | -33.9 | 0 | 0 | 0 | 117 | | |
| 180 | S | 28.8 | Very low | 32.4 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | | 163.3 | 131.8 | 89.9 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 181 | S | 30.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 57.2 | 145.5 | 143.7 | 63.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 182 | S | 28.6 | Very low | 31.8 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | trans | 87.3 | 152.6 | 154.1 | -151.5 | 0 | 0 | 0 | 0 | 119 | | |
| 183 | L | 30.5 | Very low | 32 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | 60.2 | 134.9 | 171.8 | -63.9 | 152.7 | 0 | 0 | 0 | 115.5 | | |
| 184 | H | 26 | Very low | 31.6 | Very low | 183 Ų | 183 | 120.1 Ų | 120.1 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | | | cis | 66.2 | 54.3 | 22.3 | -119.6 | -61.7 | 0 | 0 | 0 | 114.8 | | |
| 185 | V | 30.6 | Very low | 31.5 | Very low | 133 Ų | 133 | 126 Ų | 126 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | trans | -158.3 | 156.9 | 148.8 | 127.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 186 | L | 25.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 123.8 Ų | 123.8 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | -72 | 133.9 | -174.4 | -54.7 | 106 | 0 | 0 | 0 | 114.2 | | |
| 187 | S | 29.6 | Very low | 30.7 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | | | trans | -166.2 | 121.8 | 151.5 | -76.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 188 | A | 25 | Very low | 30.8 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | | | cis | 68 | 133.2 | 25.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 189 | S | 33.2 | Very low | 30.5 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | | | trans | 75.7 | 113.6 | -160.5 | -34.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 190 | A | 28.8 | Very low | 30.4 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | cis | 61.9 | 136.1 | 25.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 191 | P | 33.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | | -144.5 | -179.3 | 50.4 | 42.6 | -25.2 | 0 | 0 | 0 | 116.7 | | |
| 192 | A | 28.6 | Very low | 30.8 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | | | trans | 65.5 | 143.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 193 | T | 33.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | | | cis | -163.7 | 150.1 | -8.4 | 13.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 194 | N | 31.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | | | trans | 53.6 | 125.3 | 150.3 | -56.5 | -11.3 | 0 | 0 | 0 | 118.4 | | |
| 195 | Y | 34.5 | Very low | 30.9 | Very low | 198 Ų | 198 | 124.6 Ų | 124.6 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | cis | -165.7 | 162.6 | 9.2 | -83.7 | -40.9 | 0 | 0 | 0 | 107.1 | | |
| 196 | S | 35 | Very low | 30.8 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | | | cis | -165.7 | 161 | -5 | -109.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 197 | L | 32.4 | Very low | 30.9 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | 35.6 | 126.1 | 146.1 | -47.1 | 174.8 | 0 | 0 | 0 | 120.2 | | |
| 198 | N | 32.5 | Very low | 30.8 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | cis | -161.7 | 138.8 | 1 | -114.2 | -2.6 | 0 | 0 | 0 | 113.7 | | |
| 199 | S | 32.7 | Very low | 30.9 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | | | trans | 18.4 | 131.9 | 142.5 | 54.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 200 | M | 28.9 | Very low | 30.7 | Very low | 176 Ų | 176 | 133 Ų | 133 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | | | cis | 56.8 | 149 | 18.3 | -74.9 | -148.6 | -54.3 | 0 | 0 | 117.8 | | |
| 201 | S | 34.2 | Very low | 30.5 | Very low | 77 Ų | 77 | 133 Ų | 133 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | | | cis | 177.4 | 178 | -31.4 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 202 | N | 31.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | | | trans | 69.7 | 167.3 | 154.4 | -65.7 | -11.4 | 0 | 0 | 0 | 120.8 | | |
| 203 | V | 29.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | | | cis | -165.9 | 152.8 | -48.2 | 95.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 204 | L | 30.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | | | trans | 59 | 123.4 | 160.6 | -71.4 | 169.7 | 0 | 0 | 0 | 124.6 | | |
| 205 | K | 28.7 | Very low | 30 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | | | trans | 43.6 | 126.2 | 137.1 | -68.3 | -177.2 | 178.8 | -178.3 | 0 | 122.1 | | |
| 206 | F | 27.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 82% | 0.816 | 71% | 0.708 | S | S | * | * | | | | -167.7 | 150.7 | 97.1 | -116.4 | -82.1 | 0 | 0 | 0 | 113.2 | | |
| 207 | N | 28.2 | Very low | 29.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | | | trans | 60.2 | 149.5 | 161.4 | -86.3 | 14.1 | 0 | 0 | 0 | 124.2 | | |
| 208 | E | 28.3 | Very low | 29.3 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | trans | 64.3 | 119.5 | 149.7 | -71.2 | 179 | 113.6 | 0 | 0 | 123.9 | | |
| 209 | I | 25.1 | Very low | 29.1 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | | | trans | 46.1 | 143.7 | 134.3 | -34.1 | 176 | 0 | 0 | 0 | 120.4 | | |
| 210 | Q | 29.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | | | trans | 81.6 | 130.8 | 175.5 | -52.3 | -169.5 | -11.7 | 0 | 0 | 113.3 | | |
| 211 | S | 24.2 | Very low | 29.2 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | | | cis | 78.3 | 117.3 | 32.5 | 84.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 212 | C | 26.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | | | trans | 66.1 | 158.3 | -177.5 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 213 | Q | 31.7 | Very low | 29.6 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | | | cis | -154.1 | 136.9 | -19.6 | -108.1 | 169.7 | -73.7 | 0 | 0 | 105.6 | | |
| 214 | Q | 28.1 | Very low | 29.5 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 62% | 0.617 | 71% | 0.711 | S | S | * | * | | | | 74.6 | 139.7 | 82.7 | -150.3 | -170.3 | 13.6 | 0 | 0 | 114.2 | | |
| 215 | H | 30.7 | Very low | 30 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | | | trans | 72.3 | 146.5 | 168 | -66.8 | -59.1 | 0 | 0 | 0 | 119.1 | | |
| 216 | Y | 27.6 | Very low | 30.1 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | | | cis | -169.3 | 152.3 | -23.3 | -128.1 | -158.7 | 0 | 0 | 0 | 113.5 | | |
| 217 | H | 28.3 | Very low | 30.2 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 61% | 0.611 | 70% | 0.704 | S | S | * | * | | | trans | 57.5 | 159.9 | 138.9 | -84.9 | -13.8 | 0 | 0 | 0 | 126.2 | | |
| 218 | H | 30.5 | Very low | 30.4 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | trans | 84.4 | 148 | 151.2 | -70.7 | -14.2 | 0 | 0 | 0 | 119.8 | | |
| 219 | I | 28.9 | Very low | 30.5 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 52% | 0.523 | 72% | 0.715 | S | S | . | * | | | cis | -167.6 | 161.5 | -29.2 | -127.4 | 174.8 | 0 | 0 | 0 | 107.9 | | |
| 220 | D | 33.6 | Very low | 30.6 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | | | trans | 176.4 | 127.5 | 144.4 | -91.2 | -22.3 | 0 | 0 | 0 | 108.6 | | |
| 221 | H | 28.9 | Very low | 30.8 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | | | cis | 70 | 159.3 | 15.3 | -74.5 | -26.5 | 0 | 0 | 0 | 116.7 | | |
| 222 | P | 43.7 | Very low | 30.8 | Very low | 101 Ų | 101 | 151.4 Ų | 151.4 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | | | cis | -133.7 | -160.5 | -36.1 | 37.7 | -20.5 | 0 | 0 | 0 | 111 | | |
| 223 | Y | 30.9 | Very low | 31 | Very low | 231 Ų | 231 | 153.7 Ų | 153.7 | 91% | 0.906 | 72% | 0.719 | S | S | * | * | | | trans | -164.2 | 150.6 | 140.3 | -110.9 | -69 | 0 | 0 | 0 | 115.2 | | |
| 224 | H | 27 | Very low | 30.9 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | | | trans | -159.2 | -159.7 | -177.9 | -151.5 | 41.4 | 0 | 0 | 0 | 107.5 | | |
| 225 | P | 42.1 | Very low | 31 | Very low | 85 Ų | 85 | 154.6 Ų | 154.6 | 55% | 0.552 | 72% | 0.722 | S | S | * | * | | | cis | -145.2 | -175.3 | -3.9 | 47.4 | -28.7 | 0 | 0 | 0 | 118.4 | | |
| 226 | H | 30.6 | Very low | 31.4 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | 63.6 | 134.5 | 147.1 | -58.3 | -38.4 | 0 | 0 | 0 | 124.3 | | |
| 227 | L | 29.4 | Very low | 31.5 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 86% | 0.859 | 73% | 0.733 | S | S | * | * | | | trans | -165.8 | 177.8 | 137.5 | -111.9 | 168.3 | 0 | 0 | 0 | 113 | | |
| 228 | H | 31.9 | Very low | 31.8 | Very low | 164 Ų | 164 | 155 Ų | 155 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | -70.5 | 148.9 | -166.6 | -68.4 | -79.6 | 0 | 0 | 0 | 118.1 | | |
| 229 | H | 29.8 | Very low | 32 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 88% | 0.884 | 73% | 0.733 | S | S | * | * | | | | -153 | -173.8 | 124.5 | -116.9 | 66.1 | 0 | 0 | 0 | 114.5 | | |
| 230 | R | 28.3 | Very low | 32.4 | Very low | 209 Ų | 209 | 154.5 Ų | 154.5 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | | | trans | -147.9 | 163.2 | -152.6 | -166.7 | -173.3 | -178.8 | -179.1 | 1.3 | 112.3 | | |
| 231 | H | 33.5 | Very low | 32.2 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | 88.9 | 166.5 | 169.4 | -74.8 | -79.1 | 0 | 0 | 0 | 119.8 | | |
| 232 | H | 25.6 | Very low | 32.3 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | | | trans | -104.9 | 175.5 | -161.8 | -81.1 | -107.3 | 0 | 0 | 0 | 113.8 | | |
| 233 | H | 29.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 73% | 0.731 | 73% | 0.734 | S | S | * | * | | | trans | 94.2 | 133.5 | 153.2 | -84.5 | -87.2 | 0 | 0 | 0 | 120.3 | | |
| 234 | H | 29.5 | Very low | 31.6 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 68% | 0.676 | 72% | 0.716 | S | S | * | * | | | trans | 63.1 | 124.2 | 152.2 | -72.3 | -62.4 | 0 | 0 | 0 | 122.7 | | |
| 235 | H | 31.5 | Very low | 31.6 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | | | trans | 65.9 | 149.9 | 139.8 | -78.3 | -75.4 | 0 | 0 | 0 | 121.9 | | |
| 236 | H | 37.8 | Very low | 30.7 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | | | trans | 59 | 70.1 | 162.5 | -69.6 | -65.9 | 0 | 0 | 0 | 119.3 | | |
| 237 | Q | 29.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | | | | 53.9 | 142.5 | 108.9 | -139.8 | -178.3 | 15.6 | 0 | 0 | 120.8 | | |
| 238 | I | 34.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 61% | 0.61 | 70% | 0.696 | S | S | * | * | | | trans | 61.7 | 150.4 | 173.2 | 15.4 | -175.7 | 0 | 0 | 0 | 114.9 | N240 | I238-N240 WeakPolarHBondContact CG2-OD1 3.41Š|
| 239 | N | 34.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | | | cis | -150.9 | 163.5 | 46.3 | -71.3 | -67 | 0 | 0 | 0 | 110.3 | | |
| 240 | N | 38.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | S | Bend | cis | -165 | 160.6 | -16 | -99.5 | -10.5 | 0 | 0 | 0 | 107.2 | I238 | I238-N240 WeakPolarHBondContact CG2-OD1 3.41Š|
| 241 | S | 30 | Very low | 30.3 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | | | cis | -153.5 | 146.5 | 0.8 | -112.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 242 | N | 31.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | | | cis | 65 | 131.2 | 12.7 | -73.8 | -1.3 | 0 | 0 | 0 | 118.2 | | |
| 243 | N | 29.7 | Very low | 30.3 | Very low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | | | trans | 80.1 | 128.1 | 175.3 | -49.9 | -6.2 | 0 | 0 | 0 | 115.8 | | |
| 244 | N | 29.6 | Very low | 30.1 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | | | cis | -148.7 | 131 | -10.3 | -86.3 | -23 | 0 | 0 | 0 | 106.6 | | |
| 245 | T | 26.9 | Very low | 30.2 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 58% | 0.583 | 67% | 0.671 | S | S | * | * | | | | 51 | 137 | 74.6 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 246 | V | 23.3 | Very low | 30.1 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | | | cis | 53.4 | 87 | -2.9 | -166.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 247 | T | 30.1 | Very low | 29.7 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 60% | 0.595 | 68% | 0.675 | S | S | * | * | | | | -176.3 | 144.7 | 111.7 | 31.4 | 0 | 0 | 0 | 0 | 112.2 | E1246 | T247-E1246 CarbonylContact C-O 3.13Š|
| 248 | P | 28.3 | Very low | 29.6 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 51% | 0.506 | 67% | 0.674 | S | S | . | * | | | trans | -69.2 | 177.1 | 164 | -19 | 33 | 0 | 0 | 0 | 115.2 | Q1245 | P248-Q1245 HydrophobicContact CB-CB 4.3Å; P248-Q1245 WeakPolarHBondContact CB-O 3.3Å; P248-Q1245 WeakPolarHBondContact CG-O 3.25Å |
| 249 | S | 29.9 | Very low | 29.4 | Very low | 77 Ų | 77 | 114.1 Ų | 114.1 | 54% | 0.538 | 68% | 0.675 | S | S | . | * | | | trans | 89.7 | 159.6 | 154.3 | 92.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 250 | T | 29.4 | Very low | 29.1 | Very low | 111 Ų | 111 | 117 Ų | 117 | 68% | 0.681 | 68% | 0.682 | S | S | * | * | | | cis | -139.1 | 157.5 | 8.9 | -21 | 0 | 0 | 0 | 0 | 112.9 | | |
| 251 | S | 23.6 | Very low | 29 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | | | trans | -38.6 | 148 | 167.9 | 55.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 252 | T | 28.2 | Very low | 28.9 | Very low | 121 Ų | 121 | 115.2 Ų | 115.2 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | | | | -176.6 | 153.3 | 114.4 | 23 | 0 | 0 | 0 | 0 | 115.5 | | |
| 253 | F | 30.1 | Very low | 29 | Very low | 173 Ų | 173 | 112.4 Ų | 112.4 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | | | trans | 60.1 | 85.3 | 156.9 | -64.3 | -59.7 | 0 | 0 | 0 | 123.2 | | |
| 254 | N | 26.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | | | | 65.3 | 149.5 | 111.2 | -68.4 | 3.2 | 0 | 0 | 0 | 124.7 | | |
| 255 | F | 29.8 | Very low | 29.4 | Very low | 192 Ų | 192 | 110.7 Ų | 110.7 | 84% | 0.842 | 66% | 0.659 | S | S | * | * | | | trans | 77 | 120.3 | 167.8 | -61 | -65.9 | 0 | 0 | 0 | 115.9 | | |
| 256 | S | 29.9 | Very low | 29.8 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | | | cis | -154.1 | 165.8 | 11.7 | -81 | 0 | 0 | 0 | 0 | 114.6 | | |
| 257 | S | 30.2 | Very low | 30.4 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 88% | 0.881 | 66% | 0.655 | S | S | * | * | | | trans | 79.9 | 150.8 | 162 | 5.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 258 | A | 27.9 | Very low | 30.6 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 74% | 0.736 | 66% | 0.664 | S | S | * | * | | | trans | -93.9 | -179.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 259 | S | 30.3 | Very low | 31.2 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | | | cis | -166.5 | 161.7 | 31.1 | -32.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 260 | F | 28.9 | Very low | 31.4 | Very low | 195 Ų | 195 | 120.5 Ų | 120.5 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | | | trans | 56.3 | 125.6 | 152.9 | -60.5 | -62.3 | 0 | 0 | 0 | 123.3 | | |
| 261 | P | 34.8 | Very low | 32 | Very low | 85 Ų | 85 | 121 Ų | 121 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | | | trans | -105.9 | 170.5 | 143.8 | 8.6 | 13.6 | 0 | 0 | 0 | 112.4 | T1239 | P261-T1239 WeakPolarHBondContact CB-OG1 3.21Š|
| 262 | C | 28 | Very low | 32.3 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 57% | 0.568 | 67% | 0.67 | S | S | * | * | | | trans | -126.4 | 159.4 | -173.6 | -68.9 | 0 | 0 | 0 | 0 | 115.9 | Q1237 R1238 T1239 | C262-Q1237 CarbonylContact O-C 3.57Å; C262-R1238 CarbonylContact O-C 3.04Å; C262-R1238 WeakPolarHBondContact O-CA 3.17Å; C262-T1239 PolarHBondContact N-OG1 3.34Å; C262-T1239 VanDerWaalsContact N-OG1 3.15Å; C262-T1239 PolarHBondContact O-N 3.09Å; C262-T1239 PolarHBondContact O-OG1 2.86Å |
| 263 | S | 33.1 | Very low | 32.3 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 48% | 0.483 | 67% | 0.673 | S | S | . | * | | | trans | 135.3 | 143 | 149 | -43 | 0 | 0 | 0 | 0 | 112.8 | | |
| 264 | V | 33.9 | Very low | 32.2 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 48% | 0.479 | 67% | 0.671 | S | S | . | * | | | cis | 69 | 146.9 | -1.6 | 176.7 | 0 | 0 | 0 | 0 | 116 | N1235 R1236 Q1237 | V264-N1235 VanDerWaalsContact CG1-O 3.26Å; V264-N1235 WeakPolarHBondContact CG1-O 2.61Å; V264-R1236 CarbonylContact O-C 3.19Å; V264-R1236 WeakPolarHBondContact O-CA 3.14Å; V264-Q1237 WeakPolarHBondContact O-CA 3.42Å; V264-Q1237 PolarHBondContact O-N 2.77Å; V264-Q1237 VanDerWaalsContact O-N 3.14Å |
| 265 | D | 33.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 67% | 0.674 | S | S | * | * | | | cis | -159.5 | -159.6 | -33.8 | -91.4 | -16.3 | 0 | 0 | 0 | 111.4 | | |
| 266 | D | 36.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 119 Ų | 119 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | | | trans | -130.1 | -178.5 | -150.5 | -164.6 | 13.8 | 0 | 0 | 0 | 116 | | |
| 267 | K | 36.1 | Very low | 32.4 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | | | trans | 32.8 | 128.8 | 156.4 | -79.5 | -177.7 | -165.2 | 85.5 | 0 | 127.1 | T1233 | K267-T1233 WeakPolarHBondContact O-CG2 2.36Š|
| 268 | F | 34.6 | Very low | 32.3 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | | | trans | 63.3 | 168.7 | 136.8 | -97.2 | -87.3 | 0 | 0 | 0 | 123.9 | T1233 | F268-T1233 VanDerWaalsContact N-CG2 3.26Å; F268-T1233 VanDerWaalsContact O-CG2 3.3Å; F268-T1233 WeakPolarHBondContact O-CG2 3.44Å; F268-T1233 PolarHBondContact O-N 3.39Å |
| 269 | D | 39.7 | Very low | 32.3 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | | | trans | -112.2 | 109.1 | -149.3 | -86.9 | 22.8 | 0 | 0 | 0 | 116.2 | P1231 | D269-P1231 CarbonylContact C-O 3.28Å; D269-P1231 VanDerWaalsContact C-O 3.28Å; D269-P1231 VanDerWaalsContact CA-O 3.3Å; D269-P1231 WeakPolarHBondContact CA-O 3.4Å; D269-P1231 WeakPolarHBondContact CB-O 3.48Å |
| 270 | H | 35.1 | Very low | 33 | Very low | 146 Ų | 146 | 119.3 Ų | 119.3 | 68% | 0.676 | 62% | 0.621 | S | S | * | * | | | trans | -142.3 | 0 | 169.8 | -110.9 | 15.9 | 0 | 0 | 0 | 110.7 | S1230 P1231 Q1232 | H270-S1230 VanDerWaalsContact CA-C 3.49Å; H270-P1231 HydrophobicContact CB-CG 3.87Å; H270-P1231 PolarHBondContact N-O 3.07Å; H270-P1231 VanDerWaalsContact N-O 3.16Å; H270-P1231 CarbonylContact O-C 3.58Å; H270-P1231 WeakPolarHBondContact O-CA 3.37Å; H270-P1231 WeakPolarHBondContact O-CB 3.35Å; H270-P1231 VanDerWaalsContact O-CD 3.32Å; H270-P1231 WeakPolarHBondContact O-CD 3.5Å; H270-P1231 WeakPolarHBondContact O-CG 3.49Å; H270-Q1232 PolarHBondContact O-N 3.08Å; H270-Q1232 VanDerWaalsContact O-N 3.13Å |
| 271 | M | 41.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | | | | 0 | 100.5 | 0 | -118.4 | -62.1 | 169.7 | 0 | 0 | 115.9 | S1230 P1231 | M271-S1230 VanDerWaalsContact CG-CB 3.4Å; M271-S1230 VanDerWaalsContact N-C 3.28Å; M271-P1231 HydrophobicContact CB-CB 4.14Å; M271-P1231 HydrophobicContact CB-CG 4.44Å |
| 272 | N | 29.5 | Very low | 32.9 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | | | trans | -178.9 | 153 | 176.4 | -89.1 | -47.5 | 0 | 0 | 0 | 105.7 | P1231 | N272-P1231 HydrophobicContact CB-CG 4.17Š|
| 273 | V | 28.8 | Very low | 33.3 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | | | trans | 57.5 | 62.6 | 177.6 | -158.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 274 | L | 27.1 | Very low | 33.7 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 73% | 0.728 | 63% | 0.634 | S | S | * | * | | | trans | -55.2 | 156.8 | 140 | -142.6 | 83.2 | 0 | 0 | 0 | 108.7 | | |
| 275 | I | 33.9 | Very low | 33.5 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 70% | 0.703 | 64% | 0.635 | S | S | * | * | | | trans | 69 | 86.5 | 167.8 | -60 | 168.8 | 0 | 0 | 0 | 111.1 | | |
| 276 | N | 29.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 121 Ų | 121 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | | | | 50.2 | 115.2 | 58.3 | -147.8 | 10.9 | 0 | 0 | 0 | 108.8 | F278 | N276-F278 WeakPolarHBondContact OD1-CE2 2.97Š|
| 277 | Q | 29 | Very low | 33.4 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 53% | 0.528 | 65% | 0.646 | S | S | . | * | | | | -169.1 | 134.3 | 72.3 | -89.9 | -171.4 | -10.3 | 0 | 0 | 113.6 | | |
| 278 | F | 26.8 | Very low | 33.1 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 55% | 0.553 | 65% | 0.65 | S | S | * | * | | | trans | 63.3 | -158.5 | 135.3 | -50.4 | 167.2 | 0 | 0 | 0 | 115.6 | N276 V280 | N276-F278 WeakPolarHBondContact OD1-CE2 2.97Å; F278-V280 HydrophobicContact CB-CG2 4.3Å; F278-V280 PolarHBondContact O-N 3.43Å |
| 279 | N | 29.2 | Very low | 33 | Very low | 72 Ų | 72 | 114.2 Ų | 114.2 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | | | trans | 59.9 | 35.7 | 179.7 | -38.3 | -2.8 | 0 | 0 | 0 | 112.4 | T284 | N279-T284 PolarHBondContact ND2-OG1 3.27Å; N279-T284 VanDerWaalsContact OD1-CA 3.24Å; N279-T284 WeakPolarHBondContact OD1-CA 3.04Å; N279-T284 PolarHBondContact OD1-N 3.07Å |
| 280 | V | 43.9 | Very low | 32.7 | Very low | 98 Ų | 98 | 119 Ų | 119 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | | | | 37.5 | 115.9 | 65.8 | 177.8 | 0 | 0 | 0 | 0 | 109 | F278 C282 | F278-V280 HydrophobicContact CB-CG2 4.3Å; F278-V280 PolarHBondContact O-N 3.43Å; V280-C282 VanDerWaalsContact C-N 3.27Å; V280-C282 CarbonylContact O-C 3.09Å; V280-C282 WeakPolarHBondContact O-CA 3.26Å; V280-C282 PolarHBondContact O-N 2.72Å |
| 281 | P | 30.9 | Very low | 32.4 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -56.9 | 82 | -152.2 | 21.5 | -34.8 | 0 | 0 | 0 | 114.5 | | |
| 282 | C | 31.1 | Very low | 31.7 | Very low | 94 Ų | 94 | 116.5 Ų | 116.5 | 64% | 0.635 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 57 | 136.6 | -152.4 | -58.8 | 0 | 0 | 0 | 0 | 114.9 | V280 | V280-C282 VanDerWaalsContact C-N 3.27Å; V280-C282 CarbonylContact O-C 3.09Å; V280-C282 WeakPolarHBondContact O-CA 3.26Å; V280-C282 PolarHBondContact O-N 2.72Å |
| 283 | K | 36.9 | Very low | 31.6 | Very low | 167 Ų | 167 | 116 Ų | 116 | 73% | 0.726 | 68% | 0.675 | S | S | * | * | | | cis | -152.9 | 138.9 | -5 | -108.6 | 157.3 | -171.7 | 169.3 | 0 | 107.6 | | |
| 284 | T | 39.9 | Very low | 31.5 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | | | | 58.2 | 89 | 90.4 | -46.7 | 0 | 0 | 0 | 0 | 110.6 | N279 | N279-T284 PolarHBondContact ND2-OG1 3.27Å; N279-T284 VanDerWaalsContact OD1-CA 3.24Å; N279-T284 WeakPolarHBondContact OD1-CA 3.04Å; N279-T284 PolarHBondContact OD1-N 3.07Å |
| 285 | V | 30.9 | Very low | 31.6 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 52% | 0.515 | 67% | 0.667 | S | S | . | * | | | | 82.7 | 160.7 | 87.6 | 162.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 286 | C | 34.2 | Very low | 31.3 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | | | trans | 82.7 | 119 | -168.3 | -58 | 0 | 0 | 0 | 0 | 113.4 | | |
| 287 | S | 34.1 | Very low | 31.2 | Very low | 109 Ų | 109 | 111.5 Ų | 111.5 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | | | cis | -154.8 | 139.6 | -3.2 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 288 | S | 29.6 | Very low | 31 | Very low | 107 Ų | 107 | 111.5 Ų | 111.5 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | | | trans | -62.3 | 151.7 | 147.1 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 289 | P | 32.6 | Very low | 30.9 | Very low | 92 Ų | 92 | 110.4 Ų | 110.4 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | | | | -155.5 | 178.1 | 66.6 | 35.1 | -11.5 | 0 | 0 | 0 | 117.4 | | |
| 290 | F | 32.1 | Very low | 30.7 | Very low | 188 Ų | 188 | 116.4 Ų | 116.4 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | | | trans | 66.6 | 149.7 | 166.2 | -53.8 | -59.4 | 0 | 0 | 0 | 116.5 | | |
| 291 | S | 29.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | cis | -155 | 163.5 | -12.5 | -116 | 0 | 0 | 0 | 0 | 111.1 | | |
| 292 | S | 26.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | | | trans | -66 | 143.4 | 162.4 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 293 | S | 26.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | | | trans | -164.3 | 154.6 | 133.3 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 294 | S | 27 | Very low | 28.8 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | trans | -100.5 | 174 | 171.8 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 295 | S | 29.2 | Very low | 28.3 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | | | trans | 55.1 | 112.8 | 142.9 | 60.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 296 | S | 27.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | | 70 | 105.6 | 125.4 | -51.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 297 | T | 26.4 | Very low | 28 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | 73.7 | 125.8 | 130.3 | 53.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 298 | S | 25 | Very low | 27.7 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | 72.8 | 137.8 | 154.8 | 73.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 299 | C | 25.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | cis | -147.4 | 149.5 | 43.6 | -93.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 300 | Y | 25.1 | Very low | 27.6 | Very low | 198 Ų | 198 | 122.7 Ų | 122.7 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | 70 | 105.2 | 144.2 | -83.2 | -110.9 | 0 | 0 | 0 | 123 | | |
| 301 | F | 23.5 | Very low | 27.4 | Very low | 176 Ų | 176 | 122 Ų | 122 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | | | | 73.6 | 124.9 | 122.4 | -91.8 | -101.9 | 0 | 0 | 0 | 123.3 | | |
| 302 | C | 24.5 | Very low | 27.3 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | trans | 85.6 | 151.7 | 135.8 | -144.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 303 | S | 28 | Very low | 27.5 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | 59.3 | 123 | 170.1 | 36.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 304 | V | 27.1 | Very low | 27.8 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | | | cis | 83.9 | 128.7 | 42.1 | 176.4 | 0 | 0 | 0 | 0 | 113 | | |
| 305 | C | 28.2 | Very low | 28 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | 67 | 147.7 | -176.3 | -63.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 306 | C | 33 | Very low | 27.8 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | | | cis | -150.3 | 159.4 | 8.1 | -153.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 307 | S | 26.7 | Very low | 28 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | -136.5 | 172.9 | 164.9 | -68 | 0 | 0 | 0 | 0 | 108.7 | | |
| 308 | C | 27 | Very low | 28 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | 75 | 142.5 | -163.2 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 309 | C | 30.2 | Very low | 28 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | cis | -145.3 | 165 | 34.4 | -78.7 | 0 | 0 | 0 | 0 | 111 | | |
| 310 | L | 31.2 | Very low | 28.4 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | | | cis | -158.6 | 173.6 | 1.6 | -122.9 | 167.6 | 0 | 0 | 0 | 111.1 | V313 | L310-V313 HydrophobicContact CD2-CG2 3.71Š|
| 311 | F | 26.5 | Very low | 28.9 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 73.7 | 107.1 | -172.3 | -75.9 | -83.7 | 0 | 0 | 0 | 114.9 | | |
| 312 | E | 29.1 | Very low | 29 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -143.3 | 106.2 | 0.4 | -158.3 | 157.6 | -157.5 | 0 | 0 | 108.3 | | |
| 313 | V | 31.3 | Very low | 29.5 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | | | | 59.1 | 107.6 | 101.5 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L310 | L310-V313 HydrophobicContact CD2-CG2 3.71Š|
| 314 | N | 32.3 | Very low | 29.7 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | | | cis | -142.4 | 147.5 | 32.6 | -94.2 | -55.5 | 0 | 0 | 0 | 115.2 | | |
| 315 | N | 30.8 | Very low | 30 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | | | trans | 21.8 | 132.6 | 139.1 | -47.7 | -32 | 0 | 0 | 0 | 119.7 | | |
| 316 | S | 25 | Very low | 30.3 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | | | cis | 64.9 | 84.6 | 15.1 | 91 | 0 | 0 | 0 | 0 | 118 | | |
| 317 | S | 32.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | | | trans | -170.3 | 115.9 | 159.9 | -83.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 318 | Y | 27 | Very low | 30.5 | Very low | 217 Ų | 217 | 128.6 Ų | 128.6 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | | | cis | 96.9 | 101.5 | 18.1 | -148.7 | -83.8 | 0 | 0 | 0 | 115.8 | | |
| 319 | S | 25.1 | Very low | 31.1 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | | | trans | 61 | 177.7 | 166 | 75.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 320 | H | 32.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 67% | 0.667 | 67% | 0.671 | S | S | * | * | | | cis | -160.3 | 168.8 | -0.7 | -144.6 | 2.3 | 0 | 0 | 0 | 105.8 | Q322 | H320-Q322 PolarHBondContact CE1-OE1 3.15Š|
| 321 | I | 35.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | | | cis | -140 | 145 | 7.8 | -70.8 | 175.6 | 0 | 0 | 0 | 104.5 | | |
| 322 | Q | 26.9 | Very low | 32 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | | | cis | 84.7 | 73.1 | 27.8 | -148.7 | 179.9 | 3.3 | 0 | 0 | 117.2 | H320 | H320-Q322 PolarHBondContact CE1-OE1 3.15Š|
| 323 | H | 35 | Very low | 32.2 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | | | trans | -131.5 | 127.4 | 155.4 | -99.9 | -95.9 | 0 | 0 | 0 | 108.4 | | |
| 324 | L | 32.2 | Very low | 32.2 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | | | cis | 64.5 | 116.8 | 49.2 | -52 | 162.6 | 0 | 0 | 0 | 109.4 | | |
| 325 | H | 32.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | cis | -159.2 | 162.5 | 16.4 | -89.3 | -61 | 0 | 0 | 0 | 108.1 | | |
| 326 | D | 35.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | | | cis | -162.8 | 176.2 | -5.7 | -126 | 11.4 | 0 | 0 | 0 | 114.2 | | |
| 327 | L | 31.6 | Very low | 32.3 | Very low | 102 Ų | 102 | 138 Ų | 138 | 53% | 0.534 | 72% | 0.717 | S | S | . | * | | | trans | 49.6 | 100.9 | 145 | -67.5 | 165.5 | 0 | 0 | 0 | 122.2 | H704 | L327-H704 VanDerWaalsContact CD2-CD2 3.42Å; L327-H704 WeakPolarHBondContact CD2-CD2 3.35Å |
| 328 | L | 30.9 | Very low | 32.3 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 46% | 0.461 | 71% | 0.714 | S | S | . | * | | | | 90.7 | 152.4 | 130 | -55.6 | -173.4 | 0 | 0 | 0 | 121.4 | H704 H705 | L328-H704 HydrophobicContact CD2-CB 3.52Å; L328-H704 VanDerWaalsContact CD2-O 3.3Å; L328-H704 WeakPolarHBondContact CD2-O 3.49Å; L328-H705 HydrophobicContact CD1-CB 3.73Å; L328-H705 VanDerWaalsContact CD1-CG 3.49Å; L328-H705 HydrophobicContact CD2-CB 3.71Å; L328-H705 HydrophobicContact CG-CB 4.28Å |
| 329 | P | 40 | Very low | 32.6 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | | | trans | -133.4 | -155.1 | -143.3 | 48.7 | -31.3 | 0 | 0 | 0 | 112.3 | | |
| 330 | P | 40.5 | Very low | 33.2 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | | | cis | -133.3 | 154.5 | -13.6 | 37.7 | -21.3 | 0 | 0 | 0 | 116.1 | | |
| 331 | A | 33.4 | Very low | 33.2 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | | | trans | -161.2 | 117.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 332 | K | 33.7 | Very low | 33.3 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | | | trans | 44.5 | 104.2 | 136.9 | -60.8 | 173.8 | -177.5 | 171 | 0 | 122.2 | | |
| 333 | R | 33 | Very low | 33.7 | Very low | 234 Ų | 234 | 130.8 Ų | 130.8 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | | | | 71.4 | 115.8 | 120.4 | -68.2 | -175.9 | -178.6 | 174.1 | 0.3 | 123.1 | | |
| 334 | V | 31.9 | Very low | 33.6 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 76% | 0.758 | 72% | 0.716 | S | S | * | * | | | | 85.4 | 133.6 | 121.2 | 173.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 335 | C | 29.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | | | trans | 70.9 | 149.6 | 172.3 | -75.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 336 | R | 32.2 | Very low | 33.8 | Very low | 241 Ų | 241 | 128.4 Ų | 128.4 | 91% | 0.909 | 72% | 0.723 | S | S | * | * | | | cis | -151.3 | 167 | 15 | -135.5 | 167.4 | -172.5 | 169.8 | -0.7 | 111.1 | | |
| 337 | S | 28.4 | Very low | 33.7 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | trans | -118.9 | 147.6 | -173.4 | -40.5 | 0 | 0 | 0 | 0 | 114 | | |
| 338 | T | 32.6 | Very low | 33.8 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | 179.7 | 153.3 | 161.1 | 31.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 339 | S | 33.1 | Very low | 33.9 | Very low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | cis | -173.9 | 171.6 | -12.2 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 340 | S | 36.3 | Very low | 33.5 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | 67.5 | 133.9 | 166.2 | 25.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 341 | S | 33.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | cis | 76.4 | 131.6 | 26.4 | -155.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 342 | S | 36.6 | Very low | 33 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | | | cis | -168.3 | 167.7 | 5.3 | 21 | 0 | 0 | 0 | 0 | 109.4 | | |
| 343 | D | 35 | Very low | 32.7 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | -140.5 | 162.7 | 158.5 | -138.7 | -27.5 | 0 | 0 | 0 | 112.8 | | |
| 344 | I | 34.3 | Very low | 32.4 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | trans | -145.9 | 133.1 | -154.9 | -37 | 174.6 | 0 | 0 | 0 | 111.5 | | |
| 345 | H | 34.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | | | | 164.1 | 149.5 | 117.1 | -94 | 95.7 | 0 | 0 | 0 | 115.5 | | |
| 346 | S | 32.8 | Very low | 32.1 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | | | trans | 64 | 128.1 | 161.8 | -64.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 347 | Q | 34.2 | Very low | 32.1 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | cis | -165.6 | 160.4 | 2.9 | -123 | 169 | 84.5 | 0 | 0 | 109 | | |
| 348 | T | 34.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | cis | -134.8 | -77.6 | 3.9 | -43.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 349 | S | 33.5 | Very low | 32.4 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -178.8 | 169.9 | -163.4 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 350 | S | 30.1 | Very low | 32.2 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 57% | 0.566 | 73% | 0.734 | S | S | * | * | | | cis | 177.8 | 154.2 | -31.5 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 351 | Y | 32 | Very low | 31.7 | Very low | 223 Ų | 223 | 136.2 Ų | 136.2 | 88% | 0.875 | 74% | 0.737 | S | S | * | * | | | trans | 63.9 | 133.7 | 171.4 | -52.9 | -71.7 | 0 | 0 | 0 | 117.5 | | |
| 352 | G | 31.4 | Very low | 31.5 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | | | cis | 179.1 | 153.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 353 | Y | 28.2 | Very low | 31 | Very low | 225 Ų | 225 | 140.6 Ų | 140.6 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | | | trans | 49.8 | 86.9 | 158.6 | -69.6 | -84 | 0 | 0 | 0 | 120.6 | | |
| 354 | S | 26.1 | Very low | 30.7 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | | 28.2 | 124 | 110 | -175.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 355 | C | 29.2 | Very low | 30.4 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | | -166.5 | 108.7 | 115.3 | -101.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 356 | R | 26.5 | Very low | 30.2 | Very low | 197 Ų | 197 | 134.3 Ų | 134.3 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | 62.4 | 155.5 | 146.9 | -54.2 | -177 | 176.3 | -127.4 | -3.8 | 118.2 | | |
| 357 | P | 31.5 | Very low | 30 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | | -127.1 | 172.6 | 82.4 | 41.9 | -30.7 | 0 | 0 | 0 | 110.9 | | |
| 358 | F | 29.9 | Very low | 29.9 | Very low | 162 Ų | 162 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | cis | 58.7 | 142.9 | 42.2 | -75.7 | -69.1 | 0 | 0 | 0 | 111.8 | | |
| 359 | P | 38.3 | Very low | 29.7 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | | | cis | -149.2 | -172.2 | 49.9 | 43.4 | -23.5 | 0 | 0 | 0 | 116.1 | | |
| 360 | F | 27.7 | Very low | 29.5 | Very low | 206 Ų | 206 | 133.6 Ų | 133.6 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | | | | -148 | 84.9 | 127.9 | -114.8 | -68.5 | 0 | 0 | 0 | 110 | | |
| 361 | I | 26.4 | Very low | 29.4 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -140.2 | 111.7 | 157.9 | -59.5 | 178.5 | 0 | 0 | 0 | 104.3 | | |
| 362 | M | 29.9 | Very low | 29.2 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | trans | -158.4 | 108.1 | 172.2 | -129 | -179 | 76.4 | 0 | 0 | 113.9 | | |
| 363 | S | 26.4 | Very low | 29.1 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -171.2 | 128.2 | 149.8 | -175.3 | 0 | 0 | 0 | 0 | 106 | | |
| 364 | S | 28.7 | Very low | 29.5 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | S | Bend | cis | -153.7 | 168.6 | -14 | 55.1 | 0 | 0 | 0 | 0 | 107 | | |
| 365 | C | 27.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | cis | -123.7 | -179.2 | 4.1 | -112.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 366 | S | 30.1 | Very low | 30 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | cis | 65.6 | 130.4 | 48.6 | -34 | 0 | 0 | 0 | 0 | 114.7 | | |
| 367 | C | 28.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | cis | -163.7 | 150.9 | -8.9 | -113.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 368 | S | 31.6 | Very low | 30 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | 66.1 | 169.1 | 147.8 | -55.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 369 | S | 30.1 | Very low | 30.2 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | trans | -125 | 137.8 | -158.2 | -55.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 370 | S | 30.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | 72.9 | 152.8 | 142.2 | -150.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 371 | S | 26.8 | Very low | 29.8 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | trans | 60.7 | 82 | 159.9 | 51.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 372 | H | 28.7 | Very low | 30.1 | Very low | 194 Ų | 194 | 121.4 Ų | 121.4 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | | -144.9 | 144.1 | 111 | -122.4 | -77.6 | 0 | 0 | 0 | 113.1 | | |
| 373 | I | 28 | Very low | 30 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | trans | -138.7 | 152.2 | -167.2 | -70.8 | 171.5 | 0 | 0 | 0 | 106 | | |
| 374 | P | 37.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | cis | -121.2 | -149.1 | -22.1 | 33.1 | -10.3 | 0 | 0 | 0 | 110.2 | | |
| 375 | P | 29.5 | Very low | 30.2 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | | -131 | 134 | 69.1 | 35.2 | -20.9 | 0 | 0 | 0 | 115.4 | | |
| 376 | Q | 36 | Very low | 30.2 | Very low | 164 Ų | 164 | 129 Ų | 129 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | -74.5 | 148.6 | 147.4 | -71.2 | -177.6 | -16.1 | 0 | 0 | 108.1 | | |
| 377 | P | 33.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | | -118.3 | 146.2 | 97 | -5.2 | 25.5 | 0 | 0 | 0 | 111 | | |
| 378 | S | 24.7 | Very low | 30.2 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | cis | 63.3 | 94.8 | 38.6 | 82 | 0 | 0 | 0 | 0 | 114.8 | | |
| 379 | S | 33.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | | 175.8 | 120.3 | 125.7 | 43.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 380 | V | 28.7 | Very low | 29.8 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | | 58.3 | 137.9 | 125.8 | -175.1 | 0 | 0 | 0 | 0 | 122 | | |
| 381 | S | 29.5 | Very low | 29.8 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | 71.5 | 138.7 | 164.1 | -76.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 382 | S | 33.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | cis | -130.1 | 145.2 | 2.6 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 383 | Y | 27.7 | Very low | 30 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | cis | 79.1 | 59.8 | 18.9 | -121.5 | -92.5 | 0 | 0 | 0 | 117.4 | H385 | Y383-H385 HydrophobicContact CD1-CB 3.8Å; Y383-H385 AromaticContact CD1-CG 3.99Å; Y383-H385 AromaticContact CD1-ND1 4Å; Y383-H385 HydrophobicContact CE1-CB 3.84Å; Y383-H385 AromaticContact CE1-CE1 3.63Å; Y383-H385 AromaticContact CE1-CG 3.49Å; Y383-H385 VanDerWaalsContact CE1-CG 3.49Å; Y383-H385 AromaticContact CE1-ND1 3.11Å; Y383-H385 WeakPolarHBondContact CE1-ND1 3.3Å; Y383-H385 AromaticContact CZ-CE1 3.86Å; Y383-H385 AromaticContact CZ-ND1 3.39Å; Y383-H385 PolarHBondContact OH-CE1 3.36Å; Y383-H385 PolarHBondContact OH-ND1 3.28Å |
| 384 | R | 27.3 | Very low | 30.1 | Very low | 248 Ų | 248 | 135 Ų | 135 | 94% | 0.936 | 75% | 0.751 | S | S | * | * | | | | -122.1 | 121.1 | 125.1 | -68.3 | -170.3 | -176 | -161.5 | 2.9 | 106 | | |
| 385 | H | 30.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 48% | 0.481 | 75% | 0.753 | S | S | . | * | | | cis | 65.9 | 86 | 23.2 | -138.3 | 84 | 0 | 0 | 0 | 113 | Y383 H387 | Y383-H385 HydrophobicContact CD1-CB 3.8Å; Y383-H385 AromaticContact CD1-CG 3.99Å; Y383-H385 AromaticContact CD1-ND1 4Å; Y383-H385 HydrophobicContact CE1-CB 3.84Å; Y383-H385 AromaticContact CE1-CE1 3.63Å; Y383-H385 AromaticContact CE1-CG 3.49Å; Y383-H385 VanDerWaalsContact CE1-CG 3.49Å; Y383-H385 AromaticContact CE1-ND1 3.11Å; Y383-H385 WeakPolarHBondContact CE1-ND1 3.3Å; Y383-H385 AromaticContact CZ-CE1 3.86Å; Y383-H385 AromaticContact CZ-ND1 3.39Å; Y383-H385 PolarHBondContact OH-CE1 3.36Å; Y383-H385 PolarHBondContact OH-ND1 3.28Å; H385-H387 AromaticContact CE1-CD2 3.28Å; H385-H387 PolarHBondContact CE1-CD2 2.98Å; H385-H387 AromaticContact CE1-CG 3.97Å; H385-H387 AromaticContact ND1-CD2 3.89Å; H385-H387 AromaticContact NE2-CD2 3.62Å; H385-H387 AromaticContact NE2-CG 3.84Å |
| 386 | C | 29 | Very low | 29.6 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 92% | 0.919 | 75% | 0.749 | S | S | * | * | | | trans | -120.9 | 80.5 | 150.8 | -163.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 387 | H | 28.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 61% | 0.606 | 75% | 0.752 | S | S | * | * | | | trans | -78.7 | 152.8 | 174.7 | -124.6 | -97.4 | 0 | 0 | 0 | 110.1 | H385 | H385-H387 AromaticContact CE1-CD2 3.28Å; H385-H387 PolarHBondContact CE1-CD2 2.98Å; H385-H387 AromaticContact CE1-CG 3.97Å; H385-H387 AromaticContact ND1-CD2 3.89Å; H385-H387 AromaticContact NE2-CD2 3.62Å; H385-H387 AromaticContact NE2-CG 3.84Å |
| 388 | K | 29 | Very low | 28.9 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | trans | 54.6 | 93.3 | 162.4 | -65.8 | -179.3 | 175.3 | -178.6 | 0 | 117.6 | | |
| 389 | C | 28.6 | Very low | 29.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 86% | 0.858 | 76% | 0.762 | S | S | * | * | | | | -145.8 | 134.8 | 104.6 | -90.7 | 0 | 0 | 0 | 0 | 105.9 | | |
| 390 | N | 24.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | cis | 57.2 | 77.5 | 9.2 | -149.4 | 96.8 | 0 | 0 | 0 | 114.7 | | |
| 391 | N | 29.7 | Very low | 29.2 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | | -156.6 | 153 | 109.5 | -90.9 | -10.5 | 0 | 0 | 0 | 110.8 | | |
| 392 | N | 26.9 | Very low | 29.8 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -22.1 | 132.5 | 172.5 | -45.7 | -16.8 | 0 | 0 | 0 | 116.8 | | |
| 393 | D | 32.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | | | | -143.3 | 160 | 102.6 | -111.4 | -33.7 | 0 | 0 | 0 | 110.4 | | |
| 394 | S | 31.6 | Very low | 30.8 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | trans | -117.1 | 166.9 | -158.9 | -161.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 395 | N | 27.1 | Very low | 31.6 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | | | trans | 72.2 | 121.1 | 165.7 | -52.9 | -11.3 | 0 | 0 | 0 | 114.2 | | |
| 396 | N | 28.9 | Very low | 32.4 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | | | cis | -155.3 | 158.4 | 32.4 | -90.9 | -44.5 | 0 | 0 | 0 | 114.2 | | |
| 397 | N | 27.5 | Very low | 33.6 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | | | trans | 55.6 | 67.5 | 146.7 | -60.1 | -13.1 | 0 | 0 | 0 | 119.3 | N399 | N397-N399 PolarHBondContact O-N 3.14Š|
| 398 | N | 26.5 | Very low | 34.9 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | | | trans | -81 | 107.9 | 160 | -122.7 | -26.8 | 0 | 0 | 0 | 110.6 | | |
| 399 | N | 28.1 | Very low | 36.5 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 86% | 0.856 | 69% | 0.692 | S | S | * | * | | | trans | -157.5 | 28 | 158.9 | -128.3 | -9.5 | 0 | 0 | 0 | 115.9 | N397 | N397-N399 PolarHBondContact O-N 3.14Š|
| 400 | Q | 31.4 | Very low | 38 | Very low | 166 Ų | 166 | 123 Ų | 123 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -136.7 | 31.4 | 176.9 | -70.4 | -161.5 | -3.5 | 0 | 0 | 115 | S403 | Q400-S403 PolarHBondContact O-OG 2.63Š|
| 401 | H | 34.7 | Very low | 39.8 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -105.5 | -11.3 | -179.8 | -85.3 | -63.2 | 0 | 0 | 0 | 117.1 | | |
| 402 | S | 41.5 | Very low | 41.2 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.2 | -23.9 | 173.7 | -52.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 403 | S | 40.5 | Very low | 42.2 | Very low | 64 Ų | 64 | 119.2 Ų | 119.2 | 45% | 0.448 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.3 | -39.7 | -178.7 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | Q400 A405 M406 L407 | Q400-S403 PolarHBondContact O-OG 2.63Å; S403-A405 PolarHBondContact O-N 3.24Å; S403-M406 PolarHBondContact O-N 2.7Å; S403-L407 WeakPolarHBondContact O-CB 3.49Å; S403-L407 PolarHBondContact O-N 3.36Å |
| 404 | A | 42.3 | Very low | 43.5 | Very low | 50 Ų | 50 | 116.8 Ų | 116.8 | 41% | 0.413 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.5 | -35.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K408 | A404-K408 PolarHBondContact O-N 3.08Å |
| 405 | A | 44.4 | Very low | 44.7 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.6 | -47.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S403 L407 K408 T409 | S403-A405 PolarHBondContact O-N 3.24Å; A405-L407 VanDerWaalsContact C-N 3.33Å; A405-L407 PolarHBondContact O-N 3.4Å; A405-K408 PolarHBondContact O-N 2.67Å; A405-K408 VanDerWaalsContact O-N 3.15Å; A405-T409 PolarHBondContact O-N 3Å; A405-T409 VanDerWaalsContact O-N 3.08Å; A405-T409 PolarHBondContact O-OG1 2.9Å |
| 406 | M | 45.8 | Very low | 46.3 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.8 | -37.4 | 178.8 | -167 | 173.2 | -177.3 | 0 | 0 | 112.4 | S403 T409 M410 | S403-M406 PolarHBondContact O-N 2.7Å; M406-T409 PolarHBondContact O-N 3.17Å; M406-M410 WeakPolarHBondContact O-CB 3.16Å; M406-M410 WeakPolarHBondContact O-CG 3.22Å; M406-M410 PolarHBondContact O-N 3.2Å |
| 407 | L | 54.3 | Low | 47.4 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 54% | 0.539 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.7 | -39.9 | 173.2 | -105.7 | 125.7 | 0 | 0 | 0 | 112.8 | S403 A405 M410 Q411 | S403-L407 WeakPolarHBondContact O-CB 3.49Å; S403-L407 PolarHBondContact O-N 3.36Å; A405-L407 VanDerWaalsContact C-N 3.33Å; A405-L407 PolarHBondContact O-N 3.4Å; L407-M410 PolarHBondContact O-N 2.73Å; L407-Q411 WeakPolarHBondContact O-CB 3.46Å; L407-Q411 WeakPolarHBondContact O-CG 3.18Å; L407-Q411 PolarHBondContact O-N 3.33Å |
| 408 | K | 56.2 | Low | 48.2 | Very low | 159 Ų | 159 | 116.5 Ų | 116.5 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.4 | -43.6 | 174.1 | -76.3 | -176.4 | 176.5 | -178.5 | 0 | 111.4 | A404 A405 Q411 S412 | A404-K408 PolarHBondContact O-N 3.08Å; A405-K408 PolarHBondContact O-N 2.67Å; A405-K408 VanDerWaalsContact O-N 3.15Å; K408-Q411 PolarHBondContact O-N 3.16Å; K408-S412 PolarHBondContact O-N 2.89Å; K408-S412 PolarHBondContact O-OG 2.84Å |
| 409 | T | 63.3 | Low | 48.6 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 177.2 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | A405 M406 S412 Y413 | A405-T409 PolarHBondContact O-N 3Å; A405-T409 VanDerWaalsContact O-N 3.08Å; A405-T409 PolarHBondContact O-OG1 2.9Å; M406-T409 PolarHBondContact O-N 3.17Å; T409-S412 WeakPolarHBondContact CA-OG 3.34Å; T409-S412 PolarHBondContact O-N 2.97Å; T409-S412 PolarHBondContact O-OG 3.32Å; T409-Y413 PolarHBondContact O-N 3.1Å |
| 410 | M | 60.9 | Low | 49.1 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 50% | 0.498 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.8 | -37.2 | 172.4 | -76 | -173.4 | 69.8 | 0 | 0 | 112.4 | M406 L407 Y413 M414 | M406-M410 WeakPolarHBondContact O-CB 3.16Å; M406-M410 WeakPolarHBondContact O-CG 3.22Å; M406-M410 PolarHBondContact O-N 3.2Å; L407-M410 PolarHBondContact O-N 2.73Å; M410-Y413 PolarHBondContact O-N 3.13Å; M410-M414 HydrophobicContact CE-CE 4.46Å; M410-M414 WeakPolarHBondContact O-CB 3.24Å; M410-M414 VanDerWaalsContact O-CG 3.26Å; M410-M414 WeakPolarHBondContact O-CG 3.22Å; M410-M414 PolarHBondContact O-N 3.15Å |
| 411 | Q | 60.8 | Low | 49.2 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 48% | 0.477 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.8 | -32.7 | 174.4 | -79.5 | -174 | -1.5 | 0 | 0 | 113.1 | L407 K408 R415 | L407-Q411 WeakPolarHBondContact O-CB 3.46Å; L407-Q411 WeakPolarHBondContact O-CG 3.18Å; L407-Q411 PolarHBondContact O-N 3.33Å; K408-Q411 PolarHBondContact O-N 3.16Å; Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.38Å; Q411-R415 PolarHBondContact O-N 3.24Å |
| 412 | S | 60.6 | Low | 49 | Very low | 64 Ų | 64 | 116.2 Ų | 116.2 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.8 | -44.7 | 167.7 | 36.1 | 0 | 0 | 0 | 0 | 111.8 | K408 T409 M414 R415 T416 | K408-S412 PolarHBondContact O-N 2.89Å; K408-S412 PolarHBondContact O-OG 2.84Å; T409-S412 WeakPolarHBondContact CA-OG 3.34Å; T409-S412 PolarHBondContact O-N 2.97Å; T409-S412 PolarHBondContact O-OG 3.32Å; S412-M414 PolarHBondContact O-N 3.12Å; S412-R415 WeakPolarHBondContact O-CB 3.33Å; S412-R415 PolarHBondContact O-N 3.33Å; S412-R415 VanDerWaalsContact O-N 3.12Å; S412-T416 PolarHBondContact O-N 3.46Å; S412-T416 PolarHBondContact O-OG1 2.8Å |
| 413 | Y | 48 | Very low | 48.3 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.7 | -40.2 | -178 | -154.8 | -95.2 | 0 | 0 | 0 | 112.6 | T409 M410 R415 T416 L417 | T409-Y413 PolarHBondContact O-N 3.1Å; M410-Y413 PolarHBondContact O-N 3.13Å; Y413-R415 VanDerWaalsContact C-N 3.28Å; Y413-R415 PolarHBondContact O-N 3.41Å; Y413-T416 WeakPolarHBondContact CA-OG1 3.3Å; Y413-T416 PolarHBondContact O-N 3.23Å; Y413-T416 VanDerWaalsContact O-N 3.13Å; Y413-T416 PolarHBondContact O-OG1 3.04Å; Y413-L417 HydrophobicContact CE1-CD2 4.39Å; Y413-L417 PolarHBondContact O-N 3.35Å |
| 414 | M | 59.9 | Low | 47.9 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.6 | -26.2 | 174 | -70.6 | -69.2 | -176.9 | 0 | 0 | 113.1 | M410 S412 T416 L417 | M410-M414 HydrophobicContact CE-CE 4.46Å; M410-M414 WeakPolarHBondContact O-CB 3.24Å; M410-M414 VanDerWaalsContact O-CG 3.26Å; M410-M414 WeakPolarHBondContact O-CG 3.22Å; M410-M414 PolarHBondContact O-N 3.15Å; S412-M414 PolarHBondContact O-N 3.12Å; M414-T416 VanDerWaalsContact C-N 3.34Å; M414-L417 HydrophobicContact SD-CD1 3.83Å |
| 415 | R | 55.7 | Low | 47.4 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.6 | -21.3 | 172.1 | -78.7 | 174.5 | 175.9 | 126.6 | -2.2 | 113.1 | Q411 S412 Y413 | Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.38Å; Q411-R415 PolarHBondContact O-N 3.24Å; S412-R415 WeakPolarHBondContact O-CB 3.33Å; S412-R415 PolarHBondContact O-N 3.33Å; S412-R415 VanDerWaalsContact O-N 3.12Å; Y413-R415 VanDerWaalsContact C-N 3.28Å; Y413-R415 PolarHBondContact O-N 3.41Å |
| 416 | T | 60.3 | Low | 46.6 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 64% | 0.644 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -94.7 | -4.2 | 177.8 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | S412 Y413 M414 | S412-T416 PolarHBondContact O-N 3.46Å; S412-T416 PolarHBondContact O-OG1 2.8Å; Y413-T416 WeakPolarHBondContact CA-OG1 3.3Å; Y413-T416 PolarHBondContact O-N 3.23Å; Y413-T416 VanDerWaalsContact O-N 3.13Å; Y413-T416 PolarHBondContact O-OG1 3.04Å; M414-T416 VanDerWaalsContact C-N 3.34Å |
| 417 | L | 52.4 | Low | 46 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 47% | 0.466 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -76.4 | 136 | 172.5 | -69.5 | 176.9 | 0 | 0 | 0 | 110.8 | Y413 M414 R419 | Y413-L417 HydrophobicContact CE1-CD2 4.39Å; Y413-L417 PolarHBondContact O-N 3.35Å; M414-L417 HydrophobicContact SD-CD1 3.83Å; L417-R419 PolarHBondContact O-N 3.44Å |
| 418 | P | 43.9 | Very low | 44.8 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 131.4 | 169.8 | -23.7 | 33.8 | 0 | 0 | 0 | 110.6 | | |
| 419 | R | 36.4 | Very low | 43.7 | Very low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 135 | 175.8 | -68.9 | -174.1 | 178.6 | -167.8 | 0.6 | 109.4 | L417 I421 | L417-R419 PolarHBondContact O-N 3.44Å; R419-I421 PolarHBondContact O-N 3.29Å; R419-I421 VanDerWaalsContact O-N 3.17Å |
| 420 | P | 38 | Very low | 42.2 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 122 | 175.1 | 25.3 | -33.2 | 0 | 0 | 0 | 109.4 | A422 | P420-A422 PolarHBondContact O-N 3.37Å; P420-A422 VanDerWaalsContact O-N 3.15Å |
| 421 | I | 34.4 | Very low | 40.5 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | trans | -69.9 | 111.7 | 178.3 | -61.3 | 174.5 | 0 | 0 | 0 | 107.7 | R419 V423 | R419-I421 PolarHBondContact O-N 3.29Å; R419-I421 VanDerWaalsContact O-N 3.17Å; I421-V423 PolarHBondContact O-N 3.29Å |
| 422 | A | 29.3 | Very low | 39 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -67 | 103.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | P420 R424 | P420-A422 PolarHBondContact O-N 3.37Å; P420-A422 VanDerWaalsContact O-N 3.15Å; A422-R424 PolarHBondContact O-N 3.28Å |
| 423 | V | 27.4 | Very low | 37.4 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | -68.7 | 98.3 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 109 | I421 L425 | I421-V423 PolarHBondContact O-N 3.29Å; V423-L425 PolarHBondContact O-N 3.49Å |
| 424 | R | 31.7 | Very low | 36.6 | Very low | 205 Ų | 205 | 149 Ų | 149 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 125.8 | 161.2 | -91.5 | -170.3 | 163.9 | 96.9 | -1.6 | 108.6 | A422 D426 | A422-R424 PolarHBondContact O-N 3.28Å; R424-D426 VanDerWaalsContact C-N 3.25Å; R424-D426 PolarHBondContact O-N 2.98Å; R424-D426 VanDerWaalsContact O-N 3.1Å |
| 425 | L | 31.4 | Very low | 35.6 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | -82 | 73 | 168.4 | -73.5 | 171.2 | 0 | 0 | 0 | 109.5 | V423 S427 | V423-L425 PolarHBondContact O-N 3.49Å; L425-S427 PolarHBondContact O-N 3.21Å |
| 426 | D | 28.4 | Very low | 34.3 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -75.7 | 71.8 | 175.3 | -72 | -35.8 | 0 | 0 | 0 | 110.9 | R424 K428 | R424-D426 VanDerWaalsContact C-N 3.25Å; R424-D426 PolarHBondContact O-N 2.98Å; R424-D426 VanDerWaalsContact O-N 3.1Å; D426-K428 VanDerWaalsContact C-N 3.26Å; D426-K428 PolarHBondContact O-N 2.86Å |
| 427 | S | 32.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -75.6 | 69.9 | 178.7 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | L425 I429 | L425-S427 PolarHBondContact O-N 3.21Å; S427-I429 VanDerWaalsContact C-N 3.34Å; S427-I429 PolarHBondContact O-N 3.5Å |
| 428 | K | 29.7 | Very low | 31.5 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | -73.4 | 81.6 | 169 | -88.2 | -171.4 | 173.8 | 179.3 | 0 | 111.5 | D426 | D426-K428 VanDerWaalsContact C-N 3.26Å; D426-K428 PolarHBondContact O-N 2.86Å |
| 429 | I | 33 | Very low | 30.9 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | | | trans | -140.2 | 126.8 | 167.5 | -65.9 | -175.3 | 0 | 0 | 0 | 107.9 | S427 | S427-I429 VanDerWaalsContact C-N 3.34Å; S427-I429 PolarHBondContact O-N 3.5Å |
| 430 | V | 31.7 | Very low | 30.5 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | cis | -154.6 | 157.2 | -11.1 | 115.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 431 | Y | 25.1 | Very low | 29.9 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -64 | 134.5 | 168.2 | -89.1 | -104 | 0 | 0 | 0 | 111.6 | | |
| 432 | N | 28.7 | Very low | 29.7 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | | -161.4 | 145 | 105.3 | -121.2 | -40.3 | 0 | 0 | 0 | 114.7 | | |
| 433 | E | 28.5 | Very low | 29.6 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | | | trans | -73.5 | 159.7 | 169.7 | -55 | 179.9 | 116.9 | 0 | 0 | 111 | | |
| 434 | K | 31.2 | Very low | 29.6 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -158 | 152.7 | 149.8 | -116.5 | 163.1 | -172.1 | 176.6 | 0 | 112.5 | | |
| 435 | S | 37.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 57.3 | 85.7 | 170.2 | 35.7 | 0 | 0 | 0 | 0 | 117 | | |
| 436 | K | 28.8 | Very low | 29.3 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -79.3 | 128.5 | 156.6 | -66.7 | 170.6 | -179.8 | 166.6 | 0 | 109.6 | | |
| 437 | S | 28 | Very low | 29.5 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -166.2 | 103.1 | 159.2 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 438 | C | 25.6 | Very low | 29.2 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | | 89.4 | 53.3 | 60.2 | -65.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 439 | T | 32.9 | Very low | 29.5 | Very low | 141 Ų | 141 | 147 Ų | 147 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | -159 | 147.6 | 147.1 | 39.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 440 | N | 27.6 | Very low | 29.2 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | -146.3 | 169.6 | -25.3 | -171.2 | 32.1 | 0 | 0 | 0 | 108.7 | | |
| 441 | M | 25.4 | Very low | 29.4 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -77.1 | -175.2 | 167 | -75.7 | 175.3 | 53.9 | 0 | 0 | 112.5 | | |
| 442 | D | 30.6 | Very low | 29.8 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 92.3 | 115.2 | -179.7 | -56.4 | -21.5 | 0 | 0 | 0 | 113.4 | | |
| 443 | N | 26 | Very low | 29.8 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | cis | 71.5 | 127 | 19.6 | -139 | 8.7 | 0 | 0 | 0 | 114 | | |
| 444 | V | 27.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | trans | 84.1 | 137.4 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 445 | K | 31.3 | Very low | 30.3 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | 73.7 | 133.5 | 177.6 | -72.2 | 150.8 | -173.9 | 173.7 | 0 | 116.2 | | |
| 446 | L | 25.8 | Very low | 30.1 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | cis | 69.5 | 61.9 | 27.4 | -62.3 | 169.4 | 0 | 0 | 0 | 116 | | |
| 447 | L | 33.2 | Very low | 30.3 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | | | trans | -133.1 | 124.5 | 136.9 | -71.1 | 170.7 | 0 | 0 | 0 | 104.5 | | |
| 448 | N | 24.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | cis | 71.3 | 133.1 | 35.6 | -157.9 | 39.5 | 0 | 0 | 0 | 113.6 | | |
| 449 | S | 36.6 | Very low | 31 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | 64 | 124.2 | -166.5 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 450 | N | 27.4 | Very low | 31.1 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | cis | 64.8 | 162.7 | 26.8 | -139.8 | 46.4 | 0 | 0 | 0 | 113.2 | | |
| 451 | D | 35.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | | | trans | 74.7 | 138.3 | -171.5 | -49.9 | -17.1 | 0 | 0 | 0 | 113.5 | | |
| 452 | N | 34.3 | Very low | 31.5 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | cis | -143.4 | 126.3 | -6.8 | -104.1 | -45.8 | 0 | 0 | 0 | 107.3 | | |
| 453 | N | 27.2 | Very low | 31.2 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | | | | 84.6 | 103.8 | 69.9 | -177.2 | 13.6 | 0 | 0 | 0 | 113.8 | | |
| 454 | T | 38.1 | Very low | 31.3 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -158.1 | 115.9 | 146.1 | -5.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 455 | N | 32.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 39.7 | 121.8 | 141.5 | -60.1 | -1.6 | 0 | 0 | 0 | 119.4 | | |
| 456 | N | 34.4 | Very low | 31.3 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | | | cis | -146.9 | 155.1 | 9.4 | -71.2 | -48.4 | 0 | 0 | 0 | 110.4 | | |
| 457 | G | 32.6 | Very low | 31.5 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | cis | 152 | 127.2 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 458 | G | 32.4 | Very low | 31.5 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | | | trans | 78.2 | 145.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 459 | G | 34.3 | Very low | 31.9 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | | | cis | 167 | 164 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 460 | T | 35.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 53.9 | 122.1 | 161.3 | 53 | 0 | 0 | 0 | 0 | 119.7 | | |
| 461 | L | 31 | Very low | 31.8 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | | | | 45.4 | 114 | 127.4 | -50.9 | 170.5 | 0 | 0 | 0 | 116.5 | | |
| 462 | R | 30.1 | Very low | 31.8 | Very low | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | | | | -159.5 | 141.8 | 52 | -119.4 | -179.8 | -179 | -163.9 | -0.2 | 112.1 | | |
| 463 | N | 25.7 | Very low | 31.7 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -82 | 143.3 | 150.6 | -176.6 | 26.3 | 0 | 0 | 0 | 108.7 | | |
| 464 | N | 27.7 | Very low | 31.7 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | | | trans | 59.3 | 157.9 | 168.1 | -72 | -13 | 0 | 0 | 0 | 117.1 | | |
| 465 | N | 28.8 | Very low | 31.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | | | cis | -149.4 | 161.7 | -12 | -127.9 | -22.7 | 0 | 0 | 0 | 108.5 | | |
| 466 | N | 29.6 | Very low | 31.3 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | | | trans | -174.6 | 79 | 136.1 | -99 | -4.6 | 0 | 0 | 0 | 111.9 | | |
| 467 | N | 30.4 | Very low | 30.9 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | S | Bend | | -143.8 | 93 | 123.3 | -137.3 | -8 | 0 | 0 | 0 | 110.8 | | |
| 468 | N | 33.2 | Very low | 31 | Very low | 115 Ų | 115 | 137 Ų | 137 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | | | trans | 60.2 | 108.8 | 151.4 | -59.7 | -12.1 | 0 | 0 | 0 | 121.1 | | |
| 469 | N | 32.8 | Very low | 30.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | | | | 94.9 | 94.6 | 124.7 | -60.4 | -3.7 | 0 | 0 | 0 | 120.9 | | |
| 470 | N | 31.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | | 80.7 | 102.1 | 120.6 | -59.4 | -1.8 | 0 | 0 | 0 | 119.5 | | |
| 471 | D | 31.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | trans | -47.9 | 156.1 | 161.1 | -49.4 | -99.1 | 0 | 0 | 0 | 115.5 | | |
| 472 | H | 33.8 | Very low | 30.6 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 91% | 0.912 | 74% | 0.743 | S | S | * | * | | | | -161.7 | 135.8 | 118.4 | -93.6 | -56.1 | 0 | 0 | 0 | 112.4 | | |
| 473 | G | 32.7 | Very low | 30.6 | Very low | 63 Ų | 63 | 138.3 Ų | 138.3 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | | | | 88.7 | 58 | 125.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 474 | V | 27.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | | | | 41.9 | 122.8 | 109.9 | 173.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 475 | I | 29.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | 99 | 122.1 | 144 | -95 | 168.6 | 0 | 0 | 0 | 123.3 | | |
| 476 | L | 32.6 | Very low | 31.2 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | trans | 72.7 | 158.5 | 149.1 | -66.3 | 174.8 | 0 | 0 | 0 | 124.5 | | |
| 477 | R | 25.7 | Very low | 31.3 | Very low | 232 Ų | 232 | 139.5 Ų | 139.5 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | | | trans | -99.1 | 177.2 | -174.3 | -72.5 | 173.6 | 170.2 | 173.7 | -4.3 | 111.1 | | |
| 478 | P | 34.9 | Very low | 31.3 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | | | cis | -141.9 | -172.6 | -40.4 | 40.4 | -23.2 | 0 | 0 | 0 | 114.6 | | |
| 479 | K | 29.3 | Very low | 31.1 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | trans | 77.8 | 157.2 | 157.2 | -76.6 | -171.9 | 174 | -173.4 | 0 | 117.9 | | |
| 480 | P | 34.8 | Very low | 30.9 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | | -139.8 | -169.2 | -66.4 | 36.8 | -15 | 0 | 0 | 0 | 113.7 | | |
| 481 | L | 28.2 | Very low | 30.7 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | 73.3 | 141.1 | 167.6 | -57.4 | 163.9 | 0 | 0 | 0 | 115.8 | | |
| 482 | D | 32.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | cis | -173 | 167 | -19 | -120.9 | 25.4 | 0 | 0 | 0 | 107.9 | | |
| 483 | L | 31.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | cis | -159.7 | 161.7 | -4.9 | -173.7 | 56.8 | 0 | 0 | 0 | 109.1 | | |
| 484 | N | 30 | Very low | 30.1 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | trans | 77.2 | 138.3 | 175.7 | -47.9 | -67.1 | 0 | 0 | 0 | 114.7 | | |
| 485 | S | 32.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | | | cis | -157.3 | 144.3 | 26.9 | 156.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 486 | F | 31.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | | | cis | -161.3 | 150.2 | 2.3 | -135.3 | -113 | 0 | 0 | 0 | 110.2 | | |
| 487 | N | 30.8 | Very low | 29.9 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 67% | 0.674 | 70% | 0.698 | S | S | * | * | | | trans | 59.2 | 146.3 | 158.8 | -83.6 | -9.6 | 0 | 0 | 0 | 120.5 | | |
| 488 | K | 31.6 | Very low | 30.3 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | | | cis | -161.7 | 162.9 | -17.1 | -141.8 | 178.2 | -176.8 | -171.1 | 0 | 109.4 | | |
| 489 | M | 27.7 | Very low | 29.9 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 83% | 0.828 | 70% | 0.704 | S | S | * | * | | | trans | -117.3 | 139.8 | 179.2 | -73 | 173.3 | 63.6 | 0 | 0 | 114 | | |
| 490 | N | 28.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | | | trans | 44.3 | 123.2 | 144.7 | -67.8 | 27.1 | 0 | 0 | 0 | 123.5 | | |
| 491 | N | 27.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | | | | 76.2 | 98.4 | 129.6 | -59.2 | 16.8 | 0 | 0 | 0 | 120.8 | | |
| 492 | G | 26.1 | Very low | 30.2 | Very low | 50 Ų | 50 | 137.1 Ų | 137.1 | 52% | 0.515 | 70% | 0.703 | S | S | . | * | | | | 114.9 | 124.6 | 95.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 493 | S | 27.9 | Very low | 29.8 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | | | trans | 73.4 | 139.9 | 165.7 | -23.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 494 | R | 31.3 | Very low | 29.8 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 53% | 0.528 | 71% | 0.709 | S | S | . | * | | | cis | -142.5 | -171.5 | 11.9 | -67.9 | 173.7 | 137.9 | -159 | 3.1 | 110.6 | P1120 E1121 M1123 | R494-P1120 WeakPolarHBondContact CA-O 3.42Å; R494-E1121 HydrophobicContact CB-CB 4.1Å; R494-E1121 HydrophobicContact CB-CG 3.97Å; R494-E1121 WeakPolarHBondContact CD-OE1 3.46Å; R494-E1121 HydrophobicContact CG-CB 4.28Å; R494-E1121 HydrophobicContact CG-CG 3.84Å; R494-E1121 IonicContact CZ-OE1 3.02Å; R494-E1121 IonicContact NE-OE1 3.16Å; R494-E1121 PolarHBondContact NE-OE1 2.84Å; R494-E1121 VanDerWaalsContact NE-OE1 3.16Å; R494-E1121 IonicContact NH1-OE1 2.67Å; R494-E1121 PolarHBondContact NH1-OE1 3.24Å; R494-E1121 IonicContact NH2-OE1 3.92Å; R494-M1123 PolarHBondContact NH1-SD 3.41Å |
| 495 | I | 30.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 49% | 0.492 | 71% | 0.709 | S | S | . | * | | | trans | -104 | -172.9 | -171.9 | 49.9 | 51.1 | 0 | 0 | 0 | 112.9 | E1121 | I495-E1121 HydrophobicContact CD1-CB 3.59Å; I495-E1121 HydrophobicContact CD1-CG 4.42Å; I495-E1121 WeakPolarHBondContact CD1-OE2 3.26Å; I495-E1121 HydrophobicContact CG1-CB 3.61Å |
| 496 | S | 28.8 | Very low | 29.7 | Very low | 79 Ų | 79 | 138 Ų | 138 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | | | cis | -164.3 | 179.5 | 17.3 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 497 | W | 27.1 | Very low | 29.6 | Very low | 214 Ų | 214 | 134.2 Ų | 134.2 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | | | trans | 48.5 | 96.6 | 159.5 | -54.8 | 111.8 | 0 | 0 | 0 | 118.5 | | |
| 498 | H | 33.2 | Very low | 29.8 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | | | | 168.5 | 119.1 | 103.8 | -88.1 | -69.9 | 0 | 0 | 0 | 112.1 | | |
| 499 | H | 27.5 | Very low | 29.9 | Very low | 184 Ų | 184 | 127.9 Ų | 127.9 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | | | trans | -93.5 | 166.6 | 163.2 | -86.3 | -80.9 | 0 | 0 | 0 | 110.1 | | |
| 500 | P | 35 | Very low | 29.9 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | | | cis | -133.4 | 167.5 | -23.2 | 32.9 | -15.3 | 0 | 0 | 0 | 113.5 | | |
| 501 | L | 31.9 | Very low | 30 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | | | | 166.4 | 171.1 | 123.1 | -87.7 | 169.9 | 0 | 0 | 0 | 112.4 | N503 | L501-N503 PolarHBondContact O-N 3.2Š|
| 502 | F | 29.9 | Very low | 30.1 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | | | trans | -71.2 | 119.6 | -160.6 | -75.8 | -100 | 0 | 0 | 0 | 116.7 | | |
| 503 | N | 25.4 | Very low | 30 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | | 70 | 151.9 | 117.2 | -153.4 | 14.4 | 0 | 0 | 0 | 120.8 | L501 | L501-N503 PolarHBondContact O-N 3.2Š|
| 504 | F | 31.8 | Very low | 30 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | trans | 67.2 | 141.5 | -179.2 | -51.5 | -79.1 | 0 | 0 | 0 | 116.5 | | |
| 505 | G | 26.5 | Very low | 29.8 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | cis | 154.3 | 126.5 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 506 | S | 32.1 | Very low | 29.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | | | trans | -172.8 | 145.4 | 167.2 | -79.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 507 | G | 31 | Very low | 29.5 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | cis | -173.5 | 173.1 | -5.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 508 | A | 34.4 | Very low | 29.5 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | cis | -158.2 | 168.5 | 2.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 509 | A | 33.8 | Very low | 29.1 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | 49.8 | 118 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 510 | Q | 27.4 | Very low | 29 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | | 61.8 | 137.2 | 58.1 | -53.6 | 178.4 | 4.6 | 0 | 0 | 112.4 | | |
| 511 | T | 31.9 | Very low | 28.6 | Very low | 116 Ų | 116 | 128 Ų | 128 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | cis | -153.4 | 177.4 | 41.9 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 512 | K | 29.2 | Very low | 28.3 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | cis | -156.5 | 159.3 | 5.4 | -138.2 | 159.4 | -172.2 | 176 | 0 | 110.2 | | |
| 513 | C | 22.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | -88 | 156.5 | 177.5 | -35.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 514 | S | 27.8 | Very low | 28.4 | Very low | 126 Ų | 126 | 124 Ų | 124 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | | | trans | -161.7 | 169.7 | 130.4 | -155.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 515 | N | 26.9 | Very low | 28.3 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 42% | 0.417 | 76% | 0.755 | S | S | . | * | | | trans | -95.2 | 149.3 | -165.2 | -96 | -57 | 0 | 0 | 0 | 115.3 | K136 | K136-N515 VanDerWaalsContact C-OD1 3.26Å; K136-N515 WeakPolarHBondContact CB-OD1 3.1Å; K136-N515 PolarHBondContact O-ND2 3Å; K136-N515 PolarHBondContact O-OD1 3.35Å; K136-N515 VanDerWaalsContact O-OD1 3.09Å |
| 516 | N | 24.7 | Very low | 28.2 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 37% | 0.369 | 76% | 0.762 | S | S | . | * | | | trans | 44.7 | 100.1 | 145.8 | -57.5 | -36.9 | 0 | 0 | 0 | 119.4 | S135 K136 | S135-N516 PolarHBondContact OG-ND2 3.16Å; S135-N516 VanDerWaalsContact OG-ND2 3.08Å; K136-N516 WeakPolarHBondContact CD-OD1 3.28Å; K136-N516 WeakPolarHBondContact CE-OD1 3.16Å; K136-N516 PolarHBondContact NZ-OD1 3.31Å |
| 517 | N | 29.2 | Very low | 28 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | | | | -158.2 | 159.9 | 105 | -99 | -29.1 | 0 | 0 | 0 | 110.8 | | |
| 518 | G | 26.5 | Very low | 27.9 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | | | trans | -86.3 | -177.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 519 | N | 26 | Very low | 27.6 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | 70.8 | 85.1 | 167.6 | -54.1 | -9.1 | 0 | 0 | 0 | 117.1 | | |
| 520 | N | 25.1 | Very low | 27.4 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | | -113.2 | 116.3 | 113.2 | -77.4 | -48.7 | 0 | 0 | 0 | 104.9 | | |
| 521 | L | 25.9 | Very low | 27.5 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | cis | 59.4 | 145.9 | 46.2 | -99 | 167.2 | 0 | 0 | 0 | 112.7 | | |
| 522 | S | 24.9 | Very low | 27.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -52.6 | 140.1 | -168.5 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | Q524 | S522-Q524 PolarHBondContact O-N 3.08Š|
| 523 | S | 30.7 | Very low | 27.6 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | trans | -54.8 | 130.6 | 160.5 | 48.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 524 | Q | 28.1 | Very low | 28 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | 39.6 | 117.6 | 132.1 | -62.9 | 178.2 | -8 | 0 | 0 | 118.8 | S522 | S522-Q524 PolarHBondContact O-N 3.08Š|
| 525 | T | 30.2 | Very low | 28.3 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | | | | 61.8 | 105.4 | 123.6 | -43.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 526 | E | 24.2 | Very low | 28.6 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -74.4 | 147.7 | 158.2 | -59.7 | -178.8 | 132.2 | 0 | 0 | 111.6 | | |
| 527 | V | 27.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | | 165.6 | 138.4 | 125.5 | 154.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 528 | S | 28 | Very low | 29.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 68.8 | 138.4 | 176 | -62.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 529 | E | 29.6 | Very low | 29.6 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | cis | -118.8 | 123.2 | -0.2 | -71.7 | -173.9 | 109 | 0 | 0 | 110.2 | | |
| 530 | V | 27.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | | 64.6 | 105.2 | 90.7 | 179.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 531 | T | 30.1 | Very low | 29.7 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | | -168.7 | 128.5 | 122.2 | 12.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 532 | L | 32.3 | Very low | 30.2 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | | | trans | 59.6 | 126.8 | 151.9 | -54.5 | 167.3 | 0 | 0 | 0 | 117.9 | | |
| 533 | Q | 30.7 | Very low | 30.6 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | | | cis | -162 | 143.6 | 8.6 | -111.9 | -180 | -43.5 | 0 | 0 | 111.1 | | |
| 534 | H | 32.9 | Very low | 30.5 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | | | trans | 52.4 | 142.9 | 150.1 | -57.1 | -49.4 | 0 | 0 | 0 | 120.5 | | |
| 535 | N | 32.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -173.8 | 157.7 | 0.3 | -105.6 | 2.1 | 0 | 0 | 0 | 108.2 | | |
| 536 | N | 33.1 | Very low | 30.7 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | | | cis | -167.5 | 129.4 | -15.8 | -161.8 | -9.1 | 0 | 0 | 0 | 112.2 | | |
| 537 | S | 29.6 | Very low | 31 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | 67.9 | 162.6 | 150.7 | -72.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 538 | P | 39.2 | Very low | 31 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | | | trans | -110.2 | -164.9 | -165.4 | 43.6 | -34.8 | 0 | 0 | 0 | 113.8 | | |
| 539 | T | 33 | Very low | 31.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | 161.4 | 166.1 | 136.7 | -61.6 | 0 | 0 | 0 | 0 | 112 | | |
| 540 | D | 28 | Very low | 31.3 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | | | trans | -51.1 | 157.1 | -171 | -66.5 | -72.9 | 0 | 0 | 0 | 122.2 | | |
| 541 | F | 25.5 | Very low | 31.6 | Very low | 193 Ų | 193 | 136 Ų | 136 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | | | trans | 34.2 | 166.9 | 136.6 | -75.8 | -93 | 0 | 0 | 0 | 122.6 | | |
| 542 | P | 37 | Very low | 31.4 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | | | cis | -121.8 | -147.2 | -0.8 | 31.1 | -5.9 | 0 | 0 | 0 | 110.7 | | |
| 543 | Q | 32.6 | Very low | 31.4 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | cis | -160.2 | 137.9 | 2.8 | -160.4 | 163.2 | -70.1 | 0 | 0 | 113.3 | | |
| 544 | A | 29.5 | Very low | 31.3 | Very low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 61.4 | 153.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 545 | H | 31.3 | Very low | 31.2 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | cis | -142.3 | 135.7 | 17.7 | -132.3 | -72.3 | 0 | 0 | 0 | 112.7 | | |
| 546 | S | 31.7 | Very low | 31.1 | Very low | 83 Ų | 83 | 144 Ų | 144 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | | | trans | 36.9 | 140.7 | 146.5 | 56.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 547 | D | 30.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | cis | -166.2 | 161.7 | -10 | -108.7 | -45.1 | 0 | 0 | 0 | 111.7 | | |
| 548 | N | 25.7 | Very low | 30.6 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -87.2 | 159.5 | 162.8 | -103.9 | -81.6 | 0 | 0 | 0 | 110.4 | | |
| 549 | L | 33.4 | Very low | 30 | Very low | 142 Ų | 142 | 149 Ų | 149 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | trans | 172.2 | 123.1 | 138 | -92.9 | 163.4 | 0 | 0 | 0 | 112.7 | | |
| 550 | Q | 31.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | | 42.9 | 152.4 | 129 | -61.1 | -171.2 | 48.1 | 0 | 0 | 122.2 | | |
| 551 | K | 33.5 | Very low | 29.8 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | cis | -163.9 | 163.6 | -15.3 | -112.5 | 174.1 | -165.5 | 155.2 | 0 | 108.8 | | |
| 552 | S | 26 | Very low | 30.1 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -54.6 | 128 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 553 | V | 32.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | -142.6 | 151 | 145 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 554 | R | 28.4 | Very low | 29.9 | Very low | 221 Ų | 221 | 144.8 Ų | 144.8 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | trans | -57.1 | 158.4 | -176.9 | -71.5 | 175.8 | 161.6 | 110.9 | -6.6 | 118.1 | | |
| 555 | L | 30.2 | Very low | 30.2 | Very low | 153 Ų | 153 | 147 Ų | 147 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | trans | 84.3 | 141.8 | 142.5 | -79.6 | 158.8 | 0 | 0 | 0 | 121.3 | | |
| 556 | R | 30.4 | Very low | 30.3 | Very low | 228 Ų | 228 | 142.7 Ų | 142.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | 49.8 | 100.7 | 158.6 | -78.4 | -177.1 | 170.5 | 155.8 | -4.8 | 119.9 | | |
| 557 | N | 25.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | | 38.8 | 105.2 | 112 | -157.4 | 33.3 | 0 | 0 | 0 | 119 | | |
| 558 | R | 26.5 | Very low | 30.3 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | 68.4 | 114.9 | 137.2 | -96.7 | -175.4 | 164.6 | 172.1 | -4.2 | 122 | | |
| 559 | T | 27.5 | Very low | 30.6 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 63% | 0.632 | 77% | 0.767 | S | S | * | * | | | | 49.4 | 124.1 | 124 | 58.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 560 | T | 30.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -162.1 | 158.3 | 138.6 | 50 | 0 | 0 | 0 | 0 | 109 | | |
| 561 | H | 26.9 | Very low | 30.5 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | cis | -168.6 | 142.5 | -38.4 | -96.6 | -37.7 | 0 | 0 | 0 | 109.2 | | |
| 562 | S | 31.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -177.9 | 137.1 | 151.8 | -78.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 563 | N | 32.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | | | cis | -166.1 | 158.3 | -16.6 | -101.9 | -16.9 | 0 | 0 | 0 | 106.7 | | |
| 564 | S | 32.4 | Very low | 30.3 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | cis | -171.5 | 165 | -10.2 | 45.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 565 | S | 35.9 | Very low | 30.6 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | | | trans | 72.8 | 147.7 | 174.3 | 78.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 566 | G | 32.5 | Very low | 30.5 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | | | cis | 177.5 | 150.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 567 | G | 30.5 | Very low | 30.6 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | trans | 95.5 | 125.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 568 | S | 32.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | cis | 85.9 | 138.2 | 44.1 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 569 | S | 31.5 | Very low | 31.3 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | | | cis | -178.3 | 150.6 | -13.1 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 570 | I | 31.3 | Very low | 31.6 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | 66 | 121.2 | 157.3 | -60.4 | 153.3 | 0 | 0 | 0 | 114.3 | | |
| 571 | H | 32.2 | Very low | 31.7 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | | -175.1 | 159.5 | 75.7 | -145.5 | 34.2 | 0 | 0 | 0 | 108.1 | | |
| 572 | N | 28.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | | | cis | -141.1 | -126.9 | -4.9 | -163.9 | -2 | 0 | 0 | 0 | 111.2 | | |
| 573 | N | 29.1 | Very low | 32 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | trans | -157.5 | 151 | -165.9 | -71.4 | -84.9 | 0 | 0 | 0 | 111.3 | | |
| 574 | N | 29.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | | -179 | 147.9 | 123.1 | -104.4 | -11.6 | 0 | 0 | 0 | 112.1 | | |
| 575 | S | 33.9 | Very low | 32 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | | -166.3 | 138.1 | -50.5 | 40.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 576 | N | 28.7 | Very low | 31.7 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -79 | 152.9 | -178.8 | -71.2 | -31.7 | 0 | 0 | 0 | 113.2 | | |
| 577 | N | 32.8 | Very low | 31.5 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -129.1 | 130.9 | 147.9 | -84.3 | -57.7 | 0 | 0 | 0 | 108 | | |
| 578 | K | 31.2 | Very low | 31.8 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | | | cis | -159.9 | 165.6 | -9.9 | -139.6 | 169.1 | -167.4 | 158.7 | 0 | 110.8 | | |
| 579 | S | 35.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 62.4 | 108.8 | 164.8 | 49.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 580 | Q | 33.2 | Very low | 31.4 | Very low | 181 Ų | 181 | 153.5 Ų | 153.5 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | 81.8 | 108.9 | 133.6 | -64.4 | -173.5 | -10.5 | 0 | 0 | 123 | | |
| 581 | F | 33 | Very low | 31.3 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 61.4 | 116.5 | 136 | -83.2 | -77.2 | 0 | 0 | 0 | 123.8 | | |
| 582 | D | 31.5 | Very low | 31.2 | Very low | 142 Ų | 142 | 154.6 Ų | 154.6 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -0.5 | 124.5 | 148.3 | -65 | -45.9 | 0 | 0 | 0 | 120 | | |
| 583 | R | 32.8 | Very low | 31.1 | Very low | 246 Ų | 246 | 156 Ų | 156 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | | | | -165.8 | 152 | 97.2 | -111.5 | 175.5 | 172.7 | 165.1 | -2.3 | 115.9 | | |
| 584 | V | 30.4 | Very low | 31.2 | Very low | 128 Ų | 128 | 158.6 Ų | 158.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -65.8 | 137.9 | 172.5 | 174 | 0 | 0 | 0 | 0 | 112.1 | | |
| 585 | H | 34.1 | Very low | 31.2 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -160.6 | 144.8 | 140.2 | -107.8 | -69.6 | 0 | 0 | 0 | 116.3 | | |
| 586 | H | 30.4 | Very low | 31 | Very low | 158 Ų | 158 | 157 Ų | 157 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | | | trans | 6.3 | 131.7 | 158.8 | -64.2 | -25.1 | 0 | 0 | 0 | 125.7 | | |
| 587 | R | 28.1 | Very low | 31 | Very low | 242 Ų | 242 | 155.9 Ų | 155.9 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | | | trans | 66.4 | 169 | 131.7 | -93 | -160.8 | 157.4 | 177.2 | -6.7 | 119.2 | | |
| 588 | P | 36.1 | Very low | 30.8 | Very low | 106 Ų | 106 | 158.7 Ų | 158.7 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | | | trans | -111.2 | -167.8 | -153.1 | 44.9 | -39 | 0 | 0 | 0 | 114.4 | | |
| 589 | S | 25.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 73.6 | 107.1 | 174.4 | 66.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 590 | H | 30.8 | Very low | 30.5 | Very low | 196 Ų | 196 | 155 Ų | 155 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | | | trans | -132.2 | 141.5 | 138.6 | -113.6 | -89 | 0 | 0 | 0 | 108.3 | | |
| 591 | I | 29.6 | Very low | 30.2 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | trans | -101.4 | 131.2 | 173.8 | -69.4 | 167.8 | 0 | 0 | 0 | 106.5 | I593 | I591-I593 HydrophobicContact CG2-CD1 3.81Å; I591-I593 HydrophobicContact CG2-CG1 3.69Å |
| 592 | E | 30.3 | Very low | 30.2 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | | | trans | -100.2 | 126.4 | 157.2 | -78.4 | -168.4 | 129.7 | 0 | 0 | 109.1 | | |
| 593 | I | 27.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | -123.8 | 118.5 | 165.9 | -70.4 | 161.5 | 0 | 0 | 0 | 106.7 | I591 | I591-I593 HydrophobicContact CG2-CD1 3.81Å; I591-I593 HydrophobicContact CG2-CG1 3.69Å |
| 594 | K | 30.7 | Very low | 30 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -171.2 | 118.7 | 142.5 | -99.8 | 150.2 | -175.7 | -178 | 0 | 106.8 | | |
| 595 | D | 29.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | | 63.1 | 95.5 | 84.8 | -68.4 | -52.3 | 0 | 0 | 0 | 110.9 | | |
| 596 | S | 28.4 | Very low | 29.7 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | | 96.9 | 150.9 | 55.3 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 597 | Q | 29.5 | Very low | 29.9 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | | | trans | 118 | 113.1 | 151.9 | -59.3 | -159.7 | 3.7 | 0 | 0 | 118.7 | | |
| 598 | Y | 29.2 | Very low | 29.9 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 72.6 | 158.3 | 132.6 | -61.8 | -168.5 | 0 | 0 | 0 | 115.8 | | |
| 599 | S | 30.8 | Very low | 30 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | cis | -170.5 | 162.5 | -14.8 | -99.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 600 | S | 29.4 | Very low | 30.1 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | cis | -171.8 | -153.3 | -11.5 | 57.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 601 | L | 27.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | 65.4 | 100.8 | 159.9 | -74.1 | 161.9 | 0 | 0 | 0 | 120.3 | | |
| 602 | S | 31.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | | -166 | 116.2 | 127.6 | -85.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 603 | I | 30.6 | Very low | 30.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | 41.2 | 98.1 | 141.8 | -29 | 177.6 | 0 | 0 | 0 | 117.4 | | |
| 604 | H | 31.5 | Very low | 30.4 | Very low | 177 Ų | 177 | 129 Ų | 129 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | | | | -173.2 | 144.9 | 88 | -114.6 | -77.2 | 0 | 0 | 0 | 114.7 | | |
| 605 | A | 31 | Very low | 30.4 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | | | trans | 46.3 | 104.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 606 | L | 25.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | | -65.5 | 159.5 | 128.4 | -85.2 | 159.3 | 0 | 0 | 0 | 109.6 | | |
| 607 | P | 34.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | | | cis | -128.4 | 179.8 | 43.4 | 45 | -29.5 | 0 | 0 | 0 | 112.9 | | |
| 608 | S | 28.6 | Very low | 30.5 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | cis | 70.5 | 151.1 | 29.3 | -43.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 609 | P | 38.8 | Very low | 30.6 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | cis | -129.3 | -168.1 | -20.2 | 41.4 | -24.9 | 0 | 0 | 0 | 113.3 | | |
| 610 | S | 25.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -64.4 | 148.5 | 174.4 | -34.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 611 | S | 33.1 | Very low | 30.8 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -163.8 | 128.7 | 144.5 | 59 | 0 | 0 | 0 | 0 | 110.2 | | |
| 612 | A | 28.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | | 46 | 126.8 | 105.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 613 | F | 32.2 | Very low | 30.8 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | | | | -124.6 | 133.8 | 51.5 | -97.3 | -105.1 | 0 | 0 | 0 | 117.3 | | |
| 614 | T | 31.7 | Very low | 31.3 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | trans | 26.1 | 109.3 | 142.6 | 58.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 615 | P | 31.1 | Very low | 31.2 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -82.9 | -169 | 130.2 | 38 | -33.8 | 0 | 0 | 0 | 110.6 | | |
| 616 | T | 32.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | | | trans | 98.9 | 141.6 | 164.4 | -48.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 617 | R | 28.4 | Very low | 31.5 | Very low | 226 Ų | 226 | 129.9 Ų | 129.9 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | cis | 179.9 | 160.2 | -24.6 | -177.1 | 175.5 | 174.1 | -171.7 | -1.3 | 108.1 | | |
| 618 | A | 27.9 | Very low | 31.3 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | 70.9 | 156.5 | 167 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 619 | S | 31.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | cis | -127.4 | 170.1 | 14.6 | -98.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 620 | F | 34.1 | Very low | 31 | Very low | 196 Ų | 196 | 132 Ų | 132 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | -35.5 | 155.3 | 172.2 | -44.6 | -90.1 | 0 | 0 | 0 | 115.8 | | |
| 621 | G | 30.3 | Very low | 31.3 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | cis | 115.5 | 84.5 | 7.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 622 | S | 28 | Very low | 31.2 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | 56.1 | 129.9 | 160.8 | -54.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 623 | F | 30.8 | Very low | 31.3 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | | 178 | 150.6 | 97.2 | -83.7 | -62.4 | 0 | 0 | 0 | 110.3 | | |
| 624 | P | 40.7 | Very low | 31.4 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -85.8 | 147 | 170.8 | 34.6 | -32.2 | 0 | 0 | 0 | 112.2 | | |
| 625 | M | 29.7 | Very low | 31.3 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | 11.5 | 124.3 | 156.9 | -59.2 | -69.9 | -76.7 | 0 | 0 | 118.8 | | |
| 626 | D | 29.5 | Very low | 31.9 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | | -166.2 | 168.4 | 110.6 | -122.6 | -30.6 | 0 | 0 | 0 | 115 | | |
| 627 | V | 33.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | 68.5 | 115.9 | 169.4 | -158.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 628 | N | 29.6 | Very low | 32.1 | Very low | 162 Ų | 162 | 129 Ų | 129 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | | | trans | -94.3 | 130.9 | 162.8 | -92.2 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 629 | S | 31.4 | Very low | 32.1 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | 170.6 | 116.3 | 140.2 | 32.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 630 | S | 30.6 | Very low | 32.1 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | cis | 86.9 | 87 | 46.3 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 631 | E | 32.4 | Very low | 31.8 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | -148.6 | 133.3 | 151.8 | -81 | -141.7 | 123.5 | 0 | 0 | 112.4 | | |
| 632 | F | 30.5 | Very low | 31.7 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | | | trans | 22.2 | 154.2 | 145.9 | -60.1 | -85.3 | 0 | 0 | 0 | 124.1 | | |
| 633 | S | 30 | Very low | 31.8 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | | | cis | 179.5 | 128.7 | -31.4 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 634 | L | 35.1 | Very low | 32 | Very low | 175 Ų | 175 | 128 Ų | 128 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | | | trans | -157.2 | 86.7 | 147.1 | -78.4 | -172.4 | 0 | 0 | 0 | 105.8 | | |
| 635 | S | 30.1 | Very low | 31.6 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | | 71.7 | 145.5 | 65.5 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 636 | P | 42.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 129 Ų | 129 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | cis | -138.4 | 177.1 | 21.9 | 40.6 | -21.3 | 0 | 0 | 0 | 117.5 | | |
| 637 | T | 32.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | | | trans | 49.7 | 113.8 | 145 | 51.6 | 0 | 0 | 0 | 0 | 120 | | |
| 638 | T | 32.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | | 72.2 | 154 | 66.3 | 66.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 639 | E | 28.8 | Very low | 31.5 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | 54.3 | 116.3 | 154.1 | -74 | 161.6 | -141.6 | 0 | 0 | 117.4 | | |
| 640 | S | 30.5 | Very low | 31.5 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | | 178.1 | 158.6 | 55.7 | -106 | 0 | 0 | 0 | 0 | 114 | | |
| 641 | I | 28.3 | Very low | 31.4 | Very low | 153 Ų | 153 | 133 Ų | 133 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -18 | 151.7 | 148.2 | 0.2 | 174 | 0 | 0 | 0 | 118.2 | | |
| 642 | S | 28.7 | Very low | 31.9 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | 80.1 | 98.3 | 147.5 | -59.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 643 | S | 28.9 | Very low | 32.2 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | | 70.6 | 136.9 | 125.4 | 67 | 0 | 0 | 0 | 0 | 122.4 | | |
| 644 | S | 35.1 | Very low | 32.6 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | trans | 92.5 | 119.1 | 140.3 | 76.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 645 | I | 32.4 | Very low | 32.6 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | | | trans | 77.3 | 88.2 | 136.9 | -61.3 | 168.3 | 0 | 0 | 0 | 118.2 | | |
| 646 | Q | 28.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 128 Ų | 128 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | | 68.4 | 147.1 | 109.6 | -109.5 | 178.3 | 1 | 0 | 0 | 122.1 | | |
| 647 | I | 30.5 | Very low | 32.6 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | | | trans | 74.9 | 131.4 | 156 | -59.9 | 155.9 | 0 | 0 | 0 | 113.9 | | |
| 648 | T | 34.6 | Very low | 32.5 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | cis | -140.2 | 166 | 17.5 | -21.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 649 | T | 27.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | trans | -48.1 | 162.7 | 161.7 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 650 | R | 31 | Very low | 32.6 | Very low | 234 Ų | 234 | 130.2 Ų | 130.2 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | | -171.4 | 156 | 58.9 | -137.8 | 170.3 | -167.6 | 170.4 | 3.1 | 114.4 | | |
| 651 | T | 29.2 | Very low | 32.9 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -74.5 | 177.3 | 165.5 | 38.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 652 | P | 43.4 | Very low | 33.3 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | cis | -154.3 | -168.7 | 30.1 | 45.5 | -23.1 | 0 | 0 | 0 | 120 | | |
| 653 | S | 35.4 | Very low | 33.6 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | 70.6 | 154.1 | 149.8 | 66.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 654 | S | 38.8 | Very low | 34 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | cis | -171.4 | 174.2 | -21.8 | 55.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 655 | G | 35.9 | Very low | 34 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | cis | -121.9 | -131.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 656 | F | 34.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | cis | -140.3 | 167.6 | -0.6 | -120.4 | -90.2 | 0 | 0 | 0 | 110.5 | | |
| 657 | H | 37.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | -48.9 | 166.8 | -175.9 | -59.4 | -57.9 | 0 | 0 | 0 | 117.3 | | |
| 658 | E | 32.2 | Very low | 34.8 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | cis | -151.9 | 155.1 | 26.7 | -164.8 | 164.1 | -144.8 | 0 | 0 | 114.8 | | |
| 659 | A | 30.9 | Very low | 35 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | -149.5 | 151.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 660 | S | 31.5 | Very low | 35.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -150.9 | 143.1 | 170.2 | -82.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 661 | F | 36.8 | Very low | 35.9 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | -118.7 | -178.3 | -166.4 | -107 | -102 | 0 | 0 | 0 | 112 | | |
| 662 | F | 37.5 | Very low | 36.1 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | 118.3 | 123.5 | 152.2 | -70.2 | -74 | 0 | 0 | 0 | 115.5 | | |
| 663 | G | 33.7 | Very low | 35.5 | Very low | 63 Ų | 63 | 130.9 Ų | 130.9 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | cis | 164 | 175.5 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 664 | L | 38 | Very low | 35.5 | Very low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | 73.3 | 140.8 | 163.8 | -46.1 | -179.4 | 0 | 0 | 0 | 117 | | |
| 665 | S | 34.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | | | cis | 94 | 143.5 | 18.3 | -58.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 666 | E | 37.6 | Very low | 35.1 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | cis | -173.4 | 170 | -8.5 | -104.8 | 153.2 | -123.9 | 0 | 0 | 107.3 | | |
| 667 | A | 37.2 | Very low | 34.9 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | cis | -173.9 | 177 | -28.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 668 | S | 32.6 | Very low | 34.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 73.3 | 163.6 | 165.4 | -46.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 669 | S | 38.7 | Very low | 34.7 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | cis | -160.2 | 165.6 | 10.9 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 670 | L | 34.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | 72.8 | 139.1 | 154.4 | -66 | 171.4 | 0 | 0 | 0 | 123.9 | | |
| 671 | P | 43.6 | Very low | 34.9 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | trans | -142.2 | -175.7 | 132.7 | 41.7 | -28 | 0 | 0 | 0 | 116 | | |
| 672 | D | 32.3 | Very low | 34.8 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | 79.2 | 129 | 162.6 | -74.3 | -10.3 | 0 | 0 | 0 | 124.1 | | |
| 673 | C | 31.6 | Very low | 34.5 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | | | trans | -169.5 | 170.7 | 140 | -101.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 674 | S | 34.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -145.9 | -174.3 | -158.4 | -41.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 675 | R | 34.2 | Very low | 34.7 | Very low | 212 Ų | 212 | 125.7 Ų | 125.7 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | 85.5 | 155.9 | 176.3 | -59.7 | 179 | 165.3 | -176.3 | -3.8 | 115.6 | | |
| 676 | F | 32.9 | Very low | 34.6 | Very low | 191 Ų | 191 | 126 Ų | 126 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | cis | -114.6 | -157.4 | 5.3 | -69.8 | -96 | 0 | 0 | 0 | 110.7 | | |
| 677 | G | 30.7 | Very low | 34.3 | Very low | 66 Ų | 66 | 123.9 Ų | 123.9 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | cis | -168.1 | -161.3 | 7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 678 | V | 34.3 | Very low | 34.2 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | -145 | 138.9 | -172.3 | -141.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 679 | S | 30.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 63.3 | 135.6 | 153.5 | -70.4 | 0 | 0 | 0 | 0 | 124.6 | | |
| 680 | S | 33.2 | Very low | 34 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | 98.9 | 132.9 | 143.1 | -65.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 681 | D | 33.6 | Very low | 33.9 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 73.3 | 119.4 | 151.4 | -63.3 | -38.7 | 0 | 0 | 0 | 124.9 | | |
| 682 | S | 35 | Very low | 33.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | 81.2 | 144.7 | 139.9 | 79.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 683 | G | 32 | Very low | 33.4 | Very low | 74 Ų | 74 | 125.4 Ų | 125.4 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | 95.6 | 115.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 684 | P | 41.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -107.1 | 141.4 | 177 | 37.1 | -30.1 | 0 | 0 | 0 | 114.2 | | |
| 685 | S | 32.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | -164.7 | 165.2 | 139.2 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 686 | S | 34.4 | Very low | 33.3 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | -22.3 | 147.3 | 165.1 | 42 | 0 | 0 | 0 | 0 | 117.4 | | |
| 687 | N | 31.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 127 Ų | 127 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | cis | -158 | 166.7 | 29.4 | -123.9 | -5.8 | 0 | 0 | 0 | 115.2 | | |
| 688 | H | 35.1 | Very low | 33.4 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | | | trans | 10.4 | 155.2 | 145.4 | -63.2 | -15.2 | 0 | 0 | 0 | 122.6 | | |
| 689 | H | 35 | Very low | 33.4 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | | | cis | -151.8 | 146.5 | 13.1 | -114.9 | -48.7 | 0 | 0 | 0 | 111.8 | | |
| 690 | C | 31.8 | Very low | 33.5 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 94% | 0.939 | 75% | 0.753 | S | S | * | * | | | trans | -159.5 | 100.4 | 142.9 | -143.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 691 | N | 31.9 | Very low | 33.4 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 54% | 0.535 | 76% | 0.756 | S | S | . | * | | | trans | -152 | 113.3 | -172.5 | -176.8 | 28.7 | 0 | 0 | 0 | 113.4 | | |
| 692 | C | 32.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | | | trans | -131.6 | 96.4 | 165.2 | -57.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 693 | N | 33.8 | Very low | 32.9 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 48% | 0.481 | 74% | 0.744 | S | S | . | * | | | cis | 74.2 | 96.8 | 26.5 | -150.2 | 20.4 | 0 | 0 | 0 | 114.3 | | |
| 694 | C | 28.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 95% | 0.946 | 73% | 0.729 | S | S | * | * | | | trans | -117.6 | 86.5 | 152.9 | -72.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 695 | H | 32.2 | Very low | 32.6 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.745 | 71% | 0.71 | S | S | * | * | | | trans | -91.2 | -176.1 | 165 | -113.4 | -43.9 | 0 | 0 | 0 | 109.7 | | |
| 696 | Q | 36.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | | | trans | 90.4 | 144.8 | 167.3 | -55.8 | -162.4 | 14.1 | 0 | 0 | 118.6 | | |
| 697 | R | 34.4 | Very low | 32.8 | Very low | 219 Ų | 219 | 148.9 Ų | 148.9 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | | | cis | -159.9 | 158.1 | -33.5 | -123.4 | 171.8 | -170 | -170.5 | 5.6 | 111.5 | | |
| 698 | R | 31.8 | Very low | 32.9 | Very low | 205 Ų | 205 | 153.1 Ų | 153.1 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | | | trans | -53.2 | 158.3 | 170 | -51.8 | 162.8 | 166.6 | -172.1 | -5 | 114.3 | | |
| 699 | Q | 34.3 | Very low | 33 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | | | | -140.1 | 118.5 | 109.4 | -63.5 | -155.8 | 33.3 | 0 | 0 | 107.7 | | |
| 700 | Q | 31.5 | Very low | 33 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 59% | 0.589 | 72% | 0.72 | S | S | * | * | | | | 67.1 | 112.1 | 81.4 | -66.3 | -144.6 | 81.4 | 0 | 0 | 115.7 | | |
| 701 | H | 31.9 | Very low | 32.9 | Very low | 174 Ų | 174 | 152 Ų | 152 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | | | | -170 | 179.4 | 117.7 | -101.6 | -68.4 | 0 | 0 | 0 | 112.2 | | |
| 702 | Y | 29.3 | Very low | 32.9 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | trans | -94.5 | 159.7 | -146 | -99.5 | -120.2 | 0 | 0 | 0 | 118.2 | | |
| 703 | H | 29.1 | Very low | 33 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 70% | 0.704 | 71% | 0.713 | S | S | * | * | | | trans | 69.4 | 156 | 159.1 | -70.9 | -34 | 0 | 0 | 0 | 116.9 | | |
| 704 | H | 32.5 | Very low | 32.9 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 45% | 0.449 | 72% | 0.716 | S | S | . | * | | | cis | -163 | 136.5 | 28.8 | -143.6 | 11.5 | 0 | 0 | 0 | 111.7 | L327 L328 | L327-H704 VanDerWaalsContact CD2-CD2 3.42Å; L327-H704 WeakPolarHBondContact CD2-CD2 3.35Å; L328-H704 HydrophobicContact CD2-CB 3.52Å; L328-H704 VanDerWaalsContact CD2-O 3.3Å; L328-H704 WeakPolarHBondContact CD2-O 3.49Å |
| 705 | H | 34.3 | Very low | 33.1 | Very low | 94 Ų | 94 | 154.1 Ų | 154.1 | 44% | 0.435 | 71% | 0.708 | S | S | . | * | | | trans | 52.7 | 154.1 | 169.3 | -61.7 | -117.8 | 0 | 0 | 0 | 120.6 | L328 | L328-H705 HydrophobicContact CD1-CB 3.73Å; L328-H705 VanDerWaalsContact CD1-CG 3.49Å; L328-H705 HydrophobicContact CD2-CB 3.71Å; L328-H705 HydrophobicContact CG-CB 4.28Å |
| 706 | H | 36.8 | Very low | 33.3 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | | | cis | -156.5 | 163.6 | -4.6 | -127 | -9.6 | 0 | 0 | 0 | 113.4 | | |
| 707 | R | 33.4 | Very low | 32.9 | Very low | 211 Ų | 211 | 150.9 Ų | 150.9 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | | | trans | 62.2 | 115.8 | 165.9 | -70.2 | -178.3 | 175 | -178.1 | -2.7 | 116.3 | | |
| 708 | R | 34.6 | Very low | 33 | Very low | 218 Ų | 218 | 149.8 Ų | 149.8 | 82% | 0.823 | 70% | 0.702 | S | S | * | * | | | | 71.4 | 129.5 | 73.6 | -73.7 | -173.4 | -175.6 | 166.6 | 0.7 | 111.9 | | |
| 709 | N | 36.7 | Very low | 33.2 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | | | cis | -143.1 | 140.2 | 17.2 | -111.8 | 5 | 0 | 0 | 0 | 114.8 | | |
| 710 | Q | 35 | Very low | 33.4 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | | | trans | 47.6 | 116.8 | 131.3 | -64.6 | 170.4 | -37.2 | 0 | 0 | 121.5 | | |
| 711 | T | 30.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | | | trans | -68.8 | 150 | 153.1 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 712 | N | 30.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | 174.8 | 151.3 | 131.5 | -101.5 | -10.4 | 0 | 0 | 0 | 113.6 | | |
| 713 | I | 34.7 | Very low | 34 | Very low | 148 Ų | 148 | 142 Ų | 142 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | 63.4 | 143.2 | 141.3 | -67.8 | 169 | 0 | 0 | 0 | 117.2 | | |
| 714 | S | 32.1 | Very low | 34.2 | Very low | 77 Ų | 77 | 138 Ų | 138 | 54% | 0.538 | 72% | 0.715 | S | S | . | * | | | cis | 175.7 | 164.4 | -23.3 | 63.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 715 | I | 33.1 | Very low | 34.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | trans | 68.2 | 142.8 | 150.3 | -73.4 | 166.9 | 0 | 0 | 0 | 114.6 | | |
| 716 | D | 35.2 | Very low | 34 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | | | cis | -152.3 | 172.3 | -3.3 | -135.9 | 23.4 | 0 | 0 | 0 | 113.7 | | |
| 717 | N | 28.1 | Very low | 33.8 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | -5.2 | 124.7 | 148.2 | -65.3 | -61.8 | 0 | 0 | 0 | 119.2 | | |
| 718 | K | 36.9 | Very low | 33.9 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | | -170.9 | 132.6 | 115.5 | -107.5 | 163.4 | -174.2 | 172.8 | 0 | 114.2 | | |
| 719 | S | 36.8 | Very low | 34 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | 40.8 | 140.1 | 142.3 | 63.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 720 | L | 38.1 | Very low | 33.8 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | cis | -163.7 | 149 | 28.6 | -160.7 | 70.1 | 0 | 0 | 0 | 111.1 | | |
| 721 | N | 35.6 | Very low | 33.8 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | 43.1 | 124.7 | 162.8 | -57.9 | -8 | 0 | 0 | 0 | 119.3 | | |
| 722 | Q | 33.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | cis | 60.6 | 81.8 | 42.9 | -62 | -163 | -2.3 | 0 | 0 | 116.7 | | |
| 723 | S | 35 | Very low | 34 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | trans | -179.7 | 162.2 | 136.6 | 46.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 724 | G | 34 | Very low | 34.1 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | | | cis | 159.3 | 86 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 725 | N | 31.8 | Very low | 34.7 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | 67.3 | 145.1 | 172 | -89.2 | -20.9 | 0 | 0 | 0 | 120.3 | | |
| 726 | M | 30.7 | Very low | 34.6 | Very low | 164 Ų | 164 | 135 Ų | 135 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | 56.6 | 96.4 | 146 | -68.6 | -71.2 | 120.1 | 0 | 0 | 121.1 | | |
| 727 | S | 33.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 79.6 | 140.2 | 137.2 | -155.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 728 | S | 35.6 | Very low | 35 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 82.3 | 127.7 | 162.2 | 82.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 729 | K | 36.3 | Very low | 34.9 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 76.2 | 127.8 | 141.2 | -80.3 | -175.8 | 172.7 | -176.3 | 0 | 122.9 | | |
| 730 | L | 33.1 | Very low | 35.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | | | trans | 84.8 | 102.2 | 130.7 | -70.8 | 173.1 | 0 | 0 | 0 | 121.6 | | |
| 731 | T | 33.7 | Very low | 35.1 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | | | | 57.7 | 139.5 | 118.1 | 54.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 732 | D | 31.6 | Very low | 35.4 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | | 105.3 | 134 | 127.5 | -82.7 | 3.1 | 0 | 0 | 0 | 123.9 | | |
| 733 | L | 34.7 | Very low | 35.4 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | | | trans | 83.1 | 116.3 | 145 | -67 | 162.2 | 0 | 0 | 0 | 124.1 | | |
| 734 | E | 36.5 | Very low | 35.7 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -28 | -176.7 | 132.3 | -111.3 | -176.7 | 177.9 | 0 | 0 | 118.3 | | |
| 735 | P | 44.1 | Very low | 35.6 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | | | cis | -144.6 | -172.2 | -4.6 | 35.3 | -11.7 | 0 | 0 | 0 | 118 | | |
| 736 | C | 32.1 | Very low | 36.1 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | 60.7 | 132 | 141.3 | -79.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 737 | F | 37.2 | Very low | 36.2 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | | 170.9 | 134.7 | 95.7 | -92.8 | -59.5 | 0 | 0 | 0 | 117.1 | | |
| 738 | K | 33.4 | Very low | 36.7 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | 49.2 | 160.4 | 138.9 | -75.8 | 174 | 173.9 | -168.4 | 0 | 124 | | |
| 739 | L | 36.8 | Very low | 36.8 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | cis | -175 | -171.5 | -39.9 | -123.7 | 174.6 | 0 | 0 | 0 | 110.3 | | |
| 740 | E | 40.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | trans | 78.9 | 143.2 | 164.8 | -65 | 164.3 | -150.4 | 0 | 0 | 118.6 | | |
| 741 | D | 37.1 | Very low | 37 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | cis | -169.5 | 171.7 | -17.7 | -111 | -0.8 | 0 | 0 | 0 | 115.8 | | |
| 742 | S | 41.8 | Very low | 37.2 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | 96.8 | 139.9 | 152.3 | -60.8 | 0 | 0 | 0 | 0 | 125.1 | | |
| 743 | E | 33.2 | Very low | 37.3 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -121.2 | 171.7 | 173.1 | -55.4 | -177.2 | 123.4 | 0 | 0 | 112.6 | | |
| 744 | P | 42.9 | Very low | 37 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | | -149.4 | 174.9 | 92.1 | 35.7 | -15.9 | 0 | 0 | 0 | 114.9 | | |
| 745 | N | 30.6 | Very low | 36.9 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | cis | 105.2 | 109.6 | 5.5 | -165.3 | 0.9 | 0 | 0 | 0 | 118 | | |
| 746 | I | 43.2 | Very low | 36.3 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 90% | 0.903 | 75% | 0.748 | S | S | * | * | | | trans | -163.2 | 153.7 | 160.6 | -98.9 | 155.7 | 0 | 0 | 0 | 109.7 | | |
| 747 | N | 31.7 | Very low | 36.3 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | -152.2 | 155.2 | -159.6 | 170.1 | 58 | 0 | 0 | 0 | 114.1 | | |
| 748 | D | 44.1 | Very low | 35.9 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -157.4 | 142 | 168.2 | -136.6 | -18.4 | 0 | 0 | 0 | 117.1 | | |
| 749 | N | 38.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | | | trans | 29.2 | 118.7 | 164.3 | -75 | -58.7 | 0 | 0 | 0 | 122.5 | | |
| 750 | H | 37.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | | | | 73.9 | 132.4 | 70.8 | -75.5 | -13.1 | 0 | 0 | 0 | 114.7 | | |
| 751 | Q | 36.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | | | cis | -150.6 | 171.6 | 10.9 | -98.8 | 174.4 | 32.1 | 0 | 0 | 108.1 | | |
| 752 | S | 37.2 | Very low | 34.3 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | | | cis | -169.4 | 178.4 | -19.4 | 61.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 753 | R | 32.6 | Very low | 33.6 | Very low | 216 Ų | 216 | 130.1 Ų | 130.1 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -166 | 129.9 | 17 | -134.5 | 150.3 | -175.5 | -173.3 | 3.4 | 103.3 | | |
| 754 | N | 30.3 | Very low | 33.6 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | S | Bend | cis | -142.3 | 158 | 10.9 | -80.4 | -30.2 | 0 | 0 | 0 | 107.4 | | |
| 755 | T | 33.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | | | cis | -165.9 | 146.2 | -6.8 | 18.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 756 | S | 31.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | trans | 49.2 | 151.5 | 133.9 | -48.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 757 | S | 31 | Very low | 32.6 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | cis | -174.5 | 157.8 | -16.2 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 758 | S | 29.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | trans | 21.9 | 136.6 | 138.1 | -38.9 | 0 | 0 | 0 | 0 | 122 | | |
| 759 | S | 29 | Very low | 31.9 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | | | | 57.3 | 133.9 | 128.9 | 66.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 760 | S | 26.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | 67.7 | 133.2 | 137.8 | 61.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 761 | S | 29.4 | Very low | 31 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | trans | 77.4 | 133.6 | 144.1 | 68.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 762 | S | 29.6 | Very low | 30.6 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | trans | 70.3 | 113.2 | 150.7 | 28.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 763 | N | 28.2 | Very low | 30.1 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | | | | 92.6 | 120.7 | 123.7 | -62 | 2 | 0 | 0 | 0 | 121.8 | | |
| 764 | S | 32.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | | | trans | 67.6 | 114.5 | 137.7 | 55.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 765 | D | 31.2 | Very low | 30.2 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | | | | 76.5 | 116.7 | 127.5 | -54.3 | -22.2 | 0 | 0 | 0 | 122.5 | | |
| 766 | S | 34.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | | | trans | 58.3 | 98 | 132.7 | -58.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 767 | S | 29.3 | Very low | 30.6 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | trans | 178 | 169.5 | 130.4 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 768 | S | 32 | Very low | 30.6 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | 109.3 | 101.1 | 147.4 | 75.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 769 | Y | 29.3 | Very low | 30.7 | Very low | 216 Ų | 216 | 126.1 Ų | 126.1 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | | | | 63 | 101.2 | 126.3 | -70 | -79.9 | 0 | 0 | 0 | 125.7 | | |
| 770 | C | 28.7 | Very low | 30.8 | Very low | 100 Ų | 100 | 127 Ų | 127 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | | | | 70.9 | 119.2 | 111.4 | -67.3 | 0 | 0 | 0 | 0 | 127.1 | | |
| 771 | C | 27.8 | Very low | 31 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | | | | 80 | 109.6 | 119.2 | -61.5 | 0 | 0 | 0 | 0 | 126.3 | | |
| 772 | S | 27.8 | Very low | 31.1 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | | 83.3 | 110.3 | 114.3 | -54.9 | 0 | 0 | 0 | 0 | 127.1 | | |
| 773 | Y | 28.1 | Very low | 31.1 | Very low | 219 Ų | 219 | 138 Ų | 138 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | 68.8 | 164.1 | 139.9 | -78 | -115.6 | 0 | 0 | 0 | 123 | | |
| 774 | S | 31.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | cis | 177.3 | 142.2 | -44.3 | -89.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 775 | L | 33.6 | Very low | 31.3 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | 63.9 | 168 | 152.1 | -72.7 | 169.8 | 0 | 0 | 0 | 121.4 | | |
| 776 | P | 40.9 | Very low | 31.5 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | cis | -142.6 | 169.2 | -22.6 | 37 | -17.3 | 0 | 0 | 0 | 119.2 | | |
| 777 | S | 32.4 | Very low | 31.5 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | 64.3 | 175.4 | 146 | 64.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 778 | V | 30.7 | Very low | 32.2 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | cis | -153.9 | 168.8 | -1.5 | -129 | 0 | 0 | 0 | 0 | 111.6 | | |
| 779 | K | 30.4 | Very low | 32.1 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 90% | 0.9 | 74% | 0.736 | S | S | * | * | | | trans | -161.8 | 158.5 | 157.2 | -129.8 | 173.4 | -175.3 | 177.7 | 0 | 117.2 | | |
| 780 | C | 31.2 | Very low | 32.3 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | | | trans | -147.4 | -167.7 | -168.5 | -60.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 781 | M | 30.7 | Very low | 32.8 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | 100.9 | 155.4 | 161 | -63.5 | -177.9 | 66.9 | 0 | 0 | 119.1 | | |
| 782 | L | 31.6 | Very low | 33 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | cis | -178.7 | -178.9 | -39.5 | -121.6 | 175.3 | 0 | 0 | 0 | 111.7 | | |
| 783 | R | 29.9 | Very low | 33.5 | Very low | 213 Ų | 213 | 137.4 Ų | 137.4 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | 84.7 | 170.3 | 152.1 | -87.7 | 177.5 | 167.2 | -154.6 | -4.4 | 121.4 | | |
| 784 | C | 33.1 | Very low | 33.7 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 55% | 0.554 | 74% | 0.74 | S | S | * | * | | | cis | -135.1 | -146.9 | 1.5 | -138.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 785 | C | 33.2 | Very low | 33.7 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 57% | 0.574 | 74% | 0.744 | S | S | * | * | | | cis | -114.2 | -117.7 | 3 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 786 | S | 34.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | | | cis | -170.8 | 169.8 | -29.1 | -108.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 787 | Q | 34.8 | Very low | 33.4 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | | | cis | -161.5 | 166 | -18.8 | -113.9 | 166.5 | -82.1 | 0 | 0 | 110.1 | | |
| 788 | P | 43.9 | Very low | 33.5 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | | | trans | -146.5 | -164.8 | -160.5 | 44.8 | -24.7 | 0 | 0 | 0 | 119.2 | | |
| 789 | N | 29.9 | Very low | 33.5 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | | | trans | 107.1 | 147.7 | 135.2 | -95.5 | 39.3 | 0 | 0 | 0 | 126.2 | | |
| 790 | D | 34.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | | | trans | 58.8 | 164.3 | 150.3 | -51.4 | -29.8 | 0 | 0 | 0 | 121.3 | | |
| 791 | D | 38.6 | Very low | 33.8 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | cis | -140.7 | -130.8 | 6.6 | -160 | -42 | 0 | 0 | 0 | 112.6 | | |
| 792 | T | 31.6 | Very low | 34.2 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | | | trans | -141.7 | 153.4 | -163.8 | 54.8 | 0 | 0 | 0 | 0 | 115 | | |
| 793 | I | 37.4 | Very low | 34.3 | Very low | 162 Ų | 162 | 138 Ų | 138 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | | | trans | 177.8 | 161.9 | 146.5 | -97 | 158.2 | 0 | 0 | 0 | 111.7 | | |
| 794 | Y | 32.3 | Very low | 34.3 | Very low | 201 Ų | 201 | 133 Ų | 133 | 79% | 0.788 | 70% | 0.703 | S | S | * | * | | | trans | -44.5 | 157.6 | 176.1 | -68.9 | -102.9 | 0 | 0 | 0 | 116 | | |
| 795 | D | 31.5 | Very low | 34.2 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | cis | -149.3 | 173.3 | 12.8 | -142.9 | -30.6 | 0 | 0 | 0 | 113.2 | | |
| 796 | I | 33.3 | Very low | 34.3 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 69.6 | 109.3 | -178.7 | -50.8 | 176.8 | 0 | 0 | 0 | 113.5 | | |
| 797 | N | 34.8 | Very low | 34 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | cis | -159.6 | 128.5 | -2.4 | -119 | -16.3 | 0 | 0 | 0 | 112 | | |
| 798 | Y | 34.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | 64.4 | 143.7 | 152.1 | -80 | -124.6 | 0 | 0 | 0 | 121 | | |
| 799 | R | 31.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | | | cis | -171.7 | 130.1 | -22.6 | -118.7 | -158.9 | -165.4 | -163.7 | 2.3 | 111.3 | | |
| 800 | H | 36.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | 60.8 | 156.4 | 137.2 | -64 | 13.5 | 0 | 0 | 0 | 120.2 | | |
| 801 | S | 30.7 | Very low | 32.8 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | cis | -156.5 | 170.5 | -4.5 | -112.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 802 | P | 40 | Very low | 32.4 | Very low | 97 Ų | 97 | 151.4 Ų | 151.4 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | | | trans | -118 | -170.1 | -166.3 | 44.2 | -34.2 | 0 | 0 | 0 | 115.5 | | |
| 803 | H | 33.3 | Very low | 32.4 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | 154.3 | 132.1 | 140.6 | -80.5 | -52.2 | 0 | 0 | 0 | 111 | | |
| 804 | C | 29.4 | Very low | 31.9 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | | 81.2 | 149.8 | 57.4 | -73.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 805 | S | 31.4 | Very low | 31.9 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | cis | -177.3 | 160.4 | -23.2 | -97 | 0 | 0 | 0 | 0 | 111.5 | | |
| 806 | R | 34.4 | Very low | 31.9 | Very low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 75% | 0.754 | S | S | * | * | | | trans | 70.8 | 151.4 | 147.9 | -81.5 | 179.7 | 174.6 | 173.1 | -1.4 | 122.2 | | |
| 807 | T | 29.5 | Very low | 31.8 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | | | trans | -75.6 | 150.1 | 170 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 808 | L | 29.7 | Very low | 31.4 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | | | | 159.7 | 112.1 | 124 | -175 | 76 | 0 | 0 | 0 | 110.6 | | |
| 809 | K | 29.1 | Very low | 31.2 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | -155.1 | 117.7 | 166.6 | -79.5 | -160.9 | 178.4 | -173.2 | 0 | 113.8 | | |
| 810 | H | 29.6 | Very low | 31.2 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | | | | -125.1 | 145 | 115.7 | -71.3 | -90.6 | 0 | 0 | 0 | 104.5 | | |
| 811 | I | 30.5 | Very low | 30.9 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | S | Bend | cis | -143.6 | 156.8 | 45.5 | -79.7 | 170.3 | 0 | 0 | 0 | 110.9 | | |
| 812 | H | 28.7 | Very low | 30.8 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | 67.9 | 142.7 | 166.6 | -74.6 | -41.1 | 0 | 0 | 0 | 121.6 | | |
| 813 | Q | 32 | Very low | 30.2 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | 72.1 | 122.1 | 156.5 | -69.7 | 170.7 | 14.6 | 0 | 0 | 120.3 | | |
| 814 | S | 27.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -64.4 | -176.6 | 168 | -23.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 815 | P | 33 | Very low | 30.2 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -138.8 | -166.4 | -0.9 | 28.6 | -2.9 | 0 | 0 | 0 | 115 | | |
| 816 | T | 30.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | 70.7 | 105.6 | 143 | 34.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 817 | T | 31.3 | Very low | 30 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | | | | 60.2 | 112.8 | 122.4 | 57.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 818 | T | 27.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | | 59.4 | 143.3 | 107.6 | -29.8 | 0 | 0 | 0 | 0 | 122 | | |
| 819 | T | 29.1 | Very low | 30 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 111 | 145 | 133.2 | -7.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 820 | T | 31.1 | Very low | 30.1 | Very low | 112 Ų | 112 | 134 Ų | 134 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | 66 | 112.6 | 153.5 | 41 | 0 | 0 | 0 | 0 | 117.8 | | |
| 821 | T | 30.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | | 67.4 | 149.4 | 72 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 822 | T | 29.1 | Very low | 30.6 | Very low | 103 Ų | 103 | 129 Ų | 129 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | | | cis | -174.5 | 151.5 | -7.7 | 26.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 823 | N | 26.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | | | trans | 65.4 | 167.8 | 165.8 | -45.6 | -27.4 | 0 | 0 | 0 | 113 | | |
| 824 | T | 35.7 | Very low | 31.3 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | | | cis | -137 | 162.3 | 15.5 | 36.2 | 0 | 0 | 0 | 0 | 113 | | |
| 825 | T | 28.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | | | trans | -90.3 | 155.5 | 170.6 | 48.5 | 0 | 0 | 0 | 0 | 112 | | |
| 826 | T | 30.8 | Very low | 32.2 | Very low | 132 Ų | 132 | 125 Ų | 125 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | | | trans | 176.6 | 152.3 | 131.5 | 23.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 827 | C | 28.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 124 Ų | 124 | 72% | 0.716 | 74% | 0.735 | S | S | * | * | | | trans | 52.6 | 114.2 | 153.8 | -58.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 828 | T | 28.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | | | cis | 86.3 | 134.7 | 42.2 | 66.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 829 | F | 31.4 | Very low | 32.8 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | | -175.2 | 110.3 | 127.3 | -115.2 | -90.7 | 0 | 0 | 0 | 112.6 | | |
| 830 | F | 32 | Very low | 33 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 77% | 0.772 | 74% | 0.743 | S | S | * | * | | | trans | 64.5 | 141.8 | 155.5 | -75.7 | -123.3 | 0 | 0 | 0 | 119.2 | | |
| 831 | T | 34.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | cis | -139.9 | 131.2 | 11.2 | 15.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 832 | T | 35.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | | | trans | 37.5 | 140.9 | 137.2 | 58.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 833 | I | 40 | Very low | 33.2 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | | | cis | -163.4 | 147.5 | 6.2 | -118.8 | 163 | 0 | 0 | 0 | 111.7 | | |
| 834 | S | 33.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | 52.3 | 149.4 | 157.8 | -64.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 835 | T | 40.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | cis | -175.1 | 152.6 | -18.3 | 30.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 836 | T | 39.5 | Very low | 33.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | cis | -175.1 | 145 | -40.2 | 16.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 837 | A | 36.7 | Very low | 33.3 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | 68 | 154.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 838 | M | 34.4 | Very low | 33.6 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | cis | -164.4 | 158.3 | -37.9 | -121.4 | 171 | -167.8 | 0 | 0 | 113.3 | | |
| 839 | M | 29.9 | Very low | 33.8 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | -25.1 | 150.7 | 153.5 | -59.2 | 179.8 | -79.1 | 0 | 0 | 117.7 | | |
| 840 | I | 33.8 | Very low | 33.9 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | cis | 81 | 128.1 | 37.6 | -55.2 | 163.3 | 0 | 0 | 0 | 111.5 | | |
| 841 | T | 32.8 | Very low | 34 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | | -179.1 | 111.8 | 89.3 | -50.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 842 | T | 32.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | 67.8 | -179 | 152.9 | 68.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 843 | K | 29.2 | Very low | 33.9 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | cis | -167.9 | 147.2 | 16 | -143.8 | 162 | -171 | 173.1 | 0 | 114.6 | | |
| 844 | T | 29.4 | Very low | 33.5 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 59.3 | 155.3 | 154.3 | 41.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 845 | S | 33.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | cis | -143.1 | 171.9 | 21.1 | -68 | 0 | 0 | 0 | 0 | 115 | | |
| 846 | T | 28.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | trans | -58.7 | 155.4 | -178 | 50.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 847 | T | 33.4 | Very low | 32.5 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | | -170.5 | 146.3 | 123.9 | 13.5 | 0 | 0 | 0 | 0 | 116 | | |
| 848 | T | 35 | Very low | 32.2 | Very low | 141 Ų | 141 | 129 Ų | 129 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | trans | 69.9 | 166 | 161.3 | 10.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 849 | S | 32.8 | Very low | 32 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -130.3 | 160.9 | -149.1 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 850 | G | 33.6 | Very low | 32.1 | Very low | 63 Ų | 63 | 122.7 Ų | 122.7 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | 156.6 | 95.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 851 | N | 33.6 | Very low | 31.9 | Very low | 172 Ų | 172 | 122.7 Ų | 122.7 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | | | | 177.5 | 146.1 | 112.8 | -91.1 | -18.7 | 0 | 0 | 0 | 113.6 | | |
| 852 | I | 33.9 | Very low | 31.9 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | -108.9 | 154.7 | 168.7 | -63.2 | 163.4 | 0 | 0 | 0 | 107 | | |
| 853 | T | 34.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | trans | 156 | 96.7 | 131.5 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 854 | I | 32.4 | Very low | 32.1 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | 50.1 | 134.1 | 126.9 | -56.6 | 170 | 0 | 0 | 0 | 119.9 | | |
| 855 | A | 28.3 | Very low | 32.3 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | | | trans | -106.1 | 159.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 856 | N | 32.1 | Very low | 32.2 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | | 174.1 | 144 | 125.4 | -92.3 | -10.4 | 0 | 0 | 0 | 115.6 | | |
| 857 | T | 32.5 | Very low | 32.8 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 54 | 127.4 | 137 | -47.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 858 | A | 30.1 | Very low | 32.7 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | -34.8 | 155.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 859 | A | 30.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | | -167 | 159.1 | 117.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 860 | G | 31.5 | Very low | 32.7 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -97 | 162.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 861 | L | 30.5 | Very low | 32.4 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | 67.3 | 112.9 | 162.5 | -70.2 | 165.2 | 0 | 0 | 0 | 120.5 | | |
| 862 | K | 31.6 | Very low | 32.4 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 73% | 0.726 | 78% | 0.783 | S | S | * | * | | | trans | 76.6 | 120.2 | 136.7 | -71.1 | 175.2 | 178 | 171 | 0 | 120.8 | | |
| 863 | R | 33.6 | Very low | 32.3 | Very low | 224 Ų | 224 | 135.9 Ų | 135.9 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | 75.3 | 84.2 | 142 | -65.6 | -168 | -80 | -152.9 | 2.2 | 119.7 | | |
| 864 | R | 31.9 | Very low | 32.3 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 77% | 0.773 | S | S | * | * | | | | 37.6 | 130 | 126.3 | -80.4 | -175 | 165 | -173.2 | -4.6 | 120.2 | | |
| 865 | R | 33.5 | Very low | 32.3 | Very low | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | | | trans | 83.3 | 120.6 | 165.2 | -62.2 | 178.4 | 170.9 | 169.2 | -4.4 | 115.8 | | |
| 866 | G | 32.7 | Very low | 32.5 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | -89.7 | -147.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 867 | P | 41.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -142.6 | -178.9 | 23.6 | 40.6 | -20.7 | 0 | 0 | 0 | 117.6 | | |
| 868 | S | 30.9 | Very low | 32.6 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 65.6 | 146.6 | 146.8 | 57 | 0 | 0 | 0 | 0 | 122.3 | | |
| 869 | G | 34.2 | Very low | 32.9 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 128 | 61 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 870 | E | 34 | Very low | 33.2 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | | | | 78.6 | 115.1 | 85.9 | -69.7 | -167.3 | 164.2 | 0 | 0 | 115 | | |
| 871 | C | 26.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -93.1 | 158.6 | 172.6 | -46 | 0 | 0 | 0 | 0 | 111 | | |
| 872 | N | 33.2 | Very low | 33.6 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | 174.4 | 156.2 | 160.5 | -90.3 | -20.6 | 0 | 0 | 0 | 107.2 | | |
| 873 | N | 32.2 | Very low | 33.8 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 54% | 0.54 | 74% | 0.735 | S | S | . | * | | | cis | -170.9 | -164.9 | -15.7 | -107.5 | -6.6 | 0 | 0 | 0 | 106.3 | | |
| 874 | Q | 35.6 | Very low | 34 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | | | cis | -160.7 | 117.2 | 19.8 | -161.8 | 81.7 | 46.3 | 0 | 0 | 111.4 | | |
| 875 | Y | 32.4 | Very low | 34 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | | | trans | 52.7 | 163.9 | 139.1 | -71.4 | -100.4 | 0 | 0 | 0 | 121.2 | | |
| 876 | C | 32 | Very low | 34.1 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | | | cis | -157 | 138.2 | 24.8 | -135.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 877 | R | 33.5 | Very low | 34.3 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | | | trans | 68.2 | 151 | 140.3 | -70 | 178.4 | 171.5 | -98 | 3 | 120.2 | | |
| 878 | D | 33.7 | Very low | 34 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | | | cis | -158 | 153.6 | -6.4 | -106.5 | -29.4 | 0 | 0 | 0 | 110.1 | | |
| 879 | T | 36.4 | Very low | 34.2 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | | | trans | 46.3 | 141.3 | 153.2 | 56.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 880 | D | 35.3 | Very low | 34.2 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | cis | -161.9 | 166.9 | -0 | -107.4 | -30.3 | 0 | 0 | 0 | 111.4 | | |
| 881 | F | 34.8 | Very low | 34.2 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 73% | 0.728 | 69% | 0.689 | S | S | * | * | | | trans | -18.4 | 140.3 | 165.2 | -67 | -100.3 | 0 | 0 | 0 | 118.4 | | |
| 882 | H | 37.3 | Very low | 34.5 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | | | | -178.5 | 154.1 | 59.8 | -115.2 | -58.6 | 0 | 0 | 0 | 114.2 | | |
| 883 | N | 36 | Very low | 34.4 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | | | trans | 51.2 | 118.4 | 146.7 | -76.8 | 39.4 | 0 | 0 | 0 | 125.7 | | |
| 884 | E | 36.5 | Very low | 34.4 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | | | | 79.7 | 122.4 | 121.2 | -67.7 | 178 | 134.9 | 0 | 0 | 124 | | |
| 885 | S | 33.4 | Very low | 34.3 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | | | trans | 75.6 | 133.8 | 143.7 | 79.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 886 | N | 35.4 | Very low | 34.5 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | | | cis | -155.6 | 169.2 | 33.6 | -72.7 | -87.6 | 0 | 0 | 0 | 112.7 | | |
| 887 | N | 36.7 | Very low | 34.5 | Very low | 131 Ų | 131 | 144 Ų | 144 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | | | trans | 68.5 | 139.1 | 158.3 | -60.4 | -22.7 | 0 | 0 | 0 | 117.5 | | |
| 888 | Y | 34.3 | Very low | 34.5 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | | | cis | -137.8 | 155.3 | 7.6 | -105.3 | -72.9 | 0 | 0 | 0 | 112 | | |
| 889 | H | 35.1 | Very low | 34.3 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | | | trans | 48.2 | 114.6 | 152.8 | -69.7 | -31.1 | 0 | 0 | 0 | 119.9 | | |
| 890 | H | 33.9 | Very low | 34.1 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | | | cis | 54.1 | 134.7 | 32.4 | -95.1 | -22.8 | 0 | 0 | 0 | 113.6 | | |
| 891 | H | 33.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 68% | 0.681 | 72% | 0.715 | S | S | * | * | | | cis | -169.7 | 174.9 | -7.2 | -144.8 | 8.2 | 0 | 0 | 0 | 110.5 | | |
| 892 | T | 33 | Very low | 33.7 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 46% | 0.46 | 71% | 0.706 | S | S | . | * | | | trans | 42.4 | 119 | 151.5 | 50.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 893 | H | 31.4 | Very low | 33.4 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | | | | 64 | 126.9 | 114 | -125.5 | -100.1 | 0 | 0 | 0 | 121.9 | | |
| 894 | E | 31.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | | | trans | 60 | 147.9 | 167.4 | -73.8 | 151.2 | 152.5 | 0 | 0 | 116.2 | | |
| 895 | E | 35 | Very low | 32.9 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | cis | -147.9 | 177.2 | 15.2 | -145.4 | 174.8 | 176.9 | 0 | 0 | 111.9 | | |
| 896 | E | 35.1 | Very low | 32.8 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | | | trans | 20.7 | 110.6 | 162.1 | -74 | -116.2 | 122.4 | 0 | 0 | 122.7 | | |
| 897 | R | 32.2 | Very low | 32.3 | Very low | 190 Ų | 190 | 154 Ų | 154 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | | 74.3 | 151.9 | 107.7 | -157.1 | 172.5 | -178.4 | 173 | 1.5 | 120.4 | | |
| 898 | K | 34 | Very low | 32.1 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | 75.6 | 156 | 176.7 | -53.4 | 176.1 | -173.8 | 168.3 | 0 | 114.2 | | |
| 899 | Q | 29.4 | Very low | 31.7 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | cis | -161.3 | 134.6 | -11.7 | -119.6 | 166.7 | -34.4 | 0 | 0 | 109.6 | | |
| 900 | L | 31.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | | | trans | -158.4 | 143.9 | 158.7 | -63.9 | -179.8 | 0 | 0 | 0 | 105.8 | | |
| 901 | L | 31 | Very low | 30.6 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | cis | -148.4 | 180 | -3.1 | -142 | 70.3 | 0 | 0 | 0 | 105.4 | | |
| 902 | A | 32.1 | Very low | 30.3 | Very low | 65 Ų | 65 | 147 Ų | 147 | 54% | 0.537 | 76% | 0.76 | S | S | . | * | | | cis | -157.9 | -176.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 903 | H | 30.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | 67.6 | 132.4 | -179.9 | -60.3 | -95.8 | 0 | 0 | 0 | 114.8 | | |
| 904 | E | 31.9 | Very low | 30 | Very low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | cis | -144.6 | 161.8 | 9.9 | -135.3 | 156 | -149.7 | 0 | 0 | 111.7 | | |
| 905 | E | 30.3 | Very low | 29.9 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 48.8 | 110.1 | 173.6 | -53.9 | -168.4 | 139 | 0 | 0 | 118.5 | | |
| 906 | L | 31.3 | Very low | 29.4 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | | | | 83.4 | 139 | 55.8 | -68.8 | 167.4 | 0 | 0 | 0 | 116.4 | | |
| 907 | L | 23.8 | Very low | 29.2 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -101 | -173.1 | -168.9 | -58.9 | 79 | 0 | 0 | 0 | 110.5 | | |
| 908 | P | 34.1 | Very low | 29 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | cis | -143.2 | 170.4 | 2.7 | 42.1 | -21.9 | 0 | 0 | 0 | 119.4 | | |
| 909 | C | 24.8 | Very low | 29 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | | | trans | 33.1 | 115.1 | 149.7 | -70 | 0 | 0 | 0 | 0 | 123.9 | | |
| 910 | N | 24.4 | Very low | 29 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | trans | 55.7 | 128.8 | 134.2 | -90.7 | -0.5 | 0 | 0 | 0 | 123 | | |
| 911 | C | 21.7 | Very low | 29 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 64.1 | 83.3 | 151.3 | -66.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 912 | C | 28.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | | | trans | -154.6 | 136.9 | 135.8 | -108.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 913 | M | 28 | Very low | 29.4 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | | | trans | 55 | 113.8 | 139.2 | -62.6 | -69.6 | -85.3 | 0 | 0 | 121.9 | | |
| 914 | F | 30.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | | | trans | 71.8 | 147 | 139.8 | -83.9 | -133.9 | 0 | 0 | 0 | 119.4 | | |
| 915 | K | 27.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 55% | 0.548 | 71% | 0.712 | S | S | . | * | | | cis | -172.8 | 120.2 | -29.9 | -126.9 | -172.7 | -158.8 | 158.8 | 0 | 108.4 | | |
| 916 | R | 25 | Very low | 29.8 | Very low | 216 Ų | 216 | 134.4 Ų | 134.4 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | | | trans | 63.2 | 151.7 | 165.7 | -51.9 | 166.2 | 178.9 | 167.4 | -5.4 | 114 | | |
| 917 | T | 30.1 | Very low | 30 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | | | cis | -92 | 128.4 | -1.3 | 44.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 918 | T | 29.6 | Very low | 30.4 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 58% | 0.577 | 70% | 0.704 | S | S | * | * | | | | 74.9 | 142.2 | 75.7 | -36.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 919 | D | 32.4 | Very low | 30.4 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | | | trans | 74.1 | 108.8 | 171.7 | -57.4 | -42 | 0 | 0 | 0 | 116.6 | | |
| 920 | Q | 30.4 | Very low | 30.5 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | | 77.8 | 115.5 | 53.4 | -74.8 | -169.5 | 83.9 | 0 | 0 | 112.2 | | |
| 921 | L | 30.8 | Very low | 30.7 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 53% | 0.534 | 70% | 0.7 | S | S | . | * | | | trans | 64.1 | -171.4 | 135.9 | -54.8 | 174.6 | 0 | 0 | 0 | 113.3 | N923 | L921-N923 WeakPolarHBondContact CD2-OD1 3.27Š|
| 922 | K | 38.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 133 Ų | 133 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | | | cis | -101.4 | 126.8 | -23.2 | -116.5 | 105.2 | -176.9 | 167.8 | 0 | 106.2 | | |
| 923 | N | 33.5 | Very low | 31 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 49% | 0.492 | 69% | 0.693 | S | S | . | * | | | | 66.3 | 135.2 | 87.9 | -70.3 | 20 | 0 | 0 | 0 | 112.8 | L921 | L921-N923 WeakPolarHBondContact CD2-OD1 3.27Š|
| 924 | N | 30.2 | Very low | 31.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 56% | 0.556 | 70% | 0.698 | S | S | * | * | | | | 36.6 | 139.1 | 116.2 | -25.7 | -10.7 | 0 | 0 | 0 | 117.6 | | |
| 925 | H | 38.8 | Very low | 31.2 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | | | cis | -126.3 | 139.5 | 27.3 | -84.9 | -73.4 | 0 | 0 | 0 | 111.3 | | |
| 926 | D | 31.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | | | | 46.8 | 112.2 | 85.3 | -56.5 | -51.3 | 0 | 0 | 0 | 111.9 | | |
| 927 | G | 35.5 | Very low | 31.5 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | | | trans | -72.8 | 160.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 928 | K | 33 | Very low | 31.4 | Very low | 200 Ų | 200 | 134.3 Ų | 134.3 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | | | trans | -129.5 | 128.7 | 151.3 | -86.3 | -173.9 | 175.7 | 177.5 | 0 | 109.6 | | |
| 929 | S | 33.2 | Very low | 31.3 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | 35.1 | 117.4 | 147.9 | 57.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 930 | L | 27.8 | Very low | 31 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 91% | 0.911 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -56.7 | 138.7 | 131.4 | -82.1 | 153.5 | 0 | 0 | 0 | 108.2 | | |
| 931 | S | 28.4 | Very low | 30.9 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | cis | -149.5 | 120.1 | 10.6 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 932 | D | 32.9 | Very low | 30.9 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -151.8 | 102.8 | 143.9 | -104.7 | -33.2 | 0 | 0 | 0 | 109.9 | | |
| 933 | I | 24.8 | Very low | 30.6 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | trans | 69.6 | 130.8 | 145.4 | -58 | 163.2 | 0 | 0 | 0 | 118.5 | | |
| 934 | E | 31.2 | Very low | 30.5 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | | | trans | 62 | 165.4 | 168 | -71.8 | 165.6 | -151.2 | 0 | 0 | 117 | | |
| 935 | H | 29.8 | Very low | 30.4 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 73% | 0.731 | 74% | 0.74 | S | S | * | * | | | | -156.1 | 149.8 | -56.6 | -119 | -38.6 | 0 | 0 | 0 | 107.9 | | |
| 936 | L | 30.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 67% | 0.665 | 74% | 0.739 | S | S | * | * | | | trans | 46.9 | 127.6 | 144.2 | -64.3 | 162.8 | 0 | 0 | 0 | 122.3 | | |
| 937 | N | 29.6 | Very low | 30.1 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | | 73.3 | 131.1 | 129.7 | -66.4 | -8.5 | 0 | 0 | 0 | 123.6 | | |
| 938 | Y | 27.9 | Very low | 29.8 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | | 94.4 | 134.9 | 126.9 | -100.5 | -130.2 | 0 | 0 | 0 | 122.8 | | |
| 939 | M | 27.1 | Very low | 29.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 64% | 0.635 | 74% | 0.736 | S | S | * | * | | | trans | 45.1 | 120.2 | 146.9 | -61.9 | -72 | 98.4 | 0 | 0 | 118.9 | | |
| 940 | S | 26.6 | Very low | 29.7 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | | 64.5 | 126.7 | 58.3 | -51.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 941 | T | 26.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | | | trans | -167.4 | -178.6 | 157.4 | 5.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 942 | I | 31.6 | Very low | 30 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | cis | -156.9 | 153.6 | 21.1 | 3.7 | 173.9 | 0 | 0 | 0 | 104.8 | | |
| 943 | L | 31.9 | Very low | 30 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -130.3 | 166 | 3.3 | -64.5 | 93.9 | 0 | 0 | 0 | 107.8 | | |
| 944 | S | 30.2 | Very low | 30.1 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -150.5 | 137.3 | 27.7 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 945 | N | 29.3 | Very low | 30.1 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | | | trans | 59.6 | 133.4 | 152.5 | -49 | -17.3 | 0 | 0 | 0 | 119.2 | | |
| 946 | S | 31.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | cis | -174.5 | 137 | -18.9 | 43.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 947 | R | 31.4 | Very low | 30 | Very low | 231 Ų | 231 | 142.4 Ų | 142.4 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | | | trans | 64.6 | 107.3 | 161.6 | -68.3 | 178.8 | 171.2 | 167.9 | -4 | 118.8 | | |
| 948 | L | 30.4 | Very low | 30 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | | 66.8 | 131.2 | 114.4 | -69.2 | 170 | 0 | 0 | 0 | 121.7 | | |
| 949 | D | 31.7 | Very low | 30.1 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | trans | 84.1 | 138.9 | 140.5 | -54.4 | -21 | 0 | 0 | 0 | 123.6 | | |
| 950 | D | 32.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | 72.1 | 103.5 | 152.6 | -67.6 | -14.8 | 0 | 0 | 0 | 124.7 | | |
| 951 | T | 30.5 | Very low | 30.3 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | | | | 70.4 | 131.8 | 129.8 | 59.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 952 | L | 31.3 | Very low | 30.4 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | 63.3 | 166.7 | 154.8 | -91.3 | 62.8 | 0 | 0 | 0 | 115.9 | | |
| 953 | D | 32.4 | Very low | 30.4 | Very low | 138 Ų | 138 | 153 Ų | 153 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | cis | -138 | 176.8 | 1.3 | -153.1 | -11.4 | 0 | 0 | 0 | 111.5 | | |
| 954 | C | 26.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 152.9 Ų | 152.9 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | | | trans | -78.3 | -175.1 | 170.3 | -79.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 955 | H | 31.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 156.7 Ų | 156.7 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | | | trans | 87.8 | 99.4 | 159.1 | -68.1 | -78.3 | 0 | 0 | 0 | 121.3 | | |
| 956 | H | 30.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 154.3 Ų | 154.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | | 82.6 | 113.6 | 115.6 | -84.5 | 44.7 | 0 | 0 | 0 | 121.9 | | |
| 957 | R | 29.7 | Very low | 30.5 | Very low | 225 Ų | 225 | 155.6 Ų | 155.6 | 85% | 0.849 | 76% | 0.757 | S | S | * | * | | | | 79 | 122.6 | 121.8 | -155 | 175.7 | -164.9 | 175.5 | 4.6 | 118.5 | | |
| 958 | H | 28.2 | Very low | 30.3 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | trans | -51.7 | 142.7 | 173.9 | -53.9 | -94.1 | 0 | 0 | 0 | 113.9 | | |
| 959 | H | 31 | Very low | 30.2 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | | | | -160.6 | 156.7 | 100.7 | -108.3 | -83.6 | 0 | 0 | 0 | 113.1 | | |
| 960 | Y | 27.1 | Very low | 30.2 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -58.4 | 137.2 | -173.8 | -72.6 | -112.7 | 0 | 0 | 0 | 115.1 | | |
| 961 | H | 31.3 | Very low | 30.2 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | | -168.8 | 151 | 91.7 | -114.1 | -82.9 | 0 | 0 | 0 | 113.2 | | |
| 962 | Q | 29 | Very low | 30.1 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | -93.1 | 149.5 | 170.1 | -66.5 | 174.5 | -30.3 | 0 | 0 | 111 | | |
| 963 | H | 31.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | | -172.9 | 130.6 | 127.1 | -106.4 | -77.3 | 0 | 0 | 0 | 111.5 | | |
| 964 | H | 31.9 | Very low | 30 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | | | trans | 53.2 | 123.1 | 168 | -54.8 | -64 | 0 | 0 | 0 | 118.5 | | |
| 965 | Q | 30.6 | Very low | 30 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | | 55.1 | 123.5 | 64.4 | -60.5 | 174.2 | -27.2 | 0 | 0 | 111.6 | | |
| 966 | S | 30.9 | Very low | 29.7 | Very low | 98 Ų | 98 | 158.3 Ų | 158.3 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | cis | -168.2 | 152.7 | 17.9 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 967 | T | 31.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | 55.1 | 145.7 | 148.6 | 54 | 0 | 0 | 0 | 0 | 121.5 | | |
| 968 | C | 27.4 | Very low | 29.7 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | cis | -172.2 | 157 | -24.9 | -115.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 969 | Q | 29.6 | Very low | 29.9 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | 68.9 | 104.2 | 156.1 | -68.1 | -177.3 | -7 | 0 | 0 | 122.2 | | |
| 970 | C | 30.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 148 Ų | 148 | 72% | 0.716 | 75% | 0.745 | S | S | * | * | | | | 79.8 | 109.4 | 117.3 | -61 | 0 | 0 | 0 | 0 | 123.3 | | |
| 971 | H | 32.7 | Very low | 30.5 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | | | trans | 61.1 | 100.6 | 134.4 | -74.4 | -67.3 | 0 | 0 | 0 | 122.7 | | |
| 972 | D | 28.1 | Very low | 30.6 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | | | | 73.6 | 158.4 | 117.4 | -78.9 | -50.1 | 0 | 0 | 0 | 123.6 | | |
| 973 | V | 32.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | 75.6 | 96.1 | 173.8 | -166.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 974 | Q | 30.1 | Very low | 30.8 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | trans | 50.3 | 101.6 | 143.6 | -58.3 | 175.5 | -6.5 | 0 | 0 | 118.4 | | |
| 975 | R | 25.2 | Very low | 30.7 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | | | | 77.7 | 115.4 | 71.7 | -81.6 | -170.6 | 170 | -137.9 | 0.3 | 116.3 | | |
| 976 | H | 26.3 | Very low | 30.8 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 73% | 0.73 | S | S | * | * | | | trans | 65.5 | 165 | 156.5 | -45.2 | -43.1 | 0 | 0 | 0 | 114.5 | | |
| 977 | S | 27.7 | Very low | 30.9 | Very low | 80 Ų | 80 | 137.5 Ų | 137.5 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | | | cis | -148.8 | -175.2 | 11.3 | 35.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 978 | M | 31.8 | Very low | 30.8 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 77% | 0.768 | 74% | 0.737 | S | S | * | * | | | | 162.1 | 152.9 | 87.7 | -76.6 | -169.4 | -162.6 | 0 | 0 | 106.1 | | |
| 979 | F | 31 | Very low | 31 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | cis | -173.6 | -175.9 | -9.8 | -109.2 | -36.9 | 0 | 0 | 0 | 107 | | |
| 980 | P | 39.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | cis | -132.7 | 165.4 | -27 | 33.2 | -16.1 | 0 | 0 | 0 | 114.5 | | |
| 981 | S | 32.3 | Very low | 31.5 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | | 161.8 | 123.2 | 115 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 982 | I | 32.7 | Very low | 31.3 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | | | trans | 59.3 | 122.2 | 137.1 | -58.6 | 171.7 | 0 | 0 | 0 | 117.5 | | |
| 983 | D | 32.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | cis | -159.3 | -178.4 | -4.8 | -129.3 | -38.6 | 0 | 0 | 0 | 114.4 | | |
| 984 | Q | 31.2 | Very low | 30.7 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | trans | -49.9 | 137.7 | -176.1 | -55.7 | 140.7 | 63.8 | 0 | 0 | 117.8 | | |
| 985 | H | 31.5 | Very low | 30.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | | 175.6 | -179.4 | 102.5 | -102.1 | -68.8 | 0 | 0 | 0 | 114.2 | | |
| 986 | S | 31.7 | Very low | 30.9 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -102 | 159.5 | -152.1 | -52.6 | 0 | 0 | 0 | 0 | 118 | | |
| 987 | S | 33 | Very low | 31.2 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | 104.1 | 111.8 | 143.2 | 73.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 988 | M | 29.8 | Very low | 31.3 | Very low | 172 Ų | 172 | 133 Ų | 133 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | | | trans | 47.3 | 105.1 | 138.2 | -57.8 | 172.8 | 77.4 | 0 | 0 | 118.7 | | |
| 989 | I | 30.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | | | | 49.6 | 122.7 | 65.2 | -52.6 | 176.4 | 0 | 0 | 0 | 111.9 | | |
| 990 | P | 39.8 | Very low | 31.2 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 55% | 0.552 | 75% | 0.752 | S | S | * | * | | | cis | -123.6 | -172.7 | 11.1 | 31.9 | -8.4 | 0 | 0 | 0 | 113 | K1037 | P990-K1037 PolarHBondContact O-NZ 3.29Š|
| 991 | S | 31.3 | Very low | 30.8 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | cis | -161.8 | -179.2 | 37.7 | -49.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 992 | Y | 29.2 | Very low | 30.7 | Very low | 231 Ų | 231 | 133.6 Ų | 133.6 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | -82.2 | 150.3 | -175.6 | -69.6 | -84.6 | 0 | 0 | 0 | 117.2 | | |
| 993 | S | 23 | Very low | 30.5 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -164.4 | 149.2 | 138.9 | -79.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 994 | C | 24 | Very low | 30.4 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | 65 | 155.5 | 173.6 | -51.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 995 | S | 27 | Very low | 30.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | cis | -142.9 | 159.9 | 14.2 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 996 | S | 33.2 | Very low | 30.4 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -82.7 | 146.3 | 165.6 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 997 | A | 31.4 | Very low | 30.5 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 46.9 | 110.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 998 | I | 30.8 | Very low | 30.3 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | 65.2 | 73.5 | 140.3 | -44.8 | 179.4 | 0 | 0 | 0 | 117.4 | | |
| 999 | S | 31.1 | Very low | 30.3 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | | | | 56.4 | 101.8 | 117.6 | -178.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1000 | K | 30.2 | Very low | 30.2 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | 73.5 | 139.9 | 136.1 | -60.5 | 173.5 | -170.2 | 174 | 0 | 117.3 | | |
| 1001 | C | 29.7 | Very low | 29.6 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 66% | 0.655 | 77% | 0.769 | S | S | * | * | | | cis | -159.8 | 148.3 | 4.4 | -123.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1002 | L | 30.8 | Very low | 29.7 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 52 | 139.5 | 149.6 | -61.5 | 160.1 | 0 | 0 | 0 | 119.5 | | |
| 1003 | S | 28 | Very low | 29.8 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | cis | -177.2 | -178.3 | -12.7 | 44.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1004 | V | 30.9 | Very low | 30.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | 86.5 | 104.2 | 163 | -177.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1005 | F | 33.3 | Very low | 30.9 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 80% | 0.803 | 75% | 0.754 | S | S | * | * | | | trans | 69 | 104.3 | 146.6 | -77.6 | -112.3 | 0 | 0 | 0 | 123.7 | | |
| 1006 | D | 30.6 | Very low | 31.3 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | | 72.8 | 172.4 | 104.2 | -142.7 | -4 | 0 | 0 | 0 | 122 | | |
| 1007 | A | 32.1 | Very low | 31.2 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | 83.4 | 90.6 | 174 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1008 | H | 29.9 | Very low | 31.5 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -49.7 | 154.6 | 169 | -89.9 | -72 | 0 | 0 | 0 | 119.8 | | |
| 1009 | K | 30.1 | Very low | 31.6 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | | | trans | 68 | 120.8 | 136.8 | -73.9 | 173.7 | 178.4 | 177.9 | 0 | 121.8 | | |
| 1010 | C | 26.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | | 29.1 | 121.9 | 125.7 | -46.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1011 | Q | 27.3 | Very low | 31.8 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -154.7 | 155.7 | 131.7 | -161.6 | 62.5 | -1.3 | 0 | 0 | 110.1 | | |
| 1012 | D | 33.1 | Very low | 32 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | 149.8 | 134 | 146.2 | -78.6 | -13.7 | 0 | 0 | 0 | 110 | | |
| 1013 | N | 31.8 | Very low | 32 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | cis | -92.7 | 150.6 | 6.7 | -49.1 | -53.1 | 0 | 0 | 0 | 111.6 | | |
| 1014 | A | 34.8 | Very low | 32 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 54% | 0.537 | 76% | 0.76 | S | S | . | * | | | cis | 83.2 | 84.2 | 20 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1015 | T | 36 | Very low | 32 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -137.4 | 133.4 | 146.6 | 40.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1016 | L | 35.4 | Very low | 31.8 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -73.7 | 144 | -174.7 | -62.1 | 97.2 | 0 | 0 | 0 | 110.6 | | |
| 1017 | I | 31.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | | 73.8 | 102.5 | 50.3 | -58 | 172.1 | 0 | 0 | 0 | 113.6 | | |
| 1018 | E | 36 | Very low | 31.9 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -161.8 | 111.7 | 130.8 | -94.1 | -179.5 | 152.9 | 0 | 0 | 104.9 | | |
| 1019 | S | 33.8 | Very low | 31.9 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | | 56.4 | 126.2 | 88.5 | 56.3 | 0 | 0 | 0 | 0 | 114 | | |
| 1020 | D | 32.3 | Very low | 31.9 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | cis | -153.8 | 173.8 | 17.5 | -88.4 | -38.4 | 0 | 0 | 0 | 113.8 | | |
| 1021 | I | 33.1 | Very low | 32 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | trans | 72.8 | 121 | 168.3 | -55.7 | 142.1 | 0 | 0 | 0 | 114.2 | | |
| 1022 | H | 33.4 | Very low | 32 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | cis | -150.1 | 153.5 | 31.8 | -128.7 | -58.4 | 0 | 0 | 0 | 112.3 | | |
| 1023 | D | 32.2 | Very low | 31.7 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | 44.8 | 106.5 | 156.9 | -63.6 | 8.1 | 0 | 0 | 0 | 121.6 | | |
| 1024 | E | 26.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | | | trans | -73.8 | 152.9 | 138.2 | -66.5 | -166.4 | 159.5 | 0 | 0 | 110.5 | | |
| 1025 | H | 31.8 | Very low | 31.1 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | | -170.7 | 128.9 | 125.8 | -108.4 | -54.1 | 0 | 0 | 0 | 114.2 | | |
| 1026 | Y | 29.9 | Very low | 31.1 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 70% | 0.698 | 76% | 0.76 | S | S | * | * | | | trans | 65.8 | 149.2 | 155.8 | -63 | -54.1 | 0 | 0 | 0 | 118.7 | | |
| 1027 | H | 31.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 141 Ų | 141 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | cis | -149.8 | 140 | 0.8 | -122.4 | -62.4 | 0 | 0 | 0 | 111 | | |
| 1028 | Y | 31.4 | Very low | 30.6 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | 78.4 | 130.2 | 145 | -94.6 | -148 | 0 | 0 | 0 | 124.7 | | |
| 1029 | L | 30.9 | Very low | 30 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 75.2 | 67.9 | 142.1 | -61.8 | 176.5 | 0 | 0 | 0 | 121.5 | | |
| 1030 | S | 29.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | | 22.4 | 109.1 | 118.1 | -178.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1031 | S | 28.7 | Very low | 29.7 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | | 33.7 | 128.7 | 124.9 | -55.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1032 | T | 26.8 | Very low | 29.4 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | | | trans | -38.2 | 156.3 | 146 | 34.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1033 | A | 26.7 | Very low | 29.3 | Very low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | cis | -166.3 | 164.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1034 | S | 26.5 | Very low | 29 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -176.9 | 157 | 139.4 | -89.3 | 0 | 0 | 0 | 0 | 115 | | |
| 1035 | S | 29.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | 73.6 | 141.2 | 163.1 | 77.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1036 | I | 34.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 141 Ų | 141 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | | | trans | -117 | 127.7 | 172.3 | -65.3 | 172.2 | 0 | 0 | 0 | 108 | | |
| 1037 | K | 30.8 | Very low | 29 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 60% | 0.6 | 77% | 0.765 | S | S | * | * | | | trans | -154.6 | 129.4 | 159.8 | -122 | -172.4 | 177.1 | -172.3 | 0 | 110.4 | P990 | P990-K1037 PolarHBondContact O-NZ 3.29Š|
| 1038 | H | 27.7 | Very low | 28.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | trans | 56.7 | 95.5 | 172.3 | -53.6 | -76.2 | 0 | 0 | 0 | 115.8 | | |
| 1039 | C | 22.8 | Very low | 28.6 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | | 70.8 | 98.6 | 61.2 | -56.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1040 | T | 32.4 | Very low | 28.5 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | | -157.5 | 105.8 | 117.8 | 20 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1041 | Q | 28.2 | Very low | 28.5 | Very low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | 21.2 | 113.1 | 154.1 | -62 | -179.2 | -10.1 | 0 | 0 | 120 | | |
| 1042 | P | 26.9 | Very low | 28.6 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | | | trans | -73.1 | 127.6 | 149.6 | 31.8 | -30.5 | 0 | 0 | 0 | 109.4 | | |
| 1043 | N | 29.7 | Very low | 29 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -126 | 146.4 | 169.7 | -151.1 | -20.6 | 0 | 0 | 0 | 108.6 | | |
| 1044 | L | 27.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | trans | -61.6 | 135.9 | -162.1 | -88.8 | 65.8 | 0 | 0 | 0 | 114.3 | | |
| 1045 | K | 32.2 | Very low | 29.6 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | trans | 169.7 | 150.9 | 138.9 | -92.6 | 149.9 | -172.9 | 176.7 | 0 | 110.5 | | |
| 1046 | N | 27.5 | Very low | 29.8 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | cis | -167.6 | 147.2 | -36 | -139.2 | 21.2 | 0 | 0 | 0 | 107.3 | | |
| 1047 | T | 26.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | trans | 50.6 | 118.7 | 152.4 | -24.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1048 | T | 29.5 | Very low | 29.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | | 163.8 | 95.3 | 106.3 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1049 | L | 25.6 | Very low | 30.1 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | | 25.9 | 117 | 128.1 | -72 | 169.3 | 0 | 0 | 0 | 120.6 | | |
| 1050 | M | 28.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | | | | 162.8 | 133.1 | 96.2 | -86.1 | -126 | 176.1 | 0 | 0 | 115.6 | | |
| 1051 | M | 29.3 | Very low | 30.5 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | | | trans | 61.4 | 153.6 | 147.5 | -56.5 | -52.6 | -177.6 | 0 | 0 | 119.4 | | |
| 1052 | D | 31.5 | Very low | 30.5 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | | | cis | -156.3 | 165.3 | 20.1 | -150.4 | -0.1 | 0 | 0 | 0 | 115.4 | | |
| 1053 | N | 34.5 | Very low | 30.7 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 60% | 0.599 | 75% | 0.751 | S | S | * | * | | | trans | 72.6 | 110.9 | 158.7 | -66.5 | -64.8 | 0 | 0 | 0 | 123.9 | | |
| 1054 | N | 31.2 | Very low | 30.7 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | | 52.2 | 134.6 | 121.5 | -64.5 | -26 | 0 | 0 | 0 | 121.4 | | |
| 1055 | E | 35 | Very low | 30.9 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | cis | -145.3 | 175.4 | 19.6 | -69 | -165.3 | 149.8 | 0 | 0 | 114.5 | | |
| 1056 | N | 34 | Very low | 30.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | | | trans | 69.2 | 89.5 | 155.9 | -66.2 | -48.3 | 0 | 0 | 0 | 119.5 | | |
| 1057 | G | 35.6 | Very low | 30.9 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | | | trans | 170.6 | 75.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1058 | K | 31.9 | Very low | 30.8 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | trans | -63.1 | 144.3 | 171.7 | -66.1 | 178.9 | 179.7 | 176.3 | 0 | 110 | | |
| 1059 | I | 32.2 | Very low | 30.8 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | | | cis | -119.6 | 145.7 | 17.9 | -64 | 170.9 | 0 | 0 | 0 | 111.3 | | |
| 1060 | T | 31.8 | Very low | 30.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 58% | 0.583 | 76% | 0.76 | S | S | * | * | | | trans | -100.2 | 146.8 | -169.7 | -41.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1061 | E | 30.9 | Very low | 30.7 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | 22.4 | 130.3 | 156.4 | -65.4 | 143.4 | -153.4 | 0 | 0 | 120.7 | | |
| 1062 | A | 28.5 | Very low | 30.5 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | cis | 84.4 | 120.5 | 41.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1063 | V | 31.5 | Very low | 30.2 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -134.8 | 113.3 | 149.3 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1064 | N | 29.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 133 Ų | 133 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | | | trans | 10.8 | 147.8 | 139.8 | -73.1 | 46.9 | 0 | 0 | 0 | 120.1 | | |
| 1065 | D | 30.7 | Very low | 29.5 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | cis | -149.4 | 174.8 | 17 | -122.3 | -42.9 | 0 | 0 | 0 | 114.6 | | |
| 1066 | N | 30.4 | Very low | 29 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -87.8 | 149.2 | -161.5 | -72.9 | -67.4 | 0 | 0 | 0 | 118.1 | | |
| 1067 | S | 29 | Very low | 29.1 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 48.7 | 119 | 140.3 | 68.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1068 | C | 24.9 | Very low | 28.4 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 40 | 116.9 | 130.5 | -57.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1069 | S | 30.3 | Very low | 28.2 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | | -167.3 | 155.6 | 104 | -80.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1070 | V | 24.8 | Very low | 28.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | -105.7 | 117.5 | -174.6 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1071 | A | 26.8 | Very low | 28.1 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -157.6 | 141.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1072 | N | 24.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 147.7 | -174.5 | -57.6 | -43.9 | 0 | 0 | 0 | 113 | | |
| 1073 | S | 25.2 | Very low | 28.2 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | | 155 | 156.5 | 89.1 | -149.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1074 | L | 25.8 | Very low | 28.1 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | 56.2 | 103.5 | 152.2 | -72.9 | 154.7 | 0 | 0 | 0 | 120.8 | | |
| 1075 | R | 26.5 | Very low | 28.1 | Very low | 237 Ų | 237 | 139.5 Ų | 139.5 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | | | | -175.2 | 140 | 94.8 | -101.9 | -174.2 | 176.5 | -153.9 | -1.8 | 114.4 | | |
| 1076 | N | 24.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -83.7 | 167.5 | 165.7 | -61.2 | -1.2 | 0 | 0 | 0 | 111.3 | C1078 | N1076-C1078 PolarHBondContact ND2-SG 2.77Å; N1076-C1078 VanDerWaalsContact ND2-SG 3.38Å |
| 1077 | P | 34.7 | Very low | 27.8 | Very low | 133 Ų | 133 | 137 Ų | 137 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | | -105.6 | 145.4 | 127.5 | 33.5 | -30.4 | 0 | 0 | 0 | 111.1 | | |
| 1078 | C | 22.7 | Very low | 27.7 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 55% | 0.554 | 77% | 0.772 | S | S | * | * | | | trans | -126.7 | 172.1 | -174.9 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | N1076 | N1076-C1078 PolarHBondContact ND2-SG 2.77Å; N1076-C1078 VanDerWaalsContact ND2-SG 3.38Å |
| 1079 | Y | 26.4 | Very low | 27.9 | Very low | 219 Ų | 219 | 136.6 Ų | 136.6 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | | | trans | 75.5 | 149.8 | 167.4 | -66.3 | -74.6 | 0 | 0 | 0 | 116.2 | | |
| 1080 | I | 31.5 | Very low | 27.9 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | cis | -149.5 | 162.4 | 23.6 | -127.9 | 140.7 | 0 | 0 | 0 | 112.2 | | |
| 1081 | S | 31.8 | Very low | 28 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | 71.4 | 139.7 | 167.5 | -125.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1082 | S | 31.5 | Very low | 28.2 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | | | cis | -175.6 | 154 | -18.9 | 43.7 | 0 | 0 | 0 | 0 | 112 | | |
| 1083 | Y | 28.2 | Very low | 28.3 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | trans | 68.6 | 139.3 | 167.8 | -68 | -74.3 | 0 | 0 | 0 | 117.6 | | |
| 1084 | E | 30.9 | Very low | 28.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | | | cis | -162.8 | 145 | -9.3 | -168.4 | 156.9 | -123.6 | 0 | 0 | 112.6 | | |
| 1085 | H | 29.8 | Very low | 28.6 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | 56.9 | 153.6 | 161.4 | -73.8 | 4.2 | 0 | 0 | 0 | 121.4 | | |
| 1086 | C | 26.4 | Very low | 28.6 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | cis | -171.9 | 139.3 | -29.6 | -108.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1087 | S | 26.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | 48.6 | 158.4 | 151.6 | -50.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1088 | S | 28.1 | Very low | 28.5 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | cis | -147.2 | 146.7 | 4.9 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1089 | V | 29.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | | | trans | -41.2 | 139.2 | 155.2 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1090 | F | 29.4 | Very low | 29 | Very low | 194 Ų | 194 | 145 Ų | 145 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | | | | -174.5 | 161.8 | 109.3 | -104.6 | -72.3 | 0 | 0 | 0 | 113.6 | | |
| 1091 | S | 27.7 | Very low | 28.9 | Very low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -138.2 | 174.5 | -172.1 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1092 | E | 30.8 | Very low | 28.8 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | | | trans | 80.4 | 135.1 | 161.3 | -69.6 | 175.2 | -164.7 | 0 | 0 | 119.6 | | |
| 1093 | E | 27.1 | Very low | 28.9 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -93.8 | 129.3 | 174.8 | -54.8 | 167 | 125.7 | 0 | 0 | 108.7 | | |
| 1094 | N | 28.5 | Very low | 29.2 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | -160.6 | 164.7 | 146.6 | -117.9 | -69.4 | 0 | 0 | 0 | 113.2 | | |
| 1095 | L | 27.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | -96.7 | 157 | -157.7 | -92 | 78.3 | 0 | 0 | 0 | 115.6 | | |
| 1096 | I | 27.8 | Very low | 29.5 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | 71.6 | 103.8 | 160.6 | -55.3 | 138.2 | 0 | 0 | 0 | 116.4 | | |
| 1097 | H | 29.3 | Very low | 29.9 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | | -157.1 | 159.3 | 111.8 | -122.3 | -97.2 | 0 | 0 | 0 | 113.9 | | |
| 1098 | R | 26.8 | Very low | 30.1 | Very low | 193 Ų | 193 | 157.9 Ų | 157.9 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | trans | -58.6 | 148 | -176.8 | -54.5 | 163.5 | -176.4 | 156.5 | -0.8 | 111.8 | | |
| 1099 | Y | 29.2 | Very low | 30.3 | Very low | 185 Ų | 185 | 160.8 Ų | 160.8 | 73% | 0.725 | 79% | 0.786 | S | S | * | * | | | | -173.3 | 139.4 | 72.1 | -110.6 | -92.8 | 0 | 0 | 0 | 112.6 | | |
| 1100 | T | 31.6 | Very low | 30.4 | Very low | 105 Ų | 105 | 162.1 Ų | 162.1 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | | | trans | 43.7 | 142.7 | 145.6 | 54.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1101 | Y | 28.5 | Very low | 31 | Very low | 194 Ų | 194 | 159.9 Ų | 159.9 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | cis | -167 | 141.2 | -0.7 | -126.8 | -51.7 | 0 | 0 | 0 | 109.3 | | |
| 1102 | N | 29.3 | Very low | 31.5 | Very low | 139 Ų | 139 | 163 Ų | 163 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 62.1 | 155.7 | 160.9 | -66.8 | -12.7 | 0 | 0 | 0 | 118.1 | | |
| 1103 | E | 35 | Very low | 31.9 | Very low | 187 Ų | 187 | 160.7 Ų | 160.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | cis | -121.6 | 174.9 | 6.3 | -78.8 | -167 | 150.3 | 0 | 0 | 113.9 | | |
| 1104 | L | 33.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | | | trans | -79.9 | 141.9 | -178 | -68.7 | 157.6 | 0 | 0 | 0 | 113 | | |
| 1105 | G | 33.1 | Very low | 33.3 | Very low | 72 Ų | 72 | 158 Ų | 158 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -147.4 | 82.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1106 | K | 34.3 | Very low | 33.9 | Very low | 217 Ų | 217 | 158.7 Ų | 158.7 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | | | trans | 77.5 | 130.1 | 161.5 | -59 | -176 | 179.1 | -178.9 | 0 | 119.3 | | |
| 1107 | L | 33.9 | Very low | 34.2 | Very low | 152 Ų | 152 | 158.8 Ų | 158.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -86.9 | 154.9 | 178.1 | -74.4 | 151.8 | 0 | 0 | 0 | 111.7 | | |
| 1108 | Y | 31 | Very low | 34.4 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | 67 | 159.7 | 154.1 | -81.2 | -124.9 | 0 | 0 | 0 | 114.5 | M1110 | Y1108-M1110 HydrophobicContact CD1-CG 4.43Š|
| 1109 | E | 32.4 | Very low | 35.1 | Very low | 168 Ų | 168 | 154.4 Ų | 154.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | cis | -136.2 | 178.3 | 31.9 | -166.3 | 156 | -154.2 | 0 | 0 | 114.7 | | |
| 1110 | M | 32 | Very low | 35.9 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 67% | 0.665 | 74% | 0.742 | S | S | * | * | | | trans | -77.6 | 172.2 | -160.6 | -56 | 166 | -67.8 | 0 | 0 | 113.9 | Y1108 | Y1108-M1110 HydrophobicContact CD1-CG 4.43Š|
| 1111 | T | 41.5 | Very low | 36.1 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | | | trans | -128.1 | 143.8 | 155.1 | -34.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1112 | E | 38.9 | Very low | 36.6 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | -94.5 | 159.9 | -158.5 | -60.5 | 167.7 | 132.5 | 0 | 0 | 113.2 | | |
| 1113 | D | 38.9 | Very low | 37.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | | | trans | 50.1 | 139.3 | 139.4 | -63.8 | 3 | 0 | 0 | 0 | 120.7 | | |
| 1114 | E | 43.1 | Very low | 37.4 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | | | cis | -149.9 | 154 | 33.1 | -76.7 | -165.9 | 142.9 | 0 | 0 | 114.7 | | |
| 1115 | K | 42.2 | Very low | 37.5 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | | | trans | 56 | 125.3 | 137.1 | -66.2 | 161 | -167.2 | 160.1 | 0 | 120.3 | | |
| 1116 | E | 39 | Very low | 37.8 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | | | | 66.6 | 139.5 | 63.8 | -65.1 | -177.3 | -160.4 | 0 | 0 | 113.7 | | |
| 1117 | H | 34.4 | Very low | 37.8 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | | | cis | -168.4 | 156.4 | -6.1 | -109.4 | -32.7 | 0 | 0 | 0 | 109.6 | | |
| 1118 | E | 33.3 | Very low | 37.8 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | | | | -172.2 | 138.1 | 123.7 | -106.8 | -168.5 | 136 | 0 | 0 | 111.9 | | |
| 1119 | T | 42 | Very low | 37.9 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 63% | 0.632 | 67% | 0.666 | S | S | * | * | | | trans | -149.3 | -37.2 | -161 | 53.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1120 | P | 46.2 | Very low | 37.8 | Very low | 57 Ų | 57 | 128.6 Ų | 128.6 | 37% | 0.37 | 67% | 0.67 | S | S | . | * | | | trans | -72.9 | 149.9 | -165.1 | 28.9 | -35.4 | 0 | 0 | 0 | 112.6 | R494 | R494-P1120 WeakPolarHBondContact CA-O 3.42Š|
| 1121 | E | 35.9 | Very low | 37.8 | Very low | 41 Ų | 41 | 125.7 Ų | 125.7 | 19% | 0.192 | 67% | 0.674 | C | S | . | * | | | cis | -64.5 | 173.7 | 26.1 | -132.3 | 155 | -169.6 | 0 | 0 | 117 | R494 I495 M1123 | R494-E1121 HydrophobicContact CB-CB 4.1Å; R494-E1121 HydrophobicContact CB-CG 3.97Å; R494-E1121 WeakPolarHBondContact CD-OE1 3.46Å; R494-E1121 HydrophobicContact CG-CB 4.28Å; R494-E1121 HydrophobicContact CG-CG 3.84Å; R494-E1121 IonicContact CZ-OE1 3.02Å; R494-E1121 IonicContact NE-OE1 3.16Å; R494-E1121 PolarHBondContact NE-OE1 2.84Å; R494-E1121 VanDerWaalsContact NE-OE1 3.16Å; R494-E1121 IonicContact NH1-OE1 2.67Å; R494-E1121 PolarHBondContact NH1-OE1 3.24Å; R494-E1121 IonicContact NH2-OE1 3.92Å; I495-E1121 HydrophobicContact CD1-CB 3.59Å; I495-E1121 HydrophobicContact CD1-CG 4.42Å; I495-E1121 WeakPolarHBondContact CD1-OE2 3.26Å; I495-E1121 HydrophobicContact CG1-CB 3.61Å; E1121-M1123 HydrophobicContact CG-CB 4.03Å; E1121-M1123 HydrophobicContact CG-CG 3.98Å; E1121-M1123 VanDerWaalsContact OE1-CE 3.26Å; E1121-M1123 WeakPolarHBondContact OE1-CE 3.11Å; E1121-M1123 VanDerWaalsContact OE1-CG 3.28Å; E1121-M1123 WeakPolarHBondContact OE1-CG 3.42Å |
| 1122 | T | 38.5 | Very low | 37.3 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.693 | 67% | 0.674 | S | S | * | * | | | cis | 65.7 | 175.7 | 29.8 | 8.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1123 | M | 39.9 | Very low | 36.9 | Very low | 99 Ų | 99 | 127 Ų | 127 | 49% | 0.488 | 66% | 0.663 | S | S | . | * | | | cis | -144.9 | 170.9 | 27.9 | -129.1 | -154.2 | -34.8 | 0 | 0 | 113.3 | R494 E1121 | R494-M1123 PolarHBondContact NH1-SD 3.41Å; E1121-M1123 HydrophobicContact CG-CB 4.03Å; E1121-M1123 HydrophobicContact CG-CG 3.98Å; E1121-M1123 VanDerWaalsContact OE1-CE 3.26Å; E1121-M1123 WeakPolarHBondContact OE1-CE 3.11Å; E1121-M1123 VanDerWaalsContact OE1-CG 3.28Å; E1121-M1123 WeakPolarHBondContact OE1-CG 3.42Å |
| 1124 | I | 41.5 | Very low | 36.5 | Very low | 124 Ų | 124 | 125 Ų | 125 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | | | trans | 28.1 | 99.2 | 158.1 | -54.3 | 171.2 | 0 | 0 | 0 | 115.1 | | |
| 1125 | D | 34.9 | Very low | 36.1 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | | | cis | 63 | 85.6 | 15.8 | -157.7 | 33.7 | 0 | 0 | 0 | 114.6 | | |
| 1126 | E | 41.1 | Very low | 35.9 | Very low | 151 Ų | 151 | 126 Ų | 126 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | trans | -161.8 | 132.5 | 161 | -107.1 | -66.9 | 131.8 | 0 | 0 | 109.7 | | |
| 1127 | N | 34.1 | Very low | 35.7 | Very low | 105 Ų | 105 | 124 Ų | 124 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | | | trans | 17.6 | 138.2 | 157.3 | -74 | -59.4 | 0 | 0 | 0 | 121.5 | | |
| 1128 | S | 32.6 | Very low | 35.5 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | | | | -153.3 | 144.6 | 72.6 | -68.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1129 | N | 33.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | | | trans | -81.6 | 166.8 | 175.3 | -78.9 | -79.4 | 0 | 0 | 0 | 112.9 | | |
| 1130 | N | 30.8 | Very low | 34.8 | Very low | 163 Ų | 163 | 130 Ų | 130 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 1.7 | 115.1 | 155.7 | -62.4 | -27.1 | 0 | 0 | 0 | 118.1 | | |
| 1131 | G | 31.3 | Very low | 34.1 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | | | trans | 111.6 | 128.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1132 | R | 31.4 | Very low | 33.9 | Very low | 237 Ų | 237 | 138.3 Ų | 138.3 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | | | trans | -60.4 | 163.2 | 156.9 | -54.8 | 168.4 | 163.1 | 177 | -8.7 | 108.8 | | |
| 1133 | I | 31.1 | Very low | 33.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 53% | 0.533 | 74% | 0.739 | S | S | . | * | | | cis | -149.9 | 149.6 | 21.2 | -29.5 | 158.5 | 0 | 0 | 0 | 109.1 | T1136 | I1133-T1136 WeakPolarHBondContact CG2-O 3.26Š|
| 1134 | S | 29.1 | Very low | 33 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -152.7 | 135.1 | 144.6 | -75.8 | 0 | 0 | 0 | 0 | 108.4 | T1136 | S1134-T1136 PolarHBondContact O-N 3.28Š|
| 1135 | E | 35.7 | Very low | 32.5 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 42.7 | 71.6 | 161 | -67.1 | 162.9 | -143.1 | 0 | 0 | 114.3 | | |
| 1136 | T | 38.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -93.8 | 138.6 | 43.1 | 47.6 | 0 | 0 | 0 | 0 | 116.7 | I1133 S1134 | I1133-T1136 WeakPolarHBondContact CG2-O 3.26Å; S1134-T1136 PolarHBondContact O-N 3.28Å |
| 1137 | N | 34.1 | Very low | 31.8 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 68.7 | 99.8 | 171.3 | -68.3 | -11.1 | 0 | 0 | 0 | 119.4 | | |
| 1138 | Y | 31 | Very low | 32.2 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | 61.2 | 101 | 136.6 | -67.8 | -86.5 | 0 | 0 | 0 | 121.3 | | |
| 1139 | H | 33.4 | Very low | 32.1 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | | 54.9 | 110.2 | 128.4 | -76.8 | -79.7 | 0 | 0 | 0 | 122.4 | | |
| 1140 | H | 25.5 | Very low | 32.3 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | -72.2 | 171.1 | 133.4 | -77.8 | -59.4 | 0 | 0 | 0 | 110.7 | | |
| 1141 | P | 32.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -136.9 | -167.1 | 15.3 | 45 | -27.3 | 0 | 0 | 0 | 116.4 | | |
| 1142 | I | 30.2 | Very low | 32.8 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -51.1 | 139.3 | 167.9 | -61.2 | 150.4 | 0 | 0 | 0 | 113.2 | | |
| 1143 | I | 31.7 | Very low | 32.8 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | -157 | 156.1 | 135.5 | -102.5 | 154.9 | 0 | 0 | 0 | 108.5 | | |
| 1144 | L | 29 | Very low | 32.7 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -138.2 | 152.9 | -173.3 | -133.5 | 176.1 | 0 | 0 | 0 | 109.5 | | |
| 1145 | L | 30.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | 84.6 | 143.3 | 169.2 | -51.5 | 167.3 | 0 | 0 | 0 | 117.9 | | |
| 1146 | S | 33 | Very low | 32.9 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | 78.5 | 135.8 | 169.1 | -48.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1147 | S | 28.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -102.5 | 176.8 | -176.4 | -49.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1148 | P | 42.8 | Very low | 32.6 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | trans | -95.3 | -171.2 | -150.1 | 40.5 | -38.6 | 0 | 0 | 0 | 113.9 | | |
| 1149 | P | 29.2 | Very low | 32.5 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | | -152 | -173.8 | 102.6 | 34.7 | -13.4 | 0 | 0 | 0 | 116.6 | | |
| 1150 | I | 39.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | trans | 80 | 133.3 | 160.4 | -22.8 | -174.6 | 0 | 0 | 0 | 118.7 | | |
| 1151 | H | 35.5 | Very low | 32.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 56% | 0.556 | 76% | 0.755 | S | S | * | * | | | trans | -84.9 | -160.1 | 165.4 | -86.7 | -154.9 | 0 | 0 | 0 | 111.3 | D1170 | H1151-D1170 VanDerWaalsContact CE1-CG 3.48Å; H1151-D1170 IonicContact CE1-OD1 3.07Å; H1151-D1170 PolarHBondContact CE1-OD1 2.88Å; H1151-D1170 IonicContact CE1-OD2 3.43Å; H1151-D1170 PolarHBondContact CE1-OD2 2.9Å; H1151-D1170 IonicContact CG-OD2 3.69Å; H1151-D1170 IonicContact ND1-OD1 3.27Å; H1151-D1170 PolarHBondContact ND1-OD1 3.15Å; H1151-D1170 IonicContact ND1-OD2 2.72Å; H1151-D1170 PolarHBondContact ND1-OD2 3.39Å |
| 1152 | E | 35.8 | Very low | 32.9 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | 73 | 110.3 | 164.7 | -56.1 | -172.8 | 121.7 | 0 | 0 | 116 | | |
| 1153 | I | 33 | Very low | 33.1 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | cis | 93.1 | 141.9 | 33.5 | -57.1 | 163.4 | 0 | 0 | 0 | 112.9 | | |
| 1154 | A | 27.8 | Very low | 33.3 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | | | trans | 73.9 | 149.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1155 | F | 36.7 | Very low | 33.6 | Very low | 203 Ų | 203 | 129.2 Ų | 129.2 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | | | cis | -124 | 148.7 | 16.2 | -74.7 | -95 | 0 | 0 | 0 | 115.1 | | |
| 1156 | T | 32 | Very low | 33.8 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | | | trans | -90.7 | 165.3 | 171.2 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1157 | P | 34.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | | | | -151.4 | 164.5 | 113.4 | 36 | -18.8 | 0 | 0 | 0 | 115.4 | | |
| 1158 | I | 31.8 | Very low | 33.9 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | | | cis | -162.8 | 139.4 | -17.2 | -106.5 | 163.9 | 0 | 0 | 0 | 108.1 | | |
| 1159 | H | 29.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | trans | 34.1 | 147 | 156.8 | -74.8 | -70.9 | 0 | 0 | 0 | 123.8 | | |
| 1160 | P | 32 | Very low | 33.9 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | | | | -98.7 | 156.8 | 73 | -19.4 | 35.5 | 0 | 0 | 0 | 117.8 | | |
| 1161 | S | 33.2 | Very low | 33.7 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | trans | -25.3 | 146.2 | 156.9 | 45.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1162 | T | 35.2 | Very low | 33.4 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | | | cis | -160.1 | 149.1 | 11.2 | 39.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1163 | N | 33.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | | | trans | 56 | 136.8 | 141.3 | -64.3 | 37.6 | 0 | 0 | 0 | 119.8 | | |
| 1164 | I | 36.1 | Very low | 33.2 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | | | cis | -146.8 | 127.8 | 6.7 | -98.7 | 144.7 | 0 | 0 | 0 | 110 | | |
| 1165 | E | 34.3 | Very low | 33.3 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 55% | 0.547 | 74% | 0.735 | S | S | . | * | | | trans | 12.7 | 149.4 | 131.4 | -57.8 | 76.8 | -98.4 | 0 | 0 | 119 | | |
| 1166 | W | 36.8 | Very low | 33 | Very low | 231 Ų | 231 | 134 Ų | 134 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | | | cis | -177.4 | 173.8 | -3.5 | -98.2 | -25.8 | 0 | 0 | 0 | 107.4 | | |
| 1167 | D | 35.1 | Very low | 32.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | cis | -166.4 | -171.7 | -46.1 | -140.7 | -55.3 | 0 | 0 | 0 | 109.1 | | |
| 1168 | N | 28.1 | Very low | 32.4 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | | | trans | -104.5 | 159.6 | 172.4 | -79.8 | -59.6 | 0 | 0 | 0 | 113.4 | | |
| 1169 | S | 36.3 | Very low | 32.1 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | -157.1 | 154.8 | 170.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | | |
| 1170 | D | 35.1 | Very low | 32.5 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | | | trans | -119.4 | 162.3 | -152.9 | -63.7 | -68.7 | 0 | 0 | 0 | 118 | H1151 | H1151-D1170 VanDerWaalsContact CE1-CG 3.48Å; H1151-D1170 IonicContact CE1-OD1 3.07Å; H1151-D1170 PolarHBondContact CE1-OD1 2.88Å; H1151-D1170 IonicContact CE1-OD2 3.43Å; H1151-D1170 PolarHBondContact CE1-OD2 2.9Å; H1151-D1170 IonicContact CG-OD2 3.69Å; H1151-D1170 IonicContact ND1-OD1 3.27Å; H1151-D1170 PolarHBondContact ND1-OD1 3.15Å; H1151-D1170 IonicContact ND1-OD2 2.72Å; H1151-D1170 PolarHBondContact ND1-OD2 3.39Å |
| 1171 | D | 34.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | | | trans | 42.7 | 128.5 | 148.4 | -118.9 | 1.7 | 0 | 0 | 0 | 124.1 | | |
| 1172 | R | 30.5 | Very low | 32 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | 84.6 | 136.8 | 142.5 | -70.7 | 169 | -157.1 | -122 | -6.7 | 124.5 | | |
| 1173 | N | 28.7 | Very low | 31.7 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | 41.7 | 109.5 | 143.4 | -67.6 | 5.9 | 0 | 0 | 0 | 120.5 | | |
| 1174 | S | 34.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | | -168.9 | 123.9 | 95.9 | 59 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1175 | D | 30.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | 51.3 | 154.6 | 144.3 | -67.3 | -51.9 | 0 | 0 | 0 | 125.2 | | |
| 1176 | S | 30.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | 68.7 | 79.8 | 155.5 | -65.2 | 0 | 0 | 0 | 0 | 120.3 | R1178 | S1176-R1178 PolarHBondContact O-N 3.28Š|
| 1177 | C | 25.1 | Very low | 31 | Very low | 129 Ų | 129 | 139 Ų | 139 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | | 15.3 | 102.9 | 120.7 | -57.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1178 | R | 28.2 | Very low | 30.8 | Very low | 248 Ų | 248 | 139.2 Ų | 139.2 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | | | trans | -163.7 | 121.1 | 130.7 | -114.4 | 176.7 | 178.3 | 178.2 | -0.9 | 116 | S1176 | S1176-R1178 PolarHBondContact O-N 3.28Š|
| 1179 | I | 25.8 | Very low | 31.1 | Very low | 152 Ų | 152 | 139 Ų | 139 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -69.5 | 153.2 | 146.4 | -64.5 | 157.8 | 0 | 0 | 0 | 107.3 | | |
| 1180 | P | 37 | Very low | 30.8 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | cis | -137.8 | 175.3 | 9 | 28.7 | -4.7 | 0 | 0 | 0 | 117.7 | | |
| 1181 | V | 25.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | 69.6 | 144.6 | 136.1 | 161 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1182 | H | 30.2 | Very low | 30.6 | Very low | 158 Ų | 158 | 143 Ų | 143 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | | | trans | 76.7 | 114.3 | 165.3 | -72.4 | -35.1 | 0 | 0 | 0 | 120.6 | | |
| 1183 | N | 29.1 | Very low | 30.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | | 37.3 | 126.6 | 128.6 | -54.1 | 15.7 | 0 | 0 | 0 | 120.6 | | |
| 1184 | H | 29.5 | Very low | 30.8 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | | | trans | 17.4 | 135.3 | 146 | -66.6 | -104.1 | 0 | 0 | 0 | 119 | D1186 | H1184-D1186 IonicContact CE1-OD1 3.49Å; H1184-D1186 PolarHBondContact CE1-OD1 3.46Å; H1184-D1186 IonicContact ND1-OD1 2.86Å; H1184-D1186 PolarHBondContact ND1-OD1 3.47Å; H1184-D1186 IonicContact ND1-OD2 3.36Å; H1184-D1186 PolarHBondContact ND1-OD2 3.36Å |
| 1185 | P | 37 | Very low | 31 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | | -120.7 | 143.6 | 97.3 | 35 | -34.2 | 0 | 0 | 0 | 113.6 | | |
| 1186 | D | 27.7 | Very low | 31.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | | | trans | -80.9 | -161.1 | 163.9 | -47.8 | -65.7 | 0 | 0 | 0 | 110.3 | H1184 | H1184-D1186 IonicContact CE1-OD1 3.49Å; H1184-D1186 PolarHBondContact CE1-OD1 3.46Å; H1184-D1186 IonicContact ND1-OD1 2.86Å; H1184-D1186 PolarHBondContact ND1-OD1 3.47Å; H1184-D1186 IonicContact ND1-OD2 3.36Å; H1184-D1186 PolarHBondContact ND1-OD2 3.36Å |
| 1187 | V | 33 | Very low | 31.2 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 88.1 | 121.1 | 179 | -172.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1188 | L | 30 | Very low | 31.6 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | cis | 179.9 | 179.4 | -30.1 | -110.8 | 165.2 | 0 | 0 | 0 | 107.3 | | |
| 1189 | L | 33.5 | Very low | 31.7 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | 72.3 | 135.5 | 166.2 | -45.1 | -175.6 | 0 | 0 | 0 | 115 | | |
| 1190 | N | 31.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | | | cis | -140.5 | 174.3 | -15.8 | -69.7 | -44.7 | 0 | 0 | 0 | 105.5 | | |
| 1191 | E | 33.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -131.6 | 163.1 | 11.3 | -71.8 | 178.6 | 126.1 | 0 | 0 | 107.6 | | |
| 1192 | S | 31 | Very low | 32.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | cis | -117.8 | 146.1 | 26.4 | 45.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1193 | V | 36.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 132 Ų | 132 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | trans | -74.9 | 146.8 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1194 | D | 27.7 | Very low | 33 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | trans | -26.7 | 152.3 | 170.8 | -52.6 | -85 | 0 | 0 | 0 | 118 | | |
| 1195 | T | 37.5 | Very low | 33.1 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | | -153.8 | 109.7 | 118.6 | 16.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1196 | N | 32.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | 57.1 | 141.2 | 132.6 | -65 | -34.8 | 0 | 0 | 0 | 121.1 | | |
| 1197 | L | 34.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | cis | -171.2 | 170.1 | -13.8 | -162.4 | 70 | 0 | 0 | 0 | 107.8 | | |
| 1198 | K | 32.1 | Very low | 33.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 86.4 | 150 | 174.4 | -62.7 | -173.2 | 173.7 | -170.6 | 0 | 115.8 | | |
| 1199 | D | 30.3 | Very low | 33.2 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | | | cis | -107.4 | 148.8 | -3.1 | -87.6 | -44.1 | 0 | 0 | 0 | 111.7 | | |
| 1200 | D | 39.2 | Very low | 33.2 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | -147.5 | 155.8 | 172.1 | -168 | 15.7 | 0 | 0 | 0 | 111.9 | | |
| 1201 | S | 38.5 | Very low | 33.6 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | trans | 70.4 | 130.3 | 173.6 | 80.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1202 | T | 33.8 | Very low | 33.7 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 97% | 0.969 | 74% | 0.735 | S | S | * | * | | | trans | -111.9 | 116.2 | 143.5 | 39.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1203 | G | 31.8 | Very low | 33.9 | Very low | 53 Ų | 53 | 132.1 Ų | 132.1 | 55% | 0.546 | 73% | 0.73 | S | S | . | * | | | cis | 162.7 | -148.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1204 | R | 31.9 | Very low | 33.9 | Very low | 240 Ų | 240 | 132.9 Ų | 132.9 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | | | trans | 71.7 | 115.5 | -176.9 | -67.6 | -178.6 | 169.4 | -167.4 | -3.9 | 112.3 | | |
| 1205 | Q | 31.5 | Very low | 34.3 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | | | cis | -149.2 | 177.1 | 13.8 | -55.1 | -175.5 | 22.4 | 0 | 0 | 112.7 | | |
| 1206 | V | 32.1 | Very low | 34.1 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | | | trans | 89.9 | 85.5 | 164.1 | -164.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1207 | L | 32.8 | Very low | 34 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | 68.4 | 119.1 | 141.8 | -83.5 | 69.6 | 0 | 0 | 0 | 123.6 | | |
| 1208 | L | 32.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 67% | 0.665 | 74% | 0.742 | S | S | * | * | | | trans | 88.3 | 115.8 | 138.1 | -92.2 | 65.2 | 0 | 0 | 0 | 123.6 | | |
| 1209 | F | 32.6 | Very low | 33.8 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | trans | 62 | 99.8 | 150.1 | -59.7 | -59.8 | 0 | 0 | 0 | 123.1 | | |
| 1210 | T | 34.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 133 Ų | 133 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | | 25.4 | 163.9 | 111.6 | 51.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1211 | P | 39.8 | Very low | 33.9 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | cis | -144.1 | 170.1 | -23.7 | 35.5 | -16.2 | 0 | 0 | 0 | 117.1 | | |
| 1212 | S | 34.7 | Very low | 33.8 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | | 152.5 | 135.1 | 117.8 | -65.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1213 | S | 35.4 | Very low | 33.8 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | trans | 57.4 | 139.4 | 148.5 | 52.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1214 | T | 36.9 | Very low | 34 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | | | cis | -167.1 | 140.8 | -9 | 17.1 | 0 | 0 | 0 | 0 | 112 | | |
| 1215 | S | 35.5 | Very low | 34.3 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | 50.2 | 143.8 | 146.9 | 61.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1216 | S | 33.1 | Very low | 34.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | cis | -174.7 | 153.2 | -15.2 | 46.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1217 | N | 32.1 | Very low | 34.4 | Very low | 168 Ų | 168 | 129.7 Ų | 129.7 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | | | trans | -88.1 | 168.1 | -177 | -73.1 | -15.9 | 0 | 0 | 0 | 115.3 | | |
| 1218 | S | 29.2 | Very low | 34.6 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | -80.9 | 164 | 176.8 | -35.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1219 | D | 31.4 | Very low | 34.6 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | 50.1 | 107.5 | 148.7 | -47.3 | -29.9 | 0 | 0 | 0 | 120.7 | | |
| 1220 | R | 36.5 | Very low | 34.5 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | | | | 176.2 | 145.2 | 102.2 | -100.2 | 179.9 | 149.7 | 87.1 | 5.8 | 116.7 | | |
| 1221 | E | 36.5 | Very low | 34.7 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 66% | 0.659 | 71% | 0.706 | S | S | * | * | | | trans | 50.5 | 101.6 | 139.8 | -67.1 | 155.1 | 173.5 | 0 | 0 | 120.8 | | |
| 1222 | S | 36.3 | Very low | 34.3 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | | | | 16.3 | 141.6 | 109.7 | 61.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1223 | D | 33.1 | Very low | 34.5 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | | | cis | -167.5 | -170.7 | 3.8 | -125.8 | -52 | 0 | 0 | 0 | 112.1 | | |
| 1224 | D | 36.9 | Very low | 34.8 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | | | trans | 85.9 | 110.8 | 150.6 | -98.4 | -20.9 | 0 | 0 | 0 | 121.6 | | |
| 1225 | M | 36.9 | Very low | 34.7 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | | | | 103.3 | 109.9 | 128.5 | -71.7 | -80 | 171 | 0 | 0 | 121.8 | | |
| 1226 | K | 36.1 | Very low | 34.5 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | | | trans | 68.9 | 107.9 | 145 | -69.1 | 163.3 | 179.4 | 160.3 | 0 | 117 | | |
| 1227 | S | 30.8 | Very low | 34.6 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | | | | 74.7 | 106.3 | 69.8 | -178.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1228 | I | 36 | Very low | 34.5 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | | | | -148.8 | 148.2 | 121.4 | -91.8 | 140.5 | 0 | 0 | 0 | 107.9 | | |
| 1229 | L | 33.4 | Very low | 34.7 | Very low | 147 Ų | 147 | 125 Ų | 125 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | | | trans | -74.7 | 143.9 | -161.4 | -75.5 | 139.7 | 0 | 0 | 0 | 117.2 | | |
| 1230 | S | 30.3 | Very low | 34.6 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | | | trans | 59.5 | -175.4 | 152.8 | -55.2 | 0 | 0 | 0 | 0 | 115 | H270 M271 | H270-S1230 VanDerWaalsContact CA-C 3.49Å; M271-S1230 VanDerWaalsContact CG-CB 3.4Å; M271-S1230 VanDerWaalsContact N-C 3.28Å |
| 1231 | P | 37.9 | Very low | 34.3 | Very low | 44 Ų | 44 | 117.4 Ų | 117.4 | 29% | 0.286 | 63% | 0.625 | S | S | . | * | | | cis | -79 | -138.4 | 1.6 | 2.2 | -1.4 | 0 | 0 | 0 | 119.5 | D269 H270 M271 N272 | D269-P1231 CarbonylContact C-O 3.28Å; D269-P1231 VanDerWaalsContact C-O 3.28Å; D269-P1231 VanDerWaalsContact CA-O 3.3Å; D269-P1231 WeakPolarHBondContact CA-O 3.4Å; D269-P1231 WeakPolarHBondContact CB-O 3.48Å; H270-P1231 HydrophobicContact CB-CG 3.87Å; H270-P1231 PolarHBondContact N-O 3.07Å; H270-P1231 VanDerWaalsContact N-O 3.16Å; H270-P1231 CarbonylContact O-C 3.58Å; H270-P1231 WeakPolarHBondContact O-CA 3.37Å; H270-P1231 WeakPolarHBondContact O-CB 3.35Å; H270-P1231 VanDerWaalsContact O-CD 3.32Å; H270-P1231 WeakPolarHBondContact O-CD 3.5Å; H270-P1231 WeakPolarHBondContact O-CG 3.49Å; M271-P1231 HydrophobicContact CB-CB 4.14Å; M271-P1231 HydrophobicContact CB-CG 4.44Å; N272-P1231 HydrophobicContact CB-CG 4.17Å |
| 1232 | Q | 32.1 | Very low | 34 | Very low | 145 Ų | 145 | 116.9 Ų | 116.9 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | | | trans | -148.3 | 157.2 | 179.1 | -76.6 | -178.9 | -30.6 | 0 | 0 | 111.4 | H270 | H270-Q1232 PolarHBondContact O-N 3.08Å; H270-Q1232 VanDerWaalsContact O-N 3.13Å |
| 1233 | T | 38.9 | Very low | 33.8 | Very low | 66 Ų | 66 | 119.5 Ų | 119.5 | 41% | 0.405 | 63% | 0.632 | S | S | . | * | | | trans | -39.9 | 163.6 | 153.4 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | K267 F268 | K267-T1233 WeakPolarHBondContact O-CG2 2.36Å; F268-T1233 VanDerWaalsContact N-CG2 3.26Å; F268-T1233 VanDerWaalsContact O-CG2 3.3Å; F268-T1233 WeakPolarHBondContact O-CG2 3.44Å; F268-T1233 PolarHBondContact O-N 3.39Å |
| 1234 | P | 40.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | | | cis | -144.5 | -164.7 | 43 | 38.1 | -11.7 | 0 | 0 | 0 | 114.2 | | |
| 1235 | N | 34.2 | Very low | 33.9 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | | | cis | -172.6 | 121.9 | 38.8 | -159.4 | 16 | 0 | 0 | 0 | 115.1 | V264 | V264-N1235 VanDerWaalsContact CG1-O 3.26Å; V264-N1235 WeakPolarHBondContact CG1-O 2.61Å |
| 1236 | R | 32.8 | Very low | 33.9 | Very low | 148 Ų | 148 | 114.2 Ų | 114.2 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | | | | 24.5 | 155.2 | 119 | -114.9 | -176.8 | 179.9 | -146.3 | 15.2 | 119.1 | V264 | V264-R1236 CarbonylContact O-C 3.19Å; V264-R1236 WeakPolarHBondContact O-CA 3.14Å |
| 1237 | Q | 34.6 | Very low | 33.9 | Very low | 92 Ų | 92 | 111.7 Ų | 111.7 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | | | cis | -164.6 | 133.8 | 15.8 | -176.9 | 169.1 | -37.5 | 0 | 0 | 111.6 | C262 V264 | C262-Q1237 CarbonylContact O-C 3.57Å; V264-Q1237 WeakPolarHBondContact O-CA 3.42Å; V264-Q1237 PolarHBondContact O-N 2.77Å; V264-Q1237 VanDerWaalsContact O-N 3.14Å |
| 1238 | R | 30.1 | Very low | 34.1 | Very low | 175 Ų | 175 | 110.3 Ų | 110.3 | 66% | 0.66 | 58% | 0.58 | S | S | * | * | | | trans | -41.9 | 150.1 | -179.4 | 30 | 56.4 | -176.4 | -157 | -7.7 | 119.7 | C262 | C262-R1238 CarbonylContact O-C 3.04Å; C262-R1238 WeakPolarHBondContact O-CA 3.17Å |
| 1239 | T | 34.1 | Very low | 33.8 | Very low | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 57% | 0.571 | S | S | . | * | | | trans | -156.5 | 155.2 | 154.7 | 30.7 | 0 | 0 | 0 | 0 | 112.7 | P261 C262 | P261-T1239 WeakPolarHBondContact CB-OG1 3.21Å; C262-T1239 PolarHBondContact N-OG1 3.34Å; C262-T1239 VanDerWaalsContact N-OG1 3.15Å; C262-T1239 PolarHBondContact O-N 3.09Å; C262-T1239 PolarHBondContact O-OG1 2.86Å |
| 1240 | C | 27.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 107.2 Ų | 107.2 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | | | cis | -173.9 | 166.4 | -42.3 | -117.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1241 | S | 31.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 110.3 Ų | 110.3 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | | | trans | 73.7 | 110.9 | 140.3 | -70.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1242 | D | 30.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 116.3 Ų | 116.3 | 70% | 0.695 | 60% | 0.599 | S | S | * | * | | | | 63.2 | 140.6 | 97.9 | -52.1 | -43.7 | 0 | 0 | 0 | 122.7 | | |
| 1243 | I | 32.1 | Very low | 33.6 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 77% | 0.774 | 61% | 0.606 | S | S | * | * | | | trans | 67.1 | 131.3 | 144.5 | -68.5 | 158.4 | 0 | 0 | 0 | 118.1 | | |
| 1244 | L | 35.1 | Very low | 33.4 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | | | trans | 175 | 137.5 | 132.4 | -95.6 | 170.9 | 0 | 0 | 0 | 105.4 | | |
| 1245 | Q | 36.4 | Very low | 33.1 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 32% | 0.318 | 62% | 0.622 | S | S | . | * | | | cis | -137.6 | -167.6 | 21.4 | -82.6 | 176.9 | -77.5 | 0 | 0 | 107 | P248 | P248-Q1245 HydrophobicContact CB-CB 4.3Å; P248-Q1245 WeakPolarHBondContact CB-O 3.3Å; P248-Q1245 WeakPolarHBondContact CG-O 3.25Å |
| 1246 | E | 36 | Very low | 33 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 38% | 0.383 | 63% | 0.629 | S | S | . | * | | | cis | -174.6 | 175.9 | -29.9 | -91.7 | -179.1 | -168.7 | 0 | 0 | 105.2 | T247 | T247-E1246 CarbonylContact C-O 3.13Š|
| 1247 | K | 36.6 | Very low | 33.1 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | | | cis | -145.8 | 135.4 | -23.7 | -111.9 | 168 | -168.9 | 142.2 | 0 | 104.1 | | |
| 1248 | S | 35.2 | Very low | 33.3 | Very low | 73 Ų | 73 | 123 Ų | 123 | 51% | 0.51 | 65% | 0.648 | S | S | . | * | | | | 63.8 | 140.1 | 81.8 | 109.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1249 | N | 29.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 68% | 0.684 | 65% | 0.645 | S | S | * | * | | | cis | -171.8 | 177.7 | -1.3 | -127.8 | 3.6 | 0 | 0 | 0 | 112.7 | | |
| 1250 | N | 29.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 66% | 0.657 | S | S | * | * | | | trans | 85.9 | 117.4 | 149.2 | -66.1 | -16.1 | 0 | 0 | 0 | 121.9 | | |
| 1251 | N | 29.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | | | | 103.5 | 113.9 | 123.6 | -81.8 | -26.6 | 0 | 0 | 0 | 122.4 | | |
| 1252 | K | 34.5 | Very low | 34.4 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 74% | 0.735 | 67% | 0.674 | S | S | * | * | | | trans | 80.8 | 137.1 | 135.8 | -68.3 | 179.9 | 177.4 | -177 | 0 | 120.4 | | |
| 1253 | Q | 35.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | | | trans | 68.2 | 134.5 | 161.2 | -67.1 | 157.2 | -43.1 | 0 | 0 | 114.1 | | |
| 1254 | T | 35.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | | | cis | -146.1 | 129.6 | 12.2 | -34.1 | 0 | 0 | 0 | 0 | 106 | | |
| 1255 | L | 33.6 | Very low | 35.4 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | | | | 41.2 | 130.8 | 86.8 | -62 | 166.4 | 0 | 0 | 0 | 112.8 | F1257 | L1255-F1257 HydrophobicContact CD2-CD2 3.9Å; L1255-F1257 HydrophobicContact CD2-CE2 3.46Å; L1255-F1257 VanDerWaalsContact CD2-CE2 3.46Å; L1255-F1257 HydrophobicContact CD2-CZ 4.45Å |
| 1256 | S | 33.8 | Very low | 35.5 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | | | cis | -133.5 | 142.5 | 23.7 | 54 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1257 | F | 33.8 | Very low | 35.6 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | | | | 47.1 | 136.5 | 97.4 | -62.9 | -72.7 | 0 | 0 | 0 | 115.5 | L1255 | L1255-F1257 HydrophobicContact CD2-CD2 3.9Å; L1255-F1257 HydrophobicContact CD2-CE2 3.46Å; L1255-F1257 VanDerWaalsContact CD2-CE2 3.46Å; L1255-F1257 HydrophobicContact CD2-CZ 4.45Å |
| 1258 | T | 39.5 | Very low | 35.6 | Very low | 115 Ų | 115 | 142 Ų | 142 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | cis | -133.3 | 134.5 | 24 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1259 | D | 38 | Very low | 35.6 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 58% | 0.583 | 76% | 0.758 | S | S | * | * | | | | 58.3 | 137.3 | 117.6 | -38.5 | -29.9 | 0 | 0 | 0 | 119.2 | | |
| 1260 | L | 32.1 | Very low | 36 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | | 61.2 | 135.9 | 50.9 | -62.6 | 168.5 | 0 | 0 | 0 | 112.1 | | |
| 1261 | D | 41.8 | Very low | 36.3 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | cis | -132.6 | 164.9 | 17.6 | -94.2 | -59.2 | 0 | 0 | 0 | 115 | E1263 | D1261-E1263 HydrophobicContact CB-CG 4.4Š|
| 1262 | L | 33.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | -96.3 | 72.9 | 158.4 | -91.8 | 167.6 | 0 | 0 | 0 | 109.5 | L1264 | L1262-L1264 PolarHBondContact O-N 3.38Š|
| 1263 | E | 40.8 | Very low | 36.9 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -70.3 | 115 | 158.9 | -71.6 | -163.3 | 135.4 | 0 | 0 | 107.9 | D1261 | D1261-E1263 HydrophobicContact CB-CG 4.4Š|
| 1264 | L | 40.4 | Very low | 37 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 71% | 0.707 | 77% | 0.77 | S | S | * | * | | | | 61.8 | 75.5 | 78.4 | -67 | 169.6 | 0 | 0 | 0 | 112.6 | L1262 | L1262-L1264 PolarHBondContact O-N 3.38Š|
| 1265 | I | 38.2 | Very low | 37.1 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | | -115.8 | 99.2 | 128 | -61.1 | -175.4 | 0 | 0 | 0 | 107.5 | | |
| 1266 | E | 39 | Very low | 37.3 | Very low | 146 Ų | 146 | 148 Ų | 148 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 135.1 | 162.7 | 166.6 | 177.5 | -163.8 | 0 | 0 | 109.5 | | |
| 1267 | N | 37.3 | Very low | 37.6 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | 56.5 | 105.3 | 164.8 | -56.1 | -29.4 | 0 | 0 | 0 | 119.8 | | |
| 1268 | D | 36.8 | Very low | 38 | Very low | 239 Ų | 239 | 151.1 Ų | 151.1 | 100% | 1.278 | 79% | 0.789 | S | S | * | * | | | | -150.7 | 0 | 126.1 | -148.6 | 35.6 | 0 | 0 | 0 | 109.4 | | |