| 1 | M | 35.6 | Very low | 35.8 | Very low | 246 Ų | 246 | 133.2 Ų | 133.2 | 100% | 1.212 | 77% | 0.766 | S | S | * | * | | | | 0 | 148.4 | 0 | -88.6 | 173.6 | 152.1 | 0 | 0 | 108.6 | | |
| 2 | T | 35.9 | Very low | 36.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | trans | -52.5 | 140 | 177.2 | 28.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | E | 38.7 | Very low | 36.7 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | | 85.1 | 155.6 | 59.4 | -160 | -160.8 | 153 | 0 | 0 | 111.5 | | |
| 4 | A | 43.1 | Very low | 36.9 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | | | trans | 70.6 | 145.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 5 | Q | 36.3 | Very low | 37.1 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | cis | -157.9 | 141.7 | -4.5 | -130.9 | 175.6 | -40.5 | 0 | 0 | 110.2 | | |
| 6 | E | 37.3 | Very low | 37.1 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | trans | 58.5 | 176.8 | 137.1 | -81.5 | 177 | -138.7 | 0 | 0 | 120.7 | | |
| 7 | P | 47.6 | Very low | 37.9 | Very low | 94 Ų | 94 | 127 Ų | 127 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | | | cis | -135.1 | -179.9 | -49.5 | 38 | -23.8 | 0 | 0 | 0 | 112.8 | | |
| 8 | C | 31.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 65.5 | 160.6 | 145.2 | -76.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 9 | S | 26.6 | Very low | 38.6 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | cis | -165.2 | 153.1 | -27.3 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 10 | V | 27.9 | Very low | 38.8 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | 60.9 | 128.1 | 141.6 | 170.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 11 | S | 33.4 | Very low | 39.7 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -48.6 | -167.9 | 159.1 | -34.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 12 | P | 44.3 | Very low | 40.5 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | cis | -133 | -176.4 | -4.3 | 33.7 | -11.4 | 0 | 0 | 0 | 115.4 | | |
| 13 | E | 38.1 | Very low | 41.2 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 150 | 159.7 | 179.3 | -166.1 | 126.9 | 0 | 0 | 113.1 | T15 | E13-T15 PolarHBondContact OE1-OG1 2.69Š|
| 14 | P | 40.6 | Very low | 41.9 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 116.2 | 159.7 | 34.4 | -25.1 | 0 | 0 | 0 | 112.3 | | |
| 15 | T | 39.3 | Very low | 42.6 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 156.8 | 175.3 | -47.3 | 0 | 0 | 0 | 0 | 112.4 | E13 | E13-T15 PolarHBondContact OE1-OG1 2.69Š|
| 16 | G | 37.7 | Very low | 43.2 | Very low | 58 Ų | 58 | 122 Ų | 122 | 60% | 0.598 | 70% | 0.704 | S | S | * | * | | | trans | -107.8 | 176 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 17 | P | 50.9 | Low | 44.1 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | | | trans | -115.6 | 158.7 | -174.7 | 39.4 | -29.2 | 0 | 0 | 0 | 114.9 | | |
| 18 | E | 46.3 | Very low | 44.5 | Very low | 170 Ų | 170 | 123.1 Ų | 123.1 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | | | cis | -170.5 | 150.8 | -26.8 | -125.4 | 164.1 | -118.6 | 0 | 0 | 111.1 | | |
| 19 | S | 42.8 | Very low | 45.5 | Very low | 118 Ų | 118 | 121 Ų | 121 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | | | trans | 64.4 | 144.5 | 170.4 | 78.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 20 | S | 41.9 | Very low | 46.1 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | | | cis | -118.1 | 116.5 | 0.3 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 21 | S | 57 | Low | 47.2 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | | | trans | 37.8 | 120.9 | 133.4 | -44.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 22 | R | 54.1 | Low | 47.7 | Very low | 198 Ų | 198 | 120 Ų | 120 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 88.5 | -5.8 | 149.6 | -66.5 | -174.5 | 164.8 | -88.6 | -9.7 | 121.6 | D25 | R22-D25 WeakPolarHBondContact CA-OD2 3.38Å; R22-D25 PolarHBondContact N-OD2 2.72Å |
| 23 | W | 49.5 | Very low | 47.6 | Very low | 181 Ų | 181 | 120.2 Ų | 120.2 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -101.7 | -30.7 | 171.4 | 76.5 | -82.9 | 0 | 0 | 0 | 114.1 | L27 | W23-L27 HydrophobicContact CE3-CD1 4.23Å; W23-L27 HydrophobicContact CZ3-CD1 4.31Å |
| 24 | L | 53 | Low | 47.3 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 54% | 0.539 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -71.5 | -33.6 | 162.6 | -78.6 | 171.2 | 0 | 0 | 0 | 111.3 | D26 L27 L28 | L24-D26 PolarHBondContact O-N 3.19Å; L24-L27 PolarHBondContact O-N 2.86Å; L24-L28 WeakPolarHBondContact O-CB 3.39Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.22Å; L24-L28 VanDerWaalsContact O-N 3.08Å |
| 25 | D | 58.6 | Low | 46.9 | Very low | 87 Ų | 87 | 119.7 Ų | 119.7 | 47% | 0.465 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -59.5 | -43.6 | 175.6 | -59.9 | -72.4 | 0 | 0 | 0 | 111.6 | R22 L27 L28 A29 | R22-D25 WeakPolarHBondContact CA-OD2 3.38Å; R22-D25 PolarHBondContact N-OD2 2.72Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-L27 PolarHBondContact O-N 3.08Å; D25-L28 CarbonylContact O-C 3.49Å; D25-L28 PolarHBondContact O-N 3.32Å; D25-L28 VanDerWaalsContact O-N 3.13Å; D25-A29 WeakPolarHBondContact O-CB 3.41Å; D25-A29 PolarHBondContact O-N 3.18Å |
| 26 | D | 48.8 | Very low | 46.9 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.6 | -30.6 | 177.6 | -101.7 | 3.6 | 0 | 0 | 0 | 113.2 | L24 L28 | L24-D26 PolarHBondContact O-N 3.19Å; D26-L28 PolarHBondContact O-N 2.95Å |
| 27 | L | 55.7 | Low | 46.6 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.6 | -12.6 | 172.8 | -75.3 | 169.5 | 0 | 0 | 0 | 113.5 | W23 L24 D25 | W23-L27 HydrophobicContact CE3-CD1 4.23Å; W23-L27 HydrophobicContact CZ3-CD1 4.31Å; L24-L27 PolarHBondContact O-N 2.86Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-L27 PolarHBondContact O-N 3.08Å |
| 28 | L | 55.8 | Low | 45.8 | Very low | 145 Ų | 145 | 118 Ų | 118 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -112 | -20.7 | 178 | -65.6 | 172.5 | 0 | 0 | 0 | 113.2 | L24 D25 D26 | L24-L28 WeakPolarHBondContact O-CB 3.39Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.22Å; L24-L28 VanDerWaalsContact O-N 3.08Å; D25-L28 CarbonylContact O-C 3.49Å; D25-L28 PolarHBondContact O-N 3.32Å; D25-L28 VanDerWaalsContact O-N 3.13Å; D26-L28 PolarHBondContact O-N 2.95Å |
| 29 | A | 53.5 | Low | 45.1 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -86.8 | -10.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D25 | D25-A29 WeakPolarHBondContact O-CB 3.41Å; D25-A29 PolarHBondContact O-N 3.18Å |
| 30 | S | 38.3 | Very low | 44.6 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -105.2 | 109.9 | 171.1 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 31 | P | 52.2 | Low | 44.1 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | | | trans | -66.3 | 135.1 | 176.7 | 27.3 | -33.5 | 0 | 0 | 0 | 110.2 | | |
| 32 | P | 43.8 | Very low | 42.9 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | | | trans | -61 | 133.1 | 166.8 | 26.9 | -33.1 | 0 | 0 | 0 | 108.4 | N34 | P32-N34 PolarHBondContact O-N 2.82Š|
| 33 | P | 42.2 | Very low | 41.7 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | trans | -64.4 | 111.3 | -178 | 25.1 | -33.3 | 0 | 0 | 0 | 109.9 | S35 | P33-S35 PolarHBondContact O-N 3.48Š|
| 34 | N | 32.3 | Very low | 40.9 | Very low | 162 Ų | 162 | 117.6 Ų | 117.6 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | | | trans | -71.9 | 79 | 175.6 | -176.1 | 17.6 | 0 | 0 | 0 | 110.5 | P32 | P32-N34 PolarHBondContact O-N 2.82Š|
| 35 | S | 31.2 | Very low | 39.9 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -160.9 | 109.7 | 170.2 | -78 | 0 | 0 | 0 | 0 | 109.3 | P33 S37 | P33-S35 PolarHBondContact O-N 3.48Å; S35-S37 PolarHBondContact O-N 2.85Å |
| 36 | G | 38.4 | Very low | 38.6 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 95% | 0.948 | 76% | 0.761 | S | S | * | * | | | trans | -63.8 | 114.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 37 | S | 32.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -163.1 | 133 | 177 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | S35 | S35-S37 PolarHBondContact O-N 2.85Š|
| 38 | A | 33.8 | Very low | 36.7 | Very low | 61 Ų | 61 | 127.3 Ų | 127.3 | 50% | 0.504 | 77% | 0.773 | S | S | . | * | | | cis | -161.5 | 146 | -14.6 | 0 | 0 | 0 | 0 | 0 | 112 | R40 | A38-R40 HydrophobicContact CB-CG 4.46Š|
| 39 | R | 32 | Very low | 35.5 | Very low | 244 Ų | 244 | 130.1 Ų | 130.1 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | | -124.3 | 108.5 | 123.6 | -59 | -176 | -167.6 | -108.8 | 0.4 | 104.2 | | |
| 40 | R | 31.9 | Very low | 34.3 | Very low | 228 Ų | 228 | 134.4 Ų | 134.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 43.4 | 114.6 | 77.9 | -71.2 | -168.8 | -85.8 | -158.4 | -4.4 | 110.5 | A38 | A38-R40 HydrophobicContact CB-CG 4.46Š|
| 41 | A | 31.9 | Very low | 33.8 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | cis | -143.6 | 159.7 | 30.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 42 | A | 31.1 | Very low | 33.3 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | | | trans | 73.9 | 133.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 43 | G | 30 | Very low | 32.6 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 84.9 | 118.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 44 | A | 32.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | cis | 68.9 | 127.1 | 36 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 45 | E | 30.7 | Very low | 32 | Very low | 173 Ų | 173 | 134 Ų | 134 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | cis | -160.1 | -172.5 | -5.6 | -147.4 | -166.2 | 129.6 | 0 | 0 | 110.1 | | |
| 46 | L | 32.7 | Very low | 32.3 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | 82.6 | 146.3 | 158.5 | -110 | 72.1 | 0 | 0 | 0 | 122.4 | | |
| 47 | K | 33.7 | Very low | 32.3 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -48.9 | 163.3 | 166.7 | -68.4 | 164.3 | 179.2 | 170.7 | 0 | 112.7 | | |
| 48 | D | 30.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | | -163.3 | 173 | 54.8 | -144 | -4.9 | 0 | 0 | 0 | 118.3 | | |
| 49 | R | 30.3 | Very low | 33.3 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | trans | 3.1 | 116.8 | 164.8 | -78.7 | 160.9 | 162.7 | -150.8 | -6.8 | 121.8 | | |
| 50 | Q | 29.1 | Very low | 33.9 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | | 35.1 | 113.3 | 113.9 | -65 | -177.8 | -73.8 | 0 | 0 | 120.9 | | |
| 51 | S | 27.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | | 75 | 160.5 | 129.7 | -53.4 | 0 | 0 | 0 | 0 | 120 | | |
| 52 | P | 41.2 | Very low | 35 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | -121 | -177 | -4.4 | 40.4 | -25.8 | 0 | 0 | 0 | 114.8 | | |
| 53 | S | 29.5 | Very low | 35.9 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | -71.1 | 156.2 | 177.4 | 54 | 0 | 0 | 0 | 0 | 116.2 | | |
| 54 | T | 31 | Very low | 36.7 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | | -154.4 | 135.7 | 123.7 | 16 | 0 | 0 | 0 | 0 | 114 | | |
| 55 | C | 31.1 | Very low | 37.8 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 30.5 | 105.1 | 148.7 | -56 | 0 | 0 | 0 | 0 | 121.6 | | |
| 56 | S | 38.2 | Very low | 39 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 90% | 0.895 | 75% | 0.747 | S | S | * | * | | | | 10.2 | 116.3 | 125.6 | -45.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 57 | E | 37.1 | Very low | 40 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | | | trans | -115 | 139.9 | 148.5 | -176.1 | 167.4 | -158.4 | 0 | 0 | 109.4 | | |
| 58 | G | 41.1 | Very low | 40.8 | Very low | 61 Ų | 61 | 129.7 Ų | 129.7 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | | | trans | -166.2 | 165.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 59 | L | 46.7 | Very low | 41.9 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 95% | 0.948 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 72.6 | 17.9 | 178.3 | -50.4 | -178.9 | 0 | 0 | 0 | 117.3 | | |
| 60 | L | 43.9 | Very low | 43 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | | | trans | -121.3 | 119.9 | 148.3 | -78.5 | 178.5 | 0 | 0 | 0 | 109.2 | W62 | L60-W62 PolarHBondContact O-N 2.72Š|
| 61 | G | 50.1 | Low | 44.1 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | | | trans | -78.1 | 43.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 62 | W | 37.3 | Very low | 45.2 | Very low | 172 Ų | 172 | 122.2 Ų | 122.2 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | | | trans | -105.2 | 107.3 | 179.7 | -65.7 | 70.8 | 0 | 0 | 0 | 108.3 | L60 | L60-W62 PolarHBondContact O-N 2.72Š|
| 63 | A | 49.8 | Very low | 45.2 | Very low | 44 Ų | 44 | 120.8 Ų | 120.8 | 36% | 0.364 | 70% | 0.696 | S | S | . | * | | | trans | -73.8 | 135.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | K65 D66 | A63-K65 HydrophobicContact CB-CD 4.25Å; A63-K65 HydrophobicContact CB-CG 3.72Å; A63-K65 PolarHBondContact O-N 2.61Å; A63-D66 PolarHBondContact O-N 3.15Å |
| 64 | Q | 47.5 | Very low | 45.6 | Very low | 172 Ų | 172 | 119.5 Ų | 119.5 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -15.8 | -174.9 | -171.1 | 172.6 | -14.9 | 0 | 0 | 115.3 | | |
| 65 | K | 55.8 | Low | 46.1 | Very low | 157 Ų | 157 | 117.6 Ų | 117.6 | 68% | 0.683 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71 | -25.4 | 173.2 | 50.3 | -178.9 | 172.3 | 178.8 | 0 | 115.4 | A63 | A63-K65 HydrophobicContact CB-CD 4.25Å; A63-K65 HydrophobicContact CB-CG 3.72Å; A63-K65 PolarHBondContact O-N 2.61Å |
| 66 | D | 56.1 | Low | 46.1 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -74.8 | -35.6 | -178.2 | -68.3 | -27.2 | 0 | 0 | 0 | 112 | A63 Q68 S69 E70 | A63-D66 PolarHBondContact O-N 3.15Å; D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 2.82Å; D66-S69 PolarHBondContact O-N 2.98Å; D66-E70 PolarHBondContact O-N 3.3Å |
| 67 | L | 51.9 | Low | 45.9 | Very low | 96 Ų | 96 | 118 Ų | 118 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -62.6 | -31.2 | 179.1 | -74.4 | 169.5 | 0 | 0 | 0 | 113.3 | S69 F71 | L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.42Å; L67-F71 HydrophobicContact CD2-CD2 4.16Å; L67-F71 HydrophobicContact CD2-CE2 4.14Å; L67-F71 PolarHBondContact O-N 2.86Å |
| 68 | Q | 50.3 | Low | 45.8 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 53% | 0.533 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -74.5 | -20.8 | 176.7 | -63.4 | -166.2 | -70.9 | 0 | 0 | 112.8 | D66 | D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 2.82Å |
| 69 | S | 54.5 | Low | 45.3 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -83.9 | -27.6 | 176.5 | -167.6 | 0 | 0 | 0 | 0 | 113.4 | D66 L67 | D66-S69 PolarHBondContact O-N 2.98Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.42Å |
| 70 | E | 53.5 | Low | 44.4 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -94.8 | -29.6 | -178.2 | -167.6 | 168.5 | -158.7 | 0 | 0 | 113.2 | D66 | D66-E70 PolarHBondContact O-N 3.3Å |
| 71 | F | 53.4 | Low | 43.6 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 61% | 0.614 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -108.7 | -4 | -175 | -68.4 | -81.7 | 0 | 0 | 0 | 115.7 | L67 V73 | L67-F71 HydrophobicContact CD2-CD2 4.16Å; L67-F71 HydrophobicContact CD2-CE2 4.14Å; L67-F71 PolarHBondContact O-N 2.86Å; F71-V73 PolarHBondContact O-N 3.25Å |
| 72 | G | 50.4 | Low | 42.7 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 66% | 0.664 | S | S | * | * | | | trans | 65.4 | 11.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A74 | G72-A74 PolarHBondContact O-N 3.25Š|
| 73 | V | 40.9 | Very low | 42.2 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 58% | 0.576 | 67% | 0.673 | S | S | * | * | | | trans | -79.8 | 86.7 | 178.9 | -172.5 | 0 | 0 | 0 | 0 | 110 | F71 T75 | F71-V73 PolarHBondContact O-N 3.25Å; V73-T75 HydrophobicContact CG1-CG2 4.14Å; V73-T75 PolarHBondContact O-N 2.86Å |
| 74 | A | 38.1 | Very low | 41.1 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | trans | -70.3 | 109 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G72 D76 | G72-A74 PolarHBondContact O-N 3.25Å; A74-D76 PolarHBondContact O-N 2.68Å |
| 75 | T | 40.3 | Very low | 40.2 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | | | trans | -85.6 | 90.7 | 170.9 | 53.6 | 0 | 0 | 0 | 0 | 109 | V73 S77 | V73-T75 HydrophobicContact CG1-CG2 4.14Å; V73-T75 PolarHBondContact O-N 2.86Å; T75-S77 VanDerWaalsContact C-N 3.28Å; T75-S77 PolarHBondContact O-N 2.71Å |
| 76 | D | 30.6 | Very low | 38.9 | Very low | 139 Ų | 139 | 116 Ų | 116 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | trans | -69.2 | 84 | 175.2 | -76 | -37 | 0 | 0 | 0 | 110.8 | A74 H78 | A74-D76 PolarHBondContact O-N 2.68Å; D76-H78 PolarHBondContact O-N 2.69Å |
| 77 | S | 34.9 | Very low | 37.4 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | trans | -74.4 | 55 | 179.6 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | T75 | T75-S77 VanDerWaalsContact C-N 3.28Å; T75-S77 PolarHBondContact O-N 2.71Å |
| 78 | H | 34.3 | Very low | 36.5 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | | | trans | -114 | 76.4 | 176.4 | -86.7 | -61.1 | 0 | 0 | 0 | 111.5 | D76 | D76-H78 PolarHBondContact O-N 2.69Š|
| 79 | H | 30.4 | Very low | 35.7 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 88% | 0.884 | 73% | 0.731 | S | S | * | * | | | trans | -129.6 | 129.9 | 160.9 | -86.9 | -73.8 | 0 | 0 | 0 | 112.3 | | |
| 80 | S | 28.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | | | trans | -81.2 | 162.2 | -177.5 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 81 | S | 27.7 | Very low | 33.5 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | | | trans | -59.1 | 164.6 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 82 | F | 31.4 | Very low | 32.5 | Very low | 202 Ų | 202 | 123.6 Ų | 123.6 | 89% | 0.886 | 74% | 0.738 | S | S | * | * | | | trans | 88.2 | 136.6 | 161.7 | -48.7 | -68.9 | 0 | 0 | 0 | 119.5 | | |
| 83 | G | 26.5 | Very low | 31.7 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | 129.2 | 86.7 | 142 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 84 | S | 27.2 | Very low | 31.3 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -72.4 | 154.6 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 85 | S | 28.3 | Very low | 30.8 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | 75.6 | 121.8 | 139.3 | 57.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 86 | S | 28 | Very low | 30.3 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | | 79.5 | 108.1 | 126.6 | 67.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 87 | W | 25.9 | Very low | 30.5 | Very low | 227 Ų | 227 | 140.2 Ų | 140.2 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 73.9 | 156.9 | 126 | -145.9 | -79.4 | 0 | 0 | 0 | 120.8 | | |
| 88 | S | 32.3 | Very low | 30.3 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | | | trans | 79.4 | 109.7 | 179.9 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 89 | Q | 32.8 | Very low | 30 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | cis | 51.1 | 118 | 44.7 | -80.2 | -168.7 | -12.8 | 0 | 0 | 114 | | |
| 90 | D | 29.9 | Very low | 30 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | trans | -145.9 | 158.3 | 161.4 | -151.6 | -19.4 | 0 | 0 | 0 | 109.5 | | |
| 91 | T | 31.9 | Very low | 30.2 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | 64 | 80.6 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 92 | S | 33.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -42.6 | 138 | 150 | 29.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 93 | Q | 32.6 | Very low | 31.1 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | | 77.5 | 144.1 | 64.3 | -76.4 | -167.3 | -11.5 | 0 | 0 | 116.4 | | |
| 94 | N | 32.1 | Very low | 31.3 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | trans | 82.7 | 121.6 | 165.7 | -52.6 | -55.8 | 0 | 0 | 0 | 118 | | |
| 95 | Y | 28.8 | Very low | 31.5 | Very low | 236 Ų | 236 | 137.4 Ų | 137.4 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | | -159.2 | 138.9 | 95.7 | -93.2 | -68.4 | 0 | 0 | 0 | 111.5 | | |
| 96 | S | 30.3 | Very low | 31.9 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -127.6 | 129.2 | 172.7 | -70.9 | 0 | 0 | 0 | 0 | 111 | | |
| 97 | L | 34.8 | Very low | 32.2 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | 58.1 | 83.4 | 151.9 | -61.8 | 169.2 | 0 | 0 | 0 | 120.1 | | |
| 98 | G | 29.6 | Very low | 32.9 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | | 89.6 | 150.9 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 99 | G | 29.2 | Very low | 33.1 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | trans | 151.9 | 96.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 100 | R | 30.4 | Very low | 33 | Very low | 249 Ų | 249 | 135.1 Ų | 135.1 | 94% | 0.94 | 81% | 0.809 | S | S | * | * | | | trans | 73.6 | 152.5 | 142.9 | -54.3 | 172.8 | 70.8 | -169.8 | 2.8 | 120.7 | | |
| 101 | S | 31.3 | Very low | 33.2 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -92.1 | 168.1 | 178.6 | -21.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 102 | P | 46.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | | -118.2 | 127.9 | 123.9 | 33.7 | -28 | 0 | 0 | 0 | 110.4 | | |
| 103 | V | 30.9 | Very low | 33.1 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | | 74.6 | 110.3 | 80.6 | 174 | 0 | 0 | 0 | 0 | 113.3 | | |
| 104 | G | 31 | Very low | 33.1 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -164.2 | 85.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 105 | D | 31.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 134.6 | -172.3 | -114 | -44.4 | 0 | 0 | 0 | 113 | | |
| 106 | T | 37.8 | Very low | 33.8 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -164.7 | 146.6 | 154.9 | 0.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 107 | G | 33.2 | Very low | 33.7 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | 95.9 | 62.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 108 | L | 41 | Very low | 33.8 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 98% | 0.979 | 79% | 0.793 | S | S | * | * | | | trans | 26.7 | 97.7 | 131.5 | -64.8 | 163.8 | 0 | 0 | 0 | 118.3 | | |
| 109 | G | 36.4 | Very low | 33.7 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -169.1 | 40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 110 | K | 30.9 | Very low | 33.7 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -100.8 | 123.1 | -162.2 | -141.4 | -169.2 | -174.5 | 173 | 0 | 115.3 | | |
| 111 | R | 33.6 | Very low | 33.8 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 73% | 0.725 | 79% | 0.79 | S | S | * | * | | | trans | 94.5 | 119.7 | 160.2 | -63.7 | 162 | -70.9 | -168.1 | -3.1 | 118.1 | | |
| 112 | D | 33.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | | 51.9 | 148 | 110.6 | -36.9 | -22.4 | 0 | 0 | 0 | 120.4 | | |
| 113 | W | 29.8 | Very low | 33.1 | Very low | 244 Ų | 244 | 133.3 Ų | 133.3 | 92% | 0.924 | 80% | 0.795 | S | S | * | * | | | trans | 69.6 | 142.5 | 177.3 | -55.3 | 84.1 | 0 | 0 | 0 | 113.7 | | |
| 114 | S | 32.6 | Very low | 33.4 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | cis | -174.3 | -148.3 | -12.3 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 115 | S | 36.7 | Very low | 33.3 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | 88.1 | 143.3 | 148.4 | 82.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 116 | K | 39.7 | Very low | 33.5 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | cis | -149.3 | 132 | -12.5 | -113.9 | 157.1 | 59.7 | -171.3 | 0 | 106.6 | | |
| 117 | C | 28.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | 58.8 | 126.4 | 87 | -49.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 118 | G | 35.8 | Very low | 33.9 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | | | trans | 127.2 | 86.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 119 | Q | 27.2 | Very low | 33.5 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | | | cis | 65.4 | 107.3 | 21.5 | -168.7 | 180 | 5.5 | 0 | 0 | 113.7 | | |
| 120 | G | 29.3 | Very low | 33.5 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | 116.3 | 65.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 121 | S | 33.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | | | | -168.9 | 144.5 | 125.6 | -143.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 122 | G | 30.7 | Very low | 33.5 | Very low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | cis | 101.8 | 131.2 | 5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 123 | E | 31.2 | Very low | 33.3 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | | | trans | 74.6 | 153.4 | 171.7 | -153.4 | 154.5 | -145.9 | 0 | 0 | 116.8 | | |
| 124 | G | 37.2 | Very low | 33.2 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | | | trans | 68.7 | 81 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 125 | S | 29.8 | Very low | 33 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | cis | 55.6 | 137.3 | 33.7 | -163.8 | 0 | 0 | 0 | 0 | 114 | | |
| 126 | T | 35.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | 73.6 | 146.4 | 174.3 | 82.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 127 | R | 40.3 | Very low | 32.1 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 63% | 0.634 | 76% | 0.756 | S | S | * | * | | | cis | -176.6 | 151.6 | -19.3 | 53.8 | -167.3 | -103.1 | -84.9 | -10.6 | 109 | | |
| 128 | E | 37.4 | Very low | 33 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 52% | 0.523 | 75% | 0.753 | S | S | . | * | | | trans | 64.5 | 161.1 | 145.5 | -66.5 | 159.8 | -131.7 | 0 | 0 | 117.9 | | |
| 129 | W | 32.8 | Very low | 33.2 | Very low | 210 Ų | 210 | 134 Ų | 134 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | | | cis | -136.9 | 141 | -7.9 | -113.1 | -19.2 | 0 | 0 | 0 | 108 | | |
| 130 | A | 35.9 | Very low | 33.9 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | | | | 53.2 | 137.1 | 99.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 131 | S | 34.3 | Very low | 34.4 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | cis | 152.8 | 151.4 | 7 | -91.3 | 0 | 0 | 0 | 0 | 103.9 | | |
| 132 | R | 30.8 | Very low | 35 | Very low | 250 Ų | 250 | 135 Ų | 135 | 94% | 0.943 | 75% | 0.748 | S | S | * | * | | | trans | -141 | 136 | 140.9 | -68.3 | -164.8 | -170 | -115.1 | 0.9 | 109.9 | | |
| 133 | H | 28.7 | Very low | 35.4 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | | | trans | -79.2 | 178.6 | 167.4 | -70.6 | -109.2 | 0 | 0 | 0 | 108.8 | | |
| 134 | S | 27.4 | Very low | 35.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | cis | -157.6 | 152.5 | 35.2 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 135 | L | 28.8 | Very low | 35.8 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | cis | 77.4 | 112.8 | 43.6 | -156.7 | 177.1 | 0 | 0 | 0 | 112.8 | | |
| 136 | G | 27.8 | Very low | 35.9 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | 172 | 136.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 137 | Q | 29.4 | Very low | 35.8 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | | | trans | -120.9 | 167.9 | 179.6 | -174.2 | 172.7 | -4 | 0 | 0 | 111 | | |
| 138 | E | 47.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -95.6 | 150.5 | -167 | 67.2 | -157.1 | 129.4 | 0 | 0 | 116.3 | | |
| 139 | V | 39.4 | Very low | 34.9 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 56.2 | 125.5 | 144 | 171 | 0 | 0 | 0 | 0 | 118.9 | | |
| 140 | I | 42.7 | Very low | 34.6 | Very low | 159 Ų | 159 | 133 Ų | 133 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | cis | -157.1 | 154.6 | -2.8 | -115.9 | 173.2 | 0 | 0 | 0 | 109 | | |
| 141 | G | 39.9 | Very low | 34 | Very low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | | | trans | 91.7 | 79.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | G143 | G141-G143 PolarHBondContact O-N 3.04Š|
| 142 | I | 46.2 | Very low | 35.2 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 96% | 0.959 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 44.3 | 57.2 | 153.3 | -33.9 | 177.4 | 0 | 0 | 0 | 115.7 | | |
| 143 | G | 39.3 | Very low | 35 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -179.5 | -175.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G141 | G141-G143 PolarHBondContact O-N 3.04Š|
| 144 | G | 37.7 | Very low | 35 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | | | trans | 99.3 | 132.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 145 | S | 39.6 | Very low | 35.2 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | -151 | 151.4 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 146 | Q | 32.3 | Very low | 35.3 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | 67.2 | 161 | 168 | -60.9 | -174.6 | -96.8 | 0 | 0 | 115.9 | | |
| 147 | D | 32.3 | Very low | 35.5 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | | | cis | -159.8 | 161.2 | -25.9 | -104.5 | -20.9 | 0 | 0 | 0 | 112.2 | | |
| 148 | E | 33.3 | Very low | 35.4 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | trans | 34.5 | 140.3 | 141.4 | -59.2 | -168.3 | 126.9 | 0 | 0 | 125.7 | | |
| 149 | S | 26.7 | Very low | 34.3 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | 74.1 | 168.5 | 136.1 | 83.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 150 | E | 26.6 | Very low | 33.7 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | cis | -148.1 | -152.4 | -20.4 | -130.7 | -174.6 | -173.9 | 0 | 0 | 111.3 | | |
| 151 | V | 23.6 | Very low | 33.7 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -112.6 | -128.1 | -160.7 | -159.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 152 | P | 57.9 | Low | 33.3 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -118.1 | -160.4 | -139.8 | 39 | -19.3 | 0 | 0 | 0 | 115.5 | | |
| 153 | V | 26.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | 143.7 | 119.7 | 137.4 | 165.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 154 | R | 30.3 | Very low | 33 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | 34.9 | 167.6 | 131.1 | -72.7 | 178.3 | -177.8 | -119 | 9.5 | 122.4 | | |
| 155 | E | 31.7 | Very low | 32.6 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 48% | 0.477 | 77% | 0.769 | S | S | . | * | | | cis | -179.7 | 141.7 | -13.1 | 162.7 | 174.9 | 178.6 | 0 | 0 | 111.6 | | |
| 156 | R | 29.5 | Very low | 32.1 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | | | trans | 62.3 | 167.7 | 152.3 | -168.2 | -170.9 | -61 | -126.3 | 3.6 | 119.5 | | |
| 157 | A | 31.7 | Very low | 32 | Very low | 78 Ų | 78 | 141 Ų | 141 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | | | | -169.9 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 158 | V | 28.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | | | trans | 74.8 | 142.3 | 167.7 | -170.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 159 | G | 24.7 | Very low | 32.5 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | cis | -175 | -174.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 160 | R | 26.8 | Very low | 33.2 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | | | trans | -75.8 | 168.1 | -179.4 | -102.3 | -176.7 | -177.6 | -153.7 | 1.9 | 113.3 | | |
| 161 | P | 42.4 | Very low | 33.6 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | cis | -141.1 | -144.4 | 44.6 | 41.2 | -18.5 | 0 | 0 | 0 | 115.9 | | |
| 162 | A | 31.1 | Very low | 34.1 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | -146.4 | 157.4 | -152.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 163 | Q | 47.6 | Very low | 33.3 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 62.6 | 122.8 | 152.8 | -72.9 | 178 | -11 | 0 | 0 | 122.6 | | |
| 164 | L | 31.8 | Very low | 33.7 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | | | trans | -170.9 | 132.8 | 149.7 | -115.1 | 171.3 | 0 | 0 | 0 | 113 | | |
| 165 | G | 30.6 | Very low | 33.8 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 64.5 | 115.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 166 | A | 28.3 | Very low | 33.9 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | cis | 110.4 | 129.4 | 13.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 167 | Q | 30.6 | Very low | 33.9 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | 73.8 | 96.8 | 172 | -58.6 | -171.2 | 2.9 | 0 | 0 | 119.7 | | |
| 168 | G | 30 | Very low | 33.9 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 156.8 | 84 | 151.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 169 | L | 45.9 | Very low | 34.2 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | S | Bend | cis | -103.6 | 106.4 | -17 | -94.4 | 160.6 | 0 | 0 | 0 | 106.3 | | |
| 170 | E | 41.5 | Very low | 34.7 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 46.2 | 72.2 | -176.2 | -150.6 | 119.9 | -121.4 | 0 | 0 | 114.6 | | |
| 171 | A | 35.3 | Very low | 35.1 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | | | trans | -58.3 | 159.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 172 | D | 34.2 | Very low | 34.6 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | cis | -146.6 | 138.1 | 16.3 | -136.3 | 15.7 | 0 | 0 | 0 | 106.2 | | |
| 173 | A | 40.3 | Very low | 34.7 | Very low | 67 Ų | 67 | 144 Ų | 144 | 55% | 0.554 | 77% | 0.774 | S | S | * | * | | | | 45.4 | 132.6 | 73.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 174 | Q | 34.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | cis | -164.4 | 169.8 | 0.8 | -129.8 | 167.1 | 13.5 | 0 | 0 | 110.5 | | |
| 175 | Q | 33 | Very low | 33.9 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | trans | 67.8 | 124.1 | 159.1 | -70.8 | 177.1 | 3.6 | 0 | 0 | 118 | | |
| 176 | W | 32.6 | Very low | 34.5 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | cis | -128.6 | 113.8 | -1.6 | -101.4 | 87.5 | 0 | 0 | 0 | 111 | F178 | W176-F178 HydrophobicContact CE3-CD2 4.39Å; W176-F178 HydrophobicContact CZ3-CD2 4.03Å |
| 177 | E | 29.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | trans | -69.4 | 145.4 | 146.4 | -65.4 | -178.3 | 101.2 | 0 | 0 | 108.6 | | |
| 178 | F | 31.8 | Very low | 34.2 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | | | | -167.5 | 133.8 | 118 | -115.7 | -78.2 | 0 | 0 | 0 | 110.3 | W176 | W176-F178 HydrophobicContact CE3-CD2 4.39Å; W176-F178 HydrophobicContact CZ3-CD2 4.03Å |
| 179 | G | 34.5 | Very low | 34.2 | Very low | 77 Ų | 77 | 146.3 Ų | 146.3 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | 121.8 | 69.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 180 | K | 36.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | | | trans | -144.9 | 155.5 | 178.6 | -115.5 | -75.2 | -173 | 179.2 | 0 | 110.1 | | |
| 181 | R | 35.9 | Very low | 32.9 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | 75.2 | 143.3 | 179.1 | -68.1 | 162.1 | -83.9 | -101.6 | -1.5 | 113.5 | | |
| 182 | E | 31.2 | Very low | 33 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | cis | -143.4 | 173.5 | 3.7 | -119.7 | 138.5 | -128.8 | 0 | 0 | 108.3 | | |
| 183 | S | 33.4 | Very low | 32.9 | Very low | 90 Ų | 90 | 146 Ų | 146 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | | | cis | -164.3 | 157.6 | 28.7 | 54.7 | 0 | 0 | 0 | 0 | 114 | | |
| 184 | Q | 27.8 | Very low | 32.7 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | | | trans | 64 | 122.5 | 146.7 | -70.5 | 170.8 | -1.3 | 0 | 0 | 123.1 | | |
| 185 | D | 35 | Very low | 32.7 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | | | trans | -95.7 | 166.5 | 140.3 | -52.3 | -73 | 0 | 0 | 0 | 109 | | |
| 186 | P | 42 | Very low | 32.7 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | | | | -160 | 170.2 | 84.3 | 43.3 | -23.3 | 0 | 0 | 0 | 119.2 | | |
| 187 | H | 27.9 | Very low | 32.6 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | 72.2 | 155 | 154.5 | -57.6 | -41.3 | 0 | 0 | 0 | 120.9 | | |
| 188 | S | 25.5 | Very low | 32.8 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | | | cis | -175.6 | 155.5 | -37.7 | -132.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 189 | I | 29.9 | Very low | 33 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | | | trans | 79.9 | 139.7 | 142.2 | -75.2 | 162.8 | 0 | 0 | 0 | 123.8 | | |
| 190 | H | 30.7 | Very low | 32.8 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | | | trans | 69.7 | 120.4 | 156.2 | -84.5 | -31.6 | 0 | 0 | 0 | 125.7 | | |
| 191 | D | 29.9 | Very low | 32.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | | | | 38.1 | 142.3 | 110.2 | -72.5 | -63.3 | 0 | 0 | 0 | 124.7 | | |
| 192 | K | 36.4 | Very low | 32.9 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 70% | 0.7 | 70% | 0.697 | S | S | * | * | | | trans | 65.6 | 115.5 | 142.1 | -84.9 | 174.6 | 160.5 | -83.2 | 0 | 121.5 | | |
| 193 | E | 31.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | | | | 71 | 150.9 | 111.6 | -149.4 | 180 | 155.8 | 0 | 0 | 119.6 | | |
| 194 | L | 37 | Very low | 32.7 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | | | trans | 68.9 | 156.8 | 173.5 | -45.8 | -177.4 | 0 | 0 | 0 | 115.4 | | |
| 195 | Q | 33.6 | Very low | 32.8 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | | | cis | -159.5 | 153.1 | -34.7 | -118 | -177.8 | -66.3 | 0 | 0 | 107.3 | | |
| 196 | D | 34.8 | Very low | 32.6 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 60% | 0.599 | 69% | 0.691 | S | S | * | * | | | trans | 47.5 | 167.7 | 143.2 | -53.7 | -13.9 | 0 | 0 | 0 | 121.8 | | |
| 197 | Q | 29.2 | Very low | 32 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | | | trans | 67.7 | 155.8 | 165.3 | -68.7 | 160 | 72.9 | 0 | 0 | 114.7 | | |
| 198 | E | 35.2 | Very low | 31.9 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | | | cis | -144 | 157.3 | 4.9 | -145.3 | -178.1 | 179.7 | 0 | 0 | 110.8 | | |
| 199 | F | 35.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | | | trans | 55.5 | 121.7 | 167 | -62.1 | -53.1 | 0 | 0 | 0 | 118 | K201 | F199-K201 HydrophobicContact CD1-CD 4Å; F199-K201 HydrophobicContact CD1-CG 4.17Å; F199-K201 VanDerWaalsContact CD1-NZ 3.32Å; F199-K201 HydrophobicContact CE1-CD 4.44Å; F199-K201 HydrophobicContact CG-CD 4.49Å; F199-K201 VanDerWaalsContact CZ-NZ 3.33Å |
| 200 | G | 29.1 | Very low | 31.8 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | | | cis | 75.8 | 159.4 | 14.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 201 | K | 37.5 | Very low | 31.6 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 60% | 0.6 | 71% | 0.712 | S | S | * | * | | | trans | 81.1 | 141.9 | -169.2 | -51.1 | 163 | -176.9 | 146 | 0 | 114.4 | F199 | F199-K201 HydrophobicContact CD1-CD 4Å; F199-K201 HydrophobicContact CD1-CG 4.17Å; F199-K201 VanDerWaalsContact CD1-NZ 3.32Å; F199-K201 HydrophobicContact CE1-CD 4.44Å; F199-K201 HydrophobicContact CG-CD 4.49Å; F199-K201 VanDerWaalsContact CZ-NZ 3.33Å |
| 202 | R | 36.9 | Very low | 31.5 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | | | cis | -165 | 162 | -21 | -116.8 | -167.8 | -119.9 | 162.5 | -5.5 | 110.2 | | |
| 203 | D | 30.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | | | trans | 54.2 | 107.3 | 137.9 | -56.7 | -4.9 | 0 | 0 | 0 | 122.1 | | |
| 204 | S | 30.2 | Very low | 31.5 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | | 92.3 | 159 | 104.8 | -64.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 205 | L | 29.7 | Very low | 31.5 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 95% | 0.953 | 73% | 0.728 | S | S | * | * | | | trans | 74.2 | 117.6 | 163.7 | -68 | 159 | 0 | 0 | 0 | 117 | | |
| 206 | G | 30.4 | Very low | 31.3 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | trans | -179.7 | 18.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F208 | G206-F208 PolarHBondContact O-N 3.34Å; G206-F208 VanDerWaalsContact O-N 3.11Å |
| 207 | S | 29.9 | Very low | 31 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | | | trans | -75.2 | 98.7 | 176.3 | -68 | 0 | 0 | 0 | 0 | 111.1 | | |
| 208 | F | 26.3 | Very low | 31.1 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | | | trans | -125.7 | 112.6 | 167.3 | -77 | -77 | 0 | 0 | 0 | 111.9 | G206 | G206-F208 PolarHBondContact O-N 3.34Å; G206-F208 VanDerWaalsContact O-N 3.11Å |
| 209 | S | 25.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -80.4 | 174.8 | 153.6 | -175.3 | 0 | 0 | 0 | 0 | 109 | | |
| 210 | T | 27.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | 84.3 | 110.8 | 178.7 | -34.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 211 | R | 26.1 | Very low | 30.6 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | | 80.4 | 136.8 | 67.5 | -125.3 | -171.6 | 179.6 | 132.2 | 1.6 | 113.4 | | |
| 212 | D | 27.8 | Very low | 30.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | | | trans | 55.7 | 103.9 | 156.5 | -50.2 | -31 | 0 | 0 | 0 | 119.4 | | |
| 213 | A | 30.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | | | trans | -114.6 | 58 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L215 | A213-L215 PolarHBondContact O-N 3.03Š|
| 214 | S | 36.7 | Very low | 30.2 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | trans | -84.3 | 102.5 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 215 | L | 36.8 | Very low | 30.2 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -115.2 | 96.4 | 162 | -65.6 | 171.8 | 0 | 0 | 0 | 105.8 | A213 | A213-L215 PolarHBondContact O-N 3.03Š|
| 216 | Q | 30.1 | Very low | 30.1 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | | 63 | 89.4 | 81.4 | -68.4 | -165.2 | -35.1 | 0 | 0 | 113 | | |
| 217 | D | 28.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | | | | 55.3 | 123.4 | 117.6 | -42.3 | -26.5 | 0 | 0 | 0 | 119.3 | | |
| 218 | W | 31.6 | Very low | 29.7 | Very low | 210 Ų | 210 | 138 Ų | 138 | 80% | 0.795 | 74% | 0.739 | S | S | * | * | | | | 173.5 | 98.3 | 110.1 | -99.2 | 80.6 | 0 | 0 | 0 | 105.8 | F220 | W218-F220 AromaticContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CE2 4.33Å; W218-F220 HydrophobicContact CH2-CE2 4.34Å; W218-F220 AromaticContact CZ3-CD2 3.54Å; W218-F220 HydrophobicContact CZ3-CD2 3.54Å; W218-F220 AromaticContact CZ3-CE2 3.76Å; W218-F220 HydrophobicContact CZ3-CE2 3.76Å |
| 219 | E | 31.2 | Very low | 29.8 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | | | | 44.8 | 117.7 | 83.5 | -60.2 | -152.7 | 133.3 | 0 | 0 | 114.3 | | |
| 220 | F | 30.6 | Very low | 29.9 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | | -178.3 | 122.5 | 99.7 | -119.1 | -93 | 0 | 0 | 0 | 115.6 | W218 | W218-F220 AromaticContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CE2 4.33Å; W218-F220 HydrophobicContact CH2-CE2 4.34Å; W218-F220 AromaticContact CZ3-CD2 3.54Å; W218-F220 HydrophobicContact CZ3-CD2 3.54Å; W218-F220 AromaticContact CZ3-CE2 3.76Å; W218-F220 HydrophobicContact CZ3-CE2 3.76Å |
| 221 | G | 29.2 | Very low | 29.9 | Very low | 44 Ų | 44 | 138.8 Ų | 138.8 | 45% | 0.454 | 73% | 0.734 | S | S | . | * | | | | 60.6 | 93.6 | 122.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | R223 | G221-R223 PolarHBondContact O-NE 3.2Å; G221-R223 PolarHBondContact O-NH2 2.91Å |
| 222 | K | 34.5 | Very low | 30 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | | | trans | -129 | 126.9 | 132.7 | -76 | -126.4 | -176.2 | 177.3 | 0 | 111.4 | | |
| 223 | R | 34 | Very low | 30 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | cis | -167.8 | 155.2 | -28.4 | -140.3 | 156.8 | -84.7 | -162.6 | -8 | 109.6 | G221 | G221-R223 PolarHBondContact O-NE 3.2Å; G221-R223 PolarHBondContact O-NH2 2.91Å |
| 224 | A | 27.9 | Very low | 29.9 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | | | trans | 65.6 | 131.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 225 | S | 28.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | cis | -143.1 | 140 | -5.5 | -76.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 226 | V | 27.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 83% | 0.83 | 72% | 0.722 | S | S | * | * | | | | 59.1 | 121.8 | 65.3 | -179 | 0 | 0 | 0 | 0 | 110.3 | | |
| 227 | S | 26.4 | Very low | 29.4 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | | | cis | -143.1 | 153.8 | 17.7 | 50 | 0 | 0 | 0 | 0 | 114 | | |
| 228 | T | 26.8 | Very low | 29.7 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | -70.7 | 138.9 | 149.3 | -50.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 229 | N | 26.9 | Very low | 29.9 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | | | trans | -139.5 | 142.4 | 156.6 | -86.4 | -28.6 | 0 | 0 | 0 | 108.3 | | |
| 230 | Q | 29 | Very low | 30.1 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | | | trans | -134.3 | 137.7 | 165.7 | 176.3 | 168.2 | 2.1 | 0 | 0 | 108 | | |
| 231 | D | 26.2 | Very low | 30 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | 68.9 | 162.6 | 172.7 | -56.9 | -19.9 | 0 | 0 | 0 | 118.8 | | |
| 232 | T | 28.1 | Very low | 30.3 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 65.5 | 88.2 | -174.8 | 50.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 233 | D | 27.7 | Very low | 30.1 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | | 89.8 | 136.4 | 117.1 | -60.6 | -27.4 | 0 | 0 | 0 | 122.9 | | |
| 234 | E | 29.2 | Very low | 30.2 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | 68.7 | 130.9 | 149.8 | -70.8 | -177.8 | 149.1 | 0 | 0 | 122.6 | | |
| 235 | N | 28.6 | Very low | 30.2 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | | | trans | 75.9 | 133 | 149.8 | -89.2 | 41.1 | 0 | 0 | 0 | 123 | | |
| 236 | D | 36 | Very low | 30 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 56% | 0.556 | 77% | 0.774 | S | S | * | * | | | trans | 66.7 | 110.5 | 145.7 | -55.2 | -31.2 | 0 | 0 | 0 | 118.6 | | |
| 237 | Q | 29.8 | Very low | 30 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | | 72.5 | 143.9 | 61.4 | -67.3 | -174.5 | 91.4 | 0 | 0 | 113.3 | | |
| 238 | E | 33.8 | Very low | 30.2 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 66.9 | 150.1 | 171.5 | -53.6 | -145.6 | 121.8 | 0 | 0 | 116.9 | | |
| 239 | L | 35.8 | Very low | 30.3 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | cis | -157.5 | 121 | -26.7 | -108.5 | 179.6 | 0 | 0 | 0 | 105.9 | | |
| 240 | G | 34.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -152.1 | 4.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 241 | M | 30.3 | Very low | 31 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -71.4 | 134.2 | 175.4 | -59.6 | -128.8 | 84 | 0 | 0 | 111.7 | | |
| 242 | K | 33.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 145 Ų | 145 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | | 164 | 112.4 | 128.8 | -82 | 141 | -139.9 | 156.1 | 0 | 114.2 | | |
| 243 | N | 31.6 | Very low | 31.5 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | | 46.9 | 110.2 | 128.9 | -52.4 | -11.8 | 0 | 0 | 0 | 122.2 | | |
| 244 | L | 35.2 | Very low | 31.9 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | | 43 | 129.1 | 121.2 | -64.7 | 168.9 | 0 | 0 | 0 | 121.8 | | |
| 245 | S | 28.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 123.8 | 153.1 | 137.3 | -53.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 246 | R | 24.4 | Very low | 32.3 | Very low | 253 Ų | 253 | 144.7 Ų | 144.7 | 96% | 0.955 | 76% | 0.764 | S | S | * | * | | | trans | 70.5 | 148.9 | -179 | -169.8 | -177.7 | -75.7 | -144.8 | -2.3 | 113 | | |
| 247 | G | 27.9 | Very low | 32.3 | Very low | 65 Ų | 65 | 144.4 Ų | 144.4 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | | | cis | 169.1 | 172 | -7.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 248 | Y | 30.3 | Very low | 32.4 | Very low | 240 Ų | 240 | 145.7 Ų | 145.7 | 94% | 0.941 | 76% | 0.761 | S | S | * | * | | | trans | -70.1 | 173.8 | -173.5 | -87.5 | -91.7 | 0 | 0 | 0 | 115.9 | | |
| 249 | S | 29.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 82 | 161.7 | 168.4 | -115.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 250 | S | 35.6 | Very low | 32.1 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -159.7 | 168.5 | 9.2 | -106.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 251 | Q | 33.8 | Very low | 32 | Very low | 143 Ų | 143 | 148.2 Ų | 148.2 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | | | cis | 175.7 | 153.4 | -17.9 | 164.6 | 176.1 | -3.8 | 0 | 0 | 110.9 | | |
| 252 | D | 32.1 | Very low | 32 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | 50.6 | 147.7 | 159.9 | -61.4 | -21.2 | 0 | 0 | 0 | 124 | | |
| 253 | A | 33.8 | Very low | 31.8 | Very low | 85 Ų | 85 | 148.1 Ų | 148.1 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | trans | -144.5 | 121.4 | 130 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 254 | E | 36.7 | Very low | 31.6 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | | 53.4 | 142.7 | 126.1 | -72.5 | 170.6 | 161.4 | 0 | 0 | 120.7 | | |
| 255 | E | 35 | Very low | 31.3 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | -147.4 | 145.1 | 10.4 | -116.3 | 176.1 | 159.3 | 0 | 0 | 109.3 | | |
| 256 | Q | 30.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | | 52.5 | 139.7 | 97.8 | -67.2 | -80.7 | -80.9 | 0 | 0 | 116.7 | | |
| 257 | D | 35.1 | Very low | 31.5 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 52% | 0.524 | 73% | 0.731 | S | S | . | * | | | cis | -168.1 | 168 | -21.7 | -155.9 | 3.9 | 0 | 0 | 0 | 110.4 | | |
| 258 | R | 32.9 | Very low | 31.4 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | 66.1 | 164.7 | 155.4 | -74.7 | 171.3 | -135.4 | -174.2 | 6.5 | 121 | | |
| 259 | E | 32.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 60% | 0.598 | 72% | 0.721 | S | S | * | * | | | cis | 173.4 | 121.2 | -31.7 | 173.7 | -177.1 | -166.8 | 0 | 0 | 106.9 | | |
| 260 | F | 30 | Very low | 31.3 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | | | | -177.9 | 107.5 | 119.3 | -106.2 | -60.3 | 0 | 0 | 0 | 113.2 | K262 | F260-K262 HydrophobicContact CD1-CD 4.38Š|
| 261 | E | 33.6 | Very low | 30.9 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | | | trans | -68.1 | 129.4 | 158.1 | 173.9 | -171.7 | -150.2 | 0 | 0 | 110.1 | | |
| 262 | K | 29 | Very low | 30.7 | Very low | 135 Ų | 135 | 141 Ų | 141 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | | | trans | -168.5 | 117 | 151.5 | -103.6 | 135.3 | -158.6 | 159.3 | 0 | 114.9 | F260 | F260-K262 HydrophobicContact CD1-CD 4.38Š|
| 263 | R | 29.7 | Very low | 30.4 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | 68.4 | 86.6 | 146.5 | -51 | 178.2 | -167.3 | 111.6 | -5.7 | 118.5 | | |
| 264 | D | 27 | Very low | 30.1 | Very low | 166 Ų | 166 | 146 Ų | 146 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | | | trans | -96.1 | 112.4 | 140.9 | -79.5 | -43.5 | 0 | 0 | 0 | 109.6 | | |
| 265 | S | 29.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -172.2 | 98.2 | 167.9 | -81.2 | 0 | 0 | 0 | 0 | 111 | | |
| 266 | V | 28.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 164.4 | 132.4 | 144.2 | 151 | 0 | 0 | 0 | 0 | 109.7 | | |
| 267 | L | 28.3 | Very low | 29.4 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | trans | 56.5 | 113.3 | -176 | -87.2 | 74.8 | 0 | 0 | 0 | 115.1 | | |
| 268 | D | 25.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | cis | 82.4 | 149.1 | 31.3 | -157.2 | 17.4 | 0 | 0 | 0 | 115.3 | | |
| 269 | I | 29.6 | Very low | 29 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 59% | 0.585 | 78% | 0.781 | S | S | * | * | | | trans | 89.4 | 111.1 | 173.5 | -54.2 | -176.7 | 0 | 0 | 0 | 117.9 | | |
| 270 | H | 28.1 | Very low | 28.8 | Very low | 132 Ų | 132 | 149 Ų | 149 | 61% | 0.611 | 79% | 0.792 | S | S | * | * | | | trans | 70.2 | 102.4 | 160.1 | -68.1 | -43.3 | 0 | 0 | 0 | 121.4 | S767 | H270-S767 WeakPolarHBondContact NE2-CB 3.11Š|
| 271 | G | 28.5 | Very low | 28.8 | Very low | 75 Ų | 75 | 150.8 Ų | 150.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 179.6 | 92.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R273 | G271-R273 PolarHBondContact O-N 3.17Š|
| 272 | S | 28.2 | Very low | 28.7 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | | | trans | -68.9 | 126.3 | -165.6 | -58.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 273 | R | 26.4 | Very low | 28.8 | Very low | 237 Ų | 237 | 150 Ų | 150 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | | | trans | -102.6 | 119.7 | 175.9 | 175.7 | -173.9 | -179.9 | -178.6 | 1.8 | 111.6 | G271 | G271-R273 PolarHBondContact O-N 3.17Š|
| 274 | A | 27.3 | Very low | 28.8 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -160.3 | 69 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 275 | T | 31.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | -148.9 | 65.9 | 168.6 | 40 | 0 | 0 | 0 | 0 | 113.1 | | |
| 276 | A | 28.6 | Very low | 28.7 | Very low | 84 Ų | 84 | 145.8 Ų | 145.8 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -158.4 | 43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 277 | Q | 26.8 | Very low | 28.7 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | 177.5 | 120 | 157.1 | -108.4 | 172.3 | -38.3 | 0 | 0 | 111.9 | | |
| 278 | Q | 30.2 | Very low | 28.5 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -166.5 | 115.8 | 131.8 | -114.7 | 176.6 | -3.1 | 0 | 0 | 109.9 | | |
| 279 | N | 29.3 | Very low | 28.5 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -146.1 | 55.3 | 172.2 | -138.4 | -16.4 | 0 | 0 | 0 | 109.2 | | |
| 280 | Q | 29.3 | Very low | 28.4 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -152.7 | 151.1 | 172.1 | -114.5 | 173.5 | 3.4 | 0 | 0 | 108.3 | | |
| 281 | E | 30.3 | Very low | 28.5 | Very low | 183 Ų | 183 | 158.4 Ų | 158.4 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | | | trans | 61.8 | 75 | -179.5 | -55.9 | -161.9 | 154.9 | 0 | 0 | 117.1 | | |
| 282 | F | 30.4 | Very low | 28.6 | Very low | 231 Ų | 231 | 160.4 Ų | 160.4 | 100% | 1.013 | 84% | 0.835 | S | S | * | * | | | trans | -126.8 | 109 | 131 | -111.8 | -85.9 | 0 | 0 | 0 | 108.9 | | |
| 283 | G | 32 | Very low | 28.8 | Very low | 64 Ų | 64 | 159.7 Ų | 159.7 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | | | trans | -158.6 | 110.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 284 | K | 28.4 | Very low | 28.9 | Very low | 202 Ų | 202 | 152 Ų | 152 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | | | trans | 79.8 | 91.8 | 154.1 | -53.9 | 170.2 | -172.4 | 171.5 | 0 | 117.7 | | |
| 285 | S | 28.2 | Very low | 28.8 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | | 64.1 | 117.4 | 126 | 64 | 0 | 0 | 0 | 0 | 121 | | |
| 286 | A | 27.1 | Very low | 28.8 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | | -155.9 | 120.7 | 122.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 287 | W | 27.5 | Very low | 28.7 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | | | trans | 60.9 | 115.9 | 144.2 | -69.4 | 58.5 | 0 | 0 | 0 | 121.9 | | |
| 288 | F | 25.3 | Very low | 28.8 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | | 35 | 153.4 | 126.7 | -80.5 | -86.7 | 0 | 0 | 0 | 123.2 | | |
| 289 | Q | 25.9 | Very low | 28.8 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | | | trans | 78 | 132.1 | 175.2 | -58.6 | 179.9 | -78.7 | 0 | 0 | 114.2 | | |
| 290 | D | 27.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 65% | 0.647 | 81% | 0.814 | S | S | * | * | | | cis | -148.2 | 140.7 | -7.6 | -89.6 | -39.8 | 0 | 0 | 0 | 109.6 | | |
| 291 | Y | 29.8 | Very low | 29 | Very low | 231 Ų | 231 | 143.3 Ų | 143.3 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -157.5 | 70.4 | 151.7 | -92.7 | -58.8 | 0 | 0 | 0 | 112.2 | | |
| 292 | S | 30.6 | Very low | 28.9 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -115 | 76.2 | 158.3 | -76.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 293 | S | 31.7 | Very low | 28.9 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -174.7 | 145.6 | 164.1 | -83.6 | 0 | 0 | 0 | 0 | 109 | | |
| 294 | G | 28.8 | Very low | 28.7 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | cis | -151.2 | -153.5 | 2.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 295 | G | 26 | Very low | 29.1 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | cis | -99.2 | 152.4 | 7.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 296 | G | 30.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | -108.4 | 147.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 297 | G | 27.5 | Very low | 29.4 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | 157.4 | 111.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 298 | S | 28.8 | Very low | 29.6 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | | | cis | -159.6 | 131.5 | 24.5 | -176 | 0 | 0 | 0 | 0 | 111.7 | | |
| 299 | R | 30.2 | Very low | 29.7 | Very low | 232 Ų | 232 | 132.5 Ų | 132.5 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | | | trans | 68.5 | 159.2 | 156.1 | -63.3 | 168.5 | -167.8 | -142.9 | 0.6 | 115.3 | | |
| 300 | V | 31.4 | Very low | 30.1 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | cis | -160.3 | 143.4 | -8 | 113.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 301 | L | 30.9 | Very low | 30.1 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | 60.9 | 159.1 | 173.9 | -62.3 | 161.1 | 0 | 0 | 0 | 115.9 | | |
| 302 | G | 28 | Very low | 30.2 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | cis | 166.9 | 98 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 303 | S | 31.5 | Very low | 30.5 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -80.1 | 143.8 | -171.5 | -47.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 304 | Q | 28 | Very low | 30.2 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -142.4 | 127.2 | 158.6 | -176 | 159.3 | 71.9 | 0 | 0 | 112.3 | | |
| 305 | E | 36.9 | Very low | 30.2 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -109.3 | 145.5 | 179.8 | -177.5 | -176.7 | -167.3 | 0 | 0 | 111.2 | | |
| 306 | R | 29.2 | Very low | 30.3 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 68% | 0.683 | 79% | 0.788 | S | S | * | * | | | trans | -165.5 | 132.8 | 166.9 | -159.9 | -174.9 | -55.9 | -133.3 | 0.5 | 109.4 | G805 | R306-G805 PolarHBondContact NH1-O 3.3Š|
| 307 | G | 32.3 | Very low | 30.1 | Very low | 51 Ų | 51 | 139 Ų | 139 | 53% | 0.526 | 79% | 0.789 | S | S | . | * | | | cis | 161.8 | 103.8 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 308 | F | 32.2 | Very low | 30.2 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | 62.4 | 145.6 | 159.8 | -57.7 | -78 | 0 | 0 | 0 | 122.2 | | |
| 309 | G | 27.1 | Very low | 30.9 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 171.9 | 88.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 310 | I | 34 | Very low | 31.1 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -106.3 | 141.3 | -174.7 | -61.4 | 169 | 0 | 0 | 0 | 111.6 | | |
| 311 | R | 26.6 | Very low | 31.3 | Very low | 243 Ų | 243 | 140.9 Ų | 140.9 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -152.9 | 133.2 | 147.8 | -154.9 | 172.7 | -72.2 | -135.2 | 1.3 | 114.9 | | |
| 312 | S | 31.7 | Very low | 31.9 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | trans | -74.2 | 172.4 | 171.4 | -48.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 313 | L | 36.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | cis | -168.1 | 175.9 | 3.4 | -130 | 168.8 | 0 | 0 | 0 | 110.2 | | |
| 314 | S | 26.1 | Very low | 33.1 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | 87.2 | 158.2 | 157.3 | 84.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 315 | S | 29.5 | Very low | 33.5 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | cis | -178.1 | 140.4 | -34.8 | -179.2 | 0 | 0 | 0 | 0 | 112 | | |
| 316 | G | 27.3 | Very low | 33.9 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | 96.2 | 150.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 317 | F | 26.2 | Very low | 34.6 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | | | cis | -125.7 | 141.4 | 0.3 | -85.1 | -106.5 | 0 | 0 | 0 | 109.1 | | |
| 318 | S | 30.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 150.8 Ų | 150.8 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | | | | 75.1 | 137.3 | 91 | -148.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 319 | P | 43.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | trans | -113.7 | 102.4 | -165.6 | 36.6 | -21.5 | 0 | 0 | 0 | 113.9 | | |
| 320 | E | 33.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | -143 | 28.8 | -172 | -145.6 | 86.2 | -141 | 0 | 0 | 113.8 | | |
| 321 | E | 36.4 | Very low | 36 | Very low | 203 Ų | 203 | 156.6 Ų | 156.6 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | | | trans | -110.3 | 28.1 | -171.6 | -67.8 | 171.6 | 134.2 | 0 | 0 | 113.9 | | |
| 322 | A | 42.5 | Very low | 36.7 | Very low | 91 Ų | 91 | 154.9 Ų | 154.9 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -121.7 | 135.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 323 | Q | 44.8 | Very low | 37.3 | Very low | 197 Ų | 197 | 156.7 Ų | 156.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 77.7 | 52.4 | -179.7 | -157.5 | 178.2 | -30.7 | 0 | 0 | 116.5 | | |
| 324 | Q | 39.6 | Very low | 37.4 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | | | trans | -157.7 | 69.1 | 164.4 | -124.6 | 166.1 | 60.2 | 0 | 0 | 113.6 | | |
| 325 | Q | 38.3 | Very low | 37.8 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -145.8 | 6.7 | 171.4 | -96.6 | -90.8 | -94.1 | 0 | 0 | 114.2 | | |
| 326 | D | 43.9 | Very low | 37.7 | Very low | 156 Ų | 156 | 153.7 Ų | 153.7 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -93.4 | 160.8 | 161.5 | -65.3 | -60.5 | 0 | 0 | 0 | 109.5 | | |
| 327 | E | 43.9 | Very low | 37.9 | Very low | 197 Ų | 197 | 158.4 Ų | 158.4 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 75.8 | 16.3 | 173.4 | -55.3 | -161.7 | 147.1 | 0 | 0 | 120.8 | | |
| 328 | E | 43.6 | Very low | 38 | Very low | 170 Ų | 170 | 154.3 Ų | 154.3 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -135.7 | 79.5 | 158.7 | -164 | 164.7 | -141.5 | 0 | 0 | 114.6 | | |
| 329 | F | 38.7 | Very low | 37.8 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | S | Bend | | -166.6 | 16.5 | 128.5 | -103.1 | -60.4 | 0 | 0 | 0 | 115.1 | K331 | F329-K331 PolarHBondContact O-N 2.81Š|
| 330 | E | 37.5 | Very low | 37.1 | Very low | 180 Ų | 180 | 161.3 Ų | 161.3 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | trans | -65.3 | 99.2 | 158.6 | -80.8 | -153.4 | 150.3 | 0 | 0 | 110.5 | | |
| 331 | K | 36.4 | Very low | 36.9 | Very low | 187 Ų | 187 | 159.3 Ų | 159.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -176.3 | 110.4 | 147.5 | -89.9 | 127.6 | -148.9 | 142.7 | 0 | 110 | F329 | F329-K331 PolarHBondContact O-N 2.81Š|
| 332 | K | 39.8 | Very low | 36.4 | Very low | 208 Ų | 208 | 157.7 Ų | 157.7 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | 162.6 | 91.4 | 132.9 | -76.9 | -122 | -176.3 | 174.6 | 0 | 111.3 | | |
| 333 | T | 44.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -83.8 | 167 | 152.9 | 51 | 0 | 0 | 0 | 0 | 110 | | |
| 334 | P | 40.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -128.2 | 155.7 | 130.1 | 36.5 | -30.3 | 0 | 0 | 0 | 112.8 | | |
| 335 | V | 32.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 155.1 Ų | 155.1 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | trans | -91 | 154.3 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | E337 | V335-E337 HydrophobicContact CG1-CG 3.79Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.39Å |
| 336 | G | 28.7 | Very low | 34 | Very low | 80 Ų | 80 | 152.4 Ų | 152.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -154.9 | 84.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 337 | E | 30.3 | Very low | 33.5 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -71.9 | 175.8 | 170.7 | -57.7 | 143.6 | 117 | 0 | 0 | 109.5 | V335 | V335-E337 HydrophobicContact CG1-CG 3.79Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.39Å |
| 338 | D | 28.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | | | cis | -170.6 | 171.7 | 28.6 | -172.5 | 18.1 | 0 | 0 | 0 | 111.3 | | |
| 339 | R | 27.5 | Very low | 31.9 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | | | trans | 79.7 | 140.5 | 158.4 | -49.8 | -171.8 | -56.6 | -178.4 | 8.3 | 118.5 | | |
| 340 | F | 28.3 | Very low | 31.4 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | -165 | 151.5 | -11 | -104.2 | -28.3 | 0 | 0 | 0 | 109.7 | | |
| 341 | C | 28.6 | Very low | 31.1 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | 53.2 | 169.5 | 149.5 | -68.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 342 | E | 26.4 | Very low | 30.9 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | cis | -173.2 | 136.8 | -37.7 | 178.9 | 169.2 | 167.6 | 0 | 0 | 107.8 | | |
| 343 | A | 26.6 | Very low | 30.5 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | trans | 61 | 146.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 344 | S | 29.1 | Very low | 29.7 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | 70.2 | 118.4 | 142.3 | -66.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 345 | R | 31.6 | Very low | 29.4 | Very low | 221 Ų | 221 | 135 Ų | 135 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | | 70.8 | 131.8 | 126.9 | -66.3 | -176.5 | 179.9 | 176.7 | -1.4 | 122.2 | | |
| 346 | D | 27.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | | | trans | 49.2 | 119.4 | 134.2 | -59.4 | -49.9 | 0 | 0 | 0 | 122.6 | | |
| 347 | V | 31.6 | Very low | 29.4 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | | | trans | 56.7 | 113.1 | 131.1 | -175.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 348 | G | 28.5 | Very low | 29.5 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -175.7 | 49 | 174.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 349 | H | 26.5 | Very low | 29.6 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | 33.4 | 123.1 | 136.5 | -165.5 | -116.2 | 0 | 0 | 0 | 122.8 | | |
| 350 | L | 28.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | trans | 107.9 | 152.6 | 137.7 | -145.5 | 63.8 | 0 | 0 | 0 | 122.4 | | |
| 351 | E | 31.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | 64.3 | 83.6 | 168 | -60.6 | -137.9 | 133.1 | 0 | 0 | 121.2 | | |
| 352 | E | 31.9 | Very low | 30.3 | Very low | 193 Ų | 193 | 128.8 Ų | 128.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | | 30.7 | 120.5 | 108 | -167.5 | 164.8 | -172.8 | 0 | 0 | 119.8 | | |
| 353 | G | 30.7 | Very low | 30.5 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 178.4 | 78.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 354 | A | 27.7 | Very low | 31.6 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | 58.1 | 101.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 355 | S | 34 | Very low | 31.5 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | | 62.3 | 110.1 | 121.4 | -52.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 356 | G | 30.6 | Very low | 31.4 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | | | trans | 141.7 | 87.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 357 | G | 31.7 | Very low | 31.5 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | 170.1 | 142 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 358 | L | 32.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -144.6 | 149.8 | 176.4 | -59.3 | 172.7 | 0 | 0 | 0 | 106.9 | | |
| 359 | L | 31.4 | Very low | 31.2 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | cis | -150.9 | 163.9 | 28.1 | -72.3 | 164.5 | 0 | 0 | 0 | 113.1 | | |
| 360 | S | 33.5 | Very low | 31.2 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | 72 | 156.5 | 153 | -61.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 361 | P | 36.6 | Very low | 31 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | cis | -118.9 | -141.4 | 3.1 | 42.2 | -27 | 0 | 0 | 0 | 114.7 | | |
| 362 | S | 27.2 | Very low | 30.7 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | -106.8 | 140.9 | -143.9 | -43.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 363 | T | 31.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | 62.1 | 159.6 | 142.3 | 52.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 364 | P | 49.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | cis | -136.5 | 144.5 | -28.6 | 34.9 | -17.1 | 0 | 0 | 0 | 115.2 | | |
| 365 | H | 27.9 | Very low | 31.1 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -153.8 | 161.3 | 153.5 | -158.6 | 59.5 | 0 | 0 | 0 | 112.1 | | |
| 366 | S | 29.8 | Very low | 30.8 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | | | trans | -113.6 | 147.6 | 175.3 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 367 | R | 28.6 | Very low | 30.6 | Very low | 201 Ų | 201 | 132.1 Ų | 132.1 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | | 174.3 | 156.3 | 128.9 | -96.5 | -175.1 | 85.8 | 163 | 1 | 112.9 | | |
| 368 | D | 26.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | | | trans | 35.8 | 140.1 | 147.2 | -50.7 | 10 | 0 | 0 | 0 | 120.9 | | |
| 369 | G | 27.1 | Very low | 30.2 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | cis | 141.8 | 155.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 370 | A | 26.4 | Very low | 30 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -164.7 | 113.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 371 | A | 26.2 | Very low | 29.8 | Very low | 97 Ų | 97 | 138 Ų | 138 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | cis | 65.1 | 50.5 | 2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 372 | R | 25.1 | Very low | 29.4 | Very low | 237 Ų | 237 | 135.4 Ų | 135.4 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | | | trans | -151.5 | 153.6 | 138.9 | -98.6 | -124.2 | 142.1 | 168.5 | -7.8 | 111.9 | | |
| 373 | P | 39.4 | Very low | 29.4 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -130.9 | -169.9 | -137.1 | 43.3 | -28.9 | 0 | 0 | 0 | 113.3 | | |
| 374 | K | 31.5 | Very low | 29.2 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | | | | -135.7 | 129.6 | 128 | -132 | 175.6 | -177.9 | -175.6 | 0 | 111.8 | | |
| 375 | D | 27.3 | Very low | 28.3 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -87.3 | 166.4 | 168.9 | -147.6 | -24.8 | 0 | 0 | 0 | 108.9 | | |
| 376 | E | 27.7 | Very low | 28.4 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | 56.9 | 124.7 | 169.9 | -53 | 176.6 | 125.2 | 0 | 0 | 116.8 | | |
| 377 | G | 27 | Very low | 28.4 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | cis | -169.7 | -151.9 | -1.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 378 | S | 26 | Very low | 28.5 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | cis | -168.2 | 173.6 | -5 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 379 | W | 28.1 | Very low | 28.8 | Very low | 217 Ų | 217 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | 74 | 115.5 | 177.4 | -46.4 | 98.5 | 0 | 0 | 0 | 113.3 | | |
| 380 | Q | 28.1 | Very low | 29 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | | 87.5 | 151.7 | 55.9 | -70.9 | -90.2 | 16.6 | 0 | 0 | 111.9 | | |
| 381 | D | 29.7 | Very low | 29.3 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | 64.5 | 144.7 | -164.2 | -50.3 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 382 | G | 27 | Very low | 29.5 | Very low | 74 Ų | 74 | 152.2 Ų | 152.2 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | cis | 106.7 | 120 | 24.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 383 | D | 28.1 | Very low | 29.7 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | cis | -142.9 | 175.3 | 21.5 | -146.9 | -32 | 0 | 0 | 0 | 112.3 | | |
| 384 | S | 27.5 | Very low | 29.2 | Very low | 90 Ų | 90 | 151.4 Ų | 151.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | trans | -88 | 162.9 | 179.1 | 72.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 385 | S | 30.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | 60.3 | 90.3 | 152.6 | -45.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 386 | Q | 28.9 | Very low | 29.4 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 97% | 0.972 | 79% | 0.794 | S | S | * | * | | | trans | -92.5 | 103.9 | 153.5 | -81.2 | -166.1 | -2.4 | 0 | 0 | 111.3 | | |
| 387 | E | 30.1 | Very low | 29.4 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -89.3 | 177.2 | 154.4 | -164 | 180 | 176.6 | 0 | 0 | 109.4 | | |
| 388 | I | 31 | Very low | 29.4 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | | | trans | 92.3 | 69.9 | 162.9 | -44.5 | -176.7 | 0 | 0 | 0 | 117.6 | | |
| 389 | T | 32.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | | 75.1 | 138.8 | 123.5 | -15.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 390 | R | 30.4 | Very low | 29.4 | Very low | 224 Ų | 224 | 147.4 Ų | 147.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | 89.2 | 127.1 | 160.1 | -57.4 | -173.7 | -176 | 165 | 4 | 114.9 | | |
| 391 | L | 33.2 | Very low | 29.2 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | cis | -148.9 | 148.2 | 17.3 | -109.1 | 144.3 | 0 | 0 | 0 | 114.2 | | |
| 392 | Q | 30.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | 70.7 | 95.6 | 140.4 | -160 | 164.6 | 22.2 | 0 | 0 | 123.3 | | |
| 393 | G | 28.3 | Very low | 30 | Very low | 80 Ų | 80 | 146.6 Ų | 146.6 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | 92.4 | 147.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 394 | R | 28.9 | Very low | 29.9 | Very low | 238 Ų | 238 | 145.8 Ų | 145.8 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | cis | -148.3 | 134.4 | -2.2 | -179.4 | -175.1 | -176.5 | -162.7 | 2.8 | 109 | | |
| 395 | M | 30.7 | Very low | 30 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | -100.5 | 164 | 178.4 | -60.5 | -76.1 | 95.6 | 0 | 0 | 109.7 | | |
| 396 | Q | 33.1 | Very low | 29.9 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | cis | -159.4 | -173.7 | -9.4 | -124.5 | 172 | 9.1 | 0 | 0 | 109.7 | | |
| 397 | A | 28.1 | Very low | 29.9 | Very low | 76 Ų | 76 | 145 Ų | 145 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | | | trans | -17.6 | 161 | 151 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 398 | E | 26.5 | Very low | 29.9 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | cis | -168 | -171.4 | 12.2 | -141.9 | 173.9 | 133.1 | 0 | 0 | 112.1 | | |
| 399 | S | 26.8 | Very low | 29.8 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | trans | 100.6 | 121.4 | 139.7 | 76.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 400 | Q | 28 | Very low | 29.9 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | 73.2 | 99 | 130.9 | -69.1 | 176.7 | 66.2 | 0 | 0 | 122.1 | | |
| 401 | S | 24.3 | Very low | 30.1 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | | 73.5 | 158.2 | 110.4 | -63 | 0 | 0 | 0 | 0 | 120.2 | | |
| 402 | P | 47.5 | Very low | 29.8 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | | | trans | -126.1 | 162.6 | -140.6 | 41.8 | -29.8 | 0 | 0 | 0 | 116.8 | | |
| 403 | T | 24.6 | Very low | 29.8 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | | | trans | -166.6 | 165.9 | 133.3 | 32.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 404 | N | 26.2 | Very low | 30 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | | | trans | -41.5 | 157 | 158 | -58.1 | -50.3 | 0 | 0 | 0 | 112.1 | | |
| 405 | V | 28.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | | | | -152.1 | 171.1 | 55.9 | -129.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 406 | D | 28.1 | Very low | 30.1 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | | | trans | 75 | 138.4 | 154.8 | -63.9 | -19.7 | 0 | 0 | 0 | 118.8 | | |
| 407 | L | 30.3 | Very low | 29.8 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | | 69.4 | 127.4 | 54.8 | -94.1 | 81.6 | 0 | 0 | 0 | 111 | | |
| 408 | E | 28.8 | Very low | 29.9 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | cis | -143.5 | -162.7 | -1.7 | -67.1 | -175.2 | 101.8 | 0 | 0 | 109 | | |
| 409 | D | 29.6 | Very low | 30.1 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | | | trans | 72 | 160.8 | 137 | -81.8 | -19.3 | 0 | 0 | 0 | 118.1 | | |
| 410 | K | 34.9 | Very low | 30.6 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | | | cis | -159.7 | 173.4 | -7.8 | -122.9 | 162.3 | -171.1 | 140.5 | 0 | 107.5 | | |
| 411 | E | 34.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | cis | -160.5 | 154.4 | -4.3 | -157.8 | 150.4 | -137.1 | 0 | 0 | 106.6 | | |
| 412 | R | 28.4 | Very low | 31.4 | Very low | 223 Ų | 223 | 137.2 Ų | 137.2 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | | | trans | -155.7 | 92.9 | 137.2 | -139.2 | 168.4 | -82.2 | -89.4 | 5.6 | 114.2 | | |
| 413 | E | 30.3 | Very low | 31 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 43% | 0.43 | 71% | 0.711 | S | S | . | * | | | trans | 40.3 | 117.5 | 136.7 | -56.7 | -172.9 | 92.4 | 0 | 0 | 119.6 | R415 | E413-R415 IonicContact OE1-CZ 2.69Å; E413-R415 VanDerWaalsContact OE1-CZ 3.24Å; E413-R415 IonicContact OE1-NH1 3.58Å; E413-R415 PolarHBondContact OE1-NH1 2.97Å; E413-R415 IonicContact OE1-NH2 2.69Å; E413-R415 PolarHBondContact OE1-NH2 3Å |
| 414 | Q | 31.6 | Very low | 31.4 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | | | | -155.6 | 152.3 | 97.7 | -104.8 | 146.9 | 107.1 | 0 | 0 | 113.7 | | |
| 415 | R | 32.6 | Very low | 31.7 | Very low | 197 Ų | 197 | 131.6 Ų | 131.6 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | | | trans | -84.3 | 153.5 | -179 | -65 | 160.6 | -85.9 | -85.5 | -2.9 | 109.4 | E413 | E413-R415 IonicContact OE1-CZ 2.69Å; E413-R415 VanDerWaalsContact OE1-CZ 3.24Å; E413-R415 IonicContact OE1-NH1 3.58Å; E413-R415 PolarHBondContact OE1-NH1 2.97Å; E413-R415 IonicContact OE1-NH2 2.69Å; E413-R415 PolarHBondContact OE1-NH2 3Å |
| 416 | G | 28.5 | Very low | 31.9 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | | | cis | 156.7 | -168.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 417 | W | 28 | Very low | 32.1 | Very low | 261 Ų | 261 | 128.1 Ų | 128.1 | 99% | 0.989 | 68% | 0.683 | S | S | * | * | | | trans | 79.6 | 161.8 | 175.1 | -57.8 | 95.2 | 0 | 0 | 0 | 117.8 | | |
| 418 | A | 30.2 | Very low | 32.3 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | | | trans | -157 | 170.9 | -152.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 419 | G | 30.9 | Very low | 32.6 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | | | trans | 86.7 | 164.9 | 167 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 420 | E | 36.2 | Very low | 32.5 | Very low | 145 Ų | 145 | 130 Ų | 130 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | | | cis | -168.9 | -164.7 | -19.2 | -144.5 | 175.6 | -110.5 | 0 | 0 | 109.5 | | |
| 421 | F | 31.7 | Very low | 32.4 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | | | trans | 76.1 | 162.7 | 166.5 | -43.7 | -56.6 | 0 | 0 | 0 | 116.1 | G851 T852 | F421-G851 CarbonylContact O-C 3.59Å; F421-G851 WeakPolarHBondContact O-CA 3.49Å; F421-T852 WeakPolarHBondContact CB-OG1 3.48Å; F421-T852 PolarHBondContact O-N 3.19Å |
| 422 | S | 38.3 | Very low | 32.2 | Very low | 60 Ų | 60 | 122.7 Ų | 122.7 | 42% | 0.42 | 69% | 0.685 | S | S | . | * | | | cis | 163.7 | 131.5 | -29.2 | -84.9 | 0 | 0 | 0 | 0 | 113.4 | D850 | S422-D850 CarbonylContact C-O 2.91Å; S422-D850 WeakPolarHBondContact CA-O 3.32Å; S422-D850 PolarHBondContact N-O 3.29Å; S422-D850 CarbonylContact O-C 3.53Å; S422-D850 WeakPolarHBondContact O-CB 3.46Å |
| 423 | L | 38.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | | | trans | 104.1 | 76.3 | 141 | -67.5 | 157.8 | 0 | 0 | 0 | 126.8 | D850 | L423-D850 PolarHBondContact N-O 2.74Å; L423-D850 VanDerWaalsContact N-O 3.08Å; L423-D850 WeakPolarHBondContact O-CB 3.49Å |
| 424 | G | 33 | Very low | 32.1 | Very low | 34 Ų | 34 | 120.3 Ų | 120.3 | 35% | 0.351 | 69% | 0.689 | S | S | . | * | | | | 76.6 | -165.6 | 127.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 425 | V | 32.3 | Very low | 33.3 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 66% | 0.661 | 69% | 0.685 | S | S | * | * | | | cis | -151.5 | 95.7 | 9.3 | -174.9 | 0 | 0 | 0 | 0 | 115.4 | E848 | V425-E848 PolarHBondContact N-OE1 3.08Å; V425-E848 PolarHBondContact N-OE2 2.99Å |
| 426 | A | 33.6 | Very low | 33 | Very low | 79 Ų | 79 | 111.7 Ų | 111.7 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | | | | 63.4 | 172.4 | 124.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | E848 | A426-E848 PolarHBondContact N-OE2 3.29Š|
| 427 | A | 32.8 | Very low | 33 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 79% | 0.793 | 69% | 0.694 | S | S | * | * | | | trans | 106.1 | 145.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 428 | Q | 34.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 113.7 Ų | 113.7 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | | | cis | -179.8 | 158.6 | -37 | -109.5 | -76.7 | -1.3 | 0 | 0 | 109.4 | | |
| 429 | S | 34.7 | Very low | 33.4 | Very low | 88 Ų | 88 | 114.2 Ų | 114.2 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | | | trans | 53.7 | 167.1 | 159.7 | 87.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 430 | E | 28.3 | Very low | 33.4 | Very low | 180 Ų | 180 | 121.3 Ų | 121.3 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | | | cis | -152.6 | -178.8 | -0.2 | -144.2 | 160.6 | 134.4 | 0 | 0 | 112.2 | | |
| 431 | A | 31.5 | Very low | 33.2 | Very low | 89 Ų | 89 | 119 Ų | 119 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | | | trans | -109.4 | 170.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 432 | A | 30.1 | Very low | 33.2 | Very low | 43 Ų | 43 | 122.3 Ų | 122.3 | 36% | 0.355 | 69% | 0.686 | S | S | . | * | | | trans | -174.4 | 141.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | P879 | A432-P879 WeakPolarHBondContact O-CG 3.36Š|
| 433 | F | 28.5 | Very low | 33 | Very low | 194 Ų | 194 | 124.6 Ų | 124.6 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | | | trans | 7.3 | 135.8 | 159.6 | -56.6 | -73.7 | 0 | 0 | 0 | 125.6 | P879 | F433-P879 VanDerWaalsContact C-CD 3.41Å; F433-P879 VanDerWaalsContact C-CG 3.49Å |
| 434 | S | 29.4 | Very low | 32.6 | Very low | 71 Ų | 71 | 123 Ų | 123 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | | | trans | -88.4 | -164 | 163.4 | -4.6 | 0 | 0 | 0 | 0 | 111.5 | P879 | S434-P879 VanDerWaalsContact N-CD 3.29Å; S434-P879 WeakPolarHBondContact OG-CD 2.96Å; S434-P879 WeakPolarHBondContact OG-CG 3.34Å |
| 435 | P | 56.3 | Low | 32.6 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | | | cis | -126.8 | -175.5 | -32.4 | 37.1 | -20.7 | 0 | 0 | 0 | 112.4 | | |
| 436 | G | 26.7 | Very low | 32.6 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | | | trans | -169.7 | 137.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 437 | R | 27.9 | Very low | 32.4 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | | | trans | -84.1 | 156.6 | 170.4 | -55.9 | 166.4 | 101.1 | -82.1 | -1.1 | 111 | D439 | R437-D439 IonicContact CZ-OD2 3.16Å; R437-D439 IonicContact NH1-OD2 3.42Å; R437-D439 PolarHBondContact NH1-OD2 3.3Å; R437-D439 IonicContact NH2-OD2 2.71Å |
| 438 | Q | 32.7 | Very low | 32.4 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | | | | -171.5 | 146.8 | 112.7 | -108.8 | 178.7 | -12 | 0 | 0 | 114.9 | | |
| 439 | D | 33.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 59% | 0.594 | 71% | 0.707 | S | S | * | * | | | trans | -104.5 | 139.7 | -177.3 | -31.7 | -98 | 0 | 0 | 0 | 111.7 | R437 | R437-D439 IonicContact CZ-OD2 3.16Å; R437-D439 IonicContact NH1-OD2 3.42Å; R437-D439 PolarHBondContact NH1-OD2 3.3Å; R437-D439 IonicContact NH2-OD2 2.71Å |
| 440 | W | 31.7 | Very low | 32.4 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | | | trans | -143.5 | 117.1 | 156.4 | -70.1 | 87.9 | 0 | 0 | 0 | 106.6 | | |
| 441 | S | 31 | Very low | 32.9 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | | | | 65.4 | 136.2 | 81.2 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 442 | R | 32.5 | Very low | 32.9 | Very low | 207 Ų | 207 | 127.6 Ų | 127.6 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | | | cis | -169.5 | 177.3 | 14.8 | -128.7 | -176.9 | 153.4 | 170.9 | -11.9 | 109.5 | | |
| 443 | D | 33.4 | Very low | 33.2 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 58% | 0.583 | 73% | 0.725 | S | S | * | * | | | cis | -160.6 | -173.1 | 4.5 | -142.2 | 4.4 | 0 | 0 | 0 | 105.5 | | |
| 444 | V | 31 | Very low | 33.5 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | cis | -164.4 | 147.1 | -0.1 | 66.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 445 | C | 31.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | trans | 60.9 | 157.5 | 158.4 | -75.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 446 | V | 32.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | | | cis | -173.2 | 149.4 | -1.3 | 128.3 | 0 | 0 | 0 | 0 | 105.8 | | |
| 447 | E | 31 | Very low | 33 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | cis | -156.4 | 141.4 | -9.4 | -106.1 | 162.9 | -174.9 | 0 | 0 | 107.2 | | |
| 448 | A | 31.1 | Very low | 33.4 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | | | | 82.4 | 145.6 | 91.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 449 | S | 34.4 | Very low | 33.4 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | trans | 65.8 | 141.8 | 172.4 | -66.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 450 | E | 34.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | cis | -162.2 | -177 | -22.3 | -129.6 | 158.5 | 136.7 | 0 | 0 | 113.1 | | |
| 451 | S | 38.7 | Very low | 33.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | -61 | -179.4 | -178.8 | 71.6 | 0 | 0 | 0 | 0 | 116 | | |
| 452 | S | 32.1 | Very low | 33.4 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | | | cis | -163.2 | 152.2 | 21.6 | 50.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 453 | Y | 35.9 | Very low | 33.4 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 28.8 | 110.4 | 142.2 | -71 | -88.5 | 0 | 0 | 0 | 122.5 | | |
| 454 | Q | 35.3 | Very low | 33.4 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | | 45.1 | 116.5 | 107.5 | -175.7 | -177.6 | 11 | 0 | 0 | 119.9 | | |
| 455 | F | 32.5 | Very low | 33.3 | Very low | 210 Ų | 210 | 129.3 Ų | 129.3 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | | | | -156.6 | 173 | 122.7 | -101.5 | -69.6 | 0 | 0 | 0 | 109.3 | | |
| 456 | G | 37.6 | Very low | 33.3 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | | | trans | -136.1 | -156.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 457 | I | 32.1 | Very low | 33.1 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | trans | 93.4 | 104.1 | -176.1 | -56.5 | 177.3 | 0 | 0 | 0 | 114.7 | | |
| 458 | I | 36.7 | Very low | 33.1 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | trans | 44.8 | 117.9 | 140.7 | -49.6 | 172.3 | 0 | 0 | 0 | 118.8 | | |
| 459 | G | 31 | Very low | 33.3 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | | | trans | -169.9 | 133.1 | 161 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 460 | N | 32 | Very low | 33.4 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | | | trans | -86.8 | -176.1 | 178.6 | -75.3 | -6.3 | 0 | 0 | 0 | 112.1 | | |
| 461 | D | 31.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | | | trans | 84.1 | 169.5 | 166.9 | -139.2 | -33.9 | 0 | 0 | 0 | 115.9 | K486 | D461-K486 WeakPolarHBondContact OD2-CE 3.13Å; D461-K486 IonicContact OD2-NZ 3.62Å; D461-K486 PolarHBondContact OD2-NZ 3.06Å |
| 462 | R | 34.3 | Very low | 32.9 | Very low | 236 Ų | 236 | 132.4 Ų | 132.4 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | | | trans | 88.3 | 126 | -170.7 | -64.1 | -172.5 | 174.2 | -167.2 | -3 | 115.1 | | |
| 463 | V | 33.1 | Very low | 33 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | cis | -149 | 154.1 | -6 | -158.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 464 | S | 33.7 | Very low | 33.1 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 57% | 0.573 | 77% | 0.769 | S | S | * | * | | | | -162.4 | 118.9 | 128.5 | -87.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 465 | G | 27.6 | Very low | 32.8 | Very low | 47 Ų | 47 | 129.8 Ų | 129.8 | 49% | 0.485 | 78% | 0.775 | S | S | . | * | | | trans | 141.9 | 108.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 466 | A | 32.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | cis | 178.9 | 150.1 | -28.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 467 | G | 27.8 | Very low | 32 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | 82.9 | 155.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 468 | L | 30.1 | Very low | 31.7 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | cis | -137.3 | 158.4 | -6 | -72 | 172.5 | 0 | 0 | 0 | 110 | | |
| 469 | S | 36.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -135 | 109.2 | 164.3 | -78.5 | 0 | 0 | 0 | 0 | 111 | | |
| 470 | P | 36 | Very low | 31.3 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -134.2 | 139.1 | 154.9 | 35.9 | -21.9 | 0 | 0 | 0 | 114.1 | | |
| 471 | S | 29.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 53.5 | 118.6 | 149.7 | -166.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 472 | R | 32.8 | Very low | 32.1 | Very low | 221 Ų | 221 | 127.3 Ų | 127.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | | 1.2 | 144.9 | 129.6 | -71.8 | 179.2 | 161.6 | -154.6 | -6.5 | 119.3 | | |
| 473 | K | 33.6 | Very low | 31.9 | Very low | 184 Ų | 184 | 119.7 Ų | 119.7 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | 84.1 | 100.4 | 151 | -78.2 | -176.4 | 172.9 | -171.9 | 0 | 119.4 | | |
| 474 | S | 37.9 | Very low | 32 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | 47.5 | 104.5 | 128 | 62.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 475 | G | 29.1 | Very low | 32 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 159.6 | 126.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 476 | G | 26.8 | Very low | 32.3 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | | | trans | -86.2 | 156.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 477 | G | 26.7 | Very low | 32.6 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 160.1 | 92.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 478 | H | 26.4 | Very low | 33 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | 41.8 | 107.2 | 140.8 | -154.5 | -78.7 | 0 | 0 | 0 | 122.1 | | |
| 479 | F | 27.4 | Very low | 33.1 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 79% | 0.789 | 80% | 0.801 | S | S | * | * | | | trans | 13 | 132.7 | 148.6 | -66.9 | -88.4 | 0 | 0 | 0 | 122.7 | | |
| 480 | V | 32.2 | Very low | 33.5 | Very low | 129 Ų | 129 | 127 Ų | 127 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | | | | 171.5 | 139.8 | 99.5 | 161.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 481 | P | 40.1 | Very low | 34 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -111.7 | 157.2 | 174 | 40.3 | -32.2 | 0 | 0 | 0 | 115.1 | | |
| 482 | P | 40.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | | -144.9 | -180 | 115.7 | 38.1 | -22.4 | 0 | 0 | 0 | 112.8 | | |
| 483 | G | 30 | Very low | 35.4 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | cis | -166.6 | -178.5 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 484 | E | 33.8 | Very low | 35.9 | Very low | 190 Ų | 190 | 122.1 Ų | 122.1 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -103.1 | 153.9 | -161.6 | -54.9 | -178.5 | 139.5 | 0 | 0 | 116.1 | | |
| 485 | T | 33.7 | Very low | 36.5 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -144.7 | 156 | 156.3 | 42.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 486 | K | 34.9 | Very low | 37.5 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | trans | -106 | 159.8 | -172.1 | -77.4 | -178.5 | 167.5 | -179.3 | 0 | 114 | D461 | D461-K486 WeakPolarHBondContact OD2-CE 3.13Å; D461-K486 IonicContact OD2-NZ 3.62Å; D461-K486 PolarHBondContact OD2-NZ 3.06Å |
| 487 | A | 38 | Very low | 38.7 | Very low | 72 Ų | 72 | 125.4 Ų | 125.4 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 158.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 488 | G | 36.5 | Very low | 39.8 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 173.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 489 | A | 33 | Very low | 40.7 | Very low | 108 Ų | 108 | 129 Ų | 129 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 164 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 490 | V | 44.9 | Very low | 41.6 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | | | trans | -120.4 | 137.9 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 491 | D | 46.5 | Very low | 41.9 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | trans | -97.4 | 154.6 | -177.3 | -172.2 | 28.8 | 0 | 0 | 0 | 112.8 | T493 | D491-T493 PolarHBondContact OD2-OG1 2.8Š|
| 492 | W | 42.3 | Very low | 41.8 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 72% | 0.716 | 76% | 0.762 | S | S | * | * | | | trans | -98.9 | 3 | -166.4 | -82 | 77.9 | 0 | 0 | 0 | 115.2 | D494 Q495 | W492-D494 PolarHBondContact O-N 2.79Å; W492-Q495 VanDerWaalsContact CZ3-NE2 3.3Å |
| 493 | T | 48.2 | Very low | 41.4 | Very low | 107 Ų | 107 | 135 Ų | 135 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -7 | -163.9 | -50.5 | 0 | 0 | 0 | 0 | 115.1 | D491 | D491-T493 PolarHBondContact OD2-OG1 2.8Š|
| 494 | D | 46 | Very low | 41.4 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -18.8 | -176.2 | -93.4 | -42.7 | 0 | 0 | 0 | 116.4 | W492 L496 R499 | W492-D494 PolarHBondContact O-N 2.79Å; D494-L496 PolarHBondContact O-N 2.92Å; D494-R499 IonicContact OD1-CZ 3.7Å; D494-R499 IonicContact OD1-NH1 3.74Å; D494-R499 PolarHBondContact OD1-NH1 3.13Å; D494-R499 IonicContact OD1-NH2 2.79Å; D494-R499 PolarHBondContact OD1-NH2 2.8Å |
| 495 | Q | 48.5 | Very low | 41.1 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -4.8 | -165.8 | -64.7 | -171.3 | 21.7 | 0 | 0 | 116.1 | W492 | W492-Q495 VanDerWaalsContact CZ3-NE2 3.3Š|
| 496 | L | 52 | Low | 41 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 5.9 | -169.9 | -64.5 | 179.4 | 0 | 0 | 0 | 116.1 | D494 L498 | D494-L496 PolarHBondContact O-N 2.92Å; L496-L498 PolarHBondContact O-N 3.07Å |
| 497 | G | 51.8 | Low | 40.9 | Very low | 61 Ų | 61 | 131.7 Ų | 131.7 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | 67.9 | 0.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | R499 | G497-R499 PolarHBondContact O-N 2.82Å; G497-R499 VanDerWaalsContact O-N 3.13Å |
| 498 | L | 49.2 | Very low | 40.6 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -87.8 | 57.6 | -175.4 | -65.6 | 178.9 | 0 | 0 | 0 | 114.3 | L496 | L496-L498 PolarHBondContact O-N 3.07Š|
| 499 | R | 45.9 | Very low | 40.3 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | | | trans | -95 | 102.5 | 164.2 | 13.1 | -84 | -161.7 | 157.2 | 6.1 | 110.5 | D494 G497 | D494-R499 IonicContact OD1-CZ 3.7Å; D494-R499 IonicContact OD1-NH1 3.74Å; D494-R499 PolarHBondContact OD1-NH1 3.13Å; D494-R499 IonicContact OD1-NH2 2.79Å; D494-R499 PolarHBondContact OD1-NH2 2.8Å; G497-R499 PolarHBondContact O-N 2.82Å; G497-R499 VanDerWaalsContact O-N 3.13Å |
| 500 | N | 46.5 | Very low | 40.2 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -177.5 | 33.9 | 157.8 | -99.6 | -36.6 | 0 | 0 | 0 | 113.3 | | |
| 501 | L | 38.8 | Very low | 39.5 | Very low | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | | | trans | -156.9 | 77.7 | 178 | -117.1 | 155.9 | 0 | 0 | 0 | 111.4 | | |
| 502 | E | 36.7 | Very low | 39.4 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | -104 | 116.7 | 172.2 | -70.1 | -176.3 | 165.3 | 0 | 0 | 110.8 | | |
| 503 | V | 32.1 | Very low | 38.9 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | -141 | 131.9 | 151.7 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 504 | S | 30.5 | Very low | 38.2 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 146 | -163.3 | -40.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 505 | S | 28.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -177.6 | 152 | 134.2 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 506 | C | 30.1 | Very low | 36.7 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | cis | -154.4 | 153.4 | -24.7 | -108.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 507 | V | 32.3 | Very low | 35.6 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -23.5 | 133 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 508 | S | 32.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -157.8 | 119.7 | 137.3 | -75.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 509 | S | 31.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | trans | -130.4 | 147.6 | 179.2 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 510 | E | 30.1 | Very low | 33 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | 58.4 | 158.1 | 172.1 | -68 | 138.7 | 104.4 | 0 | 0 | 116.7 | | |
| 511 | G | 31 | Very low | 32.3 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | cis | -154.3 | 174.2 | -2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 512 | P | 44 | Very low | 31.9 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -107.1 | -170.1 | -157.4 | 41.5 | -37.3 | 0 | 0 | 0 | 115.8 | | |
| 513 | S | 30.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | 82.2 | 158.2 | 176.3 | 77.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 514 | E | 33.8 | Very low | 32 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | cis | -165.6 | 159.7 | -46.5 | -174.6 | 175.2 | 126.6 | 0 | 0 | 106.2 | R516 | E514-R516 IonicContact OE1-NH2 3.24Å; E514-R516 PolarHBondContact OE1-NH2 3.47Å |
| 515 | A | 30 | Very low | 32.2 | Very low | 67 Ų | 67 | 130.5 Ų | 130.5 | 55% | 0.554 | 76% | 0.762 | S | S | * | * | | | trans | -22.9 | 137.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 516 | R | 32.4 | Very low | 32.6 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | | -153.4 | 134.9 | 67.1 | -85.6 | 129.3 | -95.5 | -99.3 | -11.4 | 109.7 | E514 | E514-R516 IonicContact OE1-NH2 3.24Å; E514-R516 PolarHBondContact OE1-NH2 3.47Å |
| 517 | E | 30.6 | Very low | 32.6 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | | 79.4 | 132.1 | 87.8 | -153.4 | -156.4 | 134.9 | 0 | 0 | 115.2 | | |
| 518 | N | 27.4 | Very low | 32.5 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | 90.6 | 154.4 | 155.8 | 87.5 | 49.5 | 0 | 0 | 0 | 122.6 | | |
| 519 | V | 30.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 60.6 | 115.5 | 168.5 | -173.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 520 | V | 33.6 | Very low | 32.2 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | trans | -72.3 | 126.4 | 159.4 | 168.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 521 | G | 32.4 | Very low | 32.3 | Very low | 63 Ų | 63 | 130.3 Ų | 130.3 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | trans | 8.4 | 157.9 | 159 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 522 | Q | 29 | Very low | 32.3 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -156.7 | 156.4 | 130.9 | -105 | -56.5 | -5.6 | 0 | 0 | 110.9 | | |
| 523 | M | 43.2 | Very low | 31.6 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | | | trans | -98.2 | 133.8 | 174.7 | -161 | 74.4 | 164.2 | 0 | 0 | 109 | | |
| 524 | G | 29.7 | Very low | 31.6 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | trans | -152.1 | 135 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 525 | W | 33.8 | Very low | 31.4 | Very low | 221 Ų | 221 | 132 Ų | 132 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | | | trans | -110.4 | 154.2 | -168.9 | -76.7 | 36.5 | 0 | 0 | 0 | 113 | | |
| 526 | S | 36.5 | Very low | 31.5 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | 78.3 | 138.1 | 149.3 | -70.5 | 0 | 0 | 0 | 0 | 122 | | |
| 527 | D | 30.1 | Very low | 31.4 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | 61.9 | 115.1 | 143.3 | -55.7 | -19.4 | 0 | 0 | 0 | 122 | | |
| 528 | S | 29.7 | Very low | 31.2 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | | -157.8 | 130.1 | 115.1 | 2.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 529 | L | 31.5 | Very low | 31.2 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | | | trans | 36.3 | 126.5 | 137.6 | -45.7 | 176 | 0 | 0 | 0 | 119.1 | | |
| 530 | G | 26.5 | Very low | 31.5 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | 115.8 | 103.9 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 531 | L | 31.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | -146.5 | 118.7 | 169.4 | -82.1 | -177.4 | 0 | 0 | 0 | 112.9 | | |
| 532 | N | 31.7 | Very low | 31 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | trans | 60.1 | 150.2 | 148.6 | -67.1 | -33.1 | 0 | 0 | 0 | 121.9 | | |
| 533 | N | 30.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | cis | -167.6 | 160.2 | -35.9 | -151.3 | -10.5 | 0 | 0 | 0 | 109.4 | | |
| 534 | G | 30.8 | Very low | 30.1 | Very low | 54 Ų | 54 | 134.6 Ų | 134.6 | 56% | 0.557 | 77% | 0.771 | S | S | * | * | | | trans | 103 | 99.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 535 | D | 28.8 | Very low | 30 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 66 | 141.4 | 138 | -63.3 | -15 | 0 | 0 | 0 | 121.2 | | |
| 536 | L | 32.5 | Very low | 29.7 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | cis | -153.6 | 174 | 1.2 | -122 | 167.7 | 0 | 0 | 0 | 113.5 | | |
| 537 | A | 30.2 | Very low | 29.6 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | | | trans | -27.8 | 130 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 538 | R | 26.1 | Very low | 30.1 | Very low | 224 Ų | 224 | 133.4 Ų | 133.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | | 67.7 | 120.9 | 74 | -77.4 | -179.2 | 161.9 | -165 | -1.4 | 116.5 | | |
| 539 | R | 27.6 | Very low | 30 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 68.7 | 125.6 | 140.2 | -69.4 | -178.9 | 171.9 | -90.4 | -1.3 | 121.2 | | |
| 540 | L | 36.8 | Very low | 29.6 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | | | trans | 41.2 | 106.6 | 131 | -71.3 | 154 | 0 | 0 | 0 | 119.9 | | |
| 541 | G | 27.7 | Very low | 29.7 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | | | | -128.7 | 146.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 542 | T | 28.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | | | cis | 49.8 | 111 | 37.1 | 58.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 543 | G | 26.4 | Very low | 29.6 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | trans | 129.3 | 127.3 | 153 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 544 | E | 25.8 | Very low | 29.7 | Very low | 199 Ų | 199 | 130.1 Ų | 130.1 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | | | trans | 67.4 | 160.2 | 145.8 | -59.6 | 172.4 | 169.5 | 0 | 0 | 117.9 | | |
| 545 | S | 28.3 | Very low | 29.5 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | cis | -170.9 | 173.5 | -36 | -167.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 546 | E | 26.2 | Very low | 30 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 53.4 | 89.5 | 160.5 | -74.6 | 179.4 | 95.9 | 0 | 0 | 119.1 | | |
| 547 | E | 34.9 | Very low | 30.1 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | | | | -42.4 | 133.2 | 120.7 | 167.2 | 179 | -166.4 | 0 | 0 | 109.2 | | |
| 548 | P | 41.8 | Very low | 30.1 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 42% | 0.416 | 75% | 0.751 | S | S | . | * | | | | -161.9 | 176.8 | 91.2 | 45.5 | -25.8 | 0 | 0 | 0 | 119.5 | | |
| 549 | R | 26.9 | Very low | 30.2 | Very low | 216 Ų | 216 | 138.2 Ų | 138.2 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | | | trans | 80.2 | 142.6 | 158.2 | -66.8 | 155.4 | -157.6 | 140.4 | 9.1 | 116.6 | | |
| 550 | S | 23.1 | Very low | 30.3 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | cis | -178.5 | 164 | -8 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 551 | L | 28 | Very low | 29.8 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | | | trans | 77.9 | 143 | 148.2 | -74.5 | 156 | 0 | 0 | 0 | 120.4 | | |
| 552 | G | 30.7 | Very low | 29.8 | Very low | 64 Ų | 64 | 133.1 Ų | 133.1 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | | | trans | 117.6 | 106.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 553 | V | 29.7 | Very low | 29.9 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | | | cis | 64.9 | 122 | 40.1 | -168.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 554 | G | 32.5 | Very low | 30.1 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | | | cis | -139.3 | 178 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 555 | E | 27.9 | Very low | 30.2 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | | 66 | 131.8 | 80.6 | -162 | 176.3 | -156.9 | 0 | 0 | 113.9 | | |
| 556 | K | 37.8 | Very low | 30.2 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | | | cis | 177.9 | 141.7 | -31.6 | -109.5 | 176.6 | 174.4 | 179.2 | 0 | 105.9 | | |
| 557 | D | 35 | Very low | 30.6 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 58% | 0.583 | 75% | 0.747 | S | S | * | * | | | trans | 57 | 162.1 | 139 | -50.3 | -28.3 | 0 | 0 | 0 | 123.1 | | |
| 558 | W | 30.2 | Very low | 30.3 | Very low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | | | trans | 75.7 | 145.6 | 168.3 | -44.7 | 104.3 | 0 | 0 | 0 | 116 | | |
| 559 | T | 29.6 | Very low | 29.8 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | cis | -122.4 | 163.7 | 22 | 48 | 0 | 0 | 0 | 0 | 116.2 | | |
| 560 | S | 28.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | trans | -91.8 | 161.8 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 561 | S | 26.4 | Very low | 31 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | | 140.7 | 134 | 117.4 | 68.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 562 | V | 28 | Very low | 31 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | | | | 75.9 | 108.6 | 129.7 | 167.4 | 0 | 0 | 0 | 0 | 121 | | |
| 563 | E | 29.5 | Very low | 30.8 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | trans | 59.9 | 156.1 | 131.2 | -62.3 | -166.8 | 124 | 0 | 0 | 122.2 | | |
| 564 | A | 30.4 | Very low | 30.9 | Very low | 84 Ų | 84 | 141.8 Ų | 141.8 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | cis | -174.2 | 160.8 | -26.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 565 | R | 28.6 | Very low | 30.8 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | | | | -173.7 | 157.7 | 118.2 | -173.8 | 156.8 | -76.2 | -116.6 | 1 | 110 | | |
| 566 | N | 28.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | -130.5 | 171.7 | -173.8 | -160.1 | -18.1 | 0 | 0 | 0 | 109.1 | | |
| 567 | R | 35 | Very low | 30.3 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | trans | 83.9 | 116.6 | 158 | -61.6 | -170.7 | 85 | 137.4 | 11.3 | 121.8 | | |
| 568 | D | 27.6 | Very low | 30.1 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | | | | 101.1 | 150.4 | 116.3 | -63.4 | -2.9 | 0 | 0 | 0 | 122.7 | | |
| 569 | L | 32.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | | | trans | -86.8 | -160.2 | -176.5 | -64.2 | 166 | 0 | 0 | 0 | 109.8 | | |
| 570 | P | 49.4 | Very low | 30.2 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | cis | -145.9 | -174.7 | 3.6 | 44.9 | -24.8 | 0 | 0 | 0 | 118.1 | | |
| 571 | G | 25.6 | Very low | 30.4 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 124.4 | 151.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 572 | Q | 27.5 | Very low | 30.8 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | cis | -162.7 | 130.8 | -12.5 | 174.8 | 170 | -6.6 | 0 | 0 | 111.6 | | |
| 573 | A | 26.8 | Very low | 31.1 | Very low | 75 Ų | 75 | 149.5 Ų | 149.5 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | trans | 58.2 | 136.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 574 | E | 30.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 86.1 | 115 | 132.1 | -77.2 | 179.9 | 127.8 | 0 | 0 | 125.3 | | |
| 575 | V | 30.4 | Very low | 31.2 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | | 77.1 | 116.3 | 127.2 | 175.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 576 | G | 29.1 | Very low | 31.7 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -177 | 111.7 | 159 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 577 | R | 27.2 | Very low | 31.9 | Very low | 220 Ų | 220 | 137.8 Ų | 137.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -103.4 | 170.5 | 178 | -89.4 | -169.8 | 171.9 | -157.7 | -0.6 | 111.5 | | |
| 578 | H | 31 | Very low | 32 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | | | trans | 83.4 | 135.6 | 165.4 | -49.3 | -85.6 | 0 | 0 | 0 | 116 | | |
| 579 | S | 30.3 | Very low | 33 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -171.9 | 162.5 | -15.8 | 42.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 580 | Q | 30.1 | Very low | 33.3 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | | | trans | 108.7 | 132.2 | 142 | -159.7 | 162.5 | -12.8 | 0 | 0 | 119.1 | | |
| 581 | A | 32.8 | Very low | 32.5 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | 57.7 | 104.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 582 | R | 35.8 | Very low | 32.9 | Very low | 224 Ų | 224 | 141.4 Ų | 141.4 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | | 60.7 | 106.3 | 76.5 | -67.9 | -178.8 | 173.9 | -91 | 2.6 | 112.3 | | |
| 583 | E | 33.9 | Very low | 33.1 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | | 67.5 | 107.9 | 56.1 | -162.2 | -171.9 | 167.2 | 0 | 0 | 111 | | |
| 584 | S | 31.2 | Very low | 33.2 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | 85.6 | 149.1 | 66.1 | 152.8 | 0 | 0 | 0 | 0 | 114 | | |
| 585 | G | 31.6 | Very low | 33.5 | Very low | 60 Ų | 60 | 138.9 Ų | 138.9 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | | | trans | 99.5 | 114.1 | -162.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 586 | V | 38.7 | Very low | 33.6 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 96% | 0.964 | 80% | 0.801 | S | S | * | * | | | cis | 65.8 | 116.4 | 37.3 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 587 | G | 31.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 151.3 | 84.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 588 | E | 36.9 | Very low | 33.9 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -78.2 | 150.4 | 149.7 | -167.1 | 173.9 | -113.5 | 0 | 0 | 107.8 | | |
| 589 | P | 50 | Low | 33.9 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | | -145.4 | 151 | 117.1 | 37.2 | -23.7 | 0 | 0 | 0 | 115 | | |
| 590 | D | 39.3 | Very low | 34.3 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -56.9 | 155.1 | 162.3 | -89.5 | -45.8 | 0 | 0 | 0 | 113.5 | | |
| 591 | W | 32.3 | Very low | 34.5 | Very low | 241 Ų | 241 | 134.5 Ų | 134.5 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | | | trans | -141.9 | 105.4 | 151 | -83.4 | 101.6 | 0 | 0 | 0 | 111.7 | | |
| 592 | S | 34.1 | Very low | 34.9 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -74.5 | 142.1 | 166.2 | -50.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 593 | G | 31 | Very low | 34.7 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -170 | 75.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 594 | A | 29.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | | | trans | 62.2 | 160.6 | 145 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 595 | E | 35.7 | Very low | 35.2 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | | | trans | -98.2 | 135.3 | -176.9 | -58.9 | 164.8 | 108.9 | 0 | 0 | 112.8 | | |
| 596 | A | 33.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 136 Ų | 136 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | | | trans | -171.6 | 154.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 597 | G | 30.4 | Very low | 35.2 | Very low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | 171.4 | 70.3 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 598 | E | 31.7 | Very low | 35.4 | Very low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | 67.3 | 168.8 | 155.2 | -53.5 | -171.1 | 114.8 | 0 | 0 | 121.3 | | |
| 599 | F | 32 | Very low | 35.2 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | 81.1 | 75.3 | 161 | -53.3 | -61.1 | 0 | 0 | 0 | 122.9 | | |
| 600 | L | 38.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | | | | 85.7 | 144.8 | 112.7 | -78.6 | 173.6 | 0 | 0 | 0 | 122.9 | | |
| 601 | K | 34.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | 76.3 | 123.5 | 149.9 | -74.5 | 157.4 | -175.4 | 170 | 0 | 117.4 | | |
| 602 | S | 40.3 | Very low | 34.2 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | cis | -163.3 | 170.8 | -1.3 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 603 | R | 32.5 | Very low | 34.2 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | 79.4 | 132.8 | 138.9 | -157.9 | 159.5 | -162.3 | 140.2 | 23.8 | 116.9 | | |
| 604 | E | 33.2 | Very low | 34.8 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 44% | 0.439 | 78% | 0.775 | S | S | . | * | | | cis | -160.1 | 145 | -5.4 | -130.3 | 169.6 | 167.3 | 0 | 0 | 111.1 | | |
| 605 | R | 41.3 | Very low | 34.8 | Very low | 208 Ų | 208 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | 54.6 | 145.5 | 162.3 | -56.7 | -170.5 | -102.9 | -67.4 | -8.6 | 118.2 | | |
| 606 | G | 35.7 | Very low | 34.8 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | cis | 168.6 | 119.9 | -4.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 607 | V | 36.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | | | trans | -91.3 | 145.6 | -174.4 | -174 | 0 | 0 | 0 | 0 | 110.5 | | |
| 608 | G | 34.7 | Very low | 34.7 | Very low | 76 Ų | 76 | 144.5 Ų | 144.5 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -165.4 | 65.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 609 | Q | 34.1 | Very low | 34.8 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -74.3 | 141.5 | 157.2 | -78.8 | -74.8 | 1.4 | 0 | 0 | 108.9 | | |
| 610 | A | 34.6 | Very low | 34.8 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -148 | 119.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 611 | D | 33.8 | Very low | 34.5 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | | | trans | -93.4 | 167.5 | 172.5 | -96.5 | -53.7 | 0 | 0 | 0 | 111.9 | | |
| 612 | W | 32.2 | Very low | 34.4 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | trans | -86.1 | 141.8 | -159.8 | -66.6 | 69.2 | 0 | 0 | 0 | 114.9 | | |
| 613 | T | 33.1 | Very low | 34.5 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | | | trans | -149.1 | 130.1 | 151.7 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 614 | P | 44.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | | | trans | -100.8 | 115.9 | 179.4 | 34.7 | -28.3 | 0 | 0 | 0 | 112.2 | | |
| 615 | D | 29.8 | Very low | 34.1 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | -93.3 | 140.9 | 172 | -89.7 | -32.7 | 0 | 0 | 0 | 112.6 | | |
| 616 | L | 35.1 | Very low | 33.5 | Very low | 178 Ų | 178 | 136 Ų | 136 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | | | trans | -129.7 | 130.8 | 169.8 | -79.7 | 174.6 | 0 | 0 | 0 | 109.7 | | |
| 617 | G | 30 | Very low | 33.1 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | | | trans | 99.5 | 86.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 618 | L | 32.9 | Very low | 32.7 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 95% | 0.953 | 83% | 0.832 | S | S | * | * | | | trans | -76.5 | 126.9 | 158.1 | -72.4 | 172.8 | 0 | 0 | 0 | 109.8 | | |
| 619 | R | 32.6 | Very low | 32.9 | Very low | 243 Ų | 243 | 139.9 Ų | 139.9 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | | | trans | -128 | 137.7 | 162.2 | -85.7 | -173.7 | 168.7 | -107.4 | -2 | 109.4 | | |
| 620 | N | 32.9 | Very low | 32.7 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | | | trans | -52 | 146.7 | -169.4 | -43.5 | -22.5 | 0 | 0 | 0 | 114.6 | | |
| 621 | M | 31.3 | Very low | 32.6 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 91% | 0.911 | 84% | 0.841 | S | S | * | * | | | | -156.8 | 162.8 | 109.4 | -100.4 | -54.4 | 176 | 0 | 0 | 111.7 | | |
| 622 | A | 32.9 | Very low | 32.9 | Very low | 86 Ų | 86 | 137 Ų | 137 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | | | trans | -100.5 | -159.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 623 | P | 40.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | cis | -140.5 | 175.7 | 8.6 | 43.7 | -25.5 | 0 | 0 | 0 | 117.8 | | |
| 624 | G | 26.8 | Very low | 32.7 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | trans | 134.4 | 106.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 625 | A | 31.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 93% | 0.934 | 82% | 0.824 | S | S | * | * | | | trans | 58 | 144 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 626 | G | 27.8 | Very low | 32.4 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | cis | 175.7 | 163.9 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 627 | C | 27 | Very low | 32.1 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | | | trans | 68.6 | 106.7 | 167.8 | -57.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 628 | S | 28.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -86.2 | -168.8 | 151.3 | -31 | 0 | 0 | 0 | 0 | 110 | | |
| 629 | P | 40 | Very low | 32.1 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | cis | -127.7 | -178.9 | -15.1 | 40.8 | -25.3 | 0 | 0 | 0 | 113.3 | | |
| 630 | G | 28.7 | Very low | 32.1 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 173.5 | 60.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 631 | E | 32.3 | Very low | 32.1 | Very low | 189 Ų | 189 | 127 Ų | 127 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -73.4 | 165.3 | 154.9 | -89.4 | -168.9 | 138.7 | 0 | 0 | 110.4 | | |
| 632 | P | 41.5 | Very low | 32.2 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | cis | -152.3 | -170.3 | 35.8 | 45.2 | -24.6 | 0 | 0 | 0 | 118.3 | | |
| 633 | R | 29.5 | Very low | 32.2 | Very low | 197 Ų | 197 | 129 Ų | 129 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | 73.2 | 144.5 | 157.9 | -70.3 | -174.6 | -176.4 | -92.2 | -10.2 | 117.6 | | |
| 634 | E | 31.1 | Very low | 31.8 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | | | cis | -170.1 | 176.4 | -16.5 | -120.5 | 165.2 | 176.6 | 0 | 0 | 109.2 | | |
| 635 | L | 32.7 | Very low | 32.4 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | 82.3 | 133.5 | 165.8 | -45.5 | -175.8 | 0 | 0 | 0 | 118.6 | | |
| 636 | G | 33.7 | Very low | 32.7 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | 81.1 | 82.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 637 | V | 29.3 | Very low | 33.2 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | cis | 51.5 | 89.4 | 42.4 | -170 | 0 | 0 | 0 | 0 | 110.7 | | |
| 638 | G | 33.3 | Very low | 33.6 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -179 | 25.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 639 | Q | 29.3 | Very low | 34.1 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | trans | -131.1 | 115.8 | 160.1 | -157.5 | 166.1 | 31.8 | 0 | 0 | 109.6 | | |
| 640 | V | 33.7 | Very low | 33.7 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -104.9 | 141 | 176 | 158.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 641 | D | 33 | Very low | 34.2 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | | | trans | -62.5 | 146.9 | 176 | -61.5 | -76.8 | 0 | 0 | 0 | 113.3 | | |
| 642 | W | 33.7 | Very low | 34.2 | Very low | 252 Ų | 252 | 142.8 Ų | 142.8 | 96% | 0.955 | 78% | 0.776 | S | S | * | * | | | trans | -135.5 | 113.4 | 148.2 | -64.2 | 99.6 | 0 | 0 | 0 | 107.2 | | |
| 643 | G | 31.7 | Very low | 33.8 | Very low | 61 Ų | 61 | 143.7 Ų | 143.7 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | cis | -174.3 | 171.1 | -7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 644 | D | 33.1 | Very low | 33.8 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -58.1 | 147.3 | 173.1 | -61.7 | -91 | 0 | 0 | 0 | 112.3 | | |
| 645 | D | 38.2 | Very low | 33.6 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | | -142.8 | 139.7 | 127.6 | -122.9 | -33.3 | 0 | 0 | 0 | 109 | | |
| 646 | L | 39.7 | Very low | 33.4 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 58.9 | 80.5 | 179.6 | -39.8 | -179.1 | 0 | 0 | 0 | 115 | | |
| 647 | G | 36.7 | Very low | 33.4 | Very low | 63 Ų | 63 | 141.5 Ų | 141.5 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | cis | 110.7 | 149.3 | 44 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 648 | L | 36.3 | Very low | 33.5 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | 77.3 | 68.8 | 176 | -51.4 | -176.6 | 0 | 0 | 0 | 118.6 | | |
| 649 | R | 38.6 | Very low | 33.4 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | | | trans | -23.7 | 142.9 | 136 | 59.8 | -179.6 | -166.9 | -71.7 | -9.4 | 115.2 | | |
| 650 | N | 32.9 | Very low | 33.6 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | | | | 166.9 | 140.8 | 112.6 | -90.1 | -15.4 | 0 | 0 | 0 | 113.3 | | |
| 651 | L | 37.3 | Very low | 33.4 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 58.2 | 146.2 | 166 | -83.9 | 69.6 | 0 | 0 | 0 | 118 | | |
| 652 | E | 32.7 | Very low | 33.4 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | cis | 174.6 | 117.9 | -30 | 168.8 | 160.4 | -158.2 | 0 | 0 | 105 | | |
| 653 | V | 33 | Very low | 33.5 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | -10.1 | 130.8 | 160.7 | 177.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 654 | S | 29.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | | -159.4 | 116.6 | 126.1 | -79.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 655 | C | 27 | Very low | 33.4 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -79.5 | 153.6 | 156.8 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 656 | D | 28.6 | Very low | 33.1 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | | 174.7 | 145.2 | 110 | -96.9 | -7.9 | 0 | 0 | 0 | 113 | | |
| 657 | L | 33 | Very low | 33.1 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | 49.2 | 151.8 | 153.7 | -79.9 | 70.7 | 0 | 0 | 0 | 119.1 | | |
| 658 | E | 31.6 | Very low | 33 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | cis | -144.3 | 158.9 | 21.7 | -157.6 | 174.5 | 159.6 | 0 | 0 | 111.5 | | |
| 659 | S | 32.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -102.5 | 133.4 | 179.7 | -180 | 0 | 0 | 0 | 0 | 111.3 | | |
| 660 | G | 32.4 | Very low | 32.6 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -164.1 | 128.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 661 | G | 29.8 | Very low | 32.5 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | 103.8 | 108.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 662 | S | 33 | Very low | 32.5 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | | | trans | -100.6 | 169.9 | 169.1 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 663 | R | 35.3 | Very low | 32.4 | Very low | 247 Ų | 247 | 133.7 Ų | 133.7 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | | | trans | 100.8 | 145.9 | 179.9 | -56.5 | 155.4 | -165.1 | -94.3 | 1.7 | 113.3 | | |
| 664 | G | 31 | Very low | 32.4 | Very low | 66 Ų | 66 | 136.6 Ų | 136.6 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | | | cis | 138.1 | 140.6 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 665 | C | 32.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 100% | 1 | 82% | 0.823 | S | S | * | * | | | trans | 71.3 | 150.6 | 176.5 | -53.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 666 | G | 32 | Very low | 32.8 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | 145.5 | 65.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 667 | V | 39.6 | Very low | 33 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 96% | 0.964 | 82% | 0.821 | S | S | * | * | | | trans | -98.4 | 130.2 | 159.4 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 668 | G | 35 | Very low | 33 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | trans | -179.4 | 95.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 669 | Q | 28.1 | Very low | 33.1 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | 61.2 | 157.4 | 145.3 | -73.1 | -75.5 | 63.3 | 0 | 0 | 121.5 | | |
| 670 | M | 37.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | trans | -120.5 | 149.4 | 176.9 | -167.2 | 91.8 | 72.2 | 0 | 0 | 108.5 | | |
| 671 | D | 31.6 | Very low | 33.1 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -168.7 | 169 | 147.6 | -108.5 | -32 | 0 | 0 | 0 | 113.6 | | |
| 672 | W | 35.7 | Very low | 33.1 | Very low | 236 Ų | 236 | 144.8 Ų | 144.8 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -113.8 | 139.2 | -163.2 | -64.6 | 76.5 | 0 | 0 | 0 | 116 | | |
| 673 | A | 32.3 | Very low | 33 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -172.3 | 124.5 | 150 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 674 | Q | 31.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | | 81.6 | 106.5 | 61.5 | -75.1 | -175.7 | 46.9 | 0 | 0 | 115.6 | | |
| 675 | D | 31.8 | Very low | 32.4 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -167 | 169.2 | 146 | -137.9 | 23.5 | 0 | 0 | 0 | 109 | | |
| 676 | L | 34.9 | Very low | 32.2 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | | -157.8 | 147 | -89.6 | -109.3 | 165.9 | 0 | 0 | 0 | 107.6 | | |
| 677 | G | 31.6 | Very low | 32.8 | Very low | 64 Ų | 64 | 140.7 Ų | 140.7 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | trans | 168.5 | 82.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 678 | L | 33 | Very low | 32.2 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | | 56.1 | 118.5 | 86 | -68.6 | 170.7 | 0 | 0 | 0 | 112.2 | | |
| 679 | R | 33 | Very low | 31.8 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | cis | -157.8 | 144.4 | 33.8 | -72.7 | -164.1 | 156.6 | -131 | -14.7 | 115.6 | | |
| 680 | N | 32.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | 62 | 142.3 | 133.7 | -59.4 | 1.3 | 0 | 0 | 0 | 120 | | |
| 681 | L | 32.3 | Very low | 32.1 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | cis | -171.7 | 165.3 | -8.1 | -131.1 | 67.4 | 0 | 0 | 0 | 105.3 | | |
| 682 | R | 31 | Very low | 32.2 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | | | cis | -164.7 | 172.4 | -3.4 | -154.4 | 178.6 | -175.3 | 179.8 | 1.2 | 108.5 | | |
| 683 | L | 30 | Very low | 31.9 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | 75 | 132.1 | 158 | -58.4 | 158.8 | 0 | 0 | 0 | 116.8 | | |
| 684 | C | 26.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | cis | -166.8 | 151.7 | -21.9 | -134.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 685 | G | 26.9 | Very low | 31.8 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | 93.3 | 85.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 686 | A | 30.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | -96.1 | 173.3 | 130.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 687 | P | 43.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | cis | -145.3 | -161.4 | 14.6 | 41.1 | -18.7 | 0 | 0 | 0 | 115.4 | | |
| 688 | S | 27 | Very low | 31.5 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | 107.7 | 141.1 | 136 | -124.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 689 | E | 27.8 | Very low | 31.3 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | trans | 57.3 | 115.2 | 143.2 | -82.2 | 160.2 | 115.9 | 0 | 0 | 123.5 | | |
| 690 | V | 37.1 | Very low | 31.5 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -43.8 | 134.5 | 136.5 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 691 | R | 33.7 | Very low | 31.3 | Very low | 201 Ų | 201 | 126.9 Ų | 126.9 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | | | | 165.4 | 132.6 | 122.4 | -88.4 | 179.9 | 75.9 | -159.9 | 1.8 | 115.3 | | |
| 692 | E | 33.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | | | trans | 52.2 | 139 | 142.1 | -76.1 | 174.9 | 94.9 | 0 | 0 | 125.2 | | |
| 693 | C | 29.6 | Very low | 31.2 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | 74.2 | 142.6 | 151.4 | -67.6 | 0 | 0 | 0 | 0 | 120 | | |
| 694 | G | 30.2 | Very low | 31.2 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | trans | -177.6 | -33.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 695 | V | 32.4 | Very low | 31.3 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 90% | 0.903 | 74% | 0.743 | S | S | * | * | | | trans | 46.5 | 124.6 | 170.1 | -174.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 696 | G | 30.7 | Very low | 32.2 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | trans | -154.7 | 126.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 697 | R | 29.9 | Very low | 32.1 | Very low | 200 Ų | 200 | 132.2 Ų | 132.2 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | trans | -145 | 135.3 | -165.5 | -168.2 | -169.2 | -158.9 | -84.7 | 1 | 115.3 | | |
| 698 | V | 30 | Very low | 31.4 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | | | trans | -148 | 131.1 | 157.5 | 176 | 0 | 0 | 0 | 0 | 106.1 | | |
| 699 | G | 29.6 | Very low | 31.4 | Very low | 39 Ų | 39 | 133.1 Ų | 133.1 | 40% | 0.402 | 75% | 0.753 | S | S | . | * | | | cis | 110.7 | 125.5 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 700 | P | 38.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | | | cis | -76.5 | -145 | -1.2 | 38.9 | -40.6 | 0 | 0 | 0 | 111.3 | | |
| 701 | D | 27.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | | | cis | -126.9 | 166.5 | -1.3 | -88.5 | -47.7 | 0 | 0 | 0 | 108.7 | | |
| 702 | L | 33.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | cis | 93.8 | 125.7 | 30.3 | -61.2 | -170.7 | 0 | 0 | 0 | 116.1 | | |
| 703 | E | 27.7 | Very low | 30.5 | Very low | 150 Ų | 150 | 124 Ų | 124 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | cis | -168.7 | 174.6 | -29.9 | -133.2 | 179.9 | -160.4 | 0 | 0 | 112.8 | | |
| 704 | L | 29.3 | Very low | 31.1 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 66.3 | 104.6 | 150.1 | -68.3 | 163 | 0 | 0 | 0 | 122.1 | | |
| 705 | D | 29.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | | -82.9 | 166 | 125.4 | -165.5 | 40.2 | 0 | 0 | 0 | 107.8 | | |
| 706 | P | 45.4 | Very low | 30.6 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | cis | -131.4 | -178 | -3.5 | 43 | -27.7 | 0 | 0 | 0 | 115.3 | | |
| 707 | K | 28.6 | Very low | 30.5 | Very low | 214 Ų | 214 | 127 Ų | 127 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | | | trans | -155.9 | 164.8 | 148.1 | -123.6 | 165.5 | -172.8 | 172 | 0 | 114.6 | | |
| 708 | S | 27.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -134.3 | 158.6 | -164.3 | -176.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 709 | S | 28.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | | | trans | 64.5 | 154.1 | 165.1 | 71.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 710 | G | 25.4 | Very low | 30.5 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | | | trans | 112.7 | 54.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 711 | S | 25.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | | 39.3 | 115.8 | 90.8 | 70.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 712 | L | 28.9 | Very low | 30.9 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | | | | 175.2 | 111 | 123.2 | -93.5 | 169.7 | 0 | 0 | 0 | 112.4 | | |
| 713 | S | 33 | Very low | 30.7 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -83.8 | 154.8 | 135.1 | -42.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 714 | P | 40.8 | Very low | 30.8 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | | -122.5 | 179.8 | 60.8 | 5.5 | 19.6 | 0 | 0 | 0 | 112.2 | | |
| 715 | G | 24.1 | Very low | 31.2 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | cis | 113.5 | 171.9 | 18.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 716 | L | 29.7 | Very low | 31.4 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | 72 | 139.8 | -163.8 | -49.3 | 175 | 0 | 0 | 0 | 112.7 | | |
| 717 | E | 27.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | cis | -165.8 | 177.5 | -23.2 | -134.1 | 160.5 | -149.2 | 0 | 0 | 109.2 | | |
| 718 | T | 28.8 | Very low | 30.8 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | 62.9 | 126.5 | 157.5 | 44.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 719 | E | 29.3 | Very low | 30.9 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | 60.8 | 124 | 137.9 | -52.3 | -51.8 | 87.6 | 0 | 0 | 122.2 | | |
| 720 | D | 31.8 | Very low | 31 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | trans | -56.5 | 148.9 | 142.5 | -84.4 | -53.3 | 0 | 0 | 0 | 109.8 | | |
| 721 | P | 44.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | | -140 | 136 | 108 | 35.2 | -23.1 | 0 | 0 | 0 | 116.1 | | |
| 722 | L | 29.6 | Very low | 31.7 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | -7.7 | 152.8 | 135.7 | -63.6 | 171.7 | 0 | 0 | 0 | 120 | | |
| 723 | E | 29.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | | | trans | 61.9 | 94.4 | 147.4 | -73.9 | -156.3 | 98.8 | 0 | 0 | 121 | R725 | E723-R725 IonicContact OE1-CZ 2.85Å; E723-R725 IonicContact OE1-NE 2.72Å; E723-R725 IonicContact OE1-NH2 2.61Å; E723-R725 PolarHBondContact OE1-NH2 3.33Å |
| 724 | A | 28.7 | Very low | 31.5 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | | 62.1 | 160.7 | 99.7 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 725 | R | 39.5 | Very low | 31.9 | Very low | 205 Ų | 205 | 132.7 Ų | 132.7 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | | | trans | 72.9 | 103.9 | 164.4 | -45.4 | 169.1 | -154.5 | -98.5 | -4.3 | 116.5 | E723 | E723-R725 IonicContact OE1-CZ 2.85Å; E723-R725 IonicContact OE1-NE 2.72Å; E723-R725 IonicContact OE1-NH2 2.61Å; E723-R725 PolarHBondContact OE1-NH2 3.33Å |
| 726 | E | 33.8 | Very low | 31.9 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -148.6 | 161.3 | 136.1 | -136.8 | 176.7 | 175.4 | 0 | 0 | 111.9 | | |
| 727 | L | 35.1 | Very low | 32 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | trans | -117.7 | 139.7 | -177.3 | -64.9 | 165.7 | 0 | 0 | 0 | 108.9 | | |
| 728 | G | 26.2 | Very low | 32.1 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -164.9 | 82.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 729 | V | 29.5 | Very low | 32.1 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | | | trans | 38.1 | 131.4 | 134.9 | -175.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 730 | G | 29.6 | Very low | 32.1 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | 143.3 | 92.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 731 | E | 31.3 | Very low | 31.9 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | | 65.4 | 125.1 | 86.9 | -68 | -166.1 | 157.2 | 0 | 0 | 113.2 | | |
| 732 | I | 34.3 | Very low | 31 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | cis | -152.1 | 161.7 | 27.7 | 47 | 173.4 | 0 | 0 | 0 | 114.7 | | |
| 733 | S | 30 | Very low | 31 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 68.3 | 123.5 | 149.7 | -62.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 734 | G | 27.8 | Very low | 31.6 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -89.8 | -137.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 735 | P | 48.7 | Very low | 31.7 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -131.6 | -160.7 | 19.3 | 46.9 | -29.6 | 0 | 0 | 0 | 112.4 | | |
| 736 | E | 25.4 | Very low | 31.3 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | -154.8 | 138.2 | -0.4 | -141.7 | 148.3 | 141.4 | 0 | 0 | 111.4 | | |
| 737 | T | 31.1 | Very low | 31.2 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | trans | 37.5 | 138.2 | 147.4 | 61.5 | 0 | 0 | 0 | 0 | 125.6 | | |
| 738 | Q | 29.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 125.9 Ų | 125.9 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | 110.9 | 140 | 130 | -156.9 | 166.7 | 9.1 | 0 | 0 | 119.7 | | |
| 739 | G | 29 | Very low | 30.8 | Very low | 59 Ų | 59 | 128.5 Ų | 128.5 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | trans | 92.8 | 102.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 740 | E | 28.7 | Very low | 31.4 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | | 79.6 | 106.9 | 58.5 | -64.2 | 177.6 | 120.4 | 0 | 0 | 114.5 | | |
| 741 | D | 27 | Very low | 31.2 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 52.1 | 109.8 | 144.7 | -61.1 | -4.3 | 0 | 0 | 0 | 123.4 | | |
| 742 | S | 25.8 | Very low | 31.1 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | | 84.7 | 134.6 | 128.7 | 78.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 743 | S | 30.8 | Very low | 30.9 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | 65.5 | 90.8 | 146.1 | -56.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 744 | S | 41.2 | Very low | 31.2 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | | | trans | 68.6 | 146.6 | 158.1 | -56.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 745 | P | 31.3 | Very low | 31.2 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | | -140.2 | 160.1 | 119.1 | 38.6 | -28.7 | 0 | 0 | 0 | 114.8 | F747 | P745-F747 HydrophobicContact CB-CD2 4.49Å; P745-F747 HydrophobicContact CB-CE2 3.86Å; P745-F747 HydrophobicContact CB-CZ 4Å; P745-F747 HydrophobicContact CG-CD2 4.37Å; P745-F747 HydrophobicContact CG-CE2 3.6Å; P745-F747 HydrophobicContact CG-CZ 4.09Å |
| 746 | S | 31.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -102.2 | 153.5 | 158 | 176.8 | 0 | 0 | 0 | 0 | 109 | | |
| 747 | F | 30.4 | Very low | 30.7 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -139 | 145.5 | 165.5 | -64.3 | -71 | 0 | 0 | 0 | 108.3 | P745 | P745-F747 HydrophobicContact CB-CD2 4.49Å; P745-F747 HydrophobicContact CB-CE2 3.86Å; P745-F747 HydrophobicContact CB-CZ 4Å; P745-F747 HydrophobicContact CG-CD2 4.37Å; P745-F747 HydrophobicContact CG-CE2 3.6Å; P745-F747 HydrophobicContact CG-CZ 4.09Å |
| 748 | E | 25.6 | Very low | 30.9 | Very low | 177 Ų | 177 | 129.2 Ų | 129.2 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | cis | -147.1 | 176.4 | 9.1 | -138.9 | 166.4 | 131.6 | 0 | 0 | 113 | | |
| 749 | T | 28 | Very low | 30.9 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -98.7 | -171.3 | -170.1 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 750 | P | 42.7 | Very low | 30.8 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | cis | -127.8 | -171.3 | 8.5 | 46 | -27.6 | 0 | 0 | 0 | 114.2 | | |
| 751 | S | 25.7 | Very low | 30.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | | | cis | -155.5 | 163.9 | 16.9 | -159.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 752 | E | 29.3 | Very low | 31.6 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | 51.1 | 147.8 | 160.7 | -71.2 | 143.8 | 101.8 | 0 | 0 | 120.4 | | |
| 753 | D | 29.4 | Very low | 31.6 | Very low | 139 Ų | 139 | 124.8 Ų | 124.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | cis | 174.5 | 160.9 | -39.3 | 171.9 | 46.4 | 0 | 0 | 0 | 106.1 | | |
| 754 | T | 35.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | | | trans | 67 | 120.2 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 115.6 | M756 | T754-M756 HydrophobicContact CG2-CE 3.92Š|
| 755 | G | 27.8 | Very low | 31 | Very low | 58 Ų | 58 | 125.7 Ų | 125.7 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | cis | 158.7 | 166 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 756 | M | 33.7 | Very low | 30.8 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | trans | 56.3 | 141.9 | 159.7 | 79 | -153.8 | 82.4 | 0 | 0 | 120.2 | T754 | T754-M756 HydrophobicContact CG2-CE 3.92Š|
| 757 | D | 31.2 | Very low | 30.6 | Very low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | cis | -169 | 161.3 | -17.5 | -166.5 | -3 | 0 | 0 | 0 | 109.2 | | |
| 758 | T | 34.6 | Very low | 31.7 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 52.8 | 139.6 | 160.1 | 31.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 759 | G | 28.8 | Very low | 31.8 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 171.2 | 106.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 760 | E | 28.4 | Very low | 31.6 | Very low | 202 Ų | 202 | 117.1 Ų | 117.1 | 94% | 0.944 | 75% | 0.751 | S | S | * | * | | | trans | -69.7 | 168.7 | -173.7 | -60.2 | 165.6 | 101.4 | 0 | 0 | 116.3 | | |
| 761 | A | 26.4 | Very low | 30.8 | Very low | 89 Ų | 89 | 117 Ų | 117 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | -103.3 | -171.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 762 | P | 46.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | cis | -138.5 | 177 | -7.5 | 42.5 | -25.7 | 0 | 0 | 0 | 115.6 | | |
| 763 | S | 25.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | 73.1 | 162.4 | 142.5 | 79.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 764 | L | 27.7 | Very low | 30.6 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | | | trans | 73 | 153 | 160.3 | -61.2 | 172.5 | 0 | 0 | 0 | 120.1 | | |
| 765 | G | 30.5 | Very low | 30.3 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | 113 | 76.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 766 | A | 27.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | | 64.7 | 103.3 | 71.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 767 | S | 28.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 122.5 Ų | 122.5 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -84.4 | -177.4 | 163.9 | -35.7 | 0 | 0 | 0 | 0 | 110.7 | H270 | H270-S767 WeakPolarHBondContact NE2-CB 3.11Š|
| 768 | P | 53.4 | Low | 32.3 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 51% | 0.506 | 78% | 0.778 | S | S | . | * | | | cis | -131.3 | -173.7 | -25.3 | 41.4 | -28.1 | 0 | 0 | 0 | 113.2 | | |
| 769 | S | 26.7 | Very low | 32 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 73.5 | 141.6 | 160.8 | 83.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 770 | S | 24.7 | Very low | 32.3 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | -160.8 | 166.8 | 59.2 | 45.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 771 | C | 25.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -57.4 | 171.6 | -167.6 | -49.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 772 | L | 26.4 | Very low | 32.9 | Very low | 153 Ų | 153 | 119 Ų | 119 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | | | trans | 85.1 | 97.3 | 156.4 | -61.5 | 177.7 | 0 | 0 | 0 | 120.2 | | |
| 773 | T | 29 | Very low | 32.2 | Very low | 125 Ų | 125 | 121 Ų | 121 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | | 35.5 | 124.9 | 124.4 | 59.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 774 | R | 25.4 | Very low | 32.4 | Very low | 234 Ų | 234 | 122.8 Ų | 122.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | | 158.8 | 117.9 | 115.6 | 177.1 | 177.9 | -170.9 | -124.7 | 6.1 | 113.3 | | |
| 775 | S | 27.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 177 | 123.4 | 137 | -81 | 0 | 0 | 0 | 0 | 112.5 | | |
| 776 | P | 57 | Low | 32.6 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -98.1 | 158.6 | 164.3 | 38.2 | -32.3 | 0 | 0 | 0 | 111.6 | | |
| 777 | P | 47.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 125 Ų | 125 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | | | | -134 | 161.1 | 94.4 | 37.8 | -26.9 | 0 | 0 | 0 | 112.3 | | |
| 778 | S | 30.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | cis | 88.3 | 134.5 | 23.6 | -163.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 779 | G | 29.5 | Very low | 31.7 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | 106.3 | 132.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 780 | S | 35.7 | Very low | 31.7 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | cis | -173.2 | 152 | -4.9 | 26.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 781 | Q | 33.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | cis | -166.7 | 152.3 | -4.1 | -113.4 | 166.7 | 36.9 | 0 | 0 | 111.1 | | |
| 782 | S | 33.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | 59.7 | 169.7 | 154.6 | 71.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 783 | L | 30.7 | Very low | 31.8 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | cis | -161.8 | 146.7 | 18 | -160 | 118.2 | 0 | 0 | 0 | 108.1 | | |
| 784 | L | 31 | Very low | 31.8 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | cis | -147.3 | -111.9 | -2.3 | -142.1 | -169.7 | 0 | 0 | 0 | 111.7 | | |
| 785 | E | 31.9 | Very low | 31.9 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | trans | -101.8 | 174.8 | 179.8 | -75.4 | 148 | 142 | 0 | 0 | 112.3 | | |
| 786 | G | 29.9 | Very low | 32 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | | | cis | 160.3 | 174.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 787 | I | 32.9 | Very low | 31.5 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | 27.3 | 123.2 | 161.9 | -12.1 | 174.7 | 0 | 0 | 0 | 120.4 | | |
| 788 | M | 28.6 | Very low | 30.5 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | | 179.9 | 168.8 | 121.3 | -99.1 | -58.3 | -79.3 | 0 | 0 | 113.8 | | |
| 789 | T | 29 | Very low | 30.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -103.7 | 154.8 | -176.7 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 790 | A | 26 | Very low | 30.4 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | trans | 63.1 | 136.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 791 | S | 26.1 | Very low | 30.1 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | 59.6 | 153.5 | 140.1 | -61.9 | 0 | 0 | 0 | 0 | 122 | | |
| 792 | S | 24.9 | Very low | 29.8 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 68.5 | 114.3 | 178.9 | -169 | 0 | 0 | 0 | 0 | 114.8 | | |
| 793 | S | 28.5 | Very low | 29.7 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | cis | 89.3 | 146.2 | 42.3 | 91.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 794 | K | 27.8 | Very low | 29.5 | Very low | 210 Ų | 210 | 128.5 Ų | 128.5 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | | | trans | 80.3 | 112.5 | 160.8 | -164.8 | 178.1 | -177.6 | -178.9 | 0 | 117.9 | | |
| 795 | G | 28.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 170.2 | 70.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 796 | A | 30 | Very low | 29.2 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | -75 | 166.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 797 | P | 45.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | cis | -148.4 | 151.9 | 26.6 | 40.6 | -19.7 | 0 | 0 | 0 | 119.8 | | |
| 798 | Q | 27.2 | Very low | 29 | Very low | 197 Ų | 197 | 127.6 Ų | 127.6 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | | -148.7 | 144.1 | 118 | -141.2 | 170.2 | 1 | 0 | 0 | 109.9 | | |
| 799 | R | 30.4 | Very low | 29.1 | Very low | 202 Ų | 202 | 126.2 Ų | 126.2 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -141.5 | 152.1 | -169.1 | -107.4 | -171.5 | 151.8 | -161 | -21.5 | 108.4 | | |
| 800 | E | 26.8 | Very low | 29.3 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | | | cis | -155.8 | 157.9 | -7.5 | -154.5 | 156.2 | -145.8 | 0 | 0 | 109.6 | | |
| 801 | S | 29.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | -2.4 | 121.8 | 169.3 | -51.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 802 | A | 28.8 | Very low | 29.6 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -70.3 | 170.2 | 144 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 803 | A | 29.3 | Very low | 29.8 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | cis | -146.1 | 165.6 | 4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 804 | S | 27.6 | Very low | 29.7 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -128 | 179.5 | 168.2 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 805 | G | 27.8 | Very low | 29.9 | Very low | 46 Ų | 46 | 134.1 Ų | 134.1 | 47% | 0.474 | 78% | 0.777 | S | S | . | * | | | trans | 125.6 | 117.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R306 | R306-G805 PolarHBondContact NH1-O 3.3Š|
| 806 | S | 27.9 | Very low | 29.8 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -118.1 | 129 | 176.6 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 807 | R | 31.8 | Very low | 29.8 | Very low | 236 Ų | 236 | 135.4 Ų | 135.4 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | trans | 62.3 | 159.4 | 131.5 | -142.4 | -177 | -159.9 | -160.4 | 5.5 | 120.2 | | |
| 808 | V | 27.9 | Very low | 28.9 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | 81.9 | 141.1 | 162.4 | 177.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 809 | L | 30.5 | Very low | 29 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | cis | -178.7 | 166.5 | -26.9 | -151.1 | 139.8 | 0 | 0 | 0 | 107.9 | | |
| 810 | L | 33.3 | Very low | 28.9 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | 76.3 | 155.9 | 155.4 | -141.6 | 62.2 | 0 | 0 | 0 | 116.8 | | |
| 811 | E | 31.2 | Very low | 29 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | | | cis | -101.2 | -138.1 | -6.5 | -148.7 | 93.4 | -128.8 | 0 | 0 | 110.1 | | |
| 812 | E | 26.7 | Very low | 28.9 | Very low | 190 Ų | 190 | 124.4 Ų | 124.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | cis | -150.2 | 176.4 | -0.1 | -150.3 | 172.2 | 118.6 | 0 | 0 | 109.3 | | |
| 813 | E | 29 | Very low | 29 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -141.7 | 146.4 | -161.1 | -176.5 | -178.2 | 118.9 | 0 | 0 | 114.7 | | |
| 814 | G | 27.2 | Very low | 29.4 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | 143.2 | 125.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 815 | L | 31 | Very low | 29.4 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | 64.9 | 124.3 | 136.2 | -60.2 | 175.3 | 0 | 0 | 0 | 124.4 | | |
| 816 | A | 27.3 | Very low | 29.3 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | | 71.8 | 122.8 | 127.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 817 | A | 29.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | 17.9 | 136.7 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 818 | G | 26.1 | Very low | 29.6 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | | | trans | 176.4 | 132.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 819 | A | 28.5 | Very low | 29.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 95% | 0.95 | 79% | 0.786 | S | S | * | * | | | trans | -99.4 | 155.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 820 | G | 29.1 | Very low | 29.7 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | -179.1 | 112.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 821 | Q | 29.6 | Very low | 29.9 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 95% | 0.953 | 79% | 0.785 | S | S | * | * | | | | 65.9 | 118.6 | 80.6 | -66.3 | -82.8 | -37.9 | 0 | 0 | 112.2 | | |
| 822 | G | 26.4 | Very low | 30.1 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | cis | 162.2 | 168.7 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 823 | E | 31.7 | Very low | 30.7 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | 66.6 | 160.1 | 168.6 | -70.2 | -85.9 | 75.1 | 0 | 0 | 118.6 | | |
| 824 | P | 37.7 | Very low | 30.6 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | cis | -135.3 | 140.1 | -25.9 | 32.3 | -13 | 0 | 0 | 0 | 116.8 | | |
| 825 | Q | 26.3 | Very low | 30.6 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | | 50.4 | 107.2 | 128.2 | -163.3 | 169.8 | 94.8 | 0 | 0 | 124.7 | | |
| 826 | E | 26.3 | Very low | 30.4 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | 56.8 | -177.7 | 135.6 | -109.7 | -142.4 | 105.5 | 0 | 0 | 120.3 | S828 | E826-S828 PolarHBondContact OE1-N 2.85Š|
| 827 | P | 39.4 | Very low | 30.9 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | cis | -137.1 | 173.7 | 11.1 | 43.7 | -25.3 | 0 | 0 | 0 | 121.1 | | |
| 828 | S | 27.1 | Very low | 31 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | trans | 81.3 | 150 | 147.5 | -111 | 0 | 0 | 0 | 0 | 119.7 | E826 | E826-S828 PolarHBondContact OE1-N 2.85Š|
| 829 | R | 29.8 | Very low | 32.2 | Very low | 223 Ų | 223 | 133.3 Ų | 133.3 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | | | cis | -158.9 | 122.3 | 7.8 | -158.8 | 171.1 | -174.9 | -178.6 | 2.7 | 115.7 | | |
| 830 | A | 30.4 | Very low | 32.2 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | 61.3 | 165.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 831 | P | 36.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | | | cis | -119.8 | 176.9 | -0.9 | 40.1 | -26.2 | 0 | 0 | 0 | 116.9 | | |
| 832 | L | 36.3 | Very low | 32.3 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -119.6 | 168.2 | 171.7 | -50.5 | 170 | 0 | 0 | 0 | 107.6 | | |
| 833 | P | 39.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | -154.9 | -165.7 | 74.9 | 38.2 | -15.8 | 0 | 0 | 0 | 114.3 | | |
| 834 | S | 27.1 | Very low | 32.3 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | | -163.2 | 166.2 | -59.6 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 835 | S | 26.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | 74.6 | 112.2 | 147.9 | -51.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 836 | R | 27.8 | Very low | 32.1 | Very low | 241 Ų | 241 | 135.2 Ų | 135.2 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -29.2 | 169.8 | 135.9 | -87.1 | 177.9 | 171.3 | 173.1 | -3.2 | 116.5 | | |
| 837 | P | 37.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | cis | -137.3 | 178.5 | 11.3 | 39.2 | -20.1 | 0 | 0 | 0 | 117.5 | | |
| 838 | Q | 30.8 | Very low | 32.4 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -76 | -179.3 | 156.2 | -80.7 | 178.7 | -94.8 | 0 | 0 | 112.1 | | |
| 839 | P | 52 | Low | 32.8 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | cis | -116.1 | -125.2 | -3.1 | 13.6 | 14.9 | 0 | 0 | 0 | 111.9 | | |
| 840 | D | 29.3 | Very low | 32.9 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | cis | -161.9 | 148.4 | 9.8 | -111.7 | -34.3 | 0 | 0 | 0 | 112.6 | | |
| 841 | G | 31.3 | Very low | 32.8 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | 83.9 | 142.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 842 | E | 28.7 | Very low | 32.5 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | | | cis | 146.4 | 148 | -16.2 | -96.6 | -170.4 | 161 | 0 | 0 | 108.7 | | |
| 843 | A | 27 | Very low | 32.2 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | | | trans | 65.3 | 140.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 844 | S | 30.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | | | cis | -143.2 | 147.6 | 31.8 | -58 | 0 | 0 | 0 | 0 | 114.1 | | |
| 845 | Q | 30.4 | Very low | 32.3 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 93% | 0.93 | 72% | 0.716 | S | S | * | * | | | trans | -79.1 | 139.6 | 147.6 | -72 | 176.1 | -23.5 | 0 | 0 | 108.8 | | |
| 846 | V | 31.2 | Very low | 32.3 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | trans | -145.6 | 125.4 | 155.5 | 22.9 | 0 | 0 | 0 | 0 | 107 | | |
| 847 | E | 35.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | | | trans | -118.5 | 118.5 | 177.8 | 179.1 | -173.4 | 137.6 | 0 | 0 | 106.4 | | |
| 848 | E | 34.5 | Very low | 32.1 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 51% | 0.514 | 71% | 0.708 | S | S | . | * | | | trans | -127.3 | 75.4 | 173 | -86.3 | -169.3 | 139 | 0 | 0 | 110.8 | V425 A426 | V425-E848 PolarHBondContact N-OE1 3.08Å; V425-E848 PolarHBondContact N-OE2 2.99Å; A426-E848 PolarHBondContact N-OE2 3.29Å |
| 849 | V | 35.8 | Very low | 32.3 | Very low | 101 Ų | 101 | 116 Ų | 116 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | | | trans | -35.6 | 132.1 | 130.4 | 157.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 850 | D | 32.4 | Very low | 31.4 | Very low | 71 Ų | 71 | 122.1 Ų | 122.1 | 38% | 0.38 | 71% | 0.708 | S | S | . | * | | | | -133.2 | 151.2 | 105.7 | -158.8 | -2.8 | 0 | 0 | 0 | 108.7 | S422 L423 | S422-D850 CarbonylContact C-O 2.91Å; S422-D850 WeakPolarHBondContact CA-O 3.32Å; S422-D850 PolarHBondContact N-O 3.29Å; S422-D850 CarbonylContact O-C 3.53Å; S422-D850 WeakPolarHBondContact O-CB 3.46Å; L423-D850 PolarHBondContact N-O 2.74Å; L423-D850 VanDerWaalsContact N-O 3.08Å; L423-D850 WeakPolarHBondContact O-CB 3.49Å |
| 851 | G | 29.3 | Very low | 31.7 | Very low | 38 Ų | 38 | 123.1 Ų | 123.1 | 39% | 0.392 | 71% | 0.708 | S | S | . | * | | | trans | 159.2 | 134.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | F421 | F421-G851 CarbonylContact O-C 3.59Å; F421-G851 WeakPolarHBondContact O-CA 3.49Å |
| 852 | T | 28.1 | Very low | 31.7 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 48% | 0.479 | 70% | 0.703 | S | S | . | * | | | | -99.6 | 108.6 | -90.5 | -70.8 | 0 | 0 | 0 | 0 | 108.5 | F421 | F421-T852 WeakPolarHBondContact CB-OG1 3.48Å; F421-T852 PolarHBondContact O-N 3.19Å |
| 853 | W | 30.6 | Very low | 31.8 | Very low | 202 Ų | 202 | 123.3 Ų | 123.3 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | | | trans | 41.8 | 111.3 | 146.6 | -66.1 | 62.7 | 0 | 0 | 0 | 116.4 | | |
| 854 | S | 33.1 | Very low | 32 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | | | | 176.6 | 158.9 | 63.4 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 855 | L | 35.2 | Very low | 32 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 70% | 0.699 | S | S | * | * | | | trans | 58.8 | 132.9 | 147.3 | -66.2 | 158 | 0 | 0 | 0 | 118.4 | | |
| 856 | T | 28 | Very low | 31.9 | Very low | 127 Ų | 127 | 123.8 Ų | 123.8 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | | | cis | -166.3 | 153 | -1.9 | -57.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 857 | G | 28.8 | Very low | 31.9 | Very low | 63 Ų | 63 | 122.5 Ų | 122.5 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | | | cis | 140.2 | 142.4 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 858 | A | 31.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | | | trans | 72.5 | 156.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 859 | A | 33.9 | Very low | 33 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 63% | 0.628 | 71% | 0.708 | S | S | * | * | | | cis | -151.5 | 139.7 | 12.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 860 | R | 34.5 | Very low | 33.1 | Very low | 229 Ų | 229 | 120 Ų | 120 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | | | | 52.9 | 154.1 | 126.3 | -52.2 | 175.8 | -173.7 | -77.2 | -1.4 | 119.9 | | |
| 861 | Q | 34.6 | Very low | 32.9 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | | | cis | -141.1 | 174.7 | 10.2 | -38.1 | 168.3 | 18.8 | 0 | 0 | 108.5 | | |
| 862 | N | 30.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 60% | 0.599 | 76% | 0.758 | S | S | * | * | | | cis | -149.9 | -179.5 | -8.3 | -149.6 | 69.5 | 0 | 0 | 0 | 110.8 | | |
| 863 | E | 32.2 | Very low | 33.1 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -86.7 | 157.7 | 173.1 | -34.4 | 127.7 | 113.5 | 0 | 0 | 112.8 | | |
| 864 | Q | 31.8 | Very low | 33.4 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | | | | -172.1 | 155.7 | 102.9 | -99.4 | 168.2 | 26.9 | 0 | 0 | 112.7 | | |
| 865 | A | 28.8 | Very low | 33.2 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -133.4 | 163.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 866 | S | 29.4 | Very low | 32.7 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -151 | 133.6 | 158.3 | -84.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 867 | A | 31.2 | Very low | 32.8 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -80.4 | 176.4 | -154.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 868 | P | 47.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -116.3 | -141.8 | -169.5 | 45.4 | -30.4 | 0 | 0 | 0 | 110.2 | | |
| 869 | P | 45.3 | Very low | 33.2 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | | | cis | -113.2 | -103.8 | -20.8 | 25.7 | -1.3 | 0 | 0 | 0 | 113.4 | | |
| 870 | P | 37.8 | Very low | 32.8 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | cis | -137.4 | 120.8 | 11 | 35.9 | -12 | 0 | 0 | 0 | 118.6 | | |
| 871 | R | 28.3 | Very low | 32.4 | Very low | 230 Ų | 230 | 134.1 Ų | 134.1 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | 71.1 | 127.1 | 146.6 | -56.3 | 171.8 | 176.9 | -175.3 | -2.9 | 118.4 | | |
| 872 | R | 24.5 | Very low | 32.7 | Very low | 236 Ų | 236 | 131.1 Ų | 131.1 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | | | | 66.5 | 152.6 | 58.4 | -77.2 | -168.6 | -177.6 | 171.4 | 1.7 | 114.6 | | |
| 873 | P | 37.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | | | cis | -140.8 | -139.1 | -30.7 | 42.3 | -21.2 | 0 | 0 | 0 | 109.6 | | |
| 874 | P | 36.1 | Very low | 33.4 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | | | cis | -136.7 | -175.3 | -24.7 | 42 | -25.1 | 0 | 0 | 0 | 116 | | |
| 875 | R | 29.3 | Very low | 33.8 | Very low | 247 Ų | 247 | 128.5 Ų | 128.5 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | | | trans | 73.2 | 125.3 | 152.7 | -76.9 | 174.6 | 178.1 | -166.7 | -3.4 | 120.1 | | |
| 876 | G | 25.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | | | trans | -129.9 | -159.7 | 156 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 877 | L | 28.8 | Very low | 36.2 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | trans | -159.1 | 172.7 | 162.8 | -106.7 | 167.7 | 0 | 0 | 0 | 110.8 | | |
| 878 | L | 31.8 | Very low | 37.4 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | | | trans | -100.9 | -160.9 | -158.8 | -62.1 | 167.3 | 0 | 0 | 0 | 112.2 | | |
| 879 | P | 38.4 | Very low | 37.9 | Very low | 47 Ų | 47 | 131.6 Ų | 131.6 | 31% | 0.305 | 71% | 0.71 | S | S | . | * | | | cis | -144.1 | 170.8 | -5 | 46.5 | -29.6 | 0 | 0 | 0 | 118.4 | A432 F433 S434 | A432-P879 WeakPolarHBondContact O-CG 3.36Å; F433-P879 VanDerWaalsContact C-CD 3.41Å; F433-P879 VanDerWaalsContact C-CG 3.49Å; S434-P879 VanDerWaalsContact N-CD 3.29Å; S434-P879 WeakPolarHBondContact OG-CD 2.96Å; S434-P879 WeakPolarHBondContact OG-CG 3.34Å |
| 880 | S | 26.2 | Very low | 38.4 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | 47.9 | 141.9 | 132.7 | -168 | 0 | 0 | 0 | 0 | 121.3 | | |
| 881 | C | 25.8 | Very low | 39.3 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | | | cis | -173.2 | -166.4 | 2.9 | -114.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 882 | P | 40.9 | Very low | 40.4 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | | | cis | -132.4 | -166.2 | -35.7 | 38.7 | -20.8 | 0 | 0 | 0 | 113.1 | | |
| 883 | S | 31.8 | Very low | 42.1 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | | | trans | 70.4 | 157.6 | 165.9 | -106.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 884 | E | 44.4 | Very low | 43 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | cis | -132 | 147.2 | 5.8 | -124.9 | 94.9 | -128.6 | 0 | 0 | 111 | | |
| 885 | D | 41.3 | Very low | 44 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | | | trans | -92.3 | 141.2 | 172.6 | -71.5 | -60.1 | 0 | 0 | 0 | 112.5 | S887 | D885-S887 VanDerWaalsContact C-N 3.29Å; D885-S887 PolarHBondContact O-N 3.35Å |
| 886 | F | 50.3 | Low | 45 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | | | trans | -88.8 | 41.8 | -178 | -83.8 | -98.7 | 0 | 0 | 0 | 114.1 | F888 | F886-F888 HydrophobicContact CD1-CD1 4.27Å; F886-F888 AromaticContact CD1-CE1 3.39Å; F886-F888 HydrophobicContact CD1-CE1 3.39Å; F886-F888 AromaticContact CD1-CZ 3.83Å; F886-F888 HydrophobicContact CD1-CZ 3.83Å; F886-F888 AromaticContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CZ 4.04Å; F886-F888 HydrophobicContact CG-CE1 4.31Å; F886-F888 PolarHBondContact O-N 3.5Å |
| 887 | S | 56.7 | Low | 46.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 40.1 | -179.9 | -53 | 0 | 0 | 0 | 0 | 114.5 | D885 | D885-S887 VanDerWaalsContact C-N 3.29Å; D885-S887 PolarHBondContact O-N 3.35Å |
| 888 | F | 57.2 | Low | 47.4 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 2.6 | 176.1 | 73.7 | -98.6 | 0 | 0 | 0 | 114.4 | F886 | F886-F888 HydrophobicContact CD1-CD1 4.27Å; F886-F888 AromaticContact CD1-CE1 3.39Å; F886-F888 HydrophobicContact CD1-CE1 3.39Å; F886-F888 AromaticContact CD1-CZ 3.83Å; F886-F888 HydrophobicContact CD1-CZ 3.83Å; F886-F888 AromaticContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CZ 4.04Å; F886-F888 HydrophobicContact CG-CE1 4.31Å; F886-F888 PolarHBondContact O-N 3.5Å |
| 889 | I | 58.6 | Low | 48.5 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 53% | 0.528 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -109.9 | -7.4 | -176.2 | -59.7 | 178.6 | 0 | 0 | 0 | 112 | | |
| 890 | E | 55.9 | Low | 49.1 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -10.2 | -176.8 | -153.5 | 154.2 | -145.7 | 0 | 0 | 113.8 | T892 | E890-T892 PolarHBondContact O-N 3.04Š|
| 891 | D | 55.8 | Low | 50.5 | Low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 33.5 | 175.4 | -76.5 | -30.6 | 0 | 0 | 0 | 113.5 | | |
| 892 | T | 53 | Low | 51.3 | Low | 111 Ų | 111 | 143.6 Ų | 143.6 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | trans | -104 | 94.1 | 167.7 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | E890 | E890-T892 PolarHBondContact O-N 3.04Š|
| 893 | E | 58.7 | Low | 52 | Low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -50.3 | 135 | -178.2 | -59.4 | 176.4 | 153.7 | 0 | 0 | 113.1 | L895 | E893-L895 PolarHBondContact O-N 3.28Å; E893-L895 VanDerWaalsContact O-N 3.15Å |
| 894 | I | 56.5 | Low | 52.7 | Low | 171 Ų | 171 | 147.4 Ų | 147.4 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 113.1 | 177.8 | -61.1 | 172.5 | 0 | 0 | 0 | 108.7 | D896 | I894-D896 PolarHBondContact O-N 2.92Š|
| 895 | L | 58.3 | Low | 53 | Low | 154 Ų | 154 | 147 Ų | 147 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -72.4 | 99.5 | -166 | -166.7 | 71.6 | 0 | 0 | 0 | 113 | E893 S897 | E893-L895 PolarHBondContact O-N 3.28Å; E893-L895 VanDerWaalsContact O-N 3.15Å; L895-S897 PolarHBondContact O-N 2.74Å |
| 896 | D | 49.5 | Very low | 53.4 | Low | 126 Ų | 126 | 147.6 Ų | 147.6 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | trans | -62.4 | 117.3 | -174.4 | -137 | -7.2 | 0 | 0 | 0 | 112.3 | I894 A898 | I894-D896 PolarHBondContact O-N 2.92Å; D896-A898 PolarHBondContact O-N 2.8Å |
| 897 | S | 50.7 | Low | 53.2 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 17 | -167.1 | -65.6 | 0 | 0 | 0 | 0 | 115.2 | L895 | L895-S897 PolarHBondContact O-N 2.74Š|
| 898 | A | 53.6 | Low | 53.5 | Low | 77 Ų | 77 | 149.6 Ų | 149.6 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -22.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | D896 Y900 | D896-A898 PolarHBondContact O-N 2.8Å; A898-Y900 PolarHBondContact O-N 2.92Å |
| 899 | M | 55.7 | Low | 53.5 | Low | 151 Ų | 151 | 151.6 Ų | 151.6 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | -92.3 | 50.7 | -165.3 | -71 | -155.7 | -72.6 | 0 | 0 | 116.5 | | |
| 900 | Y | 50.3 | Low | 53.1 | Low | 224 Ų | 224 | 157.7 Ų | 157.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | | | trans | -139.7 | 42.8 | 161.7 | -102.6 | -68.3 | 0 | 0 | 0 | 115.6 | A898 | A898-Y900 PolarHBondContact O-N 2.92Š|
| 901 | R | 55.2 | Low | 52.8 | Low | 219 Ų | 219 | 151.6 Ų | 151.6 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -113.1 | 37.6 | 162.5 | -58.8 | -165 | 84.9 | -165.9 | 10.6 | 113.8 | R903 | R901-R903 PolarHBondContact O-N 3.13Š|
| 902 | S | 42.9 | Very low | 52.8 | Low | 115 Ų | 115 | 153.8 Ų | 153.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -64.4 | 83.8 | 162.7 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | A904 | S902-A904 PolarHBondContact O-N 2.78Š|
| 903 | R | 54.8 | Low | 52.6 | Low | 196 Ų | 196 | 160 Ų | 160 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | trans | -65.4 | 119.7 | 163.2 | -85.1 | -173.1 | 166.6 | -172.9 | -2.7 | 107.1 | R901 N905 | R901-R903 PolarHBondContact O-N 3.13Å; R903-N905 PolarHBondContact O-N 2.82Å |
| 904 | A | 48.3 | Very low | 52 | Low | 88 Ų | 88 | 155.4 Ų | 155.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -63.5 | 84.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | S902 L906 | S902-A904 PolarHBondContact O-N 2.78Å; A904-L906 PolarHBondContact O-N 2.76Å |
| 905 | N | 48.9 | Very low | 51.5 | Low | 147 Ų | 147 | 152.9 Ų | 152.9 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -68.4 | 81.9 | 170.7 | -78.9 | -37.7 | 0 | 0 | 0 | 108.2 | R903 G907 | R903-N905 PolarHBondContact O-N 2.82Å; N905-G907 PolarHBondContact O-N 3.37Å |
| 906 | L | 51.1 | Low | 50.5 | Low | 158 Ų | 158 | 150.2 Ų | 150.2 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -65.2 | 78.1 | 167.6 | -69.7 | 177 | 0 | 0 | 0 | 108.6 | A904 R908 | A904-L906 PolarHBondContact O-N 2.76Å; L906-R908 PolarHBondContact O-N 2.96Å |
| 907 | G | 46.6 | Very low | 50 | Low | 60 Ų | 60 | 151.8 Ų | 151.8 | 62% | 0.619 | 79% | 0.793 | S | S | * | * | | | trans | -59.6 | 105.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110 | N905 K909 | N905-G907 PolarHBondContact O-N 3.37Å; G907-K909 PolarHBondContact O-N 2.82Å |
| 908 | R | 62.6 | Low | 49.6 | Very low | 237 Ų | 237 | 156.4 Ų | 156.4 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | | | trans | -73.3 | 62.5 | 176.5 | -66.6 | -176.9 | 68.9 | -126.6 | 2.6 | 111.2 | L906 | L906-R908 PolarHBondContact O-N 2.96Š|
| 909 | K | 56.5 | Low | 49 | Very low | 190 Ų | 190 | 158.5 Ų | 158.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -112.2 | 117.3 | 159.6 | -56.3 | -73.4 | -172.8 | 174 | 0 | 105 | G907 | G907-K909 PolarHBondContact O-N 2.82Š|
| 910 | R | 51 | Low | 48 | Very low | 231 Ų | 231 | 155 Ų | 155 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | cis | -116 | 156.1 | 15.1 | -44.1 | 97.8 | -161.5 | -78 | 2.9 | 108.8 | | |
| 911 | G | 49.5 | Very low | 47.3 | Very low | 57 Ų | 57 | 148.1 Ų | 148.1 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | | | cis | 81.1 | 98.2 | 30.5 | 0 | 0 | 0 | 0 | 0 | 108 | R913 | G911-R913 PolarHBondContact O-N 2.75Š|
| 912 | H | 56 | Low | 46.3 | Very low | 204 Ų | 204 | 144 Ų | 144 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | | | trans | -65.2 | 105.2 | -177.2 | -65.3 | -92 | 0 | 0 | 0 | 109.9 | | |
| 913 | R | 47.1 | Very low | 46 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -106.6 | 138.6 | 153.1 | -79.7 | -166.7 | 170.9 | -159.8 | -2.7 | 107.3 | G911 | G911-R913 PolarHBondContact O-N 2.75Š|
| 914 | A | 46.2 | Very low | 45 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -58.4 | 158.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 915 | P | 47.5 | Very low | 44.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -54.4 | 142.4 | 169.8 | 24.4 | -35 | 0 | 0 | 0 | 111 | I917 | P915-I917 PolarHBondContact O-N 2.91Š|
| 916 | A | 37.1 | Very low | 43.8 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -68.3 | 113.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R918 | A916-R918 PolarHBondContact O-N 3.13Š|
| 917 | I | 37.8 | Very low | 42.8 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 118.7 | 171.7 | -57.9 | 172.6 | 0 | 0 | 0 | 107.5 | P915 P919 | P915-I917 PolarHBondContact O-N 2.91Å; I917-P919 WeakPolarHBondContact O-CD 3.06Å |
| 918 | R | 42.6 | Very low | 42.2 | Very low | 226 Ų | 226 | 147.6 Ų | 147.6 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 117.2 | 165.6 | -76.9 | -165.8 | -79.9 | 141.4 | -9.5 | 108.7 | A916 | A916-R918 PolarHBondContact O-N 3.13Š|
| 919 | P | 40.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 139.6 | 168.6 | -9 | 26.9 | 0 | 0 | 0 | 110 | I917 | I917-P919 WeakPolarHBondContact O-CD 3.06Š|
| 920 | G | 35.2 | Very low | 39.9 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | 82.3 | 113.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 921 | G | 36.7 | Very low | 39.5 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | 165.2 | 41.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 922 | T | 34.2 | Very low | 39.1 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -78.6 | 123.5 | -176.3 | 46 | 0 | 0 | 0 | 0 | 112 | | |
| 923 | L | 35.6 | Very low | 38.8 | Very low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | 174.5 | 125.9 | 150.1 | -92.5 | 156.9 | 0 | 0 | 0 | 103.4 | | |
| 924 | G | 34.2 | Very low | 39.2 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | | | cis | 90.6 | 114.4 | 46.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 925 | L | 32.8 | Very low | 39.6 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | cis | 40.9 | 106.6 | 46.2 | -52.9 | -176.4 | 0 | 0 | 0 | 109.7 | | |
| 926 | S | 38.1 | Very low | 39.5 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | cis | -161 | 162.5 | 12.5 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 927 | E | 31 | Very low | 39.5 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -121.2 | 82.3 | 162.3 | -168.9 | 175.6 | 149.7 | 0 | 0 | 110.4 | | |
| 928 | T | 33.6 | Very low | 39.3 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -156.1 | 52.7 | 150.9 | -19.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 929 | A | 36.7 | Very low | 39.3 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | trans | -145.7 | 108.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 930 | D | 35.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -66 | 164.7 | 170.7 | -100.3 | -62 | 0 | 0 | 0 | 111.6 | | |
| 931 | S | 41.1 | Very low | 39.4 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | 63.9 | 121.9 | -174 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 932 | D | 41.3 | Very low | 39.3 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 65% | 0.652 | 80% | 0.8 | S | S | * | * | | | cis | -145 | 86.2 | 41.1 | -151.6 | 9.6 | 0 | 0 | 0 | 113.9 | R934 | D932-R934 PolarHBondContact O-N 3.08Å; D932-R934 WeakPolarHBondContact OD1-CB 3.46Å |
| 933 | T | 50.3 | Low | 39.5 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -77.1 | 51.9 | 173.8 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 934 | R | 54.7 | Low | 39.3 | Very low | 210 Ų | 210 | 145.4 Ų | 145.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | trans | -134.8 | 10.1 | -166.5 | -75.7 | -161.7 | 149 | -142.9 | -8.5 | 118.4 | D932 | D932-R934 PolarHBondContact O-N 3.08Å; D932-R934 WeakPolarHBondContact OD1-CB 3.46Å |
| 935 | L | 56 | Low | 39 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -115.1 | 105.8 | 169.7 | -67.6 | 176.5 | 0 | 0 | 0 | 110.9 | | |
| 936 | F | 45.3 | Very low | 39 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | 67.2 | 72.7 | 170.7 | -48.8 | -71.1 | 0 | 0 | 0 | 116.2 | | |
| 937 | Q | 36.8 | Very low | 38.6 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | -62.7 | 138.1 | 140.1 | -66.3 | -179.8 | -42.1 | 0 | 0 | 108.8 | | |
| 938 | D | 34.1 | Very low | 39.2 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -129.8 | 111.2 | 156.5 | -159.2 | -4.6 | 0 | 0 | 0 | 110.1 | | |
| 939 | S | 43.2 | Very low | 39.1 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 32.4 | 89.4 | 149.9 | -43.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 940 | T | 39.4 | Very low | 38.8 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | | -174.3 | 72.5 | 122.7 | 22.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 941 | E | 38.3 | Very low | 38.7 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | 59.6 | -175.5 | 149.1 | -43.8 | -163.2 | 138.8 | 0 | 0 | 117.7 | | |
| 942 | P | 34.4 | Very low | 38.3 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | | -118.6 | 141.1 | -97.3 | 31.6 | -15.3 | 0 | 0 | 0 | 115.2 | | |
| 943 | R | 37.4 | Very low | 38.2 | Very low | 243 Ų | 243 | 151.4 Ų | 151.4 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | trans | -69.7 | 129.6 | 167.6 | -86 | -172 | 173.6 | -170.3 | -2.3 | 111.8 | | |
| 944 | A | 31.3 | Very low | 37.7 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -75.2 | 156.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 945 | S | 28.6 | Very low | 36.9 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -151 | 178 | -170.5 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 946 | R | 32.1 | Very low | 36.1 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 82.5 | 147.2 | 179.2 | -59.7 | -170.9 | 166.3 | 169.7 | -3.5 | 115.4 | | |
| 947 | V | 30.9 | Very low | 35.5 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | | | cis | -149.5 | 150.6 | -8.5 | 116.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 948 | P | 41.9 | Very low | 35.8 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -94.7 | 146.8 | 169.6 | 36.1 | -32.1 | 0 | 0 | 0 | 113.3 | | |
| 949 | S | 31.3 | Very low | 35.6 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -144.3 | 132.9 | 163.2 | 56.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 950 | S | 31.7 | Very low | 35 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | | 46.8 | 131.1 | 99.3 | -89.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 951 | D | 32 | Very low | 35.4 | Very low | 136 Ų | 136 | 152.2 Ų | 152.2 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | -158 | -166.6 | 3.2 | -134.1 | -42.6 | 0 | 0 | 0 | 112.7 | | |
| 952 | E | 34.7 | Very low | 35.4 | Very low | 173 Ų | 173 | 154 Ų | 154 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -38 | 132.4 | 172.4 | -60.5 | -179.4 | 76.6 | 0 | 0 | 116.3 | | |
| 953 | E | 39.1 | Very low | 35.4 | Very low | 179 Ų | 179 | 155 Ų | 155 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | | -166.4 | 126.2 | 114.2 | -108.2 | -158.2 | 103.8 | 0 | 0 | 114.6 | | |
| 954 | V | 38.5 | Very low | 35.3 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | 25.2 | 147.2 | 131.9 | -164.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 955 | V | 38.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 156.9 Ų | 156.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | 93.5 | 106.5 | 170 | -169.1 | 0 | 0 | 0 | 0 | 117 | E957 | V955-E957 HydrophobicContact CG1-CB 4.38Š|
| 956 | E | 39.4 | Very low | 35.8 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | -81 | 121.3 | 148.9 | -79.8 | -162.3 | 130.1 | 0 | 0 | 110.1 | | |
| 957 | E | 31.8 | Very low | 36.2 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -158.3 | 162.6 | 151.9 | -109.1 | -125 | 107.6 | 0 | 0 | 109.3 | V955 | V955-E957 HydrophobicContact CG1-CB 4.38Š|
| 958 | P | 42.6 | Very low | 36.3 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | | | | -123.3 | 125.9 | -119.4 | 32 | -14.9 | 0 | 0 | 0 | 113.9 | | |
| 959 | Q | 30.7 | Very low | 36.7 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | | | trans | -123.1 | 99 | 175.5 | -72.6 | -166.7 | -27.3 | 0 | 0 | 114.1 | | |
| 960 | S | 29.6 | Very low | 37.5 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -142.7 | 80.7 | 139.2 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | R962 | S960-R962 PolarHBondContact O-N 3.45Š|
| 961 | R | 48.2 | Very low | 38 | Very low | 248 Ų | 248 | 155.2 Ų | 155.2 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | | | trans | -64 | 93.5 | 165.5 | -79.2 | -174.7 | 170.9 | -161.5 | -0.3 | 110.2 | | |
| 962 | R | 38.8 | Very low | 38.6 | Very low | 223 Ų | 223 | 157.3 Ų | 157.3 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | | | trans | -162.8 | 81 | 158.1 | -116 | 163.5 | -172.9 | 159.4 | 3.4 | 114 | S960 R964 | S960-R962 PolarHBondContact O-N 3.45Å; R962-R964 PolarHBondContact O-N 3.22Å |
| 963 | T | 34 | Very low | 39.9 | Very low | 143 Ų | 143 | 158.5 Ų | 158.5 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | | | trans | -69.8 | 67.6 | 159.2 | -48.3 | 0 | 0 | 0 | 0 | 109.7 | M965 | T963-M965 PolarHBondContact O-N 3.45Å; T963-M965 VanDerWaalsContact O-N 3.13Å |
| 964 | R | 35.9 | Very low | 41.2 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | | | trans | -72.5 | 107.3 | -179.5 | -162.8 | -178.8 | -165.6 | -158.3 | 4.1 | 108.3 | R962 S966 | R962-R964 PolarHBondContact O-N 3.22Å; R964-S966 PolarHBondContact O-N 3.44Å; R964-S966 PolarHBondContact O-OG 3.19Å |
| 965 | M | 35.3 | Very low | 42.1 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | | | trans | -56 | 107.1 | -173.6 | -55.2 | -147.4 | 86.5 | 0 | 0 | 110.9 | T963 | T963-M965 PolarHBondContact O-N 3.45Å; T963-M965 VanDerWaalsContact O-N 3.13Å |
| 966 | S | 34.8 | Very low | 43.6 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -108.8 | 89.5 | -172.5 | -64.3 | 0 | 0 | 0 | 0 | 108.8 | R964 G968 | R964-S966 PolarHBondContact O-N 3.44Å; R964-S966 PolarHBondContact O-OG 3.19Å; S966-G968 PolarHBondContact O-N 3.18Å |
| 967 | L | 39.3 | Very low | 45 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -67.4 | 75.9 | 174.3 | -89.5 | 154.7 | 0 | 0 | 0 | 110.5 | T969 | L967-T969 PolarHBondContact O-N 3.06Å; L967-T969 VanDerWaalsContact O-N 3.07Å |
| 968 | G | 34.6 | Very low | 46.8 | Very low | 61 Ų | 61 | 150.4 Ų | 150.4 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | | | trans | -67.8 | 101.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S966 K970 | S966-G968 PolarHBondContact O-N 3.18Å; G968-K970 PolarHBondContact O-N 3.11Å |
| 969 | T | 49.4 | Very low | 47.9 | Very low | 144 Ų | 144 | 149.6 Ų | 149.6 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -64 | 84.2 | -175.7 | 40.7 | 0 | 0 | 0 | 0 | 112.7 | L967 | L967-T969 PolarHBondContact O-N 3.06Å; L967-T969 VanDerWaalsContact O-N 3.07Å |
| 970 | K | 47.4 | Very low | 50 | Low | 195 Ų | 195 | 144 Ų | 144 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -128.6 | 70.4 | -179.5 | -66.9 | -173.2 | -179.8 | 178.6 | 0 | 112.3 | G968 | G968-K970 PolarHBondContact O-N 3.11Š|
| 971 | G | 43.9 | Very low | 52.4 | Low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | 64.6 | 94.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K973 | G971-K973 VanDerWaalsContact C-N 3.33Å; G971-K973 PolarHBondContact O-N 3.44Å |
| 972 | L | 43.5 | Very low | 53.5 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 94% | 0.942 | 74% | 0.743 | S | S | * | * | | | trans | -63.2 | 91.5 | 165.9 | -73 | 169.4 | 0 | 0 | 0 | 110.2 | V974 | L972-V974 PolarHBondContact O-N 3Å; L972-V974 VanDerWaalsContact O-N 3.08Å |
| 973 | K | 62.8 | Low | 55 | Low | 198 Ų | 198 | 127.2 Ų | 127.2 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | | | trans | -71.2 | 99.7 | 166.5 | -95.9 | -175.1 | 171.1 | 179.6 | 0 | 108.8 | G971 N975 | G971-K973 VanDerWaalsContact C-N 3.33Å; G971-K973 PolarHBondContact O-N 3.44Å; K973-N975 PolarHBondContact O-N 2.92Å |
| 974 | V | 65.6 | Low | 56.9 | Low | 133 Ų | 133 | 122.4 Ų | 122.4 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | | | trans | -52.8 | 126.7 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | L972 L976 | L972-V974 PolarHBondContact O-N 3Å; L972-V974 VanDerWaalsContact O-N 3.08Å; V974-L976 PolarHBondContact O-N 2.75Å |
| 975 | N | 58.7 | Low | 58.6 | Low | 86 Ų | 86 | 115.4 Ų | 115.4 | 46% | 0.46 | 69% | 0.685 | S | S | . | * | | | trans | -67.4 | 122.4 | 174 | -70.4 | -52.3 | 0 | 0 | 0 | 108.1 | K973 F977 P982 | K973-N975 PolarHBondContact O-N 2.92Å; N975-F977 PolarHBondContact O-N 3.26Å; N975-P982 WeakPolarHBondContact OD1-CD 3.43Å |
| 976 | L | 69.2 | Low | 60.5 | Low | 155 Ų | 155 | 113 Ų | 113 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -61.5 | -13.9 | -178.1 | -158.5 | 70.7 | 0 | 0 | 0 | 113.1 | V974 | V974-L976 PolarHBondContact O-N 2.75Š|
| 977 | F | 69.1 | Low | 62.3 | Low | 116 Ų | 116 | 110.7 Ų | 110.7 | 51% | 0.509 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -129.2 | 116.9 | 170 | -57.3 | -76.3 | 0 | 0 | 0 | 109 | N975 G979 L980 L985 | N975-F977 PolarHBondContact O-N 3.26Å; F977-G979 PolarHBondContact O-N 3.31Å; F977-L980 HydrophobicContact CB-CB 4.22Å; F977-L980 PolarHBondContact O-N 3.17Å; F977-L985 HydrophobicContact CD2-CD1 3.96Å; F977-L985 HydrophobicContact CE2-CD1 4.04Å |
| 978 | P | 69.4 | Low | 63.6 | Low | 129 Ų | 129 | 109.8 Ų | 109.8 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 137.6 | 165.7 | -25.1 | 35.3 | 0 | 0 | 0 | 110.5 | L980 | P978-L980 VanDerWaalsContact C-N 3.32Å; P978-L980 PolarHBondContact O-N 2.93Å |
| 979 | G | 66.7 | Low | 65 | Low | 87 Ų | 87 | 112 Ų | 112 | 90% | 0.897 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | -5.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117 | F977 | F977-G979 PolarHBondContact O-N 3.31Š|
| 980 | L | 74.6 | Confident | 66 | Low | 78 Ų | 78 | 113 Ų | 113 | 41% | 0.408 | 63% | 0.63 | S | S | . | * | | | trans | -121.2 | 123 | 176.6 | -129.2 | 85 | 0 | 0 | 0 | 113.4 | F977 P978 L985 | F977-L980 HydrophobicContact CB-CB 4.22Å; F977-L980 PolarHBondContact O-N 3.17Å; P978-L980 VanDerWaalsContact C-N 3.32Å; P978-L980 PolarHBondContact O-N 2.93Å; L980-L985 HydrophobicContact CD2-CB 4.21Å; L980-L985 HydrophobicContact CD2-CD1 4.14Å; L980-L985 HydrophobicContact CD2-CG 3.92Å |
| 981 | S | 78.3 | Confident | 66.4 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 43% | 0.427 | 62% | 0.616 | S | S | . | * | | | trans | -76.2 | 144.3 | 172.9 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | S983 A984 L985 | S981-S983 PolarHBondContact O-N 3.28Å; S981-S983 VanDerWaalsContact O-N 3.11Å; S981-A984 PolarHBondContact O-N 3.09Å; S981-A984 WeakPolarHBondContact OG-CB 3.4Å; S981-A984 PolarHBondContact OG-N 3Å; S981-L985 PolarHBondContact O-N 3.38Å |
| 982 | P | 72.4 | Confident | 66.8 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.5 | -28.2 | 174.6 | -27.5 | 35.6 | 0 | 0 | 0 | 113.5 | N975 K986 | N975-P982 WeakPolarHBondContact OD1-CD 3.43Å; P982-K986 WeakPolarHBondContact O-CB 3.46Å; P982-K986 PolarHBondContact O-N 3.34Å |
| 983 | S | 71.1 | Confident | 67.2 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.7 | -42.7 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | S981 L985 K986 A987 | S981-S983 PolarHBondContact O-N 3.28Å; S981-S983 VanDerWaalsContact O-N 3.11Å; S983-L985 VanDerWaalsContact C-N 3.35Å; S983-K986 CarbonylContact O-C 3.4Å; S983-K986 PolarHBondContact O-N 3.17Å; S983-A987 PolarHBondContact O-N 2.95Å |
| 984 | A | 72.9 | Confident | 66.6 | Low | 42 Ų | 42 | 113.8 Ų | 113.8 | 35% | 0.347 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S981 A987 K988 | S981-A984 PolarHBondContact O-N 3.09Å; S981-A984 WeakPolarHBondContact OG-CB 3.4Å; S981-A984 PolarHBondContact OG-N 3Å; A984-A987 WeakPolarHBondContact O-CB 3.43Å; A984-A987 PolarHBondContact O-N 3.42Å; A984-A987 VanDerWaalsContact O-N 3.17Å; A984-K988 PolarHBondContact O-N 3.47Å |
| 985 | L | 71.7 | Confident | 65.6 | Low | 60 Ų | 60 | 112.6 Ų | 112.6 | 31% | 0.314 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.7 | -44.9 | 174.8 | -137.4 | 167.8 | 0 | 0 | 0 | 110.9 | F977 L980 S981 S983 A987 K988 L989 | F977-L985 HydrophobicContact CD2-CD1 3.96Å; F977-L985 HydrophobicContact CE2-CD1 4.04Å; L980-L985 HydrophobicContact CD2-CB 4.21Å; L980-L985 HydrophobicContact CD2-CD1 4.14Å; L980-L985 HydrophobicContact CD2-CG 3.92Å; S981-L985 PolarHBondContact O-N 3.38Å; S983-L985 VanDerWaalsContact C-N 3.35Å; L985-A987 VanDerWaalsContact C-N 3.27Å; L985-A987 PolarHBondContact O-N 3.25Å; L985-K988 PolarHBondContact O-N 3.18Å; L985-L989 HydrophobicContact CD2-CD1 3.78Å; L985-L989 HydrophobicContact CD2-CG 4.19Å; L985-L989 WeakPolarHBondContact O-CG 3.42Å; L985-L989 PolarHBondContact O-N 3.19Å; L985-L989 VanDerWaalsContact O-N 3.09Å |
| 986 | K | 76 | Confident | 64.8 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70 | -17.7 | 175.5 | -160.3 | 169.1 | 70.5 | -179.9 | 0 | 114 | P982 S983 R990 | P982-K986 WeakPolarHBondContact O-CB 3.46Å; P982-K986 PolarHBondContact O-N 3.34Å; S983-K986 CarbonylContact O-C 3.4Å; S983-K986 PolarHBondContact O-N 3.17Å; K986-R990 WeakPolarHBondContact O-CD 3.38Å; K986-R990 WeakPolarHBondContact O-CG 3.43Å |
| 987 | A | 70.9 | Confident | 63.5 | Low | 58 Ų | 58 | 115.1 Ų | 115.1 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -78.9 | -49.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S983 A984 L985 L989 R990 S991 | S983-A987 PolarHBondContact O-N 2.95Å; A984-A987 WeakPolarHBondContact O-CB 3.43Å; A984-A987 PolarHBondContact O-N 3.42Å; A984-A987 VanDerWaalsContact O-N 3.17Å; L985-A987 VanDerWaalsContact C-N 3.27Å; L985-A987 PolarHBondContact O-N 3.25Å; A987-L989 VanDerWaalsContact C-N 3.26Å; A987-L989 PolarHBondContact O-N 2.94Å; A987-R990 PolarHBondContact O-N 3.4Å; A987-S991 PolarHBondContact O-N 2.85Å |
| 988 | K | 66.6 | Low | 62 | Low | 153 Ų | 153 | 119 Ų | 119 | 67% | 0.665 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61 | -31.8 | 178 | -68.3 | -177.9 | 70 | 171.3 | 0 | 113.1 | A984 L985 R990 S991 | A984-K988 PolarHBondContact O-N 3.47Å; L985-K988 PolarHBondContact O-N 3.18Å; K988-R990 VanDerWaalsContact C-N 3.32Å; K988-S991 PolarHBondContact O-OG 3.46Å |
| 989 | L | 65.5 | Low | 60.3 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 56% | 0.56 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.6 | -19.6 | 173.5 | -70.2 | 172.2 | 0 | 0 | 0 | 113.8 | L985 A987 N993 | L985-L989 HydrophobicContact CD2-CD1 3.78Å; L985-L989 HydrophobicContact CD2-CG 4.19Å; L985-L989 WeakPolarHBondContact O-CG 3.42Å; L985-L989 PolarHBondContact O-N 3.19Å; L985-L989 VanDerWaalsContact O-N 3.09Å; A987-L989 VanDerWaalsContact C-N 3.26Å; A987-L989 PolarHBondContact O-N 2.94Å; L989-N993 PolarHBondContact O-ND2 3.49Å |
| 990 | R | 69.1 | Low | 58.4 | Low | 166 Ų | 166 | 121.5 Ų | 121.5 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.2 | -39.1 | 176.6 | -78.3 | 172.6 | 172.1 | 159.6 | -13.1 | 112.8 | K986 A987 K988 R992 N993 | K986-R990 WeakPolarHBondContact O-CD 3.38Å; K986-R990 WeakPolarHBondContact O-CG 3.43Å; A987-R990 PolarHBondContact O-N 3.4Å; K988-R990 VanDerWaalsContact C-N 3.32Å; R990-R992 VanDerWaalsContact C-N 3.3Å; R990-R992 PolarHBondContact O-N 2.82Å; R990-N993 PolarHBondContact O-N 3.26Å; R990-N993 VanDerWaalsContact O-N 3.14Å |
| 991 | S | 56.9 | Low | 56.5 | Low | 78 Ų | 78 | 124.7 Ų | 124.7 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -62.4 | -37 | 177.5 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | A987 K988 N993 R994 | A987-S991 PolarHBondContact O-N 2.85Å; K988-S991 PolarHBondContact O-OG 3.46Å; S991-N993 PolarHBondContact O-N 2.98Å; S991-R994 PolarHBondContact O-N 3.18Å |
| 992 | R | 51.7 | Low | 54.4 | Low | 219 Ų | 219 | 127.3 Ų | 127.3 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -13.7 | 175.4 | -175.9 | 168 | 170 | 125.2 | -1.8 | 114.6 | R990 | R990-R992 VanDerWaalsContact C-N 3.3Å; R990-R992 PolarHBondContact O-N 2.82Å |
| 993 | N | 51.7 | Low | 52.5 | Low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 17.9 | -178.5 | -68.7 | -73.8 | 0 | 0 | 0 | 113.6 | L989 R990 S991 | L989-N993 PolarHBondContact O-ND2 3.49Å; R990-N993 PolarHBondContact O-N 3.26Å; R990-N993 VanDerWaalsContact O-N 3.14Å; S991-N993 PolarHBondContact O-N 2.98Å |
| 994 | R | 51.6 | Low | 50.5 | Low | 227 Ų | 227 | 132.7 Ų | 132.7 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -140.2 | 57.2 | 176.2 | -74.4 | -169 | 169.8 | -165.5 | -4.8 | 112.2 | S991 | S991-R994 PolarHBondContact O-N 3.18Š|
| 995 | S | 43.9 | Very low | 48.5 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -148.2 | 34.5 | 178.3 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 996 | A | 41.1 | Very low | 46.5 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 88% | 0.884 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -140.1 | 12.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 997 | E | 42.1 | Very low | 44.2 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -145.1 | 153.1 | -179.9 | -169.1 | 170.9 | 166.5 | 0 | 0 | 108.6 | | |
| 998 | E | 38.1 | Very low | 42.1 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | 65.4 | 95.6 | -178.6 | -158.6 | 163.9 | -134.4 | 0 | 0 | 115.9 | | |
| 999 | G | 33.5 | Very low | 40.4 | Very low | 73 Ų | 73 | 148.8 Ų | 148.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 176.1 | 109.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1000 | E | 26.4 | Very low | 38.6 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | 69 | 105.6 | 166.4 | -158 | 163.6 | -153.9 | 0 | 0 | 118.6 | | |
| 1001 | V | 35.8 | Very low | 36.9 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | -88.4 | 144.5 | 159.2 | 170.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1002 | T | 33.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | | | trans | -80.6 | 141.5 | -166.4 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1003 | E | 32.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | trans | 63 | 130.8 | 146.3 | -70.4 | -169.2 | -152.9 | 0 | 0 | 122.3 | | |
| 1004 | S | 29.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 147.2 Ų | 147.2 | 92% | 0.923 | 81% | 0.813 | S | S | * | * | | | trans | -153.9 | 135.3 | 142.6 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1005 | K | 31.2 | Very low | 32.8 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | | | trans | -86.9 | 156.9 | -165.1 | -69.4 | 165.7 | 172.7 | 159.2 | 0 | 116.4 | | |
| 1006 | S | 29.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | | 105.7 | 159.9 | 129.1 | 81.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1007 | S | 26.9 | Very low | 32.9 | Very low | 108 Ų | 108 | 149.2 Ų | 149.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | 97.7 | 56.9 | 150.3 | -55.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1008 | Q | 26.7 | Very low | 32.3 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | | 10.2 | 119.6 | 125.1 | 179.5 | -170.9 | -2 | 0 | 0 | 119.3 | | |
| 1009 | K | 32 | Very low | 31.8 | Very low | 203 Ų | 203 | 141.5 Ų | 141.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | | -159.9 | 164.6 | 125.1 | -149.3 | 151.8 | -174.5 | 172.4 | 0 | 112.6 | | |
| 1010 | E | 28.2 | Very low | 32 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -120.3 | 177.9 | -160.5 | -60.5 | 163.1 | 89.6 | 0 | 0 | 115.1 | | |
| 1011 | S | 32.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 84 | 138.8 | 169.6 | 79.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1012 | S | 28.4 | Very low | 32.8 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | cis | -137.1 | 178 | 8 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1013 | V | 35.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | cis | -137.6 | -176.4 | 23.5 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1014 | Q | 31.9 | Very low | 33 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | | | trans | -89.8 | 178.6 | 174.2 | -51.6 | -177.5 | 1.9 | 0 | 0 | 111 | | |
| 1015 | R | 31.2 | Very low | 33.3 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 75% | 0.751 | 79% | 0.792 | S | S | * | * | | | cis | -167.1 | 133.6 | 24.6 | -162.9 | 167.1 | 170.5 | 96.9 | -5.9 | 115.2 | | |
| 1016 | S | 43.9 | Very low | 34.2 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | trans | 66.7 | 158.4 | 152.9 | -72.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1017 | K | 41.3 | Very low | 35.2 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | cis | 165.3 | 126.5 | -36.9 | -103.7 | 168.4 | -178.3 | -179.9 | 0 | 109.3 | | |
| 1018 | S | 30.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 152.1 | 144.9 | 156.9 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1019 | C | 29 | Very low | 36.5 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | | | cis | -161.7 | 168.1 | -28.8 | -108.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1020 | K | 36 | Very low | 37.2 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -6.6 | 146.1 | 166.7 | -81.4 | 67.8 | 171.2 | 179.1 | 0 | 118.7 | | |
| 1021 | V | 39.8 | Very low | 38 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | | -153.6 | 156 | 62.9 | 162.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1022 | P | 39.5 | Very low | 38.9 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -109.5 | 165.2 | -167.9 | 40.4 | -32.2 | 0 | 0 | 0 | 116.4 | | |
| 1023 | G | 33.5 | Very low | 39.4 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | -178.7 | 134.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1024 | L | 37.3 | Very low | 40.2 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 98% | 0.979 | 80% | 0.804 | S | S | * | * | | | trans | -45.9 | 153.4 | 178.7 | -90 | 49.3 | 0 | 0 | 0 | 117.7 | | |
| 1025 | G | 35.8 | Very low | 40.6 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | 160.7 | 90.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1026 | K | 50.3 | Low | 41.5 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | | | trans | -70.3 | 147.9 | -177.1 | -58.4 | 169.5 | -176.3 | 175.2 | 0 | 112.6 | | |
| 1027 | P | 50 | Low | 41.2 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | | | trans | -75.1 | 171.3 | 172.9 | 33.1 | -36.3 | 0 | 0 | 0 | 113.3 | | |
| 1028 | L | 40.2 | Very low | 41.4 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | | | trans | -43.2 | 129 | -175.8 | -97.8 | 63 | 0 | 0 | 0 | 115.1 | L1030 | L1028-L1030 PolarHBondContact O-N 2.97Š|
| 1029 | T | 40.8 | Very low | 42.2 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | | | trans | -78.7 | 114 | 170.8 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1030 | L | 46.6 | Very low | 42.6 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71 | 152 | 164.9 | -68 | 170.7 | 0 | 0 | 0 | 110.3 | L1028 | L1028-L1030 PolarHBondContact O-N 2.97Š|
| 1031 | P | 45.3 | Very low | 43.3 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.9 | 172.4 | 26 | -34.3 | 0 | 0 | 0 | 110.5 | K1033 | P1031-K1033 PolarHBondContact O-N 2.86Š|
| 1032 | P | 50.6 | Low | 43.8 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 137.3 | -176 | 26.1 | -34 | 0 | 0 | 0 | 111.2 | | |
| 1033 | K | 40.3 | Very low | 44.6 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.8 | 168.3 | -64.2 | 175.3 | -178.8 | 175.4 | 0 | 108.4 | P1031 E1035 | P1031-K1033 PolarHBondContact O-N 2.86Å; K1033-E1035 PolarHBondContact O-N 3.44Å |
| 1034 | P | 50.6 | Low | 46.2 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 133.4 | 170.6 | 26.9 | -33.5 | 0 | 0 | 0 | 109.7 | | |
| 1035 | E | 40.2 | Very low | 48.5 | Very low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 155 | -179.2 | -63.3 | -172.1 | 124.2 | 0 | 0 | 111.8 | K1033 S1037 | K1033-E1035 PolarHBondContact O-N 3.44Å; E1035-S1037 PolarHBondContact O-N 2.81Å |
| 1036 | K | 49.8 | Very low | 50.3 | Low | 209 Ų | 209 | 132.5 Ų | 132.5 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -81.2 | 76.2 | -176.8 | -64.7 | -179.7 | -179.5 | 179.4 | 0 | 111.1 | S1038 | K1036-S1038 PolarHBondContact O-N 3.15Å; K1036-S1038 VanDerWaalsContact O-N 3.15Å |
| 1037 | S | 39 | Very low | 52.2 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -76.5 | 94.9 | 170.9 | 56.6 | 0 | 0 | 0 | 0 | 111 | E1035 | E1035-S1037 PolarHBondContact O-N 2.81Š|
| 1038 | S | 44.4 | Very low | 53.9 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | | | trans | -63 | 139.3 | 164.6 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | K1036 | K1036-S1038 PolarHBondContact O-N 3.15Å; K1036-S1038 VanDerWaalsContact O-N 3.15Å |
| 1039 | G | 47.2 | Very low | 56.1 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | | | trans | 104.9 | 57.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1040 | S | 38.2 | Very low | 58.2 | Low | 112 Ų | 112 | 119.1 Ų | 119.1 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | | | trans | -144.4 | 53.2 | 155.1 | -153.9 | 0 | 0 | 0 | 0 | 111.7 | G1042 | S1040-G1042 PolarHBondContact O-N 3.42Å; S1040-G1042 VanDerWaalsContact O-N 3.14Å |
| 1041 | E | 50.7 | Low | 59.9 | Low | 205 Ų | 205 | 116.8 Ų | 116.8 | 96% | 0.958 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 93.4 | 173.1 | -174.5 | 167.7 | -158.6 | 0 | 0 | 109.2 | | |
| 1042 | G | 50.1 | Low | 61.7 | Low | 80 Ų | 80 | 117.7 Ų | 117.7 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | -20.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 118 | S1040 | S1040-G1042 PolarHBondContact O-N 3.42Å; S1040-G1042 VanDerWaalsContact O-N 3.14Å |
| 1043 | S | 56.4 | Low | 63 | Low | 87 Ų | 87 | 117.4 Ų | 117.4 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | | | trans | -121.8 | 112.2 | -177.6 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | Q1049 | S1043-Q1049 PolarHBondContact OG-NE2 3.5Š|
| 1044 | S | 67.6 | Low | 64.6 | Low | 41 Ų | 41 | 115.5 Ų | 115.5 | 29% | 0.287 | 66% | 0.658 | S | S | . | * | | | trans | -65.1 | 142 | 168.1 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | Q1049 | S1044-Q1049 WeakPolarHBondContact O-CG 3.36Å; S1044-Q1049 PolarHBondContact O-NE2 2.88Å; S1044-Q1049 WeakPolarHBondContact OG-CG 3.36Å |
| 1045 | P | 84.3 | Confident | 65.8 | Low | 72 Ų | 72 | 117.7 Ų | 117.7 | 47% | 0.468 | 66% | 0.655 | S | S | . | * | | | trans | -49 | 144.7 | -176.9 | -31 | 36 | 0 | 0 | 0 | 114.3 | W1047 L1048 Q1049 | P1045-W1047 VanDerWaalsContact C-N 3.29Å; P1045-W1047 HydrophobicContact CB-CG 4.5Å; P1045-W1047 PolarHBondContact O-N 3.14Å; P1045-L1048 WeakPolarHBondContact O-CA 3.46Å; P1045-L1048 VanDerWaalsContact O-CB 3.24Å; P1045-L1048 WeakPolarHBondContact O-CB 3.35Å; P1045-L1048 PolarHBondContact O-N 3.41Å; P1045-Q1049 PolarHBondContact O-N 3.03Å; P1045-Q1049 VanDerWaalsContact O-N 3.07Å |
| 1046 | N | 74.8 | Confident | 67.2 | Low | 130 Ų | 130 | 117.4 Ų | 117.4 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -50.6 | -45.2 | -174.9 | -176.5 | -47.7 | 0 | 0 | 0 | 112.8 | L1048 Q1049 A1050 | N1046-L1048 VanDerWaalsContact C-N 3.26Å; N1046-L1048 PolarHBondContact O-N 3.32Å; N1046-Q1049 WeakPolarHBondContact O-CA 3.26Å; N1046-Q1049 WeakPolarHBondContact O-CB 3.4Å; N1046-Q1049 PolarHBondContact O-N 3.14Å; N1046-A1050 PolarHBondContact O-N 3Å |
| 1047 | W | 88.6 | Confident | 67.5 | Low | 167 Ų | 167 | 116.5 Ų | 116.5 | 63% | 0.633 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.1 | -35 | 176 | 70.4 | -93.6 | 0 | 0 | 0 | 113.3 | P1045 A1050 L1051 | P1045-W1047 VanDerWaalsContact C-N 3.29Å; P1045-W1047 HydrophobicContact CB-CG 4.5Å; P1045-W1047 PolarHBondContact O-N 3.14Å; W1047-A1050 PolarHBondContact O-N 3.49Å; W1047-L1051 HydrophobicContact CE3-CD1 3.64Å; W1047-L1051 HydrophobicContact CZ3-CD1 3.72Å; W1047-L1051 WeakPolarHBondContact O-CG 3.37Å; W1047-L1051 PolarHBondContact O-N 2.87Å |
| 1048 | L | 85.8 | Confident | 67.8 | Low | 63 Ų | 63 | 120.6 Ų | 120.6 | 33% | 0.33 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.4 | -34.4 | 175.9 | -152.2 | 80.9 | 0 | 0 | 0 | 111.4 | P1045 N1046 K1052 | P1045-L1048 WeakPolarHBondContact O-CA 3.46Å; P1045-L1048 VanDerWaalsContact O-CB 3.24Å; P1045-L1048 WeakPolarHBondContact O-CB 3.35Å; P1045-L1048 PolarHBondContact O-N 3.41Å; N1046-L1048 VanDerWaalsContact C-N 3.26Å; N1046-L1048 PolarHBondContact O-N 3.32Å; L1048-K1052 WeakPolarHBondContact O-CB 3.47Å; L1048-K1052 VanDerWaalsContact O-CG 3.26Å; L1048-K1052 WeakPolarHBondContact O-CG 3.43Å; L1048-K1052 PolarHBondContact O-N 3.22Å |
| 1049 | Q | 87.2 | Confident | 69 | Low | 78 Ų | 78 | 120.4 Ų | 120.4 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.6 | -46.9 | 171.5 | -56.8 | -175.4 | 10.1 | 0 | 0 | 110.7 | S1043 S1044 P1045 N1046 L1051 K1052 L1053 | S1043-Q1049 PolarHBondContact OG-NE2 3.5Å; S1044-Q1049 WeakPolarHBondContact O-CG 3.36Å; S1044-Q1049 PolarHBondContact O-NE2 2.88Å; S1044-Q1049 WeakPolarHBondContact OG-CG 3.36Å; P1045-Q1049 PolarHBondContact O-N 3.03Å; P1045-Q1049 VanDerWaalsContact O-N 3.07Å; N1046-Q1049 WeakPolarHBondContact O-CA 3.26Å; N1046-Q1049 WeakPolarHBondContact O-CB 3.4Å; N1046-Q1049 PolarHBondContact O-N 3.14Å; Q1049-L1051 PolarHBondContact O-N 3.02Å; Q1049-K1052 PolarHBondContact O-N 2.86Å; Q1049-K1052 VanDerWaalsContact O-N 3.15Å; Q1049-L1053 WeakPolarHBondContact O-CB 3.4Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.24Å; Q1049-L1053 PolarHBondContact O-N 3.2Å |
| 1050 | A | 84.7 | Confident | 70.2 | Confident | 50 Ų | 50 | 122.5 Ų | 122.5 | 41% | 0.413 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -59.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1046 W1047 L1053 K1054 | N1046-A1050 PolarHBondContact O-N 3Å; W1047-A1050 PolarHBondContact O-N 3.49Å; A1050-L1053 PolarHBondContact O-N 3.41Å; A1050-K1054 WeakPolarHBondContact O-CB 3.48Å; A1050-K1054 PolarHBondContact O-N 3.07Å |
| 1051 | L | 82.3 | Confident | 71.9 | Confident | 100 Ų | 100 | 123.1 Ų | 123.1 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.8 | -39.9 | 173.6 | -72.8 | 178.1 | 0 | 0 | 0 | 112.8 | W1047 Q1049 K1054 K1055 | W1047-L1051 HydrophobicContact CE3-CD1 3.64Å; W1047-L1051 HydrophobicContact CZ3-CD1 3.72Å; W1047-L1051 WeakPolarHBondContact O-CG 3.37Å; W1047-L1051 PolarHBondContact O-N 2.87Å; Q1049-L1051 PolarHBondContact O-N 3.02Å; L1051-K1054 PolarHBondContact O-N 3Å; L1051-K1055 WeakPolarHBondContact O-CB 3.38Å; L1051-K1055 PolarHBondContact O-N 2.96Å |
| 1052 | K | 82.9 | Confident | 73.2 | Confident | 132 Ų | 132 | 118.3 Ų | 118.3 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -37 | 175.8 | -74.6 | 171.7 | 70 | 176.6 | 0 | 112 | L1048 Q1049 K1055 K1056 | L1048-K1052 WeakPolarHBondContact O-CB 3.47Å; L1048-K1052 VanDerWaalsContact O-CG 3.26Å; L1048-K1052 WeakPolarHBondContact O-CG 3.43Å; L1048-K1052 PolarHBondContact O-N 3.22Å; Q1049-K1052 PolarHBondContact O-N 2.86Å; Q1049-K1052 VanDerWaalsContact O-N 3.15Å; K1052-K1055 PolarHBondContact O-N 3.11Å; K1052-K1056 WeakPolarHBondContact O-CB 3.36Å; K1052-K1056 PolarHBondContact O-N 3.43Å |
| 1053 | L | 78.1 | Confident | 74.6 | Confident | 119 Ų | 119 | 120.7 Ų | 120.7 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.7 | -43.7 | 172.9 | -71.7 | 170.7 | 0 | 0 | 0 | 111.5 | Q1049 A1050 K1056 K1057 | Q1049-L1053 WeakPolarHBondContact O-CB 3.4Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.24Å; Q1049-L1053 PolarHBondContact O-N 3.2Å; A1050-L1053 PolarHBondContact O-N 3.41Å; L1053-K1056 CarbonylContact O-C 3.4Å; L1053-K1056 PolarHBondContact O-N 2.95Å; L1053-K1056 VanDerWaalsContact O-N 3.14Å; L1053-K1057 PolarHBondContact O-N 3.06Å |
| 1054 | K | 74.3 | Confident | 75.8 | Confident | 151 Ų | 151 | 122.9 Ų | 122.9 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.3 | -41.6 | 174.2 | -172.1 | 172 | -178.7 | 175 | 0 | 111.9 | A1050 L1051 K1056 K1057 | A1050-K1054 WeakPolarHBondContact O-CB 3.48Å; A1050-K1054 PolarHBondContact O-N 3.07Å; L1051-K1054 PolarHBondContact O-N 3Å; K1054-K1056 VanDerWaalsContact C-N 3.28Å; K1054-K1056 PolarHBondContact O-N 3.15Å; K1054-K1057 PolarHBondContact O-N 3.14Å |
| 1055 | K | 74.6 | Confident | 76.4 | Confident | 174 Ų | 174 | 128.8 Ų | 128.8 | 76% | 0.757 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.5 | -26.5 | 174.1 | -177.5 | 173.2 | 177 | -179.2 | 0 | 113 | L1051 K1052 K1057 | L1051-K1055 WeakPolarHBondContact O-CB 3.38Å; L1051-K1055 PolarHBondContact O-N 2.96Å; K1052-K1055 PolarHBondContact O-N 3.11Å; K1055-K1057 VanDerWaalsContact C-N 3.3Å |
| 1056 | K | 69.4 | Low | 75.8 | Confident | 177 Ų | 177 | 133.2 Ų | 133.2 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 17.2 | 175.8 | -146.2 | -158.1 | 73.9 | 163.8 | 0 | 113.5 | K1052 L1053 K1054 | K1052-K1056 WeakPolarHBondContact O-CB 3.36Å; K1052-K1056 PolarHBondContact O-N 3.43Å; L1053-K1056 CarbonylContact O-C 3.4Å; L1053-K1056 PolarHBondContact O-N 2.95Å; L1053-K1056 VanDerWaalsContact O-N 3.14Å; K1054-K1056 VanDerWaalsContact C-N 3.28Å; K1054-K1056 PolarHBondContact O-N 3.15Å |
| 1057 | K | 56.7 | Low | 75.9 | Confident | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.826 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | 30.9 | 176.7 | -152.2 | -173.9 | -178.6 | -173.3 | 0 | 111.4 | L1053 K1054 K1055 | L1053-K1057 PolarHBondContact O-N 3.06Å; K1054-K1057 PolarHBondContact O-N 3.14Å; K1055-K1057 VanDerWaalsContact C-N 3.3Å |
| 1058 | I | 46.4 | Very low | 74.8 | Confident | 200 Ų | 200 | 130.4 Ų | 130.4 | 100% | 1.026 | 62% | 0.624 | S | S | * | * | | | trans | -132.7 | 0 | 169.9 | -57.3 | 173 | 0 | 0 | 0 | 105 | | |