| 1 | Q | 51.9 | Low | 47.4 | Very low | 244 Ų | 244 | 130.6 Ų | 130.6 | 100% | 1.14 | 78% | 0.778 | S | S | * | * | | | | 0 | 78.7 | 0 | -62.1 | 176.5 | -1.1 | 0 | 0 | 106.2 | | |
| 2 | A | 38.2 | Very low | 47.2 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | | 77.8 | 109.2 | 63.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 3 | T | 44.6 | Very low | 47.3 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | | 54 | 125.5 | 91.7 | 31.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 4 | T | 45.9 | Very low | 47.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | | | cis | -137.9 | -120.6 | -8 | -23.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 5 | Q | 49.4 | Very low | 47 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | cis | -159.3 | 143.7 | -1 | -148.3 | 117.2 | -23.9 | 0 | 0 | 111.5 | | |
| 6 | S | 45.3 | Very low | 46.8 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | 27.2 | 154.7 | 134.3 | -59.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 7 | A | 49.6 | Very low | 47.1 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | cis | -173.3 | 170.6 | -13.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 8 | S | 49.2 | Very low | 47.2 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | 61.8 | 154.2 | 156 | 54.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 9 | S | 46.6 | Very low | 47.2 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | cis | -136.7 | 145.5 | 18.7 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 10 | K | 51.6 | Low | 47.4 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | | 68.6 | 146.7 | 65.4 | -100.6 | -168.8 | 175.1 | -178.2 | 0 | 114.3 | | |
| 11 | P | 49.3 | Very low | 47.1 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | | | | -146.7 | 155.2 | -50.4 | 35.6 | -15.9 | 0 | 0 | 0 | 117.6 | | |
| 12 | G | 44.9 | Very low | 47.4 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | 78.9 | 152.2 | 132.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 13 | K | 48.3 | Very low | 48 | Very low | 217 Ų | 217 | 134.3 Ų | 134.3 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | | | | -178.2 | 153.6 | 124.7 | -98.7 | 174.5 | -177.7 | -178.8 | 0 | 111.9 | | |
| 14 | H | 45.1 | Very low | 47.8 | Very low | 207 Ų | 207 | 136.1 Ų | 136.1 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | | | trans | -108.5 | 153.9 | -178.8 | -102.5 | -87.7 | 0 | 0 | 0 | 112.6 | | |
| 15 | G | 44.9 | Very low | 47.9 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | 165 | 149.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 16 | G | 43.7 | Very low | 47.5 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | 154.3 | 161.8 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 17 | K | 52.2 | Low | 48.1 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | 77.5 | 152.5 | 172.4 | -52.2 | -175.3 | -179.7 | 179.2 | 0 | 115.8 | | |
| 18 | H | 49.7 | Very low | 47.9 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 73% | 0.731 | 81% | 0.809 | S | S | * | * | | | cis | -150.4 | -158.6 | -6.3 | -118.3 | -168 | 0 | 0 | 0 | 113.3 | | |
| 19 | T | 47.2 | Very low | 47.9 | Very low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.663 | 81% | 0.812 | S | S | * | * | | | trans | -142.2 | -176.7 | -139.9 | 53.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 20 | K | 50.2 | Low | 47.8 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | | | trans | 95.1 | 152.2 | 167.5 | -53.4 | 169.9 | -175.1 | -179.2 | 0 | 116.2 | | |
| 21 | G | 42.2 | Very low | 47.5 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | cis | -173.7 | 173.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 22 | P | 56.8 | Low | 47.8 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | | | trans | -130.2 | -177.7 | -163.6 | 44.1 | -30.8 | 0 | 0 | 0 | 117.1 | | |
| 23 | K | 50.8 | Low | 48.2 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | trans | -175.8 | 168.6 | 146.7 | -103.6 | 158.6 | -173.6 | -175.4 | 0 | 116.3 | | |
| 24 | N | 40.6 | Very low | 48.1 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -135.1 | 161 | -174.2 | -87.6 | -1.4 | 0 | 0 | 0 | 112.7 | | |
| 25 | S | 47.7 | Very low | 48.5 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -161.7 | 165.9 | 157.7 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 26 | S | 41.4 | Very low | 48.5 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -128.5 | -158 | -170 | -47.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 27 | P | 58.7 | Low | 48.5 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | cis | -143.3 | 175.3 | -9.1 | 41.2 | -20.1 | 0 | 0 | 0 | 119.1 | | |
| 28 | T | 44.9 | Very low | 48 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | 16.5 | 140.4 | 146.8 | -43 | 0 | 0 | 0 | 0 | 126.3 | | |
| 29 | T | 48.9 | Very low | 47.6 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -164.1 | 159.5 | 157.4 | -70.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 30 | A | 45 | Very low | 47.3 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -165 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 31 | R | 45.3 | Very low | 47.1 | Very low | 207 Ų | 207 | 126.2 Ų | 126.2 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | 76.8 | 167.2 | 173.6 | -115.6 | -165.8 | 143.9 | 145.8 | -13.7 | 117.2 | E33 | R31-E33 IonicContact CZ-OE2 3.25Å; R31-E33 VanDerWaalsContact CZ-OE2 3.25Å; R31-E33 IonicContact NE-OE1 3.02Å; R31-E33 PolarHBondContact NE-OE1 2.75Å; R31-E33 IonicContact NE-OE2 3.03Å; R31-E33 PolarHBondContact NE-OE2 3.28Å; R31-E33 IonicContact NH2-OE1 3.55Å; R31-E33 IonicContact NH2-OE2 2.68Å; R31-E33 PolarHBondContact NH2-OE2 3.02Å; R31-E33 IonicContact CZ-OE1 3.7Å |
| 32 | P | 56.4 | Low | 47.3 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | cis | -136.8 | 167.6 | -6.9 | 39.2 | -19.6 | 0 | 0 | 0 | 119.5 | | |
| 33 | E | 53.1 | Low | 46.8 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 55% | 0.547 | 79% | 0.794 | S | S | . | * | | | trans | 41.9 | 161.3 | 148.8 | -71.1 | 77.2 | -79.5 | 0 | 0 | 122 | R31 | R31-E33 IonicContact CZ-OE2 3.25Å; R31-E33 VanDerWaalsContact CZ-OE2 3.25Å; R31-E33 IonicContact NE-OE1 3.02Å; R31-E33 PolarHBondContact NE-OE1 2.75Å; R31-E33 IonicContact NE-OE2 3.03Å; R31-E33 PolarHBondContact NE-OE2 3.28Å; R31-E33 IonicContact NH2-OE1 3.55Å; R31-E33 IonicContact NH2-OE2 2.68Å; R31-E33 PolarHBondContact NH2-OE2 3.02Å; R31-E33 IonicContact CZ-OE1 3.7Å |
| 34 | T | 45.9 | Very low | 46.4 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | cis | 86 | 149.5 | 14.8 | 78.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 35 | T | 52.2 | Low | 46.8 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | cis | -162.9 | 166.1 | 21.9 | -28.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 36 | G | 45.9 | Very low | 46.6 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | -172.7 | 149.6 | 170 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 37 | K | 43.1 | Very low | 46.7 | Very low | 222 Ų | 222 | 125.1 Ų | 125.1 | 97% | 0.965 | 77% | 0.772 | S | S | * | * | | | trans | -160.3 | 161.2 | -175.5 | -79.8 | -171.8 | 177.2 | -178.3 | 0 | 114.9 | | |
| 38 | G | 41.6 | Very low | 46 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | | | trans | 116 | 155.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 39 | G | 42.8 | Very low | 45.8 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | cis | 170.4 | 122.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 40 | S | 40.4 | Very low | 45.3 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 55.6 | 141 | 130.4 | -50.7 | 0 | 0 | 0 | 0 | 127.8 | | |
| 41 | S | 46 | Very low | 45.1 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 82.2 | 169.5 | 140.6 | 80.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 42 | S | 46.6 | Very low | 44.8 | Very low | 93 Ų | 93 | 119.9 Ų | 119.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | | | cis | -164.7 | 147.5 | 9.2 | -143.2 | 0 | 0 | 0 | 0 | 116 | | |
| 43 | K | 45.7 | Very low | 44 | Very low | 205 Ų | 205 | 120.7 Ų | 120.7 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | 64 | 166 | 153.4 | -72 | -178.5 | 174.2 | -174.2 | 0 | 120.5 | | |
| 44 | A | 42.6 | Very low | 43.4 | Very low | 88 Ų | 88 | 120.8 Ų | 120.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | cis | -123.1 | -154.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 45 | T | 48.5 | Very low | 43 | Very low | 130 Ų | 130 | 125 Ų | 125 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | cis | -155 | 173.4 | 1.9 | -21.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 46 | Q | 44.3 | Very low | 42.4 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | 73.1 | 130.6 | 20.5 | -94.8 | -175.1 | -30.7 | 0 | 0 | 117.7 | | |
| 47 | S | 42.8 | Very low | 42.2 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | | | cis | -164.1 | 174.7 | 2.7 | -153.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 48 | T | 43.4 | Very low | 42.1 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | cis | -157.8 | 178.1 | 3.8 | -29.7 | 0 | 0 | 0 | 0 | 110 | | |
| 49 | E | 41.9 | Very low | 42 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | 62.8 | 140 | 157.5 | -74.6 | 163.8 | -136.2 | 0 | 0 | 121.3 | | |
| 50 | G | 37.7 | Very low | 42 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | cis | 168.1 | 67.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 51 | S | 41.2 | Very low | 42.3 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | -172.2 | 163.2 | 159 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 52 | G | 37.8 | Very low | 42.2 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 103.8 | 77.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 53 | S | 39.9 | Very low | 42.2 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 20.4 | 117.2 | 148 | -173.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 54 | S | 40.3 | Very low | 41.8 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | | -174.9 | 133.8 | 119.7 | -82 | 0 | 0 | 0 | 0 | 114 | | |
| 55 | K | 38.9 | Very low | 41.9 | Very low | 211 Ų | 211 | 131.3 Ų | 131.3 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | trans | -156.8 | 155.4 | 173.9 | -120 | 176.3 | -178.7 | 174.3 | 0 | 107.2 | | |
| 56 | S | 38.5 | Very low | 41.3 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | cis | -160.9 | 152.6 | 18.4 | 52 | 0 | 0 | 0 | 0 | 113.6 | | |
| 57 | T | 43.1 | Very low | 41.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | 38.9 | 110 | 144.5 | 58.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 58 | A | 40.1 | Very low | 40.8 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | | 80.7 | 119.5 | 60.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 59 | K | 40.7 | Very low | 40.5 | Very low | 215 Ų | 215 | 132.5 Ų | 132.5 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | | | trans | -158.9 | 147.4 | 149.9 | -111.7 | 174.2 | -177.3 | 176.7 | 0 | 108.9 | | |
| 60 | T | 42.3 | Very low | 40.2 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | | | trans | -103 | 149.9 | -165.9 | -41 | 0 | 0 | 0 | 0 | 112.8 | | |
| 61 | E | 47 | Very low | 40.2 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | | | trans | -65.2 | 164 | 173.2 | -67.5 | 175.5 | 78.1 | 0 | 0 | 114.5 | T63 | E61-T63 PolarHBondContact OE1-OG1 2.64Å; E61-T63 WeakPolarHBondContact OE1-CG2 3.32Å |
| 62 | P | 43.1 | Very low | 40.2 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -121.4 | 113.9 | 134.9 | 34.1 | -23.1 | 0 | 0 | 0 | 111.1 | | |
| 63 | T | 46.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | | | trans | -113.2 | 113.9 | -179.6 | 1.2 | 0 | 0 | 0 | 0 | 111.4 | E61 | E61-T63 PolarHBondContact OE1-OG1 2.64Å; E61-T63 WeakPolarHBondContact OE1-CG2 3.32Å |
| 64 | H | 38.6 | Very low | 40.1 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | | | trans | -107.2 | 131.1 | 158.5 | -90.3 | -78.7 | 0 | 0 | 0 | 107.9 | | |
| 65 | G | 43.5 | Very low | 40 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -133.1 | 126.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 66 | D | 35.9 | Very low | 40.1 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -72.7 | 159 | 163.2 | -63.3 | -66.6 | 0 | 0 | 0 | 110.4 | | |
| 67 | V | 39.8 | Very low | 40.1 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | | -171.7 | 152.7 | 127.5 | 141.1 | 0 | 0 | 0 | 0 | 111 | | |
| 68 | T | 36.9 | Very low | 39.9 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | | | trans | -75.7 | 146.4 | -160.8 | 41.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 69 | S | 36.4 | Very low | 39.8 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | 61.8 | 114.2 | 134.6 | -56.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 70 | S | 36.5 | Very low | 39.7 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | | 171.8 | 153.7 | 99.3 | -73.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 71 | S | 37.5 | Very low | 39.4 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 48.9 | 117.3 | 151.8 | 58.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 72 | S | 41 | Very low | 38.9 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | | 76.9 | 139.3 | 126.2 | -56.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 73 | Q | 39.3 | Very low | 38.3 | Very low | 204 Ų | 204 | 128.7 Ų | 128.7 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | | | trans | -45.4 | 131 | 179.3 | -58.9 | 164.8 | -68.7 | 0 | 0 | 116 | | |
| 74 | G | 37 | Very low | 37.7 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -174.2 | 123.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 75 | S | 38.6 | Very low | 37.5 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -98.1 | 136.1 | -176.4 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 76 | S | 40.1 | Very low | 37 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | | 176.9 | 162.2 | 112.9 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 77 | Q | 38.2 | Very low | 37.1 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | 66.2 | 98.9 | 167.1 | -42.6 | -158.4 | 34.5 | 0 | 0 | 116 | | |
| 78 | Q | 39.6 | Very low | 37.3 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | | 98.4 | 138.9 | 91 | -86.3 | -179.1 | 31.4 | 0 | 0 | 110.8 | | |
| 79 | A | 37.3 | Very low | 37.2 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | cis | -148.1 | 151.3 | 6.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 80 | T | 39.3 | Very low | 37.4 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | 30 | 140.1 | 143.1 | -3.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 81 | T | 36.2 | Very low | 37.8 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | | | cis | -163.3 | 132.4 | 33.8 | -43.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 82 | Q | 35.6 | Very low | 37.9 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | 44.6 | 118.8 | 148.3 | -60.6 | 166.7 | 4.3 | 0 | 0 | 123.2 | | |
| 83 | S | 30.6 | Very low | 38 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -54.6 | 150.7 | 150.2 | -29.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 84 | A | 33.5 | Very low | 38.2 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | -160.3 | 151.4 | 142 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 85 | S | 35 | Very low | 38.5 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -98.7 | 137.3 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 86 | S | 32.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 172.2 | 156.4 | 137.8 | -84.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 87 | K | 38.7 | Very low | 38.8 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -82.9 | 132.9 | 178.2 | -63.7 | 176 | -180 | 175.1 | 0 | 112.8 | | |
| 88 | P | 43.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | | -119.9 | 174.4 | 124.8 | 36.3 | -29 | 0 | 0 | 0 | 109.7 | | |
| 89 | G | 35.6 | Very low | 38.8 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | cis | -165.2 | 161.9 | -1.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 90 | K | 40.1 | Very low | 39.1 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -90 | 155.2 | -173.3 | -57.7 | 163.9 | 179 | 168.7 | 0 | 112.1 | | |
| 91 | H | 43.9 | Very low | 39 | Very low | 202 Ų | 202 | 140.6 Ų | 140.6 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | | | trans | 173.9 | 144.3 | 138.6 | -95.4 | -77 | 0 | 0 | 0 | 107.3 | | |
| 92 | G | 39.9 | Very low | 39.2 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | cis | 178.9 | 168.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 93 | G | 42.9 | Very low | 39.3 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | cis | -114.1 | -174.7 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 94 | K | 44.6 | Very low | 40.1 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | | | cis | 64 | 128.8 | 49.6 | -58.3 | -176.4 | -180 | 179.3 | 0 | 111.1 | | |
| 95 | H | 42.8 | Very low | 40.5 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | | | cis | -123.1 | 157.6 | 46.7 | -88.4 | -117.8 | 0 | 0 | 0 | 117.8 | | |
| 96 | T | 39.1 | Very low | 40.8 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | | | trans | -95 | 169.8 | 165.9 | 50 | 0 | 0 | 0 | 0 | 109.5 | | |
| 97 | K | 46.3 | Very low | 41.1 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | | | cis | -160.5 | 153.9 | 48.7 | -57.5 | 164.9 | -174.5 | 170.2 | 0 | 111.5 | | |
| 98 | G | 34 | Very low | 41 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -99.7 | -144.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 99 | P | 42.5 | Very low | 41.1 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | cis | -128 | 171.4 | -29 | 40.5 | -27.9 | 0 | 0 | 0 | 112 | | |
| 100 | K | 44.5 | Very low | 41.4 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -174.2 | 144.2 | 152 | -105.8 | 149.1 | -172.3 | 179.6 | 0 | 113.5 | | |
| 101 | N | 37.2 | Very low | 41.2 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -94.2 | 120.1 | 167.3 | -73.1 | -11.1 | 0 | 0 | 0 | 110.2 | | |
| 102 | S | 40.1 | Very low | 41.1 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -175.9 | 120.5 | 151.8 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 103 | S | 38.3 | Very low | 41 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -70.7 | 150.2 | 173.7 | -48.2 | 0 | 0 | 0 | 0 | 112 | | |
| 104 | P | 48 | Very low | 40.9 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | trans | -112.5 | 150 | 133.4 | 34.1 | -30.8 | 0 | 0 | 0 | 110.9 | | |
| 105 | T | 40.9 | Very low | 40.5 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | trans | -104.3 | 151.9 | -175.7 | -45.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 106 | T | 40.4 | Very low | 40.2 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | 61 | 112.2 | 160.3 | 29.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 107 | A | 40.6 | Very low | 40.2 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | | -144.8 | 144.7 | 118.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 108 | R | 35.7 | Very low | 40 | Very low | 180 Ų | 180 | 124 Ų | 124 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | | | trans | -148.5 | 127 | 175.7 | 172.4 | 177.6 | 175.6 | -105.9 | -1.2 | 108.7 | E110 | R108-E110 VanDerWaalsContact CZ-CD 3.49Å; R108-E110 IonicContact CZ-OE1 2.75Å; R108-E110 IonicContact NH1-OE1 3.22Å; R108-E110 PolarHBondContact NH1-OE1 3.28Å; R108-E110 IonicContact NH1-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.68Å; R108-E110 PolarHBondContact NH2-OE1 3.4Å |
| 109 | P | 46.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -109.4 | 152.4 | 130.1 | -10.6 | 30.5 | 0 | 0 | 0 | 109.2 | | |
| 110 | E | 41.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 58% | 0.584 | 79% | 0.791 | S | S | * | * | | | cis | 62.1 | 125.6 | 28.1 | -66.6 | -162.2 | 158.3 | 0 | 0 | 115.1 | R108 | R108-E110 VanDerWaalsContact CZ-CD 3.49Å; R108-E110 IonicContact CZ-OE1 2.75Å; R108-E110 IonicContact NH1-OE1 3.22Å; R108-E110 PolarHBondContact NH1-OE1 3.28Å; R108-E110 IonicContact NH1-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.68Å; R108-E110 PolarHBondContact NH2-OE1 3.4Å |
| 111 | T | 34.6 | Very low | 40 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | | | cis | -171.8 | 171 | -24.8 | -1.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 112 | T | 43.2 | Very low | 40.2 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | 77.5 | 137.7 | 172.4 | -30.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 113 | G | 38.2 | Very low | 40.2 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | cis | 162.7 | 177 | -11.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 114 | K | 40.1 | Very low | 40.1 | Very low | 213 Ų | 213 | 125.9 Ų | 125.9 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | 80.6 | 126.8 | 173.4 | -54.4 | -178.5 | 178.4 | -179.4 | 0 | 118.8 | | |
| 115 | G | 35 | Very low | 39.6 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | 82.4 | 128.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 116 | G | 37.5 | Very low | 39.4 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | cis | 170.9 | 153.9 | -11.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 117 | S | 39.9 | Very low | 39.2 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | trans | 50 | 134.4 | 158 | -62.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 118 | S | 41 | Very low | 39.2 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | cis | -170.1 | 161.8 | 2.3 | 53 | 0 | 0 | 0 | 0 | 112.4 | | |
| 119 | S | 41.7 | Very low | 39.1 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | 64.6 | 140.4 | 148 | -65.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 120 | K | 40.7 | Very low | 38.6 | Very low | 195 Ų | 195 | 120.7 Ų | 120.7 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | cis | -162.3 | 144.8 | 6.6 | -167.8 | -178.1 | -178.8 | -179 | 0 | 111.3 | | |
| 121 | A | 39.9 | Very low | 38.4 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | 62.8 | 163.3 | 158 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 122 | T | 41.2 | Very low | 38.5 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | | | cis | -174.1 | 143.3 | -23.4 | -86.2 | 0 | 0 | 0 | 0 | 105.3 | | |
| 123 | Q | 40.1 | Very low | 38 | Very low | 185 Ų | 185 | 121.9 Ų | 121.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | cis | -136.4 | -162.1 | 5.8 | -149.1 | 175.5 | -0.7 | 0 | 0 | 109.7 | | |
| 124 | S | 35 | Very low | 38 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -123.9 | 142.6 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 125 | T | 38 | Very low | 37.8 | Very low | 145 Ų | 145 | 119 Ų | 119 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -79.7 | 158.8 | 156.5 | 46.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 126 | G | 36.9 | Very low | 38 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -165.7 | 113.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 127 | S | 35.9 | Very low | 38.1 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -121.4 | 165.5 | -178.5 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 128 | S | 39.7 | Very low | 38 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 92% | 0.923 | 81% | 0.805 | S | S | * | * | | | trans | 73.1 | 152.9 | 178.9 | 80.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 129 | G | 34.2 | Very low | 37.9 | Very low | 79 Ų | 79 | 130.5 Ų | 130.5 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | -158.5 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 130 | S | 35.7 | Very low | 38.1 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -151 | 170.2 | 176.4 | -167.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 131 | S | 37.1 | Very low | 38.1 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -109.6 | 163.2 | -154.6 | -47.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 132 | K | 36.8 | Very low | 37.9 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | 90.4 | 100.3 | 157.5 | -67.3 | -176.5 | 174.4 | 178.6 | 0 | 119.9 | | |
| 133 | S | 33.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | | 47.3 | 135.7 | 119.6 | 70.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 134 | T | 38.1 | Very low | 37.7 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | cis | -158.6 | 165.9 | 37.6 | 47.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 135 | A | 37.1 | Very low | 37.8 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | | | cis | 177.2 | 172.4 | -22.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 136 | K | 37.6 | Very low | 37.8 | Very low | 195 Ų | 195 | 127.4 Ų | 127.4 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | 74.5 | 145.7 | -178.2 | -56.4 | -164.7 | 174.1 | -158.3 | 0 | 113.8 | | |
| 137 | T | 39.4 | Very low | 38 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | cis | -115.5 | 178.8 | 24.1 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 138 | E | 39.4 | Very low | 38.2 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 158.1 | -165 | -70.8 | 150.4 | 117.2 | 0 | 0 | 116.3 | | |
| 139 | P | 37.9 | Very low | 38.2 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97 | 160.4 | 166 | 38.7 | -33.1 | 0 | 0 | 0 | 113.1 | | |
| 140 | T | 45.3 | Very low | 38.4 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 160.2 | 178.7 | -33.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 141 | H | 41.3 | Very low | 38.7 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 162.5 | 171.6 | -56.2 | -101.4 | 0 | 0 | 0 | 113.1 | | |
| 142 | G | 36.1 | Very low | 38.8 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | cis | 127.9 | 122 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 143 | D | 37.3 | Very low | 38.9 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -164.2 | 161.2 | 174.2 | -100.2 | -41.8 | 0 | 0 | 0 | 107.4 | | |
| 144 | V | 39 | Very low | 39.1 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | cis | -129.7 | 158 | 16.6 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 145 | T | 38 | Very low | 38.8 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | -94.6 | 156 | -174.7 | -47.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 146 | S | 38.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -163.2 | 123.5 | 140.4 | -85.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 147 | S | 40.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 43.5 | 137.7 | 144.2 | -54.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 148 | S | 39.4 | Very low | 37.9 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | cis | 177.7 | 159.6 | 6.1 | 42 | 0 | 0 | 0 | 0 | 108.4 | | |
| 149 | S | 40.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | cis | -171.2 | -176.2 | -11.7 | -90.7 | 0 | 0 | 0 | 0 | 109 | | |
| 150 | Q | 38.2 | Very low | 37.4 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | | | trans | 77 | 118.9 | 173.9 | -59 | -166.7 | -24 | 0 | 0 | 117.7 | | |
| 151 | G | 41.7 | Very low | 36.9 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | 153 | 55.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 152 | S | 39.7 | Very low | 36.6 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -79.6 | 160.3 | 169.8 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 153 | S | 39.4 | Very low | 36.7 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | cis | -149.1 | 137.9 | 18.4 | 55.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 154 | Q | 35.4 | Very low | 36.7 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 74.6 | 127.5 | 141 | -70.1 | -177.3 | 8.1 | 0 | 0 | 123.2 | | |
| 155 | Q | 33.5 | Very low | 36.9 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | 66.3 | 98.2 | 144.6 | -65.4 | -174.7 | 3.2 | 0 | 0 | 121 | | |
| 156 | A | 32.3 | Very low | 36.6 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -158.4 | 104.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 157 | T | 31.4 | Very low | 36.7 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -146.4 | 135.3 | 159.8 | -39.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 158 | T | 31.4 | Very low | 36.3 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | trans | 68.9 | 108 | 170.1 | -10.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 159 | Q | 35.7 | Very low | 36.2 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | | -173.6 | 176.8 | 97 | -93.4 | -170.5 | 21.8 | 0 | 0 | 111.1 | | |
| 160 | S | 29.7 | Very low | 36.1 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | trans | -113.2 | 138.6 | -151.6 | -56 | 0 | 0 | 0 | 0 | 115.7 | | |
| 161 | A | 34.7 | Very low | 36 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | trans | -146.7 | 129.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 162 | S | 36.1 | Very low | 35.9 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | cis | 76.9 | 86.3 | 24.6 | -160.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 163 | S | 37 | Very low | 35.8 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | | | | 177.8 | 116.7 | 122.2 | -85.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 164 | K | 37.7 | Very low | 36 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | | | trans | 63.8 | 164.8 | 139.4 | -60.2 | 171.9 | -176.4 | 173.1 | 0 | 119.3 | | |
| 165 | P | 44.5 | Very low | 35.9 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | cis | -120 | 147.1 | -31.4 | 33.4 | -18.9 | 0 | 0 | 0 | 112.5 | | |
| 166 | G | 31.8 | Very low | 36.2 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | -87.9 | 167.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 167 | K | 39.4 | Very low | 36.5 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | | | trans | -156.4 | 98.8 | 160.5 | -111.1 | 171 | -174.4 | -180 | 0 | 111.4 | | |
| 168 | H | 33.3 | Very low | 36.8 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | | | trans | -109.9 | 138 | 155.8 | -103.3 | -84.5 | 0 | 0 | 0 | 107.2 | | |
| 169 | G | 36.2 | Very low | 37.3 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | 173.5 | 128.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 170 | G | 38.9 | Very low | 37.3 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | 64.9 | 100.3 | 161 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 171 | K | 36.7 | Very low | 38.1 | Very low | 217 Ų | 217 | 136.2 Ų | 136.2 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | | | trans | -92 | 113.5 | 147.1 | -77 | -170.6 | 177.1 | -175.8 | 0 | 108.2 | | |
| 172 | H | 39.9 | Very low | 38.3 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -108.4 | 141.5 | 161.9 | -123.8 | -96.4 | 0 | 0 | 0 | 108.7 | | |
| 173 | T | 36.3 | Very low | 38.3 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | trans | -91.1 | 178.8 | 175.3 | 40.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 174 | H | 43 | Very low | 38.3 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | trans | 70.2 | 134.7 | -167.6 | -35.8 | -75.5 | 0 | 0 | 0 | 112.3 | | |
| 175 | G | 34.7 | Very low | 38.2 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | cis | -162.9 | 165.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 176 | P | 40.4 | Very low | 38.3 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -88 | 130.5 | -170.4 | 32.4 | -33.5 | 0 | 0 | 0 | 113.7 | | |
| 177 | K | 38 | Very low | 38.5 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -175.8 | 120.4 | 144.8 | -100.9 | 148 | -172.3 | 179 | 0 | 114.4 | | |
| 178 | K | 37.2 | Very low | 38.5 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | 63 | 151.4 | 137.2 | -60.3 | -174.6 | 174.8 | -170.6 | 0 | 122.6 | | |
| 179 | S | 41.4 | Very low | 38.7 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | 65.7 | 92.3 | 150.2 | 40.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 180 | S | 37.4 | Very low | 38.7 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | | -10.1 | 164.6 | 113.4 | 51.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 181 | P | 45.8 | Very low | 38.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | cis | -150 | -169.4 | -24.9 | 41.7 | -21.4 | 0 | 0 | 0 | 116.3 | | |
| 182 | T | 39.2 | Very low | 38.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | 70.3 | 150.1 | 145 | -51.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 183 | T | 35.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | 71.7 | 151.9 | 165.3 | 21.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 184 | A | 37.9 | Very low | 37.5 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | cis | -139.4 | 169.1 | 8.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 185 | R | 36 | Very low | 37.2 | Very low | 190 Ų | 190 | 126.3 Ų | 126.3 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | trans | -122.9 | 130.2 | 169 | 165.9 | -175.9 | 177.9 | -119.8 | -1.8 | 108.4 | E187 | R185-E187 PolarHBondContact NH1-OE1 2.86Å; R185-E187 PolarHBondContact NH2-OE1 3.22Å; R185-E187 IonicContact NH2-OE1 2.75Å; R185-E187 IonicContact NH1-OE1 2.64Å; R185-E187 IonicContact CZ-OE1 3.08Å; R185-E187 VanDerWaalsContact CZ-CG 3.5Å |
| 186 | P | 44.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -87.8 | 150.5 | 162.2 | -8.2 | 26.9 | 0 | 0 | 0 | 111.9 | | |
| 187 | E | 37 | Very low | 37.1 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 62% | 0.621 | 80% | 0.803 | S | S | * | * | | | trans | -116.8 | 148.2 | 163.6 | -67.1 | -171.3 | 139.2 | 0 | 0 | 109.8 | R185 | R185-E187 PolarHBondContact NH1-OE1 2.86Å; R185-E187 PolarHBondContact NH2-OE1 3.22Å; R185-E187 IonicContact NH2-OE1 2.75Å; R185-E187 IonicContact NH1-OE1 2.64Å; R185-E187 IonicContact CZ-OE1 3.08Å; R185-E187 VanDerWaalsContact CZ-CG 3.5Å |
| 188 | T | 38.8 | Very low | 36.9 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -177 | 116.6 | 154.6 | 13.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 189 | T | 37.1 | Very low | 37.1 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | | 75.8 | 92.3 | 61.5 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 190 | G | 37.2 | Very low | 36.9 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -156.1 | 141.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 191 | K | 33.1 | Very low | 36.7 | Very low | 213 Ų | 213 | 128 Ų | 128 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | | | trans | -112.7 | 138.9 | -171 | -68.7 | 178.6 | -179.2 | 172.9 | 0 | 112.7 | | |
| 192 | G | 28.7 | Very low | 36.3 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | 87.9 | 163.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 193 | G | 33.4 | Very low | 36 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | 125.1 | 77 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 194 | S | 30.9 | Very low | 35.8 | Very low | 134 Ų | 134 | 129 Ų | 129 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | | | trans | -90.1 | 111.7 | 166.9 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 195 | S | 37.1 | Very low | 35.5 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | trans | -145.6 | 105.4 | 170.1 | 49.2 | 0 | 0 | 0 | 0 | 112 | | |
| 196 | S | 34.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | | | trans | -74.5 | 125.2 | 163 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 197 | K | 37.6 | Very low | 34.7 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -107.8 | 134 | 168.6 | -162.1 | 172.3 | -175.3 | 179.5 | 0 | 109.3 | | |
| 198 | A | 34.8 | Very low | 34.4 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 69% | 0.686 | 82% | 0.823 | S | S | * | * | | | trans | -128 | 162.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 199 | T | 40.8 | Very low | 34.3 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | | | trans | -140.1 | 111.9 | 164.5 | -25.4 | 0 | 0 | 0 | 0 | 103.4 | | |
| 200 | Q | 37.3 | Very low | 34 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | | 53.4 | 131.7 | 67 | -71.2 | -164.2 | -63.2 | 0 | 0 | 112.4 | | |
| 201 | S | 33.1 | Very low | 34.1 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | | | cis | -144.1 | -170 | -10.4 | -78.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 202 | T | 37.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | cis | -166.4 | 174.5 | 41.1 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 203 | E | 32.3 | Very low | 34.6 | Very low | 180 Ų | 180 | 121.3 Ų | 121.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | | | trans | -60.4 | 171.5 | -171.3 | -57.7 | 124.6 | 127.9 | 0 | 0 | 117.1 | | |
| 204 | G | 32.2 | Very low | 34.6 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | 178.9 | 55.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 205 | S | 31.3 | Very low | 35 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | trans | -75.4 | 137.2 | 175 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 206 | G | 33.7 | Very low | 35 | Very low | 82 Ų | 82 | 120.7 Ų | 120.7 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | trans | 176.8 | 94.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 207 | S | 31.1 | Very low | 35 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | -101.2 | 132.6 | 160.4 | 61.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 208 | S | 30.6 | Very low | 34.9 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | trans | -175.2 | 144.4 | 168.9 | -92.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 209 | K | 35.1 | Very low | 34.9 | Very low | 200 Ų | 200 | 116.7 Ų | 116.7 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | | | trans | 66.6 | 146 | 157 | -70 | 168.4 | -175.9 | 176.1 | 0 | 115.2 | | |
| 210 | S | 31.8 | Very low | 34.7 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | cis | -164.4 | 164.1 | -9.2 | -152.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 211 | T | 39.6 | Very low | 34.5 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | | | cis | -156.5 | 141.1 | 10.3 | -34.5 | 0 | 0 | 0 | 0 | 110 | | |
| 212 | G | 35.3 | Very low | 34.4 | Very low | 62 Ų | 62 | 113 Ų | 113 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | | | trans | 76 | 146.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q232 | G212-Q232 CarbonylContact C-O 3.55Š|
| 213 | K | 37.2 | Very low | 34.7 | Very low | 101 Ų | 101 | 113 Ų | 113 | 44% | 0.439 | 71% | 0.707 | S | S | . | * | | | cis | -159.6 | 155.4 | 8.5 | -92.6 | 161.1 | 165 | -161.2 | 0 | 107.9 | S230 Q231 Q232 | K213-S230 CarbonylContact C-O 3.58Å; K213-S230 WeakPolarHBondContact CB-O 3.17Å; K213-S230 WeakPolarHBondContact CG-O 3.44Å; K213-Q231 HydrophobicContact CG-CB 4.17Å; K213-Q231 VanDerWaalsContact O-O 3.11Å; K213-Q231 CarbonylContact O-C 3.45Å; K213-Q231 HydrophobicContact CD-CB 3.74Å; K213-Q231 HydrophobicContact CB-CB 3.93Å; K213-Q231 VanDerWaalsContact CB-C 3.45Å; K213-Q231 CarbonylContact C-O 3.46Å; K213-Q232 CarbonylContact C-O 3.52Å; K213-Q232 WeakPolarHBondContact CA-O 3.18Å; K213-Q232 HydrophobicContact CB-CB 4.5Å; K213-Q232 VanDerWaalsContact CB-O 3.23Å; K213-Q232 WeakPolarHBondContact CB-O 3.39Å; K213-Q232 HydrophobicContact CD-CB 4.2Å; K213-Q232 PolarHBondContact N-O 3.42Å |
| 214 | T | 33.7 | Very low | 34.8 | Very low | 123 Ų | 123 | 109 Ų | 109 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | | | trans | -159.4 | 133.4 | -179.6 | -38.7 | 0 | 0 | 0 | 0 | 113.6 | S230 | T214-S230 PolarHBondContact O-N 2.81Å; T214-S230 WeakPolarHBondContact O-CA 3.14Å; T214-S230 PolarHBondContact N-O 3.3Å; T214-S230 CarbonylContact O-C 3.35Å |
| 215 | K | 38.1 | Very low | 34.7 | Very low | 74 Ų | 74 | 109.3 Ų | 109.3 | 32% | 0.322 | 69% | 0.689 | S | S | . | * | | | trans | 178.5 | 149.6 | 151.3 | -152.4 | 155.4 | -179 | 176.1 | 0 | 106.3 | H218 S228 | K215-H218 VanDerWaalsContact CE-O 3.32Å; K215-H218 WeakPolarHBondContact CE-O 3.23Å; K215-H218 PolarHBondContact NZ-O 3.39Å; K215-S228 WeakPolarHBondContact CD-O 3.16Å; K215-S228 PolarHBondContact NZ-O 3.03Å |
| 216 | P | 36.4 | Very low | 35.1 | Very low | 111 Ų | 111 | 107.1 Ų | 107.1 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | | | cis | -137.4 | 137.6 | 28.3 | 40.2 | -20.7 | 0 | 0 | 0 | 120.6 | | |
| 217 | T | 35.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 110.9 Ų | 110.9 | 77% | 0.767 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -159.5 | 158.5 | 133.3 | 9.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 218 | H | 35.9 | Very low | 35.5 | Very low | 180 Ų | 180 | 110.1 Ų | 110.1 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | | | trans | 62.2 | 160.6 | -177.6 | -67.5 | -85.2 | 0 | 0 | 0 | 117.7 | K215 | K215-H218 VanDerWaalsContact CE-O 3.32Å; K215-H218 WeakPolarHBondContact CE-O 3.23Å; K215-H218 PolarHBondContact NZ-O 3.39Å |
| 219 | G | 35.8 | Very low | 35.8 | Very low | 32 Ų | 32 | 109.5 Ų | 109.5 | 33% | 0.33 | 66% | 0.659 | S | S | . | * | | | trans | 91.3 | 65.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 220 | D | 34.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 101.9 Ų | 101.9 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | | | | 64.5 | 115.6 | 117.1 | -57.5 | -36.8 | 0 | 0 | 0 | 121.4 | S226 Q227 | D220-S226 CarbonylContact O-C 3.58Å; D220-Q227 PolarHBondContact O-N 3.38Å |
| 221 | V | 33.8 | Very low | 36.2 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 40% | 0.4 | 62% | 0.624 | S | S | . | * | | | | 103.8 | 126.1 | 126.2 | 167.3 | 0 | 0 | 0 | 0 | 118.6 | S224 S225 | V221-S224 WeakPolarHBondContact CG2-O 3.38Å; V221-S225 VanDerWaalsContact CG2-N 3.33Å |
| 222 | T | 31 | Very low | 36.1 | Very low | 141 Ų | 141 | 102 Ų | 102 | 87% | 0.865 | 61% | 0.612 | S | S | * | * | S | Bend | | -117.5 | 133.5 | 57.1 | 28.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 223 | S | 44.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 102.9 Ų | 102.9 | 84% | 0.839 | 61% | 0.614 | S | S | * | * | S | Bend | cis | -114.4 | 150.3 | 0.6 | -59 | 0 | 0 | 0 | 0 | 110.5 | | |
| 224 | S | 33.9 | Very low | 36 | Very low | 97 Ų | 97 | 104 Ų | 104 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | S | Bend | cis | -132.8 | 134.6 | 4.4 | 52 | 0 | 0 | 0 | 0 | 114.2 | V221 | V221-S224 WeakPolarHBondContact CG2-O 3.38Š|
| 225 | S | 30.8 | Very low | 36 | Very low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 67.3 | 95.5 | -179.4 | 58 | 0 | 0 | 0 | 0 | 124.7 | V221 | V221-S225 VanDerWaalsContact CG2-N 3.33Š|
| 226 | S | 38 | Very low | 35.7 | Very low | 81 Ų | 81 | 108.5 Ų | 108.5 | 57% | 0.566 | 65% | 0.651 | S | S | * | * | | | | 87.1 | 89.7 | 123.7 | -52 | 0 | 0 | 0 | 0 | 126.7 | D220 | D220-S226 CarbonylContact O-C 3.58Š|
| 227 | Q | 36.7 | Very low | 35.4 | Very low | 161 Ų | 161 | 108.3 Ų | 108.3 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | | | | 72.9 | 159.6 | 117.6 | -72.7 | -175.3 | -31 | 0 | 0 | 123.8 | D220 | D220-Q227 PolarHBondContact O-N 3.38Š|
| 228 | S | 37.6 | Very low | 35.1 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | | | trans | 100.6 | 162.8 | 161.8 | 83 | 0 | 0 | 0 | 0 | 120 | K215 | K215-S228 WeakPolarHBondContact CD-O 3.16Å; K215-S228 PolarHBondContact NZ-O 3.03Å |
| 229 | S | 36.6 | Very low | 35 | Very low | 93 Ų | 93 | 104.2 Ų | 104.2 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | | | trans | -163 | 170.2 | -161.2 | 106.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 230 | S | 37.8 | Very low | 34.9 | Very low | 40 Ų | 40 | 107.7 Ų | 107.7 | 28% | 0.28 | 68% | 0.675 | S | S | . | * | | | cis | -173.4 | 176.7 | -13.4 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | K213 T214 | K213-S230 CarbonylContact C-O 3.58Å; K213-S230 WeakPolarHBondContact CB-O 3.17Å; K213-S230 WeakPolarHBondContact CG-O 3.44Å; T214-S230 PolarHBondContact O-N 2.81Å; T214-S230 WeakPolarHBondContact O-CA 3.14Å; T214-S230 PolarHBondContact N-O 3.3Å; T214-S230 CarbonylContact O-C 3.35Å |
| 231 | Q | 37.4 | Very low | 35.2 | Very low | 115 Ų | 115 | 111.7 Ų | 111.7 | 54% | 0.537 | 69% | 0.687 | S | S | . | * | | | trans | 92.6 | -141.9 | 153.8 | -66 | 179.7 | 1.1 | 0 | 0 | 122.8 | K213 | K213-Q231 HydrophobicContact CG-CB 4.17Å; K213-Q231 VanDerWaalsContact O-O 3.11Å; K213-Q231 CarbonylContact O-C 3.45Å; K213-Q231 HydrophobicContact CD-CB 3.74Å; K213-Q231 HydrophobicContact CB-CB 3.93Å; K213-Q231 VanDerWaalsContact CB-C 3.45Å; K213-Q231 CarbonylContact C-O 3.46Å |
| 232 | Q | 38.1 | Very low | 35.5 | Very low | 115 Ų | 115 | 115.1 Ų | 115.1 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | | | trans | -95.3 | -179.8 | -147.9 | -68.2 | 152.8 | -42.5 | 0 | 0 | 118.3 | G212 K213 | G212-Q232 CarbonylContact C-O 3.55Å; K213-Q232 CarbonylContact C-O 3.52Å; K213-Q232 WeakPolarHBondContact CA-O 3.18Å; K213-Q232 HydrophobicContact CB-CB 4.5Å; K213-Q232 VanDerWaalsContact CB-O 3.23Å; K213-Q232 WeakPolarHBondContact CB-O 3.39Å; K213-Q232 HydrophobicContact CD-CB 4.2Å; K213-Q232 PolarHBondContact N-O 3.42Å |
| 233 | A | 35.8 | Very low | 35.7 | Very low | 82 Ų | 82 | 111.9 Ų | 111.9 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | | | cis | -176.1 | 171.6 | -36.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 234 | T | 35 | Very low | 35.3 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | | | trans | 79.8 | 93.3 | 151.9 | -47 | 0 | 0 | 0 | 0 | 121.4 | | |
| 235 | T | 32.2 | Very low | 35.6 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | | | | 51.4 | 123.2 | 123.4 | -30.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 236 | Q | 32.3 | Very low | 35.8 | Very low | 169 Ų | 169 | 120.5 Ų | 120.5 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | | 150.7 | 114.8 | 123.2 | -81.9 | -159.6 | 17.2 | 0 | 0 | 115.1 | | |
| 237 | S | 29.7 | Very low | 35.7 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | | 72.2 | 161.1 | 129.9 | -57.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 238 | A | 29.9 | Very low | 35.8 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | | | trans | 75.7 | 137.8 | 168 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 239 | S | 34.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -120.4 | 147 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 240 | S | 32.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | | 155.7 | 125.8 | 128.1 | -74.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 241 | K | 41.5 | Very low | 35.9 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | 31.2 | 128.7 | 140.7 | -62.4 | 173.1 | -179.7 | 169.1 | 0 | 118.8 | | |
| 242 | P | 40.5 | Very low | 35.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | | -131.8 | -168.9 | 82.5 | 39.1 | -28.3 | 0 | 0 | 0 | 111.3 | | |
| 243 | G | 34.7 | Very low | 35.8 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | cis | -170.6 | 162 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 244 | K | 36.5 | Very low | 36 | Very low | 201 Ų | 201 | 139.8 Ų | 139.8 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -91.4 | 140.4 | -173.8 | -58.4 | 165.3 | 177.9 | 170.6 | 0 | 112.8 | | |
| 245 | H | 39.2 | Very low | 36.1 | Very low | 206 Ų | 206 | 141.9 Ų | 141.9 | 95% | 0.954 | 83% | 0.827 | S | S | * | * | | | trans | -145.5 | 153.4 | 141.9 | -80.7 | -93.3 | 0 | 0 | 0 | 107.7 | | |
| 246 | G | 34.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | | | cis | 162.3 | 118.4 | -9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 247 | G | 37 | Very low | 36.4 | Very low | 81 Ų | 81 | 139 Ų | 139 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | | | trans | 161 | 122.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 248 | K | 37.8 | Very low | 37 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | | | trans | -151 | 117.3 | 172.5 | -82 | -170.4 | 176.7 | -173.9 | 0 | 110.7 | | |
| 249 | Q | 38.6 | Very low | 37.3 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -149.3 | 121.1 | 145.3 | -64.8 | -168 | -10.9 | 0 | 0 | 105.8 | | |
| 250 | T | 33.8 | Very low | 37.4 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 69% | 0.693 | 83% | 0.826 | S | S | * | * | | | cis | 75 | 90.5 | 41.8 | 73.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 251 | K | 41.8 | Very low | 37.6 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | | -173.5 | 149.8 | 125 | -96.2 | 154.7 | -175.1 | 179.9 | 0 | 110 | | |
| 252 | G | 36.6 | Very low | 37.4 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | | | trans | -85.5 | -178.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 253 | P | 37.7 | Very low | 37.5 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | | | | -144.8 | -161.7 | 83.6 | 41.1 | -24.8 | 0 | 0 | 0 | 114.9 | | |
| 254 | K | 40.1 | Very low | 37.7 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | | | trans | -87.3 | 170.7 | 179.8 | -62.7 | 178.3 | 178 | 179.2 | 0 | 112.7 | S256 | K254-S256 PolarHBondContact O-N 3.36Š|
| 255 | N | 36.6 | Very low | 37.9 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -51.2 | 116.4 | 170.1 | -61.5 | 3.3 | 0 | 0 | 0 | 114 | | |
| 256 | S | 38.2 | Very low | 37.8 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -170.8 | 146 | 140.6 | 51.8 | 0 | 0 | 0 | 0 | 110.1 | K254 | K254-S256 PolarHBondContact O-N 3.36Š|
| 257 | S | 33.4 | Very low | 37.9 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -54.1 | 162.6 | 179.8 | -22 | 0 | 0 | 0 | 0 | 113.7 | | |
| 258 | P | 40.8 | Very low | 37.7 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | | | cis | -146.7 | 158.5 | 40.2 | 41.1 | -20.5 | 0 | 0 | 0 | 120.3 | | |
| 259 | T | 36.4 | Very low | 37.3 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | 48.2 | 122 | 132 | -49.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 260 | S | 37.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | 70.2 | 148.5 | 156.6 | -66.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 261 | A | 37.8 | Very low | 37 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | cis | -134.3 | -172.4 | 14.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 262 | R | 36.9 | Very low | 36.4 | Very low | 223 Ų | 223 | 124.2 Ų | 124.2 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -124 | 152.3 | -163.9 | 167.1 | 179.7 | 171.9 | -130.1 | -5.2 | 108.9 | A264 | R262-A264 HydrophobicContact CG-CB 4.44Š|
| 263 | P | 41.5 | Very low | 36.2 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | | -125.4 | 155.8 | 57.7 | 11.9 | 14.3 | 0 | 0 | 0 | 115.2 | | |
| 264 | A | 40.4 | Very low | 35.9 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 55% | 0.554 | 81% | 0.805 | S | S | * | * | | | | 75.1 | 142.5 | 50.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R262 | R262-A264 HydrophobicContact CG-CB 4.44Š|
| 265 | T | 38.8 | Very low | 35.4 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | cis | -123.6 | 161.8 | 15.8 | 48.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 266 | T | 38.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 123 Ų | 123 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | cis | 76.7 | 109.2 | 32.7 | 58.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 267 | G | 36.4 | Very low | 34.9 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -160.1 | 143.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 268 | K | 32.3 | Very low | 34.8 | Very low | 220 Ų | 220 | 124.9 Ų | 124.9 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | | | trans | -142.4 | 153.7 | -178.2 | -76.7 | -174.6 | 176.7 | -178.1 | 0 | 110.8 | | |
| 269 | G | 29.9 | Very low | 34.4 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | 117.8 | 161.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 270 | G | 33.8 | Very low | 34.5 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | 88.3 | 118 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 271 | S | 31.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | 101.2 | 96.4 | 17.3 | -53.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 272 | S | 30.5 | Very low | 34.4 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 70.4 | 147.6 | 141.5 | 66.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 273 | S | 31.5 | Very low | 34.3 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 71.2 | 96.1 | 142.6 | -61.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 274 | K | 30.9 | Very low | 34.2 | Very low | 209 Ų | 209 | 118.8 Ų | 118.8 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | | 44.9 | 98.1 | 110.3 | -170.9 | -169.6 | 179.5 | -174.7 | 0 | 119.5 | | |
| 275 | S | 30.3 | Very low | 34.3 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -166 | 122.8 | 144.5 | -156.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 276 | T | 33.5 | Very low | 34.4 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | | 83.6 | 149.6 | 80.1 | -35.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 277 | Q | 31.3 | Very low | 34.1 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | 73.2 | 154.6 | 173.9 | -67.2 | -169.6 | -91.3 | 0 | 0 | 118.6 | | |
| 278 | S | 29.8 | Very low | 34.5 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | | | cis | -173.4 | 156.2 | -28.9 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 279 | T | 33.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | | | trans | 64.9 | 166.9 | 158.7 | -7.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 280 | E | 37 | Very low | 35.1 | Very low | 182 Ų | 182 | 124.4 Ų | 124.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | cis | -158.8 | 166.6 | 6.2 | -163.3 | 151.4 | -129.4 | 0 | 0 | 112.9 | | |
| 281 | G | 34.5 | Very low | 35.4 | Very low | 59 Ų | 59 | 127.6 Ų | 127.6 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | 88.5 | 113.1 | 167 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 282 | S | 40.2 | Very low | 35.7 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | | 83.6 | 134.7 | 60.1 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 283 | G | 33.3 | Very low | 36.4 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | cis | 177.9 | 150.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 284 | S | 39.5 | Very low | 36.9 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -166.1 | 115.6 | 169.1 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 285 | S | 42.7 | Very low | 37.2 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | | 65.7 | 123.7 | 75.4 | -64.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 286 | K | 40.7 | Very low | 37.5 | Very low | 191 Ų | 191 | 129.1 Ų | 129.1 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | cis | -162.5 | 134.2 | -7.3 | -147.2 | -175.8 | -178.7 | 177.9 | 0 | 113.7 | | |
| 287 | S | 32.8 | Very low | 37.8 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | 36.4 | 121 | 149.8 | 62.8 | 0 | 0 | 0 | 0 | 124.2 | | |
| 288 | T | 44.9 | Very low | 38.1 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | | -171.1 | 107.5 | 119.3 | 18.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 289 | A | 38.7 | Very low | 38.5 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | | 93.1 | 102.3 | 65.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 290 | K | 36.2 | Very low | 38.7 | Very low | 205 Ų | 205 | 128.9 Ų | 128.9 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | | | trans | 34.1 | 142.5 | 143.7 | -51.6 | -175.4 | 178 | -175.6 | 0 | 119.4 | | |
| 291 | T | 39 | Very low | 38.6 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | cis | -153.5 | 170.4 | 43 | -57.7 | 0 | 0 | 0 | 0 | 112 | | |
| 292 | E | 38.9 | Very low | 38.7 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -107.2 | -156.8 | -174.5 | -154.4 | -161.6 | 153 | 0 | 0 | 112 | | |
| 293 | P | 44.5 | Very low | 38.8 | Very low | 97 Ų | 97 | 128 Ų | 128 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | | | | -105.2 | 167.1 | -108 | 38.3 | -26.4 | 0 | 0 | 0 | 116.8 | | |
| 294 | T | 43.4 | Very low | 38.9 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -153.2 | 156.9 | 141.9 | -8.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 295 | H | 35.9 | Very low | 38.8 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | trans | -78.6 | 151.8 | 171.1 | -75.3 | -113.7 | 0 | 0 | 0 | 111.8 | | |
| 296 | G | 37.7 | Very low | 38.6 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -162.2 | 140.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 297 | D | 38.5 | Very low | 38.5 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -99.7 | 145.7 | -157.5 | -95.8 | -53.1 | 0 | 0 | 0 | 116.4 | | |
| 298 | V | 37.7 | Very low | 38.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | | | trans | 73.3 | 143.5 | 138.3 | 173.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 299 | T | 39.6 | Very low | 38.7 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | | | trans | 65.1 | 95.6 | 166.3 | 41.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 300 | S | 37.3 | Very low | 38.7 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | | 54.1 | 133.2 | 105.3 | -54.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 301 | S | 34.2 | Very low | 38.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | 70.1 | 90 | 140 | 54.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 302 | S | 36.8 | Very low | 38.7 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -177.1 | 156.5 | 137 | -85.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 303 | S | 41.5 | Very low | 38.7 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | cis | -158.7 | 178.1 | -11.2 | 45 | 0 | 0 | 0 | 0 | 108.8 | | |
| 304 | R | 36.5 | Very low | 38.2 | Very low | 252 Ų | 252 | 132.2 Ų | 132.2 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | | | trans | -100.2 | 145.4 | -176.6 | -61.8 | 170.1 | 80.5 | 174.2 | 5.3 | 112.6 | | |
| 305 | G | 38.1 | Very low | 37.8 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 103.4 | 156.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 306 | S | 38.4 | Very low | 37.8 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | -172.5 | 165.2 | -10.9 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 307 | S | 37.6 | Very low | 38 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | 90.6 | 162.9 | 150.5 | 83.8 | 0 | 0 | 0 | 0 | 121 | | |
| 308 | Q | 39.8 | Very low | 38.2 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 73 | 110.6 | 176.9 | -50.7 | -168.4 | 20 | 0 | 0 | 115.1 | | |
| 309 | Q | 42.5 | Very low | 38.5 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | | 69.2 | 139.8 | 71.8 | -72.4 | -173.7 | -5 | 0 | 0 | 113.4 | | |
| 310 | A | 38.1 | Very low | 38.2 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | | | cis | -162.1 | 155.7 | -19.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 311 | T | 38.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | | | | 169.3 | 153.7 | 91.9 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 312 | T | 37.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 69% | 0.687 | 82% | 0.818 | S | S | * | * | | | trans | -64.4 | 162.1 | 174.7 | -8.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 313 | Q | 38.4 | Very low | 38.6 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | | -162.2 | 138.5 | 55.6 | -69.9 | -179.2 | 6.3 | 0 | 0 | 108.7 | | |
| 314 | S | 33.4 | Very low | 38.5 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | | 91.1 | 77.4 | 54.2 | -61.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 315 | A | 34.9 | Very low | 38.7 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | 179.4 | 158.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 316 | S | 36.9 | Very low | 38.7 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | cis | -173.6 | 143.7 | -40.7 | -109.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 317 | L | 41.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | 71.3 | 156.2 | 168.6 | -58.5 | 172.9 | 0 | 0 | 0 | 119 | | |
| 318 | K | 43 | Very low | 39 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | | | trans | -113.2 | 147.6 | -162.6 | -52.7 | 169.2 | -177.8 | 174.7 | 0 | 112.5 | | |
| 319 | P | 44.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -89.4 | 126.4 | 147.3 | 33.2 | -27.2 | 0 | 0 | 0 | 110.2 | | |
| 320 | G | 32.8 | Very low | 38.7 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | | | trans | -86.7 | 139.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 321 | K | 41.8 | Very low | 38.9 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | | | trans | -138.2 | 154.4 | 165.9 | -79.9 | -165.8 | 175.6 | 179.8 | 0 | 112.2 | | |
| 322 | H | 38.7 | Very low | 38.9 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 93% | 0.931 | 83% | 0.832 | S | S | * | * | | | trans | -80.6 | 160.1 | -179.2 | -63.2 | -116 | 0 | 0 | 0 | 112.2 | | |
| 323 | G | 36.1 | Very low | 39.2 | Very low | 83 Ų | 83 | 146.8 Ų | 146.8 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | | | trans | 138.5 | 124.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 324 | G | 38.8 | Very low | 39.5 | Very low | 83 Ų | 83 | 143.9 Ų | 143.9 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | | | trans | 140.8 | 95.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 325 | K | 41.1 | Very low | 40.2 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | | | trans | -92.5 | 137.5 | 162.8 | -66.5 | -178.8 | -180 | 179.5 | 0 | 108 | | |
| 326 | H | 38.4 | Very low | 40.4 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | | | trans | -104.5 | 150.2 | 151.8 | -113.2 | -105.9 | 0 | 0 | 0 | 109.5 | | |
| 327 | T | 41.6 | Very low | 40.6 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 72% | 0.718 | 84% | 0.838 | S | S | * | * | | | trans | -134.9 | 108.9 | -173.2 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 328 | E | 40.9 | Very low | 40.5 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | | | trans | -167.1 | 149.1 | 161.8 | -111.4 | 160.4 | -159.9 | 0 | 0 | 108.8 | | |
| 329 | G | 37.5 | Very low | 40.2 | Very low | 63 Ų | 63 | 142.8 Ų | 142.8 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | | | cis | 170.5 | 0.4 | -2.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 330 | Q | 38.4 | Very low | 40 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 95% | 0.953 | 82% | 0.823 | S | S | * | * | | | trans | -91.9 | 141.2 | -178.5 | -81 | -174.5 | -29.1 | 0 | 0 | 113.6 | | |
| 331 | K | 41.4 | Very low | 40.5 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | | | trans | -103.1 | 158.6 | -172.6 | -56.1 | 171.2 | -176.6 | 173 | 0 | 110.2 | | |
| 332 | N | 39.4 | Very low | 39.9 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | | | | -161.3 | 126.4 | 121.5 | -98 | -17.3 | 0 | 0 | 0 | 109.9 | | |
| 333 | S | 43.6 | Very low | 40.1 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | -136.2 | 122.6 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 334 | S | 44.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 38.7 | 149.5 | 156.7 | -54.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 335 | P | 47.9 | Very low | 40.1 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | trans | -82.6 | 163.1 | -171.5 | -8 | 27.6 | 0 | 0 | 0 | 114.6 | | |
| 336 | T | 39 | Very low | 39.7 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | 40.9 | 101.2 | 143.5 | -44.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 337 | T | 41.9 | Very low | 39.5 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | cis | -152.5 | -179.1 | 40.9 | -11.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 338 | A | 39.2 | Very low | 39.3 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | cis | -151.3 | -176.7 | 20.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 339 | R | 36.6 | Very low | 39.3 | Very low | 204 Ų | 204 | 130.3 Ų | 130.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -57.8 | 143.3 | 167 | -163.9 | 163 | -175.3 | -173.4 | 0.8 | 109.8 | Q341 | R339-Q341 VanDerWaalsContact CZ-OE1 3.31Š|
| 340 | P | 41 | Very low | 39.5 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | cis | -124.2 | -171.2 | 48.4 | 39.9 | -25.6 | 0 | 0 | 0 | 117.1 | | |
| 341 | Q | 41.8 | Very low | 39.5 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | -98.5 | 168 | -154.9 | -74.4 | 162.4 | -110.1 | 0 | 0 | 115.3 | R339 | R339-Q341 VanDerWaalsContact CZ-OE1 3.31Š|
| 342 | T | 30.7 | Very low | 39.3 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -65.2 | 148.9 | 179.4 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 343 | T | 42.4 | Very low | 39.2 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | 155.7 | 137.9 | 137.3 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 344 | G | 36.5 | Very low | 39 | Very low | 61 Ų | 61 | 130.5 Ų | 130.5 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | cis | 167 | 149.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 345 | K | 37.6 | Very low | 38.7 | Very low | 219 Ų | 219 | 129.4 Ų | 129.4 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | | | trans | 61.5 | 130.9 | 169.5 | -63.3 | -176.3 | 177.7 | -179.9 | 0 | 120.2 | | |
| 346 | G | 32.2 | Very low | 38.3 | Very low | 88 Ų | 88 | 130 Ų | 130 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | 86.2 | 142.4 | 158 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 347 | G | 35.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | 171.2 | 159.8 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 348 | S | 37.5 | Very low | 37.6 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 92% | 0.923 | 80% | 0.801 | S | S | * | * | | | trans | 69.3 | 147.9 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 349 | S | 40.5 | Very low | 37.6 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | cis | -155.8 | 173.1 | -5.1 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 350 | S | 41.6 | Very low | 37.4 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | 68.6 | 93.7 | 143.9 | 53.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 351 | K | 38.3 | Very low | 37.2 | Very low | 207 Ų | 207 | 124.4 Ų | 124.4 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | | | | 68.8 | 100.6 | 105.9 | -168.8 | -177.1 | -176.6 | 179.6 | 0 | 120 | | |
| 352 | A | 38.6 | Very low | 37 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -149.3 | 137.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 353 | T | 37.2 | Very low | 37.2 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -112 | 138.3 | -175.6 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 354 | Q | 39.6 | Very low | 36.8 | Very low | 184 Ų | 184 | 123.3 Ų | 123.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -136.4 | 156.3 | 167.9 | -162.3 | 166.7 | 11.8 | 0 | 0 | 111 | | |
| 355 | S | 38 | Very low | 36.9 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | trans | -43.8 | 143.3 | -175.3 | -46.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 356 | T | 38.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | | 52.4 | 121.5 | 69.6 | -29.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 357 | E | 36 | Very low | 37.4 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | cis | -144 | 149.1 | 30.2 | -160.8 | 160.8 | -147.6 | 0 | 0 | 112.2 | | |
| 358 | G | 30.4 | Very low | 37.7 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -149.9 | 105.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 359 | S | 39.1 | Very low | 38 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -125.6 | 92.9 | -170.8 | 39.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 360 | G | 32 | Very low | 38.7 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -119.7 | 114.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 361 | S | 37.1 | Very low | 39 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -160 | 134.8 | 168.2 | -167.1 | 0 | 0 | 0 | 0 | 112 | | |
| 362 | S | 37.7 | Very low | 39.4 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | 32.2 | 114.6 | 136.3 | -41.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 363 | K | 35.8 | Very low | 39.7 | Very low | 198 Ų | 198 | 125.2 Ų | 125.2 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | | | | 70.2 | 133.1 | 77 | -84.3 | -171 | 172.5 | -179.1 | 0 | 115.9 | | |
| 364 | S | 33.2 | Very low | 40.3 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | 68.6 | 105.3 | 149.4 | 57.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 365 | T | 39.7 | Very low | 40.4 | Very low | 140 Ų | 140 | 121 Ų | 121 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | | | | 61.7 | 113.7 | 125.4 | 60.8 | 0 | 0 | 0 | 0 | 122 | | |
| 366 | G | 36.7 | Very low | 40.6 | Very low | 68 Ų | 68 | 122.4 Ų | 122.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | | 117.5 | 140.2 | 98.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 367 | K | 42.8 | Very low | 40.7 | Very low | 209 Ų | 209 | 121.8 Ų | 121.8 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | | | trans | 69.6 | 150.9 | 156.7 | -63.3 | -173.6 | 178.1 | -171.7 | 0 | 116.6 | | |
| 368 | T | 41.3 | Very low | 40.7 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | | | cis | -159.8 | 129.4 | -7 | -102.5 | 0 | 0 | 0 | 0 | 105.4 | | |
| 369 | E | 44 | Very low | 41.1 | Very low | 166 Ų | 166 | 118.1 Ų | 118.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | | 75.8 | 174.8 | 86.6 | -130.9 | -162.9 | 146.4 | 0 | 0 | 114.4 | | |
| 370 | P | 55.8 | Low | 40.7 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | | | | -99.2 | -155 | -80 | 27.3 | -6.3 | 0 | 0 | 0 | 111.5 | | |
| 371 | T | 48.3 | Very low | 40.9 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | cis | -161.5 | 159.4 | 18.4 | -21.4 | 0 | 0 | 0 | 0 | 106 | | |
| 372 | H | 46 | Very low | 40.8 | Very low | 165 Ų | 165 | 122.3 Ų | 122.3 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | cis | -117.6 | -169.8 | 9.1 | -91.1 | -94.9 | 0 | 0 | 0 | 109.6 | D374 | H372-D374 IonicContact CE1-OD2 2.64Å; H372-D374 IonicContact CG-OD2 3.06Å; H372-D374 IonicContact ND1-OD2 2.71Å; H372-D374 PolarHBondContact ND1-OD2 3.23Å |
| 373 | G | 44.8 | Very low | 40.7 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | cis | 151.3 | -151.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 374 | D | 50.1 | Low | 40.6 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | | | cis | -179.3 | 149 | -34.5 | -99.2 | -49.5 | 0 | 0 | 0 | 107.2 | H372 | H372-D374 IonicContact CE1-OD2 2.64Å; H372-D374 IonicContact CG-OD2 3.06Å; H372-D374 IonicContact ND1-OD2 2.71Å; H372-D374 PolarHBondContact ND1-OD2 3.23Å |
| 375 | V | 42 | Very low | 40.6 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | cis | -154 | 163.1 | -7 | 70.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 376 | T | 42.2 | Very low | 40.3 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | trans | 62.7 | 135.2 | 178.1 | 54.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 377 | S | 40.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | cis | -158.1 | 150.8 | -3.3 | -93.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 378 | G | 35.7 | Very low | 40.2 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 105 | 108.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 379 | S | 39 | Very low | 40.1 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | 49.1 | 71.1 | 151.2 | 56.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 380 | S | 31.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | 44 | 80.6 | 123.5 | 63.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 381 | Q | 36.2 | Very low | 38.9 | Very low | 210 Ų | 210 | 122.8 Ų | 122.8 | 98% | 0.981 | 76% | 0.764 | S | S | * | * | | | trans | -105.8 | 100.7 | 143.5 | -70.9 | -166.5 | -70.9 | 0 | 0 | 109 | | |
| 382 | G | 33.8 | Very low | 38.4 | Very low | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | trans | -155.1 | 112.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S384 | G382-S384 PolarHBondContact O-N 3.42Š|
| 383 | S | 36.3 | Very low | 38.1 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 92% | 0.923 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 117.6 | -169.1 | 54 | 0 | 0 | 0 | 0 | 112.7 | | |
| 384 | S | 33.8 | Very low | 37.8 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -139 | 129.9 | 173.3 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | G382 | G382-S384 PolarHBondContact O-N 3.42Š|
| 385 | Q | 33.7 | Very low | 37.5 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 63.2 | 149.8 | 152 | -58.4 | -171.5 | 16 | 0 | 0 | 121.8 | | |
| 386 | Q | 32.9 | Very low | 37.6 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 56.1 | 99.8 | 161.8 | -63.9 | -174.8 | 20.1 | 0 | 0 | 119.7 | | |
| 387 | A | 38.4 | Very low | 37.3 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -145 | 68.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 388 | T | 38.5 | Very low | 37.1 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -63.8 | 138.5 | 159.3 | -26.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 389 | T | 39.6 | Very low | 37.5 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 58% | 0.577 | 80% | 0.798 | S | S | * | * | | | | -171.8 | 127 | 55.7 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 390 | Q | 38.1 | Very low | 37.4 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | 60.7 | 162.6 | 156.2 | -65.8 | 169.4 | 14.9 | 0 | 0 | 117.5 | | |
| 391 | S | 36.9 | Very low | 37.8 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | cis | -170 | 154.1 | -24.2 | -94.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 392 | A | 37.8 | Very low | 38 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | cis | -166 | -176.7 | -11.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 393 | S | 38.4 | Very low | 38.4 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | 74.8 | 141 | 164.4 | -158.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 394 | S | 39.3 | Very low | 38.5 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | -157.5 | 146.2 | -173.1 | -79.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 395 | K | 43.4 | Very low | 38.9 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | | | trans | 64.3 | -172.7 | 156 | -62.1 | 172.4 | 175.7 | 175.4 | 0 | 114.3 | | |
| 396 | P | 43.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | | -135.3 | -172.7 | -77.9 | 42.9 | -27.7 | 0 | 0 | 0 | 112.8 | | |
| 397 | G | 35.6 | Very low | 39.4 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | | | trans | -177.7 | 84.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 398 | N | 37.2 | Very low | 39.7 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -114.9 | 107.6 | 171.5 | -143.7 | 18.9 | 0 | 0 | 0 | 108.5 | | |
| 399 | H | 43.7 | Very low | 39.8 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | | | trans | -133.7 | 122.3 | 175.3 | -88.7 | -79.3 | 0 | 0 | 0 | 111 | | |
| 400 | G | 36.6 | Very low | 39.8 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -93.9 | 136.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 401 | G | 40.2 | Very low | 39.8 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -143.2 | 124.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 402 | K | 40.4 | Very low | 40 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | | | trans | -109.5 | 122 | 170.5 | -73.8 | -175.7 | 178.7 | 179.5 | 0 | 109 | | |
| 403 | H | 41.8 | Very low | 40.2 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | | | trans | -139.9 | 152.6 | 156.3 | -101.9 | -87.9 | 0 | 0 | 0 | 110.3 | | |
| 404 | T | 38.9 | Very low | 40.3 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | -119 | 134.6 | -167.3 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 405 | K | 41.6 | Very low | 40.4 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | | 165.1 | 137.8 | 128.7 | -88.9 | 161.8 | -176.8 | -178.7 | 0 | 109.6 | | |
| 406 | G | 31.6 | Very low | 39.9 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | -80.4 | -177.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 407 | P | 46.8 | Very low | 39.8 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | | -145.2 | 148.9 | 87.7 | 39.3 | -25.3 | 0 | 0 | 0 | 117.3 | | |
| 408 | R | 43.7 | Very low | 40.2 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | 57.5 | 141.1 | 140 | -85 | -173.4 | 173 | 176.2 | -2.6 | 123.8 | | |
| 409 | N | 41.7 | Very low | 40.2 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 85.8 | 90.8 | 144.5 | -66 | 9.6 | 0 | 0 | 0 | 120.9 | | |
| 410 | S | 38 | Very low | 40.1 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | | 44.2 | 104.8 | 112.1 | -46.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 411 | S | 39.4 | Very low | 40.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | 172.7 | 139.8 | 105.2 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 412 | P | 40 | Very low | 40.2 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -102.8 | 132.5 | 178.9 | 36 | -29.4 | 0 | 0 | 0 | 113.6 | | |
| 413 | T | 41.7 | Very low | 40.1 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -138.3 | 135.3 | 167.9 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 414 | T | 41.9 | Very low | 39.9 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | -35.1 | 136.6 | -175.3 | 49.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 415 | A | 39.8 | Very low | 40 | Very low | 108 Ų | 108 | 132 Ų | 132 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -155.6 | 147.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 416 | R | 34.4 | Very low | 39.9 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -147.9 | 127.3 | 176 | 163.6 | 177.3 | 172 | -179 | -1.3 | 107.3 | E418 | R416-E418 PolarHBondContact NH2-OE1 3.3Å; R416-E418 IonicContact NH2-OE1 2.87Å; R416-E418 PolarHBondContact NE-OE1 3.31Å; R416-E418 VanDerWaalsContact CZ-OE1 3.22Å; R416-E418 IonicContact CZ-OE1 3.14Å; R416-E418 IonicContact NE-OE1 2.69Å |
| 417 | P | 40.1 | Very low | 40.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | | -116.3 | 160 | 92.6 | -2.4 | 24.6 | 0 | 0 | 0 | 111.2 | | |
| 418 | E | 44.4 | Very low | 40.1 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | | | | 60.5 | 131.5 | 59.9 | -65.6 | 179.9 | -155.1 | 0 | 0 | 113.4 | R416 | R416-E418 PolarHBondContact NH2-OE1 3.3Å; R416-E418 IonicContact NH2-OE1 2.87Å; R416-E418 PolarHBondContact NE-OE1 3.31Å; R416-E418 VanDerWaalsContact CZ-OE1 3.22Å; R416-E418 IonicContact CZ-OE1 3.14Å; R416-E418 IonicContact NE-OE1 2.69Å |
| 419 | T | 37.2 | Very low | 39.9 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | cis | -154 | 173.4 | 9.2 | -5.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 420 | T | 42.8 | Very low | 39.8 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | 68.3 | 107.4 | 158.9 | -52.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 421 | A | 39.6 | Very low | 39.7 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -78.1 | 148.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 422 | K | 39.6 | Very low | 39.4 | Very low | 215 Ų | 215 | 129 Ų | 129 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | trans | -80.9 | 138.8 | 173.2 | -64 | 179.2 | 179.9 | 178.9 | 0 | 111.1 | | |
| 423 | G | 37.1 | Very low | 39.3 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -110.3 | 124.1 | 160 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 424 | G | 37.8 | Very low | 39 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -76.3 | 175.1 | 161 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 425 | S | 40.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | | | cis | -149.7 | 172.5 | 16.5 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 426 | S | 40.3 | Very low | 38.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -71 | 176.6 | 171.6 | 62 | 0 | 0 | 0 | 0 | 111.8 | | |
| 427 | S | 40.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | cis | -152.7 | 163.6 | 24.2 | -50.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 428 | K | 42.3 | Very low | 38.3 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -71.3 | 154 | 167.5 | -70 | -176.9 | 176.9 | -177.8 | 0 | 112.2 | | |
| 429 | A | 39.8 | Very low | 38 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -130.6 | 155 | 137.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 430 | T | 37.6 | Very low | 38.4 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 69% | 0.693 | 82% | 0.816 | S | S | * | * | | | trans | -152.2 | 135.4 | -176.1 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 431 | Q | 37.9 | Very low | 38.2 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -150.3 | 148.5 | 165.8 | -149.5 | 165.5 | 3.5 | 0 | 0 | 109.6 | | |
| 432 | S | 31.2 | Very low | 38.7 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | -144.2 | 134.3 | -173.1 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 433 | T | 39.3 | Very low | 38.8 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | -170.1 | 152 | 165.9 | 30.6 | 0 | 0 | 0 | 0 | 105.9 | | |
| 434 | G | 35.1 | Very low | 39 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | cis | 174.3 | 149.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 435 | S | 31.5 | Very low | 39.6 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -106 | 124.4 | -164.1 | -56.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 436 | S | 37.5 | Very low | 39.8 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | 179.4 | 159.7 | 157.6 | 46.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 437 | G | 31.3 | Very low | 40.5 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | cis | 135.3 | 89.8 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 438 | S | 40 | Very low | 41.2 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | 175.2 | 164.1 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 439 | S | 38.7 | Very low | 41.4 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | | 178.1 | 128.5 | -54.9 | -91 | 0 | 0 | 0 | 0 | 111.8 | | |
| 440 | K | 46.6 | Very low | 41.6 | Very low | 205 Ų | 205 | 129.3 Ų | 129.3 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | trans | 172.3 | 123 | 163.9 | -99.1 | 159.1 | -177.1 | -179.9 | 0 | 107.1 | | |
| 441 | S | 37.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | cis | 74.3 | 131.6 | 34.8 | -136.9 | 0 | 0 | 0 | 0 | 113 | | |
| 442 | T | 51.3 | Low | 42.5 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | cis | -140 | 170.8 | 23.3 | 46 | 0 | 0 | 0 | 0 | 116.2 | | |
| 443 | A | 40.1 | Very low | 43.3 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -72.4 | -172.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 444 | K | 41.4 | Very low | 43.5 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | cis | -175.9 | 141 | -12 | -128.6 | -175.1 | -178.4 | -161.5 | 0 | 107.7 | | |
| 445 | T | 51.2 | Low | 44 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -154.7 | 146.8 | 161.8 | -35.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 446 | E | 45.3 | Very low | 44.7 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -147.4 | 172.3 | 173.6 | -121.3 | -163.5 | 118.2 | 0 | 0 | 107.9 | | |
| 447 | P | 55.1 | Low | 45 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | cis | -117.4 | -141.1 | 27.5 | 26 | -0.4 | 0 | 0 | 0 | 112.6 | | |
| 448 | T | 53.5 | Low | 45.6 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | -162.5 | 171.1 | 19 | -30.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 449 | H | 46.6 | Very low | 45.5 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 169.1 | 171.2 | -41.7 | -70.3 | 0 | 0 | 0 | 113.7 | | |
| 450 | G | 45 | Very low | 45.7 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | -143.1 | -175.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 451 | D | 49.7 | Very low | 45.4 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | cis | -152.4 | -178.1 | 41.1 | -104.7 | -39.2 | 0 | 0 | 0 | 114.3 | | |
| 452 | V | 44 | Very low | 45.6 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -92.7 | 141.9 | -169.9 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 453 | T | 48.8 | Very low | 45.2 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | | | | -159.4 | 138.4 | 86.9 | 48.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 454 | S | 43.3 | Very low | 45.2 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 29 | 136.3 | 131.6 | -53.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 455 | S | 46 | Very low | 45.3 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | cis | -164.5 | 167.2 | 20.5 | 51 | 0 | 0 | 0 | 0 | 114.6 | | |
| 456 | S | 45.1 | Very low | 44.8 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | 14.1 | 143.8 | 148.6 | 59 | 0 | 0 | 0 | 0 | 121.6 | | |
| 457 | S | 44.2 | Very low | 44.8 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | cis | -172.1 | 159.5 | 1.3 | -102.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 458 | Q | 43.2 | Very low | 43.8 | Very low | 197 Ų | 197 | 129 Ų | 129 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | 41.5 | 127.8 | 146.8 | -61.8 | 173.8 | -40.8 | 0 | 0 | 121.1 | | |
| 459 | G | 39.4 | Very low | 43 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | 179.9 | 65.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 460 | S | 43.2 | Very low | 42.7 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -10.5 | 126.3 | 171.1 | 57.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 461 | S | 39.2 | Very low | 42.7 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -70.2 | 139.9 | 162.4 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 462 | Q | 42.2 | Very low | 42.7 | Very low | 190 Ų | 190 | 128.4 Ų | 128.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -132 | 129.2 | 154.6 | -73.1 | -164.5 | 2.3 | 0 | 0 | 110.4 | | |
| 463 | Q | 42.6 | Very low | 43.5 | Very low | 188 Ų | 188 | 128.4 Ų | 128.4 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | -96.1 | 138.2 | 168 | -69.7 | -176 | -13.2 | 0 | 0 | 109.6 | | |
| 464 | A | 40 | Very low | 43.1 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -132 | 87 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 465 | T | 42.7 | Very low | 43.1 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -106.6 | 82.8 | 179.5 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | Q467 | T465-Q467 PolarHBondContact O-N 3.41Š|
| 466 | T | 42.1 | Very low | 43.3 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | | | trans | -71.3 | 115 | -177.7 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 467 | Q | 44.3 | Very low | 43.1 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | | | trans | -91.6 | 149.4 | 176.9 | -68.1 | -170.4 | -5.2 | 0 | 0 | 113.4 | T465 | T465-Q467 PolarHBondContact O-N 3.41Š|
| 468 | S | 34.1 | Very low | 43.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 53.6 | 100.2 | 143.9 | -61.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 469 | A | 37.3 | Very low | 43.3 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -135 | 98.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 470 | S | 40.8 | Very low | 43.5 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | | | trans | -119.6 | 99.2 | -178.5 | -175 | 0 | 0 | 0 | 0 | 110.8 | | |
| 471 | S | 45.3 | Very low | 43.7 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -124.2 | 93.7 | -175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 472 | K | 49.1 | Very low | 44 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 130.7 | 174.2 | -69 | 175.9 | -179.5 | 171.2 | 0 | 110.4 | G474 | K472-G474 PolarHBondContact O-N 3.47Š|
| 473 | P | 59.7 | Low | 43.7 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.6 | 170.7 | -22.2 | 33.9 | 0 | 0 | 0 | 111.8 | | |
| 474 | G | 40.9 | Very low | 44.5 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | K472 H476 | K472-G474 PolarHBondContact O-N 3.47Å; G474-H476 PolarHBondContact O-N 3.16Å |
| 475 | K | 44.1 | Very low | 44.7 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -87 | 98.1 | 176.4 | -68.1 | -178.8 | 179.9 | 178 | 0 | 111.3 | G477 | K475-G477 PolarHBondContact O-N 3.24Š|
| 476 | H | 49.6 | Very low | 44.7 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | | | trans | -87.6 | 88.5 | 167.5 | -82.1 | -80.5 | 0 | 0 | 0 | 111.9 | G474 G478 | G474-H476 PolarHBondContact O-N 3.16Å; H476-G478 PolarHBondContact O-N 2.87Å |
| 477 | G | 41.1 | Very low | 44.7 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | trans | -89.2 | 76 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K475 K479 | K475-G477 PolarHBondContact O-N 3.24Å; G477-K479 PolarHBondContact O-N 2.71Å |
| 478 | G | 44.3 | Very low | 44.7 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | -76.3 | 101 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H476 | H476-G478 PolarHBondContact O-N 2.87Š|
| 479 | K | 46.6 | Very low | 45.4 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -108.4 | 116.6 | 164.8 | -75 | -174.4 | 177.9 | -178.9 | 0 | 109.9 | G477 | G477-K479 PolarHBondContact O-N 2.71Š|
| 480 | H | 44.5 | Very low | 45.7 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | | | trans | -128.9 | 137.7 | 160.5 | -93 | -87 | 0 | 0 | 0 | 110.1 | | |
| 481 | T | 47.6 | Very low | 46 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | | | trans | -117.3 | 147.8 | -166.5 | 29.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 482 | H | 46.4 | Very low | 45.8 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | 42.5 | 97.3 | 157.5 | -52.6 | -54.2 | 0 | 0 | 0 | 118.8 | | |
| 483 | G | 34.5 | Very low | 45.2 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | | | trans | -76.5 | 154.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 484 | P | 59.8 | Low | 44.2 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | | | trans | -78 | 174.3 | 176.2 | 32.9 | -35.6 | 0 | 0 | 0 | 113.5 | | |
| 485 | K | 44.4 | Very low | 44.1 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | -93.2 | 138.5 | -168.1 | -67.1 | 171.2 | -178.6 | 168.5 | 0 | 114.2 | | |
| 486 | K | 41.3 | Very low | 43.6 | Very low | 202 Ų | 202 | 141 Ų | 141 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | | | trans | 48.7 | 104 | 140.4 | -61.8 | -177.4 | 176.9 | -171.4 | 0 | 119.7 | | |
| 487 | S | 42.4 | Very low | 43.3 | Very low | 124 Ų | 124 | 138 Ų | 138 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | | -156.6 | 162.9 | 123.8 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 488 | S | 45.6 | Very low | 43.2 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -114.1 | -173.1 | -158.6 | -46.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 489 | P | 48.3 | Very low | 42.9 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | | -126.2 | -172.4 | -98 | 39.7 | -22.1 | 0 | 0 | 0 | 113 | | |
| 490 | T | 43.1 | Very low | 42.4 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | 179.2 | 128.1 | 134.8 | -79.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 491 | T | 48.2 | Very low | 42.1 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | | | trans | 55.9 | 146.3 | 174.9 | 43.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 492 | A | 39.7 | Very low | 41.6 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | cis | -123 | 171.3 | 5.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 493 | R | 36.7 | Very low | 41.1 | Very low | 204 Ų | 204 | 130 Ų | 130 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | | | trans | -145 | 138 | -173.9 | 164.9 | 169.4 | -176.8 | -131.4 | -5.4 | 109.6 | Q495 | R493-Q495 PolarHBondContact NH2-O 2.69Š|
| 494 | P | 38.4 | Very low | 41.4 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | | -138.7 | 125.8 | 109.7 | 30.7 | -14.6 | 0 | 0 | 0 | 114.1 | | |
| 495 | Q | 39.4 | Very low | 40.4 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 82% | 0.815 | S | S | * | * | | | trans | -129.9 | 115.2 | 161.4 | -101.4 | -169.8 | -11.4 | 0 | 0 | 109.6 | R493 | R493-Q495 PolarHBondContact NH2-O 2.69Š|
| 496 | T | 34.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | | | trans | 45.1 | 147.8 | 137.3 | 60.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 497 | T | 42 | Very low | 40.1 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | 83.6 | 97.8 | 152.7 | -35.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 498 | G | 39.3 | Very low | 39.7 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -122.5 | 151.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 499 | K | 39.2 | Very low | 39.3 | Very low | 212 Ų | 212 | 130.5 Ų | 130.5 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -119.2 | 135.6 | 173.4 | -73.4 | -176.5 | 177.6 | 179.9 | 0 | 110 | | |
| 500 | G | 36.3 | Very low | 38.8 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | 137.3 | 162.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 501 | G | 37.3 | Very low | 38.5 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | | | trans | 105.7 | 85.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 502 | S | 36.4 | Very low | 37.8 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -46.6 | 153.2 | 172.6 | -45.9 | 0 | 0 | 0 | 0 | 118 | | |
| 503 | S | 36.3 | Very low | 37.8 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | 59.4 | 130.2 | 151 | 49.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 504 | S | 41.2 | Very low | 37.8 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | | -158.2 | 174.9 | 73.8 | -70.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 505 | K | 39.8 | Very low | 37.9 | Very low | 203 Ų | 203 | 126.2 Ų | 126.2 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -75.6 | 141.3 | -178.4 | -66 | 177 | 176.5 | 177.9 | 0 | 113.9 | | |
| 506 | A | 39.6 | Very low | 37.9 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | | | trans | -151.1 | 111.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 507 | T | 38.2 | Very low | 38.1 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | | | | 77.4 | 125.9 | 71.1 | -55 | 0 | 0 | 0 | 0 | 112.2 | | |
| 508 | Q | 35 | Very low | 37.9 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | | | trans | -90.2 | 150.5 | -172.1 | -59.7 | 159.8 | -93.7 | 0 | 0 | 112.5 | | |
| 509 | S | 36.4 | Very low | 38 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | 178.6 | 145.5 | 156 | -100.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 510 | T | 38.4 | Very low | 38.3 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | | | cis | -150.6 | 160.7 | -11.1 | -72.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 511 | E | 36.8 | Very low | 38.7 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | | | trans | -73 | 158.6 | -179.8 | -63.3 | 173.3 | 109.8 | 0 | 0 | 114.4 | | |
| 512 | G | 33.4 | Very low | 39.4 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | | | trans | -145.2 | 134.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 513 | S | 39.9 | Very low | 39.9 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | | | trans | -125.5 | 162.5 | -155.7 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 514 | G | 36.3 | Very low | 41 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | | | trans | 175.3 | 103.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 515 | S | 41.2 | Very low | 41.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | | | trans | 50.7 | 141.1 | 135.2 | -171.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 516 | S | 39.2 | Very low | 41.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | | | cis | -167.3 | 155.9 | -16.2 | -82.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 517 | K | 37.2 | Very low | 41.6 | Very low | 214 Ų | 214 | 135 Ų | 135 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | | | trans | -144.7 | 125.4 | 162.9 | -110.4 | 179.2 | -179.4 | 177.2 | 0 | 110.5 | | |
| 518 | S | 39 | Very low | 41.6 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -96.1 | 146.6 | -179.4 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 519 | T | 40.2 | Very low | 42.1 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -134.7 | 71.8 | 173.5 | 42.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 520 | G | 46.1 | Very low | 42.3 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -67.9 | 133 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 521 | K | 44.8 | Very low | 42.5 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | | | trans | -110.9 | 122.2 | 167.6 | -73.8 | -176.6 | 178.3 | 179.7 | 0 | 109.2 | | |
| 522 | T | 52.4 | Low | 42.8 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -139.7 | 140.1 | 167.8 | -32.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 523 | K | 47 | Very low | 43.1 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | | | trans | -113.3 | 113.7 | -176.8 | 178.7 | -162.9 | 172.6 | -166 | 0 | 109.5 | | |
| 524 | P | 59.1 | Low | 43.1 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 147.9 | 163.3 | -14.8 | 30.8 | 0 | 0 | 0 | 111 | | |
| 525 | T | 50.5 | Low | 43.3 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94 | 152.4 | 168.3 | -45.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 526 | H | 40.7 | Very low | 43.4 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66 | 147.8 | 172.7 | -77.1 | -104.3 | 0 | 0 | 0 | 111.5 | | |
| 527 | G | 42.7 | Very low | 43.8 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | | | trans | -161.5 | 117.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 528 | D | 37.7 | Very low | 43.9 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | | | trans | -87.6 | 131.7 | -172.4 | -55.1 | -70.4 | 0 | 0 | 0 | 111.9 | | |
| 529 | V | 46 | Very low | 44.1 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | | | trans | -142.6 | 105 | 154.8 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 530 | T | 39.3 | Very low | 44.3 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | | | trans | -100 | 109.2 | 161.5 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 531 | S | 43.9 | Very low | 44.1 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | | | trans | -158.2 | 103.8 | 166.9 | -91.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 532 | S | 41.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -157 | 101.7 | 162.8 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 533 | S | 40.3 | Very low | 43.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -81.2 | 156.6 | 175.5 | 39.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 534 | S | 39.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -67.9 | 145 | -171.5 | -43.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 535 | Q | 41.2 | Very low | 42.5 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | | | | 172.4 | 151.7 | 120.6 | -94.4 | 175.5 | -5.4 | 0 | 0 | 110.9 | | |
| 536 | G | 43.3 | Very low | 42 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | 138.7 | 126.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 537 | S | 47.4 | Very low | 42.1 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -83.1 | 139.7 | -171.1 | 41.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 538 | S | 38.3 | Very low | 42.4 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | | | trans | -8.6 | 128.5 | 154.4 | 56.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 539 | Q | 44 | Very low | 42.9 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | | | trans | -141.1 | 167.8 | 137.2 | -90.5 | -164.2 | 5.7 | 0 | 0 | 110.7 | | |
| 540 | Q | 43.7 | Very low | 43.8 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | -86 | 141.9 | -165.4 | -63.5 | 176.1 | -17.2 | 0 | 0 | 114.2 | | |
| 541 | A | 41.9 | Very low | 44.1 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | | | trans | -151.3 | 98.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T543 | A541-T543 PolarHBondContact O-N 2.87Š|
| 542 | T | 41 | Very low | 44.1 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | | | trans | -92 | 89.2 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | Q544 | T542-Q544 PolarHBondContact O-N 2.64Š|
| 543 | T | 48.5 | Very low | 44.7 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | | | trans | -74.9 | 113.9 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | A541 | A541-T543 PolarHBondContact O-N 2.87Š|
| 544 | Q | 45.2 | Very low | 44.7 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 74% | 0.738 | 82% | 0.822 | S | S | * | * | | | trans | -89.6 | 152.6 | 179.5 | -64.5 | -171 | 1.3 | 0 | 0 | 113.6 | T542 | T542-Q544 PolarHBondContact O-N 2.64Š|
| 545 | S | 35.1 | Very low | 45.2 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | 54.9 | 104.9 | 142.1 | -64 | 0 | 0 | 0 | 0 | 120.6 | | |
| 546 | A | 40.3 | Very low | 45.6 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -129.8 | 72.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 547 | S | 43.8 | Very low | 45.9 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | -99.1 | 88.2 | 178.6 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | K549 | S547-K549 PolarHBondContact O-N 2.67Š|
| 548 | S | 48.6 | Very low | 46 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -90.6 | 91.7 | 179.5 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | P550 | S548-P550 WeakPolarHBondContact O-CD 3.46Š|
| 549 | K | 48.4 | Very low | 46.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 81% | 0.809 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 123.8 | 169.8 | -71.1 | 174.2 | -178.8 | 167 | 0 | 110.5 | S547 G551 | S547-K549 PolarHBondContact O-N 2.67Å; K549-G551 PolarHBondContact O-N 2.75Å |
| 550 | P | 63.5 | Low | 46.3 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132.7 | 171.3 | -22.4 | 34.7 | 0 | 0 | 0 | 111.9 | S548 | S548-P550 WeakPolarHBondContact O-CD 3.46Š|
| 551 | G | 46.9 | Very low | 46.2 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69 | 150.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K549 H553 | K549-G551 PolarHBondContact O-N 2.75Å; G551-H553 PolarHBondContact O-N 2.69Å; G551-H553 VanDerWaalsContact O-N 3.16Å |
| 552 | K | 43.8 | Very low | 46.3 | Very low | 214 Ų | 214 | 140.1 Ų | 140.1 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | | | trans | -77.7 | 95.4 | -177.8 | -65 | 177.3 | -178.6 | 174.8 | 0 | 112.3 | | |
| 553 | H | 53.3 | Low | 46.5 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | | | trans | -95.8 | 99.5 | 163.3 | -86.5 | -86.7 | 0 | 0 | 0 | 111.8 | G551 G555 | G551-H553 PolarHBondContact O-N 2.69Å; G551-H553 VanDerWaalsContact O-N 3.16Å; H553-G555 PolarHBondContact O-N 2.68Å |
| 554 | G | 41.5 | Very low | 46.2 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | -86.4 | 76 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 555 | G | 50.1 | Low | 46.1 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | | | trans | -87.3 | 116 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | H553 | H553-G555 PolarHBondContact O-N 2.68Š|
| 556 | K | 48.4 | Very low | 46.6 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | | | trans | -90.6 | 110.9 | 176.6 | -69.2 | -178.2 | -178.7 | 177.1 | 0 | 111.4 | | |
| 557 | H | 50.7 | Low | 46.7 | Very low | 188 Ų | 188 | 140 Ų | 140 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | | | trans | -123.6 | 132.7 | 159 | -78.4 | -86.9 | 0 | 0 | 0 | 110.7 | | |
| 558 | T | 48.8 | Very low | 47 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | | | trans | -90.5 | 154.2 | -170.1 | 38.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 559 | K | 48.2 | Very low | 46.7 | Very low | 214 Ų | 214 | 140.1 Ų | 140.1 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | | | trans | -70.5 | 141.5 | -172.8 | -57.9 | 177.9 | -179.3 | -179.7 | 0 | 112.5 | | |
| 560 | G | 39.6 | Very low | 46.2 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -158.7 | 110.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 561 | P | 42.8 | Very low | 45.4 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | trans | -96.9 | 155 | -164.4 | 36.1 | -35.7 | 0 | 0 | 0 | 114.6 | | |
| 562 | K | 43.5 | Very low | 45.5 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -159.6 | 133.7 | 151 | -111.6 | 161.9 | -173.1 | 176.5 | 0 | 111.2 | | |
| 563 | N | 44.9 | Very low | 45.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | | | trans | -84.2 | 145.1 | 178 | -57.5 | -8.5 | 0 | 0 | 0 | 110.7 | | |
| 564 | S | 42.4 | Very low | 45.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | | 175.6 | 146 | 128.3 | -76.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 565 | S | 43 | Very low | 45.8 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -79.4 | 142.8 | -170.6 | -46.1 | 0 | 0 | 0 | 0 | 114 | | |
| 566 | P | 45.2 | Very low | 45.3 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -89.5 | 116.8 | 161.2 | 33.1 | -28.1 | 0 | 0 | 0 | 110.7 | | |
| 567 | T | 43.8 | Very low | 44.8 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -98.2 | 106.1 | 167.8 | -57.6 | 0 | 0 | 0 | 0 | 109 | | |
| 568 | T | 50.4 | Low | 44.6 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -77.4 | 135.2 | -179.3 | -35.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 569 | A | 41.6 | Very low | 44.2 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -146.9 | 124.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 570 | R | 38.5 | Very low | 44.1 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | 67.5 | 141.9 | 161.2 | -148 | 156.8 | 174.1 | -144.6 | 1.4 | 115.4 | E572 | R570-E572 HydrophobicContact CG-CB 4.45Å; R570-E572 HydrophobicContact CG-CG 4.36Å; R570-E572 IonicContact CZ-OE2 3.89Å; R570-E572 IonicContact NE-OE2 2.69Å; R570-E572 PolarHBondContact NE-OE2 3.02Å; R570-E572 IonicContact NH2-OE2 3.75Å; R570-E572 PolarHBondContact NH2-OE2 3.03Å |
| 571 | P | 46.1 | Very low | 44.3 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | | -127 | 147.3 | 94.6 | 36.7 | -31.6 | 0 | 0 | 0 | 113 | | |
| 572 | E | 49.6 | Very low | 44.3 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 66% | 0.659 | 82% | 0.815 | S | S | * | * | | | trans | -123.4 | 123.3 | 157.3 | -77.5 | 180 | 127.3 | 0 | 0 | 106.4 | R570 | R570-E572 HydrophobicContact CG-CB 4.45Å; R570-E572 HydrophobicContact CG-CG 4.36Å; R570-E572 IonicContact CZ-OE2 3.89Å; R570-E572 IonicContact NE-OE2 2.69Å; R570-E572 PolarHBondContact NE-OE2 3.02Å; R570-E572 IonicContact NH2-OE2 3.75Å; R570-E572 PolarHBondContact NH2-OE2 3.03Å |
| 573 | T | 46.8 | Very low | 44.3 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | | | trans | -90.2 | 132.4 | 176.4 | 43.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 574 | T | 45 | Very low | 44.1 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -124.1 | 98.1 | 170 | -51.9 | 0 | 0 | 0 | 0 | 109 | | |
| 575 | A | 51.9 | Low | 44.1 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -72.3 | 150.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 576 | K | 39.2 | Very low | 43.8 | Very low | 202 Ų | 202 | 131.9 Ų | 131.9 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | | | trans | -129.8 | 148.6 | 173.9 | -78.7 | -173.4 | 175.3 | -177 | 0 | 109.9 | | |
| 577 | G | 39.6 | Very low | 43.7 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | 99.6 | 133.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 578 | G | 45.7 | Very low | 43.5 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | 148.5 | 65.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 579 | S | 41.3 | Very low | 43.1 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -97.2 | 130.2 | 180 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 580 | S | 44.6 | Very low | 43.1 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | -179.1 | 159.7 | 140.3 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 581 | S | 45.4 | Very low | 43 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | 56 | 109 | 152.6 | -56.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 582 | K | 42.8 | Very low | 42.5 | Very low | 204 Ų | 204 | 123.9 Ų | 123.9 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -65.4 | 144.6 | 152.8 | -69.7 | -179.5 | 176.6 | -179.2 | 0 | 110.1 | | |
| 583 | A | 42.7 | Very low | 42 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -132.1 | 134.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 584 | T | 40.1 | Very low | 41.5 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 83% | 0.827 | S | S | * | * | | | trans | -141 | 117.7 | 172.8 | -54.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 585 | Q | 42.9 | Very low | 40.9 | Very low | 195 Ų | 195 | 124.5 Ų | 124.5 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | | | trans | -123.3 | 140.9 | 172.4 | -79.1 | -176.9 | -43 | 0 | 0 | 109.1 | | |
| 586 | S | 35.9 | Very low | 40.2 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -143.3 | 118.3 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 108 | | |
| 587 | T | 44.7 | Very low | 40.1 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | | | trans | -159.2 | 139.4 | 176.8 | 45 | 0 | 0 | 0 | 0 | 106.9 | | |
| 588 | G | 39.4 | Very low | 40.2 | Very low | 60 Ų | 60 | 125.9 Ų | 125.9 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | | | cis | -141.1 | 168.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 589 | S | 41.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | | 83.9 | 141.1 | 86 | -61.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 590 | S | 40.3 | Very low | 40 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | cis | -176.4 | 120.2 | -21.1 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 591 | G | 37.5 | Very low | 40.3 | Very low | 82 Ų | 82 | 129 Ų | 129 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 65.2 | -171.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 592 | S | 36.1 | Very low | 40.4 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | cis | -161.8 | 157.7 | -19.7 | -161 | 0 | 0 | 0 | 0 | 111 | | |
| 593 | S | 38.5 | Very low | 40.7 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | 66.7 | 157.4 | 159.7 | -68.6 | 0 | 0 | 0 | 0 | 121 | | |
| 594 | K | 35.4 | Very low | 40.6 | Very low | 203 Ų | 203 | 125 Ų | 125 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -74.5 | 149 | 169.7 | -49.7 | 164.8 | -177.1 | 173.9 | 0 | 109.8 | | |
| 595 | S | 32.4 | Very low | 40.3 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | | 168 | 137.5 | 109.4 | -156.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 596 | T | 37.5 | Very low | 40.4 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | | | trans | 33 | 128 | 144 | 57.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 597 | A | 36.4 | Very low | 40.7 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 88.6 | 162.6 | 131.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 598 | K | 43.5 | Very low | 40.3 | Very low | 200 Ų | 200 | 122.6 Ų | 122.6 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | | | trans | 81.3 | 125.8 | 175.7 | -63.7 | -175.4 | -179.6 | -176.4 | 0 | 115.8 | | |
| 599 | T | 42.7 | Very low | 40.5 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | cis | -151.1 | 146.5 | -1.8 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 600 | E | 40 | Very low | 40.4 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -14.5 | 170.4 | 149 | -91.3 | -168.6 | 115 | 0 | 0 | 121.7 | T602 | E600-T602 WeakPolarHBondContact OE1-CG2 3.19Š|
| 601 | P | 49.3 | Very low | 40.4 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | cis | -138.9 | 155.6 | 28.3 | 44 | -26.5 | 0 | 0 | 0 | 120.3 | | |
| 602 | T | 47.7 | Very low | 40.5 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 53% | 0.528 | 77% | 0.773 | S | S | . | * | | | trans | 30.8 | 149.1 | 135.3 | 71.5 | 0 | 0 | 0 | 0 | 122 | E600 | E600-T602 WeakPolarHBondContact OE1-CG2 3.19Š|
| 603 | H | 49.3 | Very low | 40.7 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | cis | -142.4 | 168.8 | 6.6 | -67.7 | -85 | 0 | 0 | 0 | 108.1 | | |
| 604 | G | 40.4 | Very low | 40.9 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | cis | -179.7 | 166.7 | -2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 605 | D | 35.4 | Very low | 41.3 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | trans | -75.2 | 172 | -174.2 | -52.2 | -91.5 | 0 | 0 | 0 | 114.9 | | |
| 606 | V | 44.2 | Very low | 41.9 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | | 170 | 148.5 | 117.6 | 155.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 607 | T | 41.9 | Very low | 42.2 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | 66.2 | 110.7 | 168.4 | 40.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 608 | S | 36.2 | Very low | 42.5 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -80.1 | 147.8 | 146 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 609 | S | 43.5 | Very low | 42.4 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | | | trans | -169.2 | 113.9 | 153.6 | -78 | 0 | 0 | 0 | 0 | 108 | | |
| 610 | S | 40.3 | Very low | 42.2 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | | 50.9 | 99.7 | 81 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 611 | S | 39.8 | Very low | 42.3 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | | 82.9 | 122.4 | 76.9 | -68.8 | 0 | 0 | 0 | 0 | 114 | | |
| 612 | Q | 40.1 | Very low | 41.6 | Very low | 204 Ų | 204 | 125.4 Ų | 125.4 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | | | trans | 156 | 162.7 | 138.1 | -86.9 | 179.4 | -19.8 | 0 | 0 | 112.6 | | |
| 613 | G | 39.8 | Very low | 41.2 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | trans | 113.3 | 67.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 614 | S | 43.7 | Very low | 41 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | | 49.2 | 132.5 | 72 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 615 | S | 44.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | cis | -167.9 | 151.6 | 34.6 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 616 | Q | 44.9 | Very low | 41.5 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | 65.1 | 153 | 151.1 | -63.8 | 159.8 | 18.7 | 0 | 0 | 117.1 | | |
| 617 | Q | 43.8 | Very low | 41.6 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | cis | -150.1 | 158.6 | -6.3 | -121.5 | 170 | 5.7 | 0 | 0 | 108.4 | | |
| 618 | A | 42.3 | Very low | 41.4 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | | 37.9 | 135.1 | 111.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 619 | T | 41.3 | Very low | 41.8 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | | | cis | -149.7 | 168.6 | 21.8 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 620 | T | 37.8 | Very low | 42 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | -76 | 167.2 | -177.9 | -36.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 621 | Q | 41.8 | Very low | 42.1 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | 104.9 | 92.9 | 152.8 | -58.9 | -166.9 | -1.7 | 0 | 0 | 120.8 | | |
| 622 | S | 34.7 | Very low | 42.3 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | | 41.6 | 146.9 | 118.8 | -55.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 623 | A | 40 | Very low | 43.1 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | 80.9 | 150 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 624 | S | 44.1 | Very low | 43.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | cis | -141.7 | -170.1 | 7.9 | 76.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 625 | S | 42.5 | Very low | 43.9 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -78.2 | 152.4 | -165.2 | -57.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 626 | K | 43.8 | Very low | 44.2 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | 0.8 | 161.1 | 133.6 | -67.1 | 178 | -179.4 | 175.7 | 0 | 119 | | |
| 627 | P | 46.2 | Very low | 44.1 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | cis | -146.6 | 159.6 | -28.2 | 38.5 | -19.8 | 0 | 0 | 0 | 117.3 | | |
| 628 | G | 38 | Very low | 44.7 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | 111.9 | 165.4 | 130.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 629 | K | 44.8 | Very low | 44.9 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | 76 | 109.6 | 155.2 | -72.8 | -172.4 | 171 | -177.3 | 0 | 123.3 | | |
| 630 | H | 47.7 | Very low | 45.3 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | 71 | 143.7 | 133.2 | -64.1 | -64 | 0 | 0 | 0 | 124.1 | | |
| 631 | G | 42.5 | Very low | 45.5 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 110.2 | 91.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 632 | G | 45 | Very low | 45.8 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | | 117.1 | 165.5 | 78.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 633 | K | 55.9 | Low | 46.7 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -160.6 | 148.3 | -0.9 | -96.7 | -167.7 | 179.8 | -175.3 | 0 | 110.1 | | |
| 634 | H | 48.8 | Very low | 46.9 | Very low | 154 Ų | 154 | 134 Ų | 134 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | 66.6 | 165.1 | 146.7 | -73.9 | -127 | 0 | 0 | 0 | 120.6 | | |
| 635 | T | 51.5 | Low | 46.9 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 59% | 0.589 | 79% | 0.787 | S | S | * | * | | | cis | -174.2 | 153.9 | -44.1 | 40.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 636 | H | 50.4 | Low | 47 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | cis | -172.2 | 113.1 | -26.9 | -93.5 | -24.4 | 0 | 0 | 0 | 111.8 | | |
| 637 | G | 43.6 | Very low | 47 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 74 | -162.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 638 | P | 56.8 | Low | 47.4 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | cis | -138.7 | 161.3 | -12 | 40.7 | -25.3 | 0 | 0 | 0 | 116.1 | | |
| 639 | K | 45.8 | Very low | 47.9 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -173.1 | 119.2 | 136.7 | -106.7 | 159.9 | -173.2 | 172.7 | 0 | 115.4 | | |
| 640 | K | 49 | Very low | 48 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | 58.6 | 101 | 151.8 | -61.7 | -167.1 | 174.4 | -171 | 0 | 121 | | |
| 641 | S | 43.6 | Very low | 48.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -75.9 | -171.8 | 151.9 | 57.4 | 0 | 0 | 0 | 0 | 111 | | |
| 642 | S | 47 | Very low | 48.3 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | cis | -158 | 171.8 | 34.1 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 643 | P | 52.8 | Low | 48.5 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -130.2 | -174.6 | -168.2 | 35.2 | -13.7 | 0 | 0 | 0 | 116.9 | | |
| 644 | T | 44.8 | Very low | 47.9 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 90.9 | 136.3 | 148.4 | -31.6 | 0 | 0 | 0 | 0 | 121 | | |
| 645 | T | 44.6 | Very low | 47.6 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | 121.5 | 140.2 | 135.6 | -30.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 646 | A | 44.3 | Very low | 47.2 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | trans | 80.2 | 101.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 647 | R | 43.9 | Very low | 47.1 | Very low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | | | | 36.2 | 161 | 127 | -78.8 | -167.6 | 79.7 | 152.2 | -0.1 | 123.6 | | |
| 648 | P | 54.5 | Low | 47.3 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -127.2 | 173.4 | -147.8 | 44.5 | -31.8 | 0 | 0 | 0 | 116.5 | | |
| 649 | E | 49.2 | Very low | 47 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -162.8 | 108.3 | 144.4 | -104.1 | 164 | -158.4 | 0 | 0 | 108 | | |
| 650 | T | 47.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | | 71.4 | 132 | 89.1 | 61.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 651 | T | 51.5 | Low | 47.1 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | | | trans | 77.8 | 127.3 | 161.7 | -26.8 | 0 | 0 | 0 | 0 | 117 | | |
| 652 | G | 44.9 | Very low | 47.5 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | | | cis | 166.4 | 174.4 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 653 | K | 49.2 | Very low | 47.6 | Very low | 207 Ų | 207 | 131.4 Ų | 131.4 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | | | trans | 51 | 88.7 | 156.1 | -61.3 | -179.3 | -178.4 | 175.6 | 0 | 119.1 | | |
| 654 | G | 41.9 | Very low | 48 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 92% | 0.918 | 81% | 0.81 | S | S | * | * | | | | 31.4 | 148.9 | 123.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 655 | G | 43 | Very low | 48.4 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -168.7 | 104.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 656 | S | 43.6 | Very low | 49.3 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | | | trans | -88 | 127.2 | 175.3 | -48.8 | 0 | 0 | 0 | 0 | 111 | | |
| 657 | S | 47.4 | Very low | 50.1 | Low | 123 Ų | 123 | 135.4 Ų | 135.4 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | | | trans | -166 | 144.2 | 144.5 | 44.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 658 | S | 47.8 | Very low | 50.4 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | | | trans | -72.4 | 160.4 | 169 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 659 | K | 50.9 | Low | 50.2 | Low | 202 Ų | 202 | 131.5 Ų | 131.5 | 88% | 0.878 | 85% | 0.852 | S | S | * | * | | | | 165.8 | 158.8 | 105.6 | -173.4 | 169.6 | -179.8 | -175.1 | 0 | 112.4 | | |
| 660 | A | 47.9 | Very low | 50.2 | Low | 83 Ų | 83 | 128.9 Ų | 128.9 | 69% | 0.686 | 85% | 0.853 | S | S | * | * | | | trans | 71 | 122.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 661 | T | 49.7 | Very low | 50.4 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 86% | 0.863 | S | S | * | * | | | cis | 77.7 | 98.8 | 33.2 | -47.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 662 | Q | 50.6 | Low | 50.3 | Low | 201 Ų | 201 | 129.2 Ų | 129.2 | 94% | 0.939 | 86% | 0.863 | S | S | * | * | | | trans | -145.4 | 143.6 | 140.4 | -107.6 | 172.9 | 4.5 | 0 | 0 | 108.6 | | |
| 663 | S | 48.9 | Very low | 50.7 | Low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 88% | 0.876 | S | S | * | * | | | trans | -127.1 | 130.3 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 664 | T | 62.2 | Low | 50.8 | Low | 142 Ų | 142 | 128.2 Ų | 128.2 | 87% | 0.871 | 87% | 0.874 | S | S | * | * | | | trans | -121.8 | 111.2 | 165.7 | 48.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 665 | G | 53.3 | Low | 51.5 | Low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 87% | 0.871 | S | S | * | * | | | trans | -78 | 160.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 666 | S | 63.1 | Low | 52.2 | Low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 88% | 0.875 | S | S | * | * | | | trans | -119 | 157.8 | 168.5 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 667 | S | 60.6 | Low | 52.9 | Low | 194 Ų | 194 | 136.4 Ų | 136.4 | 100% | 1.357 | 87% | 0.874 | S | S | * | * | | | trans | -25.1 | 0 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 116.6 | | |