| 1 | M | 54.1 | Low | 63.2 | Low | 253 Ų | 253 | 146.3 Ų | 146.3 | 100% | 1.246 | 81% | 0.813 | S | S | * | * | | | | 0 | 100.5 | 0 | -142.5 | 144.5 | 169 | 0 | 0 | 107 | | |
| 2 | G | 66.1 | Low | 62.4 | Low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 130.6 | -175 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 3 | Y | 61.6 | Low | 61.9 | Low | 195 Ų | 195 | 148.4 Ų | 148.4 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139 | 172 | 57.4 | -87.6 | 0 | 0 | 0 | 109.4 | R5 | Y3-R5 PolarHBondContact O-N 3.21Š|
| 4 | A | 65.7 | Low | 60.9 | Low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 5 | R | 65.3 | Low | 60.7 | Low | 210 Ų | 210 | 143.1 Ų | 143.1 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 132.9 | 170.6 | -76.4 | -177.5 | -179.7 | -108.7 | 0.5 | 107.8 | Y3 G7 | Y3-R5 PolarHBondContact O-N 3.21Å; R5-G7 PolarHBondContact O-N 3Å |
| 6 | P | 66.4 | Low | 60.3 | Low | 124 Ų | 124 | 149.6 Ų | 149.6 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 118.2 | 173.1 | -20.5 | 30.5 | 0 | 0 | 0 | 108 | | |
| 7 | G | 67.8 | Low | 59.9 | Low | 57 Ų | 57 | 145.5 Ų | 145.5 | 59% | 0.588 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 151.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R5 | R5-G7 PolarHBondContact O-N 3Š|
| 8 | P | 65.9 | Low | 59.7 | Low | 114 Ų | 114 | 141.6 Ų | 141.6 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 145.6 | 177.3 | 22 | -32.3 | 0 | 0 | 0 | 109.7 | R10 | P8-R10 PolarHBondContact O-N 3.03Š|
| 9 | P | 65.9 | Low | 59 | Low | 115 Ų | 115 | 147.2 Ų | 147.2 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 122.4 | -176.9 | 22.2 | -32.1 | 0 | 0 | 0 | 108 | V11 | P9-V11 PolarHBondContact O-N 2.74Š|
| 10 | R | 62 | Low | 58.4 | Low | 246 Ų | 246 | 144.1 Ų | 144.1 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | | | trans | -68.8 | 84.8 | 171.9 | -61.9 | -162.8 | -168.3 | -134 | 5.8 | 106.1 | P8 R12 | P8-R10 PolarHBondContact O-N 3.03Å; R10-R12 VanDerWaalsContact C-N 3.28Å; R10-R12 PolarHBondContact O-N 2.89Å |
| 11 | V | 54.8 | Low | 57.7 | Low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 82% | 0.816 | S | S | * | * | | | trans | -53.4 | 105.4 | 162.2 | 179.1 | 0 | 0 | 0 | 0 | 103.6 | P9 A13 | P9-V11 PolarHBondContact O-N 2.74Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 2.85Å |
| 12 | R | 53.6 | Low | 57.7 | Low | 227 Ų | 227 | 132.8 Ų | 132.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -51.7 | 113.2 | 163.6 | -85.9 | -178.6 | 168.9 | -130.6 | -0.6 | 103 | R10 C14 | R10-R12 VanDerWaalsContact C-N 3.28Å; R10-R12 PolarHBondContact O-N 2.89Å; R12-C14 PolarHBondContact O-N 2.67Å |
| 13 | A | 55.4 | Low | 57 | Low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -54.2 | 97.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 104.4 | V11 A15 | V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 2.85Å; A13-A15 PolarHBondContact O-N 2.6Å |
| 14 | C | 48.6 | Very low | 56.2 | Low | 110 Ų | 110 | 138.9 Ų | 138.9 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | trans | -47.2 | 117.6 | 160.8 | -65.2 | 0 | 0 | 0 | 0 | 102.6 | R12 R16 | R12-C14 PolarHBondContact O-N 2.67Å; C14-R16 PolarHBondContact O-N 2.96Å |
| 15 | A | 56.9 | Low | 55.7 | Low | 108 Ų | 108 | 140.3 Ų | 140.3 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | trans | -56.8 | 86.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | A13 | A13-A15 PolarHBondContact O-N 2.6Š|
| 16 | R | 54.9 | Low | 54.9 | Low | 246 Ų | 246 | 136.8 Ų | 136.8 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | | | trans | -112.6 | 83.2 | 177.1 | 178.8 | 170.6 | -88.9 | -145 | -4.7 | 104.5 | C14 | C14-R16 PolarHBondContact O-N 2.96Š|
| 17 | G | 52.5 | Low | 54.1 | Low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 143.8 | 63.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 18 | G | 56.3 | Low | 53.3 | Low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | -179 | 34.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 19 | R | 47.2 | Very low | 52.7 | Low | 249 Ų | 249 | 139.3 Ų | 139.3 | 94% | 0.94 | 78% | 0.783 | S | S | * | * | | | trans | -145.9 | 104.2 | 157.3 | -111.4 | 174.3 | -176.1 | -154.5 | -1.1 | 108.4 | | |
| 20 | G | 47.8 | Very low | 52.3 | Low | 84 Ų | 84 | 142.6 Ų | 142.6 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -59.3 | 158.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 21 | G | 43.7 | Very low | 52 | Low | 58 Ų | 58 | 139.2 Ų | 139.2 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | | | trans | 159.5 | 53.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R23 | G21-R23 WeakPolarHBondContact O-CB 3.5Å; G21-R23 PolarHBondContact O-N 3.07Å; G21-R23 WeakPolarHBondContact O-CG 3.49Å; G21-R23 VanDerWaalsContact C-N 3.29Å |
| 22 | A | 53 | Low | 52.1 | Low | 103 Ų | 103 | 141.5 Ų | 141.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 46.4 | 26.1 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 23 | R | 51.6 | Low | 52.2 | Low | 205 Ų | 205 | 136 Ų | 136 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | | | trans | -142.7 | -9 | -171 | -58.5 | -179 | -167.2 | -94.8 | -0.6 | 116.4 | G21 F26 | G21-R23 WeakPolarHBondContact O-CB 3.5Å; G21-R23 PolarHBondContact O-N 3.07Å; G21-R23 WeakPolarHBondContact O-CG 3.49Å; G21-R23 VanDerWaalsContact C-N 3.29Å; R23-F26 WeakPolarHBondContact O-CB 3.37Å |
| 24 | E | 45.3 | Very low | 52.1 | Low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -87.4 | -12.4 | 177.2 | -61.1 | -164.4 | 100.2 | 0 | 0 | 113.2 | F26 | E24-F26 PolarHBondContact O-N 3.25Š|
| 25 | D | 54.1 | Low | 52.5 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -76.2 | 3.2 | 166.1 | -78.1 | -74.5 | 0 | 0 | 0 | 114.2 | G27 A28 R29 | D25-G27 PolarHBondContact O-N 3.29Å; D25-A28 PolarHBondContact O-N 3.23Å; D25-A28 VanDerWaalsContact O-N 3.07Å; D25-R29 PolarHBondContact O-N 2.77Å |
| 26 | F | 49.4 | Very low | 52.4 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 60% | 0.596 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -69.2 | -14.3 | 175.2 | -130.2 | -109 | 0 | 0 | 0 | 113.1 | R23 E24 | R23-F26 WeakPolarHBondContact O-CB 3.37Å; E24-F26 PolarHBondContact O-N 3.25Å |
| 27 | G | 49.5 | Very low | 52.3 | Low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -85.2 | -20.4 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | D25 | D25-G27 PolarHBondContact O-N 3.29Š|
| 28 | A | 51.8 | Low | 52.2 | Low | 62 Ų | 62 | 133.3 Ų | 133.3 | 51% | 0.512 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | -23.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D25 | D25-A28 PolarHBondContact O-N 3.23Å; D25-A28 VanDerWaalsContact O-N 3.07Å |
| 29 | R | 52.1 | Low | 51.9 | Low | 216 Ų | 216 | 136.5 Ų | 136.5 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -105.6 | 19.4 | -176.4 | -149.9 | -177.2 | -178.4 | -87.1 | 2.5 | 115.5 | D25 | D25-R29 PolarHBondContact O-N 2.77Š|
| 30 | R | 57.3 | Low | 52 | Low | 184 Ų | 184 | 127.7 Ų | 127.7 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | | | trans | -117 | 51.9 | 172.5 | -71.6 | -176.7 | 173.1 | -159.3 | -7.4 | 112 | | |
| 31 | K | 55.7 | Low | 52.1 | Low | 175 Ų | 175 | 128.7 Ų | 128.7 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.8 | -8.3 | 162.3 | -41.8 | -158.8 | -171.9 | -167.8 | 0 | 112.2 | | |
| 32 | H | 57.8 | Low | 52.3 | Low | 171 Ų | 171 | 130.5 Ų | 130.5 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -111.6 | 90.6 | 173.9 | -56.7 | 135.7 | 0 | 0 | 0 | 108.5 | | |
| 33 | V | 54.8 | Low | 52.1 | Low | 112 Ų | 112 | 129 Ų | 129 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | | | | 171.8 | 74.5 | 127.5 | -179.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 34 | R | 54 | Low | 51.7 | Low | 257 Ų | 257 | 127.1 Ų | 127.1 | 97% | 0.97 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -105.3 | 51.6 | 139.8 | -73.5 | -173.2 | -178.6 | -177.7 | 0.3 | 106.8 | | |
| 35 | G | 55.9 | Low | 51.8 | Low | 45 Ų | 45 | 123.1 Ų | 123.1 | 46% | 0.464 | 68% | 0.679 | S | S | . | * | | | trans | -126.1 | 20.5 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 36 | L | 55.7 | Low | 51.5 | Low | 142 Ų | 142 | 119.8 Ų | 119.8 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -143.9 | 17.4 | 173.1 | -87 | 169.5 | 0 | 0 | 0 | 112.7 | | |
| 37 | G | 52.5 | Low | 51.1 | Low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -108.6 | -21.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 38 | A | 51.8 | Low | 50.9 | Low | 76 Ų | 76 | 125.4 Ų | 125.4 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -115.3 | -8.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 39 | L | 49.1 | Very low | 50.9 | Low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -100.7 | -9.2 | 175.8 | -75.4 | 170.3 | 0 | 0 | 0 | 113.7 | | |
| 40 | A | 49.8 | Very low | 50.9 | Low | 65 Ų | 65 | 119.7 Ų | 119.7 | 54% | 0.537 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -86.7 | -5.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 41 | V | 49.5 | Very low | 50.3 | Low | 105 Ų | 105 | 114.5 Ų | 114.5 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -107 | 9.4 | -177 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 42 | C | 48.4 | Very low | 49.9 | Very low | 96 Ų | 96 | 109.6 Ų | 109.6 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -112.6 | -17 | 169.9 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 43 | A | 48.8 | Very low | 49.4 | Very low | 71 Ų | 71 | 108.6 Ų | 108.6 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -84.4 | -20 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R47 | A43-R47 PolarHBondContact O-N 3.34Å |
| 44 | E | 43 | Very low | 49 | Very low | 165 Ų | 165 | 107.4 Ų | 107.4 | 77% | 0.771 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -79.7 | -28.1 | 177.7 | -159.4 | 167.9 | 98.9 | 0 | 0 | 112.4 | | |
| 45 | V | 46.8 | Very low | 48.4 | Very low | 114 Ų | 114 | 102.6 Ų | 102.6 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -75.3 | -31.5 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 46 | G | 46.8 | Very low | 48 | Very low | 53 Ų | 53 | 105.5 Ų | 105.5 | 55% | 0.546 | 76% | 0.758 | S | S | . | * | H | α-helix | trans | -80.9 | -26.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A48 A49 | G46-A48 VanDerWaalsContact C-N 3.29Å; G46-A49 PolarHBondContact O-N 3.43Å |
| 47 | R | 42.3 | Very low | 47.6 | Very low | 231 Ų | 231 | 103.5 Ų | 103.5 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -81.4 | -6.9 | 175.6 | -168.1 | 155.8 | 175.9 | 123.6 | -2.8 | 113.4 | A43 | A43-R47 PolarHBondContact O-N 3.34Å |
| 48 | A | 45.6 | Very low | 47.3 | Very low | 91 Ų | 91 | 105.8 Ų | 105.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -11.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G46 | G46-A48 VanDerWaalsContact C-N 3.29Š|
| 49 | A | 51.8 | Low | 47 | Very low | 89 Ų | 89 | 107.6 Ų | 107.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -102.5 | 14.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | G46 | G46-A49 PolarHBondContact O-N 3.43Š|
| 50 | G | 52.3 | Low | 46.9 | Very low | 70 Ų | 70 | 105.6 Ų | 105.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -146.7 | 73.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 51 | G | 43.4 | Very low | 46.7 | Very low | 74 Ų | 74 | 108.3 Ų | 108.3 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 160.2 | 89.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 52 | G | 47.6 | Very low | 46.5 | Very low | 72 Ų | 72 | 108.5 Ų | 108.5 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 66.8 | 152.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 53 | V | 47.9 | Very low | 46.4 | Very low | 150 Ų | 150 | 109.5 Ų | 109.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | cis | -170.5 | 146.1 | 20.7 | -106.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 54 | G | 46.4 | Very low | 46.2 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | | | trans | 83.8 | 104.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 55 | G | 40.2 | Very low | 46.5 | Very low | 155 Ų | 155 | 107.9 Ų | 107.9 | 100% | 1.598 | 84% | 0.84 | S | S | * | * | | | trans | -155.9 | 0 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |