| 1 | M | 46.5 | Very low | 50 | Low | 250 Ų | 250 | 133.4 Ų | 133.4 | 100% | 1.232 | 78% | 0.778 | S | S | * | * | | | | 0 | 116.2 | 0 | -84.1 | 156.7 | 163.6 | 0 | 0 | 108 | | |
| 2 | N | 51.4 | Low | 50.1 | Low | 84 Ų | 84 | 134.3 Ų | 134.3 | 45% | 0.449 | 79% | 0.787 | S | S | . | * | | | trans | -97.3 | 125.5 | -170.4 | 176.9 | -6.9 | 0 | 0 | 0 | 109.1 | N4 Y5 | N2-N4 VanDerWaalsContact OD1-CB 3.29Å; N2-N4 PolarHBondContact O-N 2.77Å; N2-N4 PolarHBondContact OD1-ND2 3.28Å; N2-N4 WeakPolarHBondContact OD1-CB 3.29Å; N2-N4 PolarHBondContact OD1-N 3.01Å; N2-Y5 HydrophobicContact CB-CD2 4.14Å; N2-Y5 PolarHBondContact O-N 3.27Å |
| 3 | P | 54.9 | Low | 50 | Low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -64.2 | -9.6 | -179.4 | 25.2 | -33.1 | 0 | 0 | 0 | 114.1 | Y5 | P3-Y5 PolarHBondContact O-N 3.06Š|
| 4 | N | 57.6 | Low | 49.6 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -77.1 | 6 | 175.1 | -62.8 | -63.5 | 0 | 0 | 0 | 114.5 | N2 | N2-N4 VanDerWaalsContact OD1-CB 3.29Å; N2-N4 PolarHBondContact O-N 2.77Å; N2-N4 PolarHBondContact OD1-ND2 3.28Å; N2-N4 WeakPolarHBondContact OD1-CB 3.29Å; N2-N4 PolarHBondContact OD1-N 3.01Å |
| 5 | Y | 54.1 | Low | 49 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -89.3 | 2.4 | -173.2 | -107.3 | -95.8 | 0 | 0 | 0 | 116.1 | N2 P3 | N2-Y5 HydrophobicContact CB-CD2 4.14Å; N2-Y5 PolarHBondContact O-N 3.27Å; P3-Y5 PolarHBondContact O-N 3.06Å |
| 6 | Y | 45.3 | Very low | 49 | Very low | 216 Ų | 216 | 132.4 Ų | 132.4 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -118.3 | 93.8 | -179.9 | -73.8 | -84.4 | 0 | 0 | 0 | 111.7 | G8 | Y6-G8 PolarHBondContact O-N 3.16Š|
| 7 | G | 44 | Very low | 48.3 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 54.4 | 38.8 | 141 | 0 | 0 | 0 | 0 | 0 | 118.5 | V9 | G7-V9 PolarHBondContact O-N 3.05Å; G7-V9 VanDerWaalsContact O-N 3.16Å |
| 8 | G | 48.8 | Very low | 48.3 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -65.7 | 109.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y6 | Y6-G8 PolarHBondContact O-N 3.16Š|
| 9 | V | 53.1 | Low | 48.2 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -38 | 126.3 | 174.9 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | G7 | G7-V9 PolarHBondContact O-N 3.05Å; G7-V9 VanDerWaalsContact O-N 3.16Å |
| 10 | P | 47.6 | Very low | 48 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -81.8 | 122.3 | 177.9 | 15.6 | -4.7 | 0 | 0 | 0 | 111.6 | | |
| 11 | G | 46.6 | Very low | 47.9 | Very low | 55 Ų | 55 | 134 Ų | 134 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | | | trans | 93.8 | 102.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 12 | T | 51.7 | Low | 48 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | | -152.4 | 78.6 | 129.3 | 25.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 13 | F | 48.4 | Very low | 48.1 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | 24.6 | 109.8 | 138 | -73.1 | -93.7 | 0 | 0 | 0 | 117.8 | | |
| 14 | G | 44.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | 91.8 | 104.6 | 132.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 15 | G | 41.3 | Very low | 47.4 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | 117.1 | 102.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 16 | N | 48.5 | Very low | 47.3 | Very low | 160 Ų | 160 | 133 Ų | 133 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | 69 | 96.6 | 156.6 | -53 | -53.1 | 0 | 0 | 0 | 115 | | |
| 17 | G | 36.9 | Very low | 47.6 | Very low | 61 Ų | 61 | 130.7 Ų | 130.7 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | cis | 72.5 | 43.8 | 39.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 18 | M | 49.3 | Very low | 47.8 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | | | trans | -140 | 95.2 | 160.2 | -72.3 | -166.8 | 148.3 | 0 | 0 | 112.5 | | |
| 19 | Y | 45.3 | Very low | 47.6 | Very low | 213 Ų | 213 | 131.1 Ų | 131.1 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | 20.1 | 108.8 | 132.3 | -38.2 | -79.9 | 0 | 0 | 0 | 114.1 | | |
| 20 | G | 44.1 | Very low | 47.6 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | | 97.1 | 129.9 | 76.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 21 | Q | 45.5 | Very low | 47.8 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | | | trans | 70.5 | 78.2 | 157.3 | -43.6 | -165.8 | 43.8 | 0 | 0 | 117.4 | | |
| 22 | N | 49 | Very low | 48 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | trans | -169.4 | 21.9 | 142.1 | -107 | -21.5 | 0 | 0 | 0 | 116.3 | Y24 N25 | N22-Y24 VanDerWaalsContact C-N 3.25Å; N22-Y24 PolarHBondContact O-N 3.38Å; N22-N25 VanDerWaalsContact OD1-CB 3.32Å; N22-N25 WeakPolarHBondContact OD1-CB 3.32Å |
| 23 | I | 53.4 | Low | 47.9 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -19.1 | -175.6 | -48.1 | -176.2 | 0 | 0 | 0 | 112.1 | | |
| 24 | Y | 48.8 | Very low | 48.1 | Very low | 222 Ų | 222 | 128.2 Ų | 128.2 | 87% | 0.871 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 2.5 | -178.9 | -69.1 | -78.6 | 0 | 0 | 0 | 115.3 | N22 | N22-Y24 VanDerWaalsContact C-N 3.25Å; N22-Y24 PolarHBondContact O-N 3.38Å |
| 25 | N | 50.6 | Low | 48.5 | Very low | 129 Ų | 129 | 127 Ų | 127 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | | | trans | -102.6 | 9.7 | 175.7 | -116.5 | 35.9 | 0 | 0 | 0 | 113.3 | N22 Q27 | N22-N25 VanDerWaalsContact OD1-CB 3.32Å; N22-N25 WeakPolarHBondContact OD1-CB 3.32Å; N25-Q27 PolarHBondContact O-N 3.36Å |
| 26 | Q | 51.3 | Low | 49 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | | | trans | -78.8 | 64.7 | 168.4 | -64.5 | -170.5 | 86.1 | 0 | 0 | 109.3 | P28 | Q26-P28 WeakPolarHBondContact O-CD 3.15Š|
| 27 | Q | 52.3 | Low | 49.1 | Very low | 166 Ų | 166 | 126 Ų | 126 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | | | trans | -57.4 | 129.8 | 154.5 | -63 | -147.4 | -32.5 | 0 | 0 | 106 | N25 G29 | N25-Q27 PolarHBondContact O-N 3.36Å; Q27-G29 PolarHBondContact O-N 3.4Å |
| 28 | P | 48.2 | Very low | 50 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | | | trans | -66.6 | 76.6 | 167.9 | 26.5 | -30.5 | 0 | 0 | 0 | 107.1 | Q26 S30 | Q26-P28 WeakPolarHBondContact O-CD 3.15Å; P28-S30 PolarHBondContact O-N 3.42Å |
| 29 | G | 44.2 | Very low | 50.1 | Low | 44 Ų | 44 | 132.7 Ų | 132.7 | 45% | 0.454 | 68% | 0.681 | S | S | . | * | | | trans | -70.7 | 97.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q27 Q31 | Q27-G29 PolarHBondContact O-N 3.4Å; G29-Q31 WeakPolarHBondContact O-CB 3.43Å; G29-Q31 PolarHBondContact O-N 2.99Å |
| 30 | S | 52.7 | Low | 50.5 | Low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 47.5 | 0.2 | 160 | 60.1 | 0 | 0 | 0 | 0 | 119.1 | P28 | P28-S30 PolarHBondContact O-N 3.42Š|
| 31 | Q | 51.1 | Low | 50.6 | Low | 163 Ų | 163 | 133.7 Ų | 133.7 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -86.6 | -22.9 | -175.7 | -154.3 | 168.3 | -41.2 | 0 | 0 | 110.4 | G29 N34 A35 | G29-Q31 WeakPolarHBondContact O-CB 3.43Å; G29-Q31 PolarHBondContact O-N 2.99Å; Q31-N34 PolarHBondContact O-N 3.39Å; Q31-A35 PolarHBondContact O-N 3.31Å |
| 32 | A | 50.8 | Low | 50.6 | Low | 72 Ų | 72 | 127.7 Ų | 127.7 | 60% | 0.595 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.9 | -31.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N34 A35 | A32-N34 VanDerWaalsContact C-N 3.3Å; A32-N34 PolarHBondContact O-N 2.98Å; A32-A35 PolarHBondContact O-N 2.85Å |
| 33 | W | 49.8 | Very low | 50.4 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 65% | 0.648 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68 | -31.6 | 175.1 | 175.5 | -105.4 | 0 | 0 | 0 | 112.5 | R37 | W33-R37 VanDerWaalsContact CE2-NH2 3.29Å; W33-R37 VanDerWaalsContact NE1-NH2 3.16Å |
| 34 | N | 53 | Low | 50 | Low | 90 Ų | 90 | 128.7 Ų | 128.7 | 48% | 0.481 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -82.8 | -17 | 178.5 | -78 | -43.6 | 0 | 0 | 0 | 113.5 | Q31 A32 R38 | Q31-N34 PolarHBondContact O-N 3.39Å; A32-N34 VanDerWaalsContact C-N 3.3Å; A32-N34 PolarHBondContact O-N 2.98Å; N34-R38 WeakPolarHBondContact O-CG 3.36Å |
| 35 | A | 52.5 | Low | 50 | Low | 57 Ų | 57 | 122.7 Ų | 122.7 | 47% | 0.471 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -76.3 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q31 A32 | Q31-A35 PolarHBondContact O-N 3.31Å; A32-A35 PolarHBondContact O-N 2.85Å |
| 36 | G | 51.5 | Low | 50 | Low | 46 Ų | 46 | 123.7 Ų | 123.7 | 47% | 0.474 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -77.1 | -25.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 37 | R | 51.4 | Low | 49.9 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 60% | 0.596 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78.5 | -20.2 | 178.7 | -81.2 | -165.1 | -161 | 178.3 | 0.9 | 114.6 | W33 H39 | W33-R37 VanDerWaalsContact CE2-NH2 3.29Å; W33-R37 VanDerWaalsContact NE1-NH2 3.16Å; R37-H39 PolarHBondContact O-N 2.69Å |
| 38 | R | 55.5 | Low | 49.8 | Very low | 202 Ų | 202 | 119.9 Ų | 119.9 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -73.2 | -13.6 | -179.3 | -70 | 179.3 | -179.2 | -165.9 | -1 | 112.8 | N34 | N34-R38 WeakPolarHBondContact O-CG 3.36Š|
| 39 | H | 52.3 | Low | 50.1 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -103.1 | 4.6 | -170.9 | -73.2 | -148.1 | 0 | 0 | 0 | 114.2 | R37 | R37-H39 PolarHBondContact O-N 2.69Š|
| 40 | L | 53.2 | Low | 50.5 | Low | 136 Ų | 136 | 123 Ų | 123 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -113.8 | -11 | -171.6 | -76 | 157.9 | 0 | 0 | 0 | 115.1 | | |
| 41 | N | 46.3 | Very low | 50.5 | Low | 164 Ų | 164 | 125.5 Ų | 125.5 | 88% | 0.877 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -151.3 | 51.7 | -173.5 | -75.7 | -40.6 | 0 | 0 | 0 | 112.9 | | |
| 42 | G | 44.2 | Very low | 50.5 | Low | 64 Ų | 64 | 124.7 Ų | 124.7 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | | | trans | -159.2 | 104.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D44 | G42-D44 PolarHBondContact O-N 2.93Š|
| 43 | S | 45.6 | Very low | 50.7 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | | | trans | -44.8 | 134.3 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 112.4 | S45 | S43-S45 VanDerWaalsContact O-N 3.12Å; S43-S45 PolarHBondContact O-N 2.94Å |
| 44 | D | 44.3 | Very low | 50.5 | Low | 162 Ų | 162 | 129.8 Ų | 129.8 | 87% | 0.866 | 70% | 0.696 | S | S | * | * | | | trans | -32.2 | 111.5 | 162.2 | -101.7 | -32.9 | 0 | 0 | 0 | 111.4 | G42 | G42-D44 PolarHBondContact O-N 2.93Š|
| 45 | S | 48.4 | Very low | 50.3 | Low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | | | trans | -143.1 | 94 | 164.1 | -64.8 | 0 | 0 | 0 | 0 | 106 | S43 D47 | S43-S45 VanDerWaalsContact O-N 3.12Å; S43-S45 PolarHBondContact O-N 2.94Å; S45-D47 PolarHBondContact O-N 3.49Å |
| 46 | D | 52 | Low | 49.7 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | | | trans | -64 | 70.2 | 178.7 | -126.4 | -13 | 0 | 0 | 0 | 110.5 | S48 | D46-S48 PolarHBondContact O-N 3Å; D46-S48 PolarHBondContact O-OG 2.66Å |
| 47 | D | 49.8 | Very low | 49.2 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | -80.6 | 75 | 172.1 | -83 | -27.6 | 0 | 0 | 0 | 109.6 | S45 D49 | S45-D47 PolarHBondContact O-N 3.49Å; D47-D49 PolarHBondContact O-N 2.82Å |
| 48 | S | 50.2 | Low | 48.9 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -73.7 | 35.2 | 175.1 | 38 | 0 | 0 | 0 | 0 | 113.4 | D46 | D46-S48 PolarHBondContact O-N 3Å; D46-S48 PolarHBondContact O-OG 2.66Å |
| 49 | D | 52.9 | Low | 48.4 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 51% | 0.508 | 76% | 0.758 | S | S | . | * | | | trans | -100.4 | 26.7 | 179.8 | -104.1 | 12.9 | 0 | 0 | 0 | 113.2 | D47 D51 K52 | D47-D49 PolarHBondContact O-N 2.82Å; D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 3.45Å; D49-K52 WeakPolarHBondContact OD1-CE 3.49Å; D49-K52 IonicContact OD1-NZ 2.69Å; D49-K52 PolarHBondContact OD1-NZ 2.6Å; D49-K52 IonicContact OD2-NZ 2.85Å; D49-K52 PolarHBondContact OD2-NZ 3.35Å |
| 50 | I | 54.2 | Low | 48.1 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -16.6 | -179.9 | -86.6 | 171.1 | 0 | 0 | 0 | 113.6 | | |
| 51 | D | 52.8 | Low | 47.6 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -0 | -174.3 | -90 | -31.1 | 0 | 0 | 0 | 116.7 | D49 R53 | D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 3.45Å; D51-R53 PolarHBondContact O-N 3.29Å |
| 52 | K | 49.1 | Very low | 47.4 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 64% | 0.635 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -90 | 6.5 | -169.7 | -65.7 | -178.7 | -173.5 | 161.5 | 0 | 116.1 | D49 | D49-K52 WeakPolarHBondContact OD1-CE 3.49Å; D49-K52 IonicContact OD1-NZ 2.69Å; D49-K52 PolarHBondContact OD1-NZ 2.6Å; D49-K52 IonicContact OD2-NZ 2.85Å; D49-K52 PolarHBondContact OD2-NZ 3.35Å |
| 53 | R | 55.1 | Low | 47.8 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -109.8 | 7.4 | -163.6 | -73 | -174.3 | -75.1 | 174.6 | -4.5 | 118 | D51 | D51-R53 PolarHBondContact O-N 3.29Š|
| 54 | N | 47.3 | Very low | 47.7 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -119.7 | 5.5 | -175.2 | -74.9 | -24.8 | 0 | 0 | 0 | 118.1 | R56 | N54-R56 PolarHBondContact O-N 2.94Š|
| 55 | F | 47.8 | Very low | 47.8 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | | | trans | -101.4 | 79.5 | 176.5 | -72.7 | -82.4 | 0 | 0 | 0 | 112.7 | G57 | F55-G57 PolarHBondContact O-N 3.12Š|
| 56 | R | 40.1 | Very low | 47.8 | Very low | 254 Ų | 254 | 144.5 Ų | 144.5 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | | | trans | -69.8 | 110.5 | 160.5 | -176.3 | -178.4 | -172.9 | -171.5 | 2.1 | 108.4 | N54 | N54-R56 PolarHBondContact O-N 2.94Š|
| 57 | G | 40.2 | Very low | 47.9 | Very low | 59 Ų | 59 | 146.3 Ų | 146.3 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 102.1 | 131.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F55 | F55-G57 PolarHBondContact O-N 3.12Š|
| 58 | S | 45.8 | Very low | 47.6 | Very low | 128 Ų | 128 | 143 Ų | 143 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | | | trans | 87.7 | 52.7 | 172.5 | -38.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 59 | G | 44.2 | Very low | 47.6 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | -84.4 | 126.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110 | G61 | G59-G61 PolarHBondContact O-N 3.35Š|
| 60 | P | 47.2 | Very low | 47.7 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -67.4 | 121.6 | 158.5 | 30.3 | -28.2 | 0 | 0 | 0 | 105.5 | | |
| 61 | G | 42.1 | Very low | 47.5 | Very low | 47 Ų | 47 | 145.8 Ų | 145.8 | 49% | 0.485 | 78% | 0.783 | S | S | . | * | | | | 83.9 | 107.3 | 70.8 | 0 | 0 | 0 | 0 | 0 | 108 | G59 | G59-G61 PolarHBondContact O-N 3.35Š|
| 62 | W | 43.1 | Very low | 47.2 | Very low | 236 Ų | 236 | 145.8 Ų | 145.8 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | trans | 106.9 | 126.7 | 146.4 | -36.2 | -20.9 | 0 | 0 | 0 | 115.3 | | |
| 63 | N | 52.1 | Low | 47.5 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | 91.7 | 79.9 | 162 | -53.7 | -28.2 | 0 | 0 | 0 | 117.4 | G65 | N63-G65 PolarHBondContact O-N 3.38Š|
| 64 | Q | 43.2 | Very low | 47.7 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -22.6 | 98.1 | 134.5 | -77 | 174.8 | -21.9 | 0 | 0 | 112.6 | | |
| 65 | G | 45.5 | Very low | 48 | Very low | 69 Ų | 69 | 146.6 Ų | 146.6 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -110.9 | 73.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N63 H67 | N63-G65 PolarHBondContact O-N 3.38Å; G65-H67 VanDerWaalsContact C-N 3.34Å; G65-H67 PolarHBondContact O-N 3.49Å |
| 66 | R | 49.8 | Very low | 48.4 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | -65.2 | 89.6 | 166.6 | -71 | 176.2 | 173.4 | -129 | -0.2 | 109 | | |
| 67 | H | 54.5 | Low | 48.9 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | trans | -150.9 | 111.9 | 161.1 | -73.1 | 165.6 | 0 | 0 | 0 | 105.5 | G65 | G65-H67 VanDerWaalsContact C-N 3.34Å; G65-H67 PolarHBondContact O-N 3.49Å |
| 68 | G | 42 | Very low | 49.5 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | cis | 84.2 | 59.7 | 33.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 69 | S | 51.2 | Low | 49.9 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 179.7 | 80.8 | 158.3 | -81.6 | 0 | 0 | 0 | 0 | 111.9 | S71 | S69-S71 PolarHBondContact O-N 3Š|
| 70 | H | 54.7 | Low | 50.1 | Low | 190 Ų | 190 | 150.9 Ų | 150.9 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | | | trans | -86.1 | 101.7 | 157.8 | -66.9 | -72.7 | 0 | 0 | 0 | 107.5 | N72 | H70-N72 PolarHBondContact O-N 3.16Å; H70-N72 VanDerWaalsContact O-N 3.16Å |
| 71 | S | 48.8 | Very low | 49.9 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | trans | -75.1 | 100.6 | 175 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | S69 R73 | S69-S71 PolarHBondContact O-N 3Å; S71-R73 PolarHBondContact O-N 3.46Å |
| 72 | N | 46.8 | Very low | 49.9 | Very low | 152 Ų | 152 | 152 Ų | 152 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -62.2 | 98 | 164 | -86.8 | 0.7 | 0 | 0 | 0 | 109.3 | H70 | H70-N72 PolarHBondContact O-N 3.16Å; H70-N72 VanDerWaalsContact O-N 3.16Å |
| 73 | R | 55.7 | Low | 50.1 | Low | 224 Ų | 224 | 145.7 Ų | 145.7 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -119.7 | 75.3 | 160.1 | -68.2 | -168.8 | -155.2 | 163.7 | 7.4 | 109.6 | S71 G75 | S71-R73 PolarHBondContact O-N 3.46Å; R73-G75 PolarHBondContact O-N 3.39Å |
| 74 | R | 59.1 | Low | 49.7 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | | | trans | -72.8 | 78.8 | 153.6 | -70.8 | -178.8 | -169.8 | 179 | 2.3 | 107.2 | H76 | R74-H76 PolarHBondContact O-N 3.01Š|
| 75 | G | 53.4 | Low | 50 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | -85.1 | 91.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R73 S77 | R73-G75 PolarHBondContact O-N 3.39Å; G75-S77 PolarHBondContact O-N 3.44Å |
| 76 | H | 55.9 | Low | 50.3 | Low | 180 Ų | 180 | 148.7 Ų | 148.7 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | | | trans | -82.8 | 102.7 | 163 | -68.4 | -72.5 | 0 | 0 | 0 | 107.5 | R74 | R74-H76 PolarHBondContact O-N 3.01Š|
| 77 | S | 50.6 | Low | 50.1 | Low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -129.4 | 95.5 | 168.8 | 58.7 | 0 | 0 | 0 | 0 | 108.7 | G75 | G75-S77 PolarHBondContact O-N 3.44Š|
| 78 | S | 54 | Low | 50 | Low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -158.3 | 113.6 | 159.4 | 52.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 79 | D | 53.3 | Low | 50.8 | Low | 157 Ų | 157 | 151.3 Ų | 151.3 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | trans | 83.4 | 46.8 | 146.1 | -41 | -32.4 | 0 | 0 | 0 | 119.4 | | |
| 80 | R | 49.5 | Very low | 51 | Low | 257 Ų | 257 | 152.6 Ų | 152.6 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | -119.8 | 100.8 | 154.3 | -73.7 | -171.3 | -176.6 | 171 | 2.1 | 110.9 | | |
| 81 | G | 41.6 | Very low | 51 | Low | 74 Ų | 74 | 155.7 Ų | 155.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | 115.9 | 91.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 82 | S | 44 | Very low | 50.8 | Low | 118 Ų | 118 | 158.5 Ų | 158.5 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -133.5 | 88.5 | 147.2 | -61.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 83 | S | 45.9 | Very low | 51 | Low | 104 Ų | 104 | 161.7 Ų | 161.7 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | | 54.5 | 107.7 | 96.3 | 77.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 84 | S | 43.5 | Very low | 50.8 | Low | 117 Ų | 117 | 166.4 Ų | 166.4 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | | | trans | 70.9 | 87.2 | 141.2 | -44 | 0 | 0 | 0 | 0 | 118 | | |
| 85 | D | 49.8 | Very low | 50.4 | Low | 164 Ų | 164 | 163.5 Ų | 163.5 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | | | trans | -128.8 | 115.5 | 149.2 | -140.4 | -61.3 | 0 | 0 | 0 | 109.7 | G87 | D85-G87 PolarHBondContact O-N 3.37Š|
| 86 | E | 51.4 | Low | 50.3 | Low | 194 Ų | 194 | 168.6 Ų | 168.6 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | | | trans | -69.3 | 111.3 | -176.8 | -71.1 | 167.5 | 114.7 | 0 | 0 | 110.1 | | |
| 87 | G | 46.8 | Very low | 50 | Low | 68 Ų | 68 | 168 Ų | 168 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | | | trans | -155.8 | 19.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | D85 R89 | D85-G87 PolarHBondContact O-N 3.37Å; G87-R89 VanDerWaalsContact C-N 3.3Å; G87-R89 PolarHBondContact O-N 2.94Å |
| 88 | R | 51.8 | Low | 49.9 | Very low | 243 Ų | 243 | 171.2 Ų | 171.2 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | | | trans | -68.1 | 89.3 | 165 | -69.9 | -174.4 | -179.3 | -173.9 | 1.1 | 108.6 | | |
| 89 | R | 59.1 | Low | 49.7 | Very low | 234 Ų | 234 | 175.8 Ų | 175.8 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | | | trans | -168 | 122.1 | 165.3 | -104.6 | 163.6 | -107.7 | -172.4 | -0.6 | 111.3 | G87 | G87-R89 VanDerWaalsContact C-N 3.3Å; G87-R89 PolarHBondContact O-N 2.94Å |
| 90 | N | 55.2 | Low | 49.4 | Very low | 134 Ų | 134 | 177.1 Ų | 177.1 | 72% | 0.717 | 86% | 0.855 | S | S | * | * | | | trans | 68.5 | 88.8 | 160.9 | -76.2 | -2.5 | 0 | 0 | 0 | 120.4 | | |
| 91 | R | 54.4 | Low | 49.4 | Very low | 256 Ų | 256 | 171.4 Ų | 171.4 | 97% | 0.966 | 85% | 0.846 | S | S | * | * | | | trans | -114.9 | 81 | 138.2 | -82.1 | -172.3 | -72.7 | 162.4 | -3.4 | 109 | | |
| 92 | H | 45.7 | Very low | 50 | Low | 152 Ų | 152 | 178.8 Ų | 178.8 | 70% | 0.704 | 85% | 0.853 | S | S | * | * | | | trans | -151.8 | 151.3 | 164.6 | -147.3 | 69 | 0 | 0 | 0 | 105.7 | | |
| 93 | W | 51 | Low | 50.5 | Low | 219 Ų | 219 | 183.9 Ų | 183.9 | 83% | 0.83 | 86% | 0.855 | S | S | * | * | | | trans | 91 | 72.7 | -172.5 | -46.2 | 105.4 | 0 | 0 | 0 | 116.5 | | |
| 94 | R | 51.6 | Low | 50.9 | Low | 322 Ų | 322 | 191.2 Ų | 191.2 | 100% | 1.215 | 87% | 0.867 | S | S | * | * | | | | 177.3 | 0 | 114.9 | -95 | 175.5 | 173.9 | -96.5 | -0.9 | 110.3 | | |