| 1 | M | 53.5 | Low | 60.2 | Low | 238 Ų | 238 | 137.7 Ų | 137.7 | 100% | 1.172 | 67% | 0.668 | S | S | * | * | | | | 0 | 74.9 | 0 | -81.6 | -170.7 | 164.4 | 0 | 0 | 110.3 | | |
| 2 | T | 59.1 | Low | 59.8 | Low | 101 Ų | 101 | 140.7 Ų | 140.7 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | | | trans | -138 | -10.8 | -179.3 | 42.7 | 0 | 0 | 0 | 0 | 112.8 | L4 | T2-L4 PolarHBondContact O-N 3.18Š|
| 3 | T | 63 | Low | 59.6 | Low | 93 Ų | 93 | 139 Ų | 139 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72.2 | -27.7 | -174.6 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | R7 | T3-R7 PolarHBondContact O-N 2.91Å |
| 4 | L | 64.2 | Low | 59.3 | Low | 132 Ų | 132 | 138.9 Ų | 138.9 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.8 | -38.5 | 179.9 | -159.4 | 82 | 0 | 0 | 0 | 112.1 | T2 R7 M8 | T2-L4 PolarHBondContact O-N 3.18Å; L4-R7 PolarHBondContact O-N 3.22Å; L4-M8 WeakPolarHBondContact O-CG 3.5Å; L4-M8 PolarHBondContact O-N 3.4Å; L4-M8 VanDerWaalsContact O-N 3.13Å |
| 5 | L | 62 | Low | 58.8 | Low | 138 Ų | 138 | 137.7 Ų | 137.7 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.6 | -34.6 | 179.5 | -71.9 | 171 | 0 | 0 | 0 | 112 | R9 | L5-R9 WeakPolarHBondContact O-CB 3.32Å; L5-R9 PolarHBondContact O-N 3.46Å; L5-R9 VanDerWaalsContact O-N 3.15Å |
| 6 | L | 62.3 | Low | 58.2 | Low | 99 Ų | 99 | 140.3 Ų | 140.3 | 52% | 0.518 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -64.8 | -46 | 174.2 | -77.2 | 159.6 | 0 | 0 | 0 | 111.2 | M8 R9 E10 | L6-M8 VanDerWaalsContact C-N 3.35Å; L6-M8 PolarHBondContact O-N 3.13Å; L6-R9 WeakPolarHBondContact O-CB 3.48Å; L6-R9 PolarHBondContact O-N 3.27Å; L6-R9 VanDerWaalsContact O-N 3.12Å; L6-E10 WeakPolarHBondContact O-CG 3.47Å; L6-E10 PolarHBondContact O-N 3.47Å |
| 7 | R | 60.8 | Low | 57.7 | Low | 169 Ų | 169 | 137.1 Ų | 137.1 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -62 | -38.9 | 177.5 | -74.4 | -175.9 | -179.6 | 155.6 | -0 | 113.4 | T3 L4 R9 E10 Q11 | T3-R7 PolarHBondContact O-N 2.91Å; L4-R7 PolarHBondContact O-N 3.22Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 2.94Å; R7-E10 PolarHBondContact O-N 3.12Å; R7-Q11 PolarHBondContact O-N 3.41Å |
| 8 | M | 60.7 | Low | 57 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 58% | 0.576 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66.7 | -34.1 | 176.1 | -70.7 | -78 | -69.7 | 0 | 0 | 111.9 | L4 L6 F12 | L4-M8 WeakPolarHBondContact O-CG 3.5Å; L4-M8 PolarHBondContact O-N 3.4Å; L4-M8 VanDerWaalsContact O-N 3.13Å; L6-M8 VanDerWaalsContact C-N 3.35Å; L6-M8 PolarHBondContact O-N 3.13Å; M8-F12 PolarHBondContact O-N 2.88Å |
| 9 | R | 60.2 | Low | 56.5 | Low | 184 Ų | 184 | 141.7 Ų | 141.7 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72.2 | -42.3 | 177.4 | -156.4 | 176.6 | -172.3 | 166.1 | 1.5 | 111.4 | L5 L6 R7 F12 D13 | L5-R9 WeakPolarHBondContact O-CB 3.32Å; L5-R9 PolarHBondContact O-N 3.46Å; L5-R9 VanDerWaalsContact O-N 3.15Å; L6-R9 WeakPolarHBondContact O-CB 3.48Å; L6-R9 PolarHBondContact O-N 3.27Å; L6-R9 VanDerWaalsContact O-N 3.12Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 2.94Å; R9-F12 WeakPolarHBondContact O-CB 3.3Å; R9-F12 PolarHBondContact O-N 3.28Å; R9-F12 VanDerWaalsContact O-N 3.12Å; R9-D13 PolarHBondContact O-N 3.49Å |
| 10 | E | 59 | Low | 55.8 | Low | 115 Ų | 115 | 136.6 Ų | 136.6 | 54% | 0.537 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -64 | -38.5 | 174.1 | -72.8 | 170.8 | 177.3 | 0 | 0 | 112.2 | L6 R7 F12 D13 L14 | L6-E10 WeakPolarHBondContact O-CG 3.47Å; L6-E10 PolarHBondContact O-N 3.47Å; R7-E10 PolarHBondContact O-N 3.12Å; E10-F12 VanDerWaalsContact C-N 3.27Å; E10-F12 PolarHBondContact O-N 3.28Å; E10-D13 PolarHBondContact O-N 2.86Å; E10-L14 VanDerWaalsContact O-CB 3.26Å; E10-L14 WeakPolarHBondContact O-CB 3.26Å; E10-L14 WeakPolarHBondContact O-CD1 3.49Å; E10-L14 VanDerWaalsContact O-CG 3.3Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.32Å |
| 11 | Q | 56.8 | Low | 55.4 | Low | 129 Ų | 129 | 139.6 Ų | 139.6 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64 | -32 | 172.2 | -98.7 | -174.8 | -32.4 | 0 | 0 | 112.8 | R7 N15 | R7-Q11 PolarHBondContact O-N 3.41Å; Q11-N15 PolarHBondContact O-N 2.96Å |
| 12 | F | 56 | Low | 55 | Low | 173 Ų | 173 | 132.3 Ų | 132.3 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76 | -33.2 | 176.7 | -133 | -91.2 | 0 | 0 | 0 | 112.4 | M8 R9 E10 | M8-F12 PolarHBondContact O-N 2.88Å; R9-F12 WeakPolarHBondContact O-CB 3.3Å; R9-F12 PolarHBondContact O-N 3.28Å; R9-F12 VanDerWaalsContact O-N 3.12Å; E10-F12 VanDerWaalsContact C-N 3.27Å; E10-F12 PolarHBondContact O-N 3.28Å |
| 13 | D | 56.9 | Low | 54.6 | Low | 119 Ų | 119 | 132.9 Ų | 132.9 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.4 | -25.4 | 176.2 | -79.1 | -31.8 | 0 | 0 | 0 | 113.2 | R9 E10 | R9-D13 PolarHBondContact O-N 3.49Å; E10-D13 PolarHBondContact O-N 2.86Å |
| 14 | L | 55.6 | Low | 54.1 | Low | 137 Ų | 137 | 133.2 Ų | 133.2 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.2 | -28.4 | 174.8 | -80.2 | 163.7 | 0 | 0 | 0 | 112.9 | E10 K16 | E10-L14 VanDerWaalsContact O-CB 3.26Å; E10-L14 WeakPolarHBondContact O-CB 3.26Å; E10-L14 WeakPolarHBondContact O-CD1 3.49Å; E10-L14 VanDerWaalsContact O-CG 3.3Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.32Å; L14-K16 PolarHBondContact O-N 3.49Å |
| 15 | N | 51.8 | Low | 53.4 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -76.1 | 71.3 | 161.4 | -72.6 | -16.6 | 0 | 0 | 0 | 107.9 | Q11 V17 | Q11-N15 PolarHBondContact O-N 2.96Å; N15-V17 PolarHBondContact O-N 2.96Å |
| 16 | K | 49.2 | Very low | 52.7 | Low | 180 Ų | 180 | 133.8 Ų | 133.8 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | | | trans | -57.2 | 84.8 | 157.6 | -66.8 | -173.9 | -178.3 | -177.4 | 0 | 106.2 | L14 D18 | L14-K16 PolarHBondContact O-N 3.49Å; K16-D18 PolarHBondContact O-N 3.15Å |
| 17 | V | 48.9 | Very low | 52.2 | Low | 85 Ų | 85 | 135.8 Ų | 135.8 | 52% | 0.515 | 69% | 0.687 | S | S | . | * | | | trans | -52.2 | 104.8 | 158.3 | 174.8 | 0 | 0 | 0 | 0 | 102.9 | N15 K19 F26 | N15-V17 PolarHBondContact O-N 2.96Å; V17-K19 PolarHBondContact O-N 3.12Å; V17-F26 HydrophobicContact CG1-CE2 3.63Å; V17-F26 HydrophobicContact CG1-CZ 3.6Å; V17-F26 HydrophobicContact CG2-CZ 4.28Å |
| 18 | D | 45.2 | Very low | 51.8 | Low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | | | trans | -44.2 | 114.7 | 172.6 | -80.6 | -46.1 | 0 | 0 | 0 | 106.1 | K16 G20 | K16-D18 PolarHBondContact O-N 3.15Å; D18-G20 PolarHBondContact O-N 3.18Å |
| 19 | K | 47.9 | Very low | 51.4 | Low | 219 Ų | 219 | 131.4 Ų | 131.4 | 95% | 0.952 | 69% | 0.687 | S | S | * | * | | | trans | -73.2 | 44.4 | 172.8 | -65.9 | -176.8 | 179.5 | 179.2 | 0 | 108.8 | V17 | V17-K19 PolarHBondContact O-N 3.12Š|
| 20 | G | 42.7 | Very low | 50.8 | Low | 40 Ų | 40 | 132 Ų | 132 | 41% | 0.412 | 69% | 0.694 | S | S | . | * | | | trans | -100.4 | 103.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D18 T22 | D18-G20 PolarHBondContact O-N 3.18Å; G20-T22 VanDerWaalsContact C-N 3.31Å; G20-T22 PolarHBondContact O-N 3.07Å; G20-T22 PolarHBondContact O-OG1 2.68Å |
| 21 | E | 48.1 | Very low | 50.3 | Low | 199 Ų | 199 | 132.7 Ų | 132.7 | 93% | 0.93 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 66.3 | 0.9 | 145.7 | -61.9 | -173.9 | 147.8 | 0 | 0 | 120.5 | | |
| 22 | T | 45 | Very low | 49.7 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 52% | 0.521 | 69% | 0.691 | S | S | . | * | | | trans | -133.3 | 51.2 | 178 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | G20 S24 N25 | G20-T22 VanDerWaalsContact C-N 3.31Å; G20-T22 PolarHBondContact O-N 3.07Å; G20-T22 PolarHBondContact O-OG1 2.68Å; T22-S24 PolarHBondContact O-N 3.07Å; T22-N25 PolarHBondContact O-N 2.86Å |
| 23 | A | 49.8 | Very low | 49.3 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 93% | 0.934 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 2.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 24 | S | 52.2 | Low | 48.7 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -11 | 178.7 | 54.2 | 0 | 0 | 0 | 0 | 115.2 | T22 | T22-S24 PolarHBondContact O-N 3.07Š|
| 25 | N | 50.1 | Low | 48.2 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | | | trans | -122 | 15.2 | -167.3 | -67.2 | -32.7 | 0 | 0 | 0 | 115.1 | T22 L27 | T22-N25 PolarHBondContact O-N 2.86Å; N25-L27 PolarHBondContact O-N 3.27Å |
| 26 | F | 46.5 | Very low | 48.1 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 69% | 0.689 | 70% | 0.7 | S | S | * | * | | | trans | -78.9 | 35.9 | -179.7 | -124.5 | -85.9 | 0 | 0 | 0 | 114 | V17 | V17-F26 HydrophobicContact CG1-CE2 3.63Å; V17-F26 HydrophobicContact CG1-CZ 3.6Å; V17-F26 HydrophobicContact CG2-CZ 4.28Å |
| 27 | L | 52.3 | Low | 47.9 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -91.6 | 117.3 | 162.4 | -77.3 | 170.3 | 0 | 0 | 0 | 107.4 | N25 T29 | N25-L27 PolarHBondContact O-N 3.27Å; L27-T29 PolarHBondContact O-N 3.47Å |
| 28 | P | 52.9 | Low | 47.8 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 47% | 0.474 | 72% | 0.715 | S | S | . | * | | | trans | -51.6 | 128.6 | 170.9 | -19.5 | 28.5 | 0 | 0 | 0 | 108.1 | F30 F31 | P28-F30 PolarHBondContact O-N 3.4Å; P28-F31 HydrophobicContact CB-CD2 4.19Å; P28-F31 HydrophobicContact CG-CD2 4.19Å; P28-F31 HydrophobicContact CG-CE2 4.46Å; P28-F31 PolarHBondContact O-N 3.5Å |
| 29 | T | 52.4 | Low | 48.2 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -54.3 | -14.4 | -179.8 | -13.8 | 0 | 0 | 0 | 0 | 112.8 | L27 F31 S32 | L27-T29 PolarHBondContact O-N 3.47Å; T29-F31 PolarHBondContact O-N 3.41Å; T29-S32 PolarHBondContact O-N 3.5Å; T29-S32 PolarHBondContact O-OG 3.5Å |
| 30 | F | 48.1 | Very low | 48.2 | Very low | 196 Ų | 196 | 126.3 Ų | 126.3 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -64.8 | -16.8 | 168.3 | -90.6 | -88.3 | 0 | 0 | 0 | 115.3 | P28 | P28-F30 PolarHBondContact O-N 3.4Š|
| 31 | F | 47 | Very low | 48.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -103.1 | -0.8 | 175.7 | -70.8 | -80.3 | 0 | 0 | 0 | 113.7 | P28 T29 N33 C34 | P28-F31 HydrophobicContact CB-CD2 4.19Å; P28-F31 HydrophobicContact CG-CD2 4.19Å; P28-F31 HydrophobicContact CG-CE2 4.46Å; P28-F31 PolarHBondContact O-N 3.5Å; T29-F31 PolarHBondContact O-N 3.41Å; F31-N33 PolarHBondContact O-N 2.84Å; F31-C34 PolarHBondContact O-N 3.21Å; F31-C34 VanDerWaalsContact O-N 3.13Å |
| 32 | S | 45.9 | Very low | 48.8 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 50% | 0.497 | 73% | 0.73 | S | S | . | * | G | 310 helix | trans | -65.5 | -27.6 | 179 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | T29 C34 | T29-S32 PolarHBondContact O-N 3.5Å; T29-S32 PolarHBondContact O-OG 3.5Å; S32-C34 VanDerWaalsContact C-N 3.33Å; S32-C34 PolarHBondContact O-N 3.3Å |
| 33 | N | 47.1 | Very low | 49.2 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -84.7 | 3.1 | 175.8 | -83.8 | -15.7 | 0 | 0 | 0 | 114.8 | F31 | F31-N33 PolarHBondContact O-N 2.84Š|
| 34 | C | 44 | Very low | 49.5 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -95.7 | 1.7 | 169 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | F31 S32 T36 | F31-C34 PolarHBondContact O-N 3.21Å; F31-C34 VanDerWaalsContact O-N 3.13Å; S32-C34 VanDerWaalsContact C-N 3.33Å; S32-C34 PolarHBondContact O-N 3.3Å; C34-T36 PolarHBondContact O-N 3.19Å |
| 35 | A | 45.5 | Very low | 49.5 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 54 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 36 | T | 49 | Very low | 49.5 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.3 | 16.4 | 172.6 | 19.5 | 0 | 0 | 0 | 0 | 115.2 | C34 | C34-T36 PolarHBondContact O-N 3.19Š|
| 37 | M | 45.1 | Very low | 49.7 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | trans | -102.6 | 96.5 | 162.9 | -84.2 | -86.8 | -152.2 | 0 | 0 | 107.9 | K39 | M37-K39 PolarHBondContact O-N 3.31Š|
| 38 | G | 48.2 | Very low | 49.6 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | | | trans | -63.3 | 44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R40 | G38-R40 PolarHBondContact O-N 3.27Š|
| 39 | K | 51.9 | Low | 49.5 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | -78.7 | 99.4 | 168.1 | -66.7 | -173.4 | -179.2 | -178.1 | 0 | 106.6 | M37 F41 | M37-K39 PolarHBondContact O-N 3.31Å; K39-F41 PolarHBondContact O-N 3.21Å |
| 40 | R | 49.5 | Very low | 49.2 | Very low | 240 Ų | 240 | 139.8 Ų | 139.8 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | | | trans | -47.6 | 110.2 | 165 | -75.2 | -178 | 170.3 | -174.9 | -2.8 | 107.7 | G38 R42 | G38-R40 PolarHBondContact O-N 3.27Å; R40-R42 PolarHBondContact O-N 2.92Å |
| 41 | F | 48.9 | Very low | 49.4 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | | | trans | -60.6 | 106.2 | 166.8 | -114.1 | -94.3 | 0 | 0 | 0 | 106 | K39 S43 | K39-F41 PolarHBondContact O-N 3.21Å; F41-S43 PolarHBondContact O-N 3.49Å |
| 42 | R | 54.2 | Low | 49.6 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 88% | 0.875 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 120 | 160.3 | -90.9 | -171.9 | 171.9 | 176.7 | -1.6 | 104.8 | R40 | R40-R42 PolarHBondContact O-N 2.92Š|
| 43 | S | 53.5 | Low | 49.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 128.9 | 165 | 40.4 | 0 | 0 | 0 | 0 | 106.7 | F41 G45 | F41-S43 PolarHBondContact O-N 3.49Å; S43-G45 PolarHBondContact O-N 2.74Å |
| 44 | P | 55.8 | Low | 49.7 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 116.3 | 168.7 | 22.2 | -29.2 | 0 | 0 | 0 | 104.8 | | |
| 45 | G | 52.8 | Low | 49.9 | Very low | 54 Ų | 54 | 134.7 Ų | 134.7 | 56% | 0.557 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 149.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S43 L47 | S43-G45 PolarHBondContact O-N 2.74Å; G45-L47 PolarHBondContact O-N 3.41Å |
| 46 | R | 50.1 | Low | 50 | Low | 260 Ų | 260 | 137 Ų | 137 | 98% | 0.981 | 72% | 0.721 | S | S | * | * | | | trans | -53.8 | 76.9 | -178.7 | -74.7 | -178.2 | 170.6 | -158.7 | -0.8 | 111.3 | A48 | R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 2.77Å |
| 47 | L | 50.6 | Low | 50.1 | Low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | | | trans | -77.1 | 98.3 | 160.8 | -75.9 | 166.6 | 0 | 0 | 0 | 102.1 | G45 I49 | G45-L47 PolarHBondContact O-N 3.41Å; L47-I49 PolarHBondContact O-N 3.49Å |
| 48 | A | 49.2 | Very low | 50.4 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | | | trans | -53.8 | 100.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | R46 N50 | R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 2.77Å; A48-N50 PolarHBondContact O-N 2.91Å |
| 49 | I | 50.2 | Low | 50.7 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | | | trans | -65.2 | 98.7 | 168.1 | -60.2 | 175 | 0 | 0 | 0 | 103.3 | L47 A51 | L47-I49 PolarHBondContact O-N 3.49Å; I49-A51 PolarHBondContact O-N 2.81Å; I49-A51 VanDerWaalsContact O-N 3.11Å |
| 50 | N | 46.3 | Very low | 50.8 | Low | 114 Ų | 114 | 129.4 Ų | 129.4 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | | | trans | -50.9 | 121.4 | 170 | -114.7 | -21.6 | 0 | 0 | 0 | 106.2 | A48 S52 D53 | A48-N50 PolarHBondContact O-N 2.91Å; N50-S52 PolarHBondContact O-N 2.84Å; N50-D53 PolarHBondContact O-N 3.18Å |
| 51 | A | 52.9 | Low | 50.9 | Low | 78 Ų | 78 | 123.1 Ų | 123.1 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -58.3 | -17.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I49 D53 T54 | I49-A51 PolarHBondContact O-N 2.81Å; I49-A51 VanDerWaalsContact O-N 3.11Å; A51-D53 VanDerWaalsContact C-N 3.3Å; A51-D53 PolarHBondContact O-N 2.85Å; A51-T54 PolarHBondContact O-OG1 3.43Å |
| 52 | S | 50.9 | Low | 51.1 | Low | 93 Ų | 93 | 116.4 Ų | 116.4 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -65 | -23 | 171.4 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | N50 | N50-S52 PolarHBondContact O-N 2.84Š|
| 53 | D | 47.8 | Very low | 51 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 37% | 0.369 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -94.3 | 0.5 | -177.4 | -104.1 | -19 | 0 | 0 | 0 | 114.7 | N50 A51 R55 Q56 V57 | N50-D53 PolarHBondContact O-N 3.18Å; A51-D53 VanDerWaalsContact C-N 3.3Å; A51-D53 PolarHBondContact O-N 2.85Å; D53-R55 PolarHBondContact O-N 3.17Å; D53-R55 VanDerWaalsContact O-N 3.1Å; D53-Q56 PolarHBondContact O-N 2.78Å; D53-Q56 WeakPolarHBondContact OD1-CG 3.42Å; D53-Q56 PolarHBondContact OD1-NE2 3.28Å; D53-Q56 VanDerWaalsContact OD1-NE2 3.17Å; D53-V57 PolarHBondContact O-N 3.34Å |
| 54 | T | 47.4 | Very low | 50.8 | Low | 86 Ų | 86 | 117.7 Ų | 117.7 | 53% | 0.528 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -58.3 | -26.4 | 177.5 | 50.4 | 0 | 0 | 0 | 0 | 113 | A51 K58 | A51-T54 PolarHBondContact O-OG1 3.43Å; T54-K58 PolarHBondContact O-N 3.33Å |
| 55 | R | 47.6 | Very low | 50.5 | Low | 216 Ų | 216 | 116.2 Ų | 116.2 | 82% | 0.815 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.8 | -36.5 | 173.1 | -66.6 | -172.5 | -178.2 | -163.1 | 1.7 | 112.8 | D53 A59 | D53-R55 PolarHBondContact O-N 3.17Å; D53-R55 VanDerWaalsContact O-N 3.1Å; R55-A59 PolarHBondContact O-N 3.38Å |
| 56 | Q | 47.8 | Very low | 50.5 | Low | 127 Ų | 127 | 120 Ų | 120 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.1 | -36.1 | 179.3 | -64.9 | -165 | 19.5 | 0 | 0 | 112.1 | D53 K58 A59 T60 | D53-Q56 PolarHBondContact O-N 2.78Å; D53-Q56 WeakPolarHBondContact OD1-CG 3.42Å; D53-Q56 PolarHBondContact OD1-NE2 3.28Å; D53-Q56 VanDerWaalsContact OD1-NE2 3.17Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.46Å; Q56-A59 PolarHBondContact O-N 3.12Å; Q56-T60 WeakPolarHBondContact O-CB 3.37Å; Q56-T60 PolarHBondContact O-N 3.21Å; Q56-T60 PolarHBondContact O-OG1 3.27Å |
| 57 | V | 51.7 | Low | 50.5 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.9 | -41.2 | 177.6 | -179.7 | 0 | 0 | 0 | 0 | 111 | D53 T60 L61 | D53-V57 PolarHBondContact O-N 3.34Å; V57-T60 PolarHBondContact O-N 3.42Å; V57-L61 HydrophobicContact CG1-CD1 4.03Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.22Å |
| 58 | K | 51 | Low | 50.4 | Low | 158 Ų | 158 | 109 Ų | 109 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.1 | -40.3 | 177.4 | -165.7 | 176.5 | -179.2 | -178.9 | 0 | 112.7 | T54 Q56 S62 | T54-K58 PolarHBondContact O-N 3.33Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.46Å; K58-S62 PolarHBondContact O-N 3.34Å; K58-S62 VanDerWaalsContact O-N 3.12Å; K58-S62 PolarHBondContact O-OG 3.13Å |
| 59 | A | 54.4 | Low | 50.3 | Low | 61 Ų | 61 | 110 Ų | 110 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R55 Q56 S62 R63 | R55-A59 PolarHBondContact O-N 3.38Å; Q56-A59 PolarHBondContact O-N 3.12Å; A59-S62 PolarHBondContact O-N 3.45Å; A59-R63 PolarHBondContact O-N 3.32Å |
| 60 | T | 54.4 | Low | 50.2 | Low | 78 Ų | 78 | 108.6 Ų | 108.6 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.3 | -39.4 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | Q56 V57 R64 | Q56-T60 WeakPolarHBondContact O-CB 3.37Å; Q56-T60 PolarHBondContact O-N 3.21Å; Q56-T60 PolarHBondContact O-OG1 3.27Å; V57-T60 PolarHBondContact O-N 3.42Å; T60-R64 PolarHBondContact O-N 3.44Å |
| 61 | L | 51.9 | Low | 50.3 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.5 | -43.3 | 175.7 | -77.3 | 166.1 | 0 | 0 | 0 | 112 | V57 R63 R64 V65 | V57-L61 HydrophobicContact CG1-CD1 4.03Å; V57-L61 WeakPolarHBondContact O-CG 3.4Å; V57-L61 PolarHBondContact O-N 3.22Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 3.27Å; L61-R64 PolarHBondContact O-N 3.47Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.03Å |
| 62 | S | 53.3 | Low | 50 | Low | 61 Ų | 61 | 113.7 Ų | 113.7 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.4 | -41.8 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | K58 A59 R64 V65 E66 | K58-S62 PolarHBondContact O-N 3.34Å; K58-S62 VanDerWaalsContact O-N 3.12Å; K58-S62 PolarHBondContact O-OG 3.13Å; A59-S62 PolarHBondContact O-N 3.45Å; S62-R64 PolarHBondContact O-N 3.03Å; S62-V65 PolarHBondContact O-N 2.92Å; S62-E66 PolarHBondContact O-N 3.48Å |
| 63 | R | 51 | Low | 49.8 | Very low | 175 Ų | 175 | 112.7 Ų | 112.7 | 66% | 0.66 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.5 | -32.2 | -179.3 | -156.8 | 176.8 | 167.4 | -177.5 | -4.5 | 113.4 | A59 L61 Q67 | A59-R63 PolarHBondContact O-N 3.32Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 3.27Å; R63-Q67 WeakPolarHBondContact O-CG 3.46Å; R63-Q67 PolarHBondContact O-N 3.37Å |
| 64 | R | 49.2 | Very low | 49.7 | Very low | 182 Ų | 182 | 113.8 Ų | 113.8 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.3 | -34.1 | 175.4 | -73.6 | -174.6 | 178.3 | -166.6 | 0.3 | 112.6 | T60 L61 S62 S68 | T60-R64 PolarHBondContact O-N 3.44Å; L61-R64 PolarHBondContact O-N 3.47Å; S62-R64 PolarHBondContact O-N 3.03Å; R64-S68 PolarHBondContact O-N 2.83Å |
| 65 | V | 50.4 | Low | 49.6 | Very low | 84 Ų | 84 | 114.6 Ų | 114.6 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.1 | -45.8 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | L61 S62 S68 L69 | L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.03Å; S62-V65 PolarHBondContact O-N 2.92Å; V65-S68 PolarHBondContact O-N 3.39Å; V65-S68 PolarHBondContact O-OG 2.79Å; V65-L69 HydrophobicContact CG1-CD1 4.03Å; V65-L69 WeakPolarHBondContact O-CG 3.45Å; V65-L69 PolarHBondContact O-N 2.97Å |
| 66 | E | 51.4 | Low | 49.7 | Very low | 133 Ų | 133 | 108.1 Ų | 108.1 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.2 | -44.1 | 177.9 | -72.6 | 179 | 173.9 | 0 | 0 | 112.5 | S62 S68 L69 V70 | S62-E66 PolarHBondContact O-N 3.48Å; E66-S68 VanDerWaalsContact C-N 3.28Å; E66-S68 PolarHBondContact O-N 3.44Å; E66-L69 PolarHBondContact O-N 2.94Å; E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 3.22Å; E66-V70 VanDerWaalsContact O-N 3.07Å |
| 67 | Q | 50.3 | Low | 49.7 | Very low | 118 Ų | 118 | 111.4 Ų | 111.4 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -32.9 | 178 | -76.7 | -179.4 | -22.2 | 0 | 0 | 113.3 | R63 T71 | R63-Q67 WeakPolarHBondContact O-CG 3.46Å; R63-Q67 PolarHBondContact O-N 3.37Å; Q67-T71 PolarHBondContact O-N 3.39Å; Q67-T71 PolarHBondContact O-OG1 2.92Å |
| 68 | S | 49 | Very low | 49.5 | Very low | 61 Ų | 61 | 110.9 Ų | 110.9 | 43% | 0.427 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74 | -29.6 | 177.2 | 80.4 | 0 | 0 | 0 | 0 | 113.5 | R64 V65 E66 T71 R72 | R64-S68 PolarHBondContact O-N 2.83Å; V65-S68 PolarHBondContact O-N 3.39Å; V65-S68 PolarHBondContact O-OG 2.79Å; E66-S68 VanDerWaalsContact C-N 3.28Å; E66-S68 PolarHBondContact O-N 3.44Å; S68-T71 PolarHBondContact O-OG1 2.71Å; S68-R72 PolarHBondContact O-N 2.93Å |
| 69 | L | 47.5 | Very low | 49.3 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 59% | 0.592 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.4 | -37.8 | 178.1 | -71.1 | 167.3 | 0 | 0 | 0 | 111.3 | V65 E66 T71 S73 | V65-L69 HydrophobicContact CG1-CD1 4.03Å; V65-L69 WeakPolarHBondContact O-CG 3.45Å; V65-L69 PolarHBondContact O-N 2.97Å; E66-L69 PolarHBondContact O-N 2.94Å; L69-T71 PolarHBondContact O-N 3.1Å; L69-S73 PolarHBondContact O-N 3.11Å |
| 70 | V | 47.8 | Very low | 49.1 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 56% | 0.558 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.7 | -41.2 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | E66 S73 T74 | E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 3.22Å; E66-V70 VanDerWaalsContact O-N 3.07Å; V70-S73 PolarHBondContact O-N 2.86Å; V70-S73 PolarHBondContact O-OG 3.17Å; V70-S73 VanDerWaalsContact O-OG 3.07Å; V70-T74 PolarHBondContact O-OG1 2.85Å |
| 71 | T | 48.5 | Very low | 48.9 | Very low | 88 Ų | 88 | 127 Ų | 127 | 54% | 0.54 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75.3 | -26.4 | -178.8 | 30.5 | 0 | 0 | 0 | 0 | 114.4 | Q67 S68 L69 T74 V75 | Q67-T71 PolarHBondContact O-N 3.39Å; Q67-T71 PolarHBondContact O-OG1 2.92Å; S68-T71 PolarHBondContact O-OG1 2.71Å; L69-T71 PolarHBondContact O-N 3.1Å; T71-T74 PolarHBondContact O-OG1 2.81Å; T71-V75 WeakPolarHBondContact O-CG2 3.48Å |
| 72 | R | 45.8 | Very low | 48.7 | Very low | 211 Ų | 211 | 125.2 Ų | 125.2 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.1 | -28.8 | 172.8 | -79.2 | -175.6 | 171.4 | -163.5 | -1.7 | 113.2 | S68 | S68-R72 PolarHBondContact O-N 2.93Å |
| 73 | S | 47.5 | Very low | 48.5 | Very low | 72 Ų | 72 | 133 Ų | 133 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75.2 | -29.3 | -178.1 | 79.2 | 0 | 0 | 0 | 0 | 114 | L69 V70 | L69-S73 PolarHBondContact O-N 3.11Å; V70-S73 PolarHBondContact O-N 2.86Å; V70-S73 PolarHBondContact O-OG 3.17Å; V70-S73 VanDerWaalsContact O-OG 3.07Å |
| 74 | T | 45.9 | Very low | 48.6 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 56% | 0.558 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.8 | -28 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | V70 T71 | V70-T74 PolarHBondContact O-OG1 2.85Å; T71-T74 PolarHBondContact O-OG1 2.81Å |
| 75 | V | 45 | Very low | 48.8 | Very low | 103 Ų | 103 | 134 Ų | 134 | 62% | 0.624 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76 | -25.3 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | T71 | T71-V75 WeakPolarHBondContact O-CG2 3.48Å |
| 76 | A | 49.1 | Very low | 48.9 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -17.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 77 | K | 49.5 | Very low | 49.1 | Very low | 196 Ų | 196 | 141 Ų | 141 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -6.2 | 179.6 | -89.7 | 179.3 | 174.4 | 177.4 | 0 | 115 | | |
| 78 | G | 46.1 | Very low | 49 | Very low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -94.4 | -0.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 79 | R | 46.6 | Very low | 49.3 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -104.4 | 9.2 | -171.8 | -86.2 | -172 | 168.8 | -179.7 | -2 | 116.5 | | |
| 80 | R | 51.1 | Low | 49 | Very low | 228 Ų | 228 | 142.7 Ų | 142.7 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -122.1 | 66.5 | 177.5 | -61.4 | -174.1 | -138.9 | 162.2 | 3.5 | 111.2 | | |
| 81 | N | 49.7 | Very low | 49.3 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | 171.3 | 79.6 | 155.4 | -90.4 | -12.3 | 0 | 0 | 0 | 108.9 | | |
| 82 | G | 47.4 | Very low | 49.5 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -146 | 41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q84 | G82-Q84 PolarHBondContact O-N 3.17Š|
| 83 | K | 49.5 | Very low | 49.6 | Very low | 225 Ų | 225 | 138.1 Ų | 138.1 | 98% | 0.978 | 80% | 0.799 | S | S | * | * | | | trans | -70.2 | 71.3 | 161.4 | -102.9 | -175.7 | 176.4 | 177.9 | 0 | 107.5 | | |
| 84 | Q | 54.1 | Low | 49.7 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -95.3 | 109.8 | 170.6 | -116.5 | 173.5 | -5.8 | 0 | 0 | 108.6 | G82 R86 | G82-Q84 PolarHBondContact O-N 3.17Å; Q84-R86 PolarHBondContact O-N 3.21Å |
| 85 | K | 51.9 | Low | 49.9 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | | | trans | -45.2 | 113.5 | 168.9 | -110.7 | 175.6 | 170.5 | -179 | 0 | 109.2 | T87 | K85-T87 PolarHBondContact O-N 2.95Š|
| 86 | R | 53.3 | Low | 50.2 | Low | 242 Ų | 242 | 140.9 Ų | 140.9 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | | | trans | -81.1 | 95.4 | 168.6 | -168.2 | -179.1 | -60.8 | 166.8 | 1.7 | 107.4 | Q84 | Q84-R86 PolarHBondContact O-N 3.21Š|
| 87 | T | 56.4 | Low | 50 | Low | 122 Ų | 122 | 141.2 Ų | 141.2 | 75% | 0.748 | 85% | 0.847 | S | S | * | * | | | trans | -79.1 | 129.3 | 170.7 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | K85 | K85-T87 PolarHBondContact O-N 2.95Š|
| 88 | T | 48.2 | Very low | 50 | Low | 144 Ų | 144 | 135.4 Ų | 135.4 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | | | trans | -72.7 | 119.9 | -179.1 | 44.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 89 | A | 55 | Low | 50.7 | Low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | | | trans | -140.8 | 126.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 90 | G | 40.4 | Very low | 51.1 | Low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | | | trans | -69.1 | 156.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 91 | A | 54.3 | Low | 51.4 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | | | trans | -159.4 | 136.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 92 | A | 52.1 | Low | 52.3 | Low | 105 Ų | 105 | 129 Ų | 129 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | | | trans | -67.8 | 157.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 93 | G | 48.6 | Very low | 52.5 | Low | 84 Ų | 84 | 131.8 Ų | 131.8 | 87% | 0.866 | 85% | 0.847 | S | S | * | * | | | trans | 96.1 | 120 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 94 | G | 49.3 | Very low | 53.3 | Low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | | | trans | 149 | 71.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 95 | D | 50 | Low | 53.6 | Low | 177 Ų | 177 | 130.2 Ų | 130.2 | 95% | 0.947 | 84% | 0.84 | S | S | * | * | | | trans | -66.3 | 123.7 | 163.1 | -155 | -82.9 | 0 | 0 | 0 | 108.3 | | |
| 96 | G | 51.5 | Low | 53.7 | Low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | | | trans | -176.3 | 75.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G98 | G96-G98 PolarHBondContact O-N 3.17Š|
| 97 | G | 45.2 | Very low | 54.2 | Low | 86 Ų | 86 | 125.4 Ų | 125.4 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | | | trans | -57.5 | 126.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 98 | G | 49.9 | Very low | 54.5 | Low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | | | trans | -136.8 | 94.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G96 | G96-G98 PolarHBondContact O-N 3.17Š|
| 99 | S | 60.1 | Low | 55 | Low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 86% | 0.862 | S | S | * | * | | | trans | -52.2 | 135 | -177.6 | -70.6 | 0 | 0 | 0 | 0 | 113.8 | V101 | S99-V101 PolarHBondContact O-N 2.56Š|
| 100 | K | 55.8 | Low | 55 | Low | 209 Ų | 209 | 136.6 Ų | 136.6 | 91% | 0.909 | 86% | 0.864 | S | S | * | * | | | trans | -72.8 | 119.3 | 166.9 | -68 | 176 | 177.9 | 173.3 | 0 | 108.9 | | |
| 101 | V | 57.8 | Low | 55.8 | Low | 132 Ų | 132 | 139.4 Ų | 139.4 | 80% | 0.8 | 86% | 0.864 | S | S | * | * | | | trans | -96.5 | 112 | 165.3 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | S99 | S99-V101 PolarHBondContact O-N 2.56Š|
| 102 | S | 66.8 | Low | 55.9 | Low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 86% | 0.863 | S | S | * | * | | | trans | -93.2 | 123.2 | 168.2 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | K104 | S102-K104 PolarHBondContact O-N 2.89Š|
| 103 | C | 52 | Low | 56.1 | Low | 131 Ų | 131 | 143.4 Ų | 143.4 | 89% | 0.885 | 86% | 0.863 | S | S | * | * | | | trans | -72.6 | 109.9 | 166.4 | -63.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 104 | K | 66.3 | Low | 56.5 | Low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 86% | 0.863 | S | S | * | * | | | trans | -95 | 141.9 | 162.3 | -108.3 | -176.7 | 174.8 | -177.6 | 0 | 108.6 | S102 | S102-K104 PolarHBondContact O-N 2.89Š|
| 105 | E | 60.5 | Low | 57 | Low | 187 Ų | 187 | 151.7 Ų | 151.7 | 87% | 0.874 | 87% | 0.866 | S | S | * | * | | | trans | -55.2 | 143.6 | -175.3 | -67.7 | 147.3 | 137.8 | 0 | 0 | 112.6 | | |
| 106 | V | 54.6 | Low | 57.5 | Low | 143 Ų | 143 | 149.9 Ų | 149.9 | 87% | 0.867 | 86% | 0.861 | S | S | * | * | | | trans | -97 | 110.8 | 163.5 | 174.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 107 | E | 63 | Low | 58 | Low | 191 Ų | 191 | 156 Ų | 156 | 89% | 0.893 | 87% | 0.871 | S | S | * | * | | | trans | -91.7 | 123 | 167 | -159.1 | 178.2 | 148.3 | 0 | 0 | 107.1 | | |
| 108 | E | 62.8 | Low | 59 | Low | 187 Ų | 187 | 161.8 Ų | 161.8 | 87% | 0.874 | 87% | 0.87 | S | S | * | * | | | trans | -80.4 | 135.8 | -178.1 | -156.7 | 174.7 | 171.1 | 0 | 0 | 109.3 | | |
| 109 | K | 59.1 | Low | 59.9 | Low | 277 Ų | 277 | 169.8 Ų | 169.8 | 100% | 1.204 | 88% | 0.88 | S | S | * | * | | | trans | -108.1 | 0 | 172.7 | -114.8 | -170.9 | -177.5 | -176.5 | 0 | 109.6 | | |