# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 T C C 72.13 5.24 13.96 20.37 112.16 -154.83 -87.01 151.77 99.70 0.03 0.27 99.60 0.06 0.07 0.24 0.00 0.00 0.01 0.01 1 R H H 143.45 4.29 11.13 16.76 96.30 53.01 -69.31 -33.11 33.67 0.16 66.17 27.68 0.96 4.26 66.03 0.94 0.00 0.06 0.08 2 T H H 84.79 2.45 11.55 14.99 94.47 56.78 -66.84 -37.71 13.51 0.06 86.43 7.90 1.71 3.45 86.04 0.85 0.00 0.02 0.03 3 E H H 113.03 1.88 13.35 15.41 93.27 52.18 -66.09 -39.69 4.05 0.03 95.92 2.08 0.55 1.39 95.18 0.76 0.00 0.02 0.01 4 I H H 81.87 3.88 13.16 18.39 92.91 50.26 -65.48 -41.67 1.70 0.02 98.28 0.80 0.21 0.65 97.85 0.47 0.00 0.01 0.00 5 I H H 75.62 5.00 13.48 19.89 92.26 49.87 -64.77 -41.55 0.94 0.01 99.05 0.36 0.10 0.40 98.89 0.24 0.00 0.00 0.00 6 R H H 131.03 1.96 15.80 17.59 91.95 50.41 -64.42 -41.11 0.83 0.00 99.16 0.25 0.08 0.39 99.12 0.17 0.00 0.00 0.00 7 E H H 103.58 2.36 16.38 18.64 91.91 50.01 -64.90 -41.20 1.05 0.00 98.95 0.22 0.08 0.59 98.93 0.17 0.00 0.00 0.00 8 L H H 75.24 5.25 15.26 21.69 92.29 49.92 -65.18 -41.11 1.37 0.00 98.63 0.30 0.12 0.74 98.63 0.20 0.00 0.00 0.00 9 E H H 97.37 3.79 16.53 20.98 92.02 50.58 -64.34 -40.80 1.52 0.00 98.48 0.37 0.14 0.80 98.47 0.21 0.00 0.00 0.00 10 R H H 129.35 1.87 17.89 18.90 92.06 50.15 -64.72 -41.04 1.89 0.00 98.11 0.46 0.17 1.03 98.06 0.27 0.00 0.00 0.00 11 S H H 49.05 4.13 16.69 21.74 91.88 50.72 -64.60 -40.78 2.58 0.00 97.42 0.71 0.23 1.36 97.39 0.31 0.00 0.00 0.00 12 L H H 68.78 6.66 15.79 23.68 92.16 50.80 -64.56 -40.61 1.87 0.00 98.12 0.53 0.18 0.94 98.09 0.26 0.00 0.00 0.00 13 R H H 134.02 2.14 18.50 20.15 91.83 50.89 -64.20 -41.22 1.35 0.00 98.64 0.38 0.13 0.65 98.65 0.19 0.00 0.00 0.00 14 E H H 101.99 2.45 18.70 20.63 91.93 49.65 -64.61 -40.95 1.17 0.00 98.83 0.28 0.10 0.61 98.83 0.17 0.00 0.00 0.00 15 Q H H 71.58 7.86 16.35 25.33 92.07 50.88 -64.67 -40.37 0.91 0.00 99.09 0.19 0.08 0.49 99.10 0.14 0.00 0.00 0.00 16 E H H 89.74 5.41 17.75 23.99 91.86 50.87 -64.41 -40.74 0.97 0.00 99.02 0.23 0.08 0.50 99.07 0.13 0.00 0.00 0.00 17 E H H 104.35 1.99 20.59 21.12 91.81 50.00 -64.12 -41.71 0.70 0.00 99.30 0.13 0.05 0.38 99.35 0.09 0.00 0.00 0.00 18 L H H 69.05 5.28 18.54 24.83 91.96 49.87 -64.56 -41.56 0.56 0.00 99.44 0.10 0.04 0.31 99.49 0.07 0.00 0.00 0.00 19 A H H 27.60 10.24 15.60 27.51 91.56 51.23 -63.43 -41.29 0.38 0.00 99.62 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 20 K H H 118.73 2.25 20.66 22.12 91.72 50.44 -64.31 -41.18 0.28 0.00 99.72 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 21 R H H 128.28 2.41 20.31 22.00 91.70 49.49 -64.62 -41.44 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 22 L H H 42.77 11.79 15.77 28.71 91.91 50.48 -64.58 -41.06 0.23 0.00 99.77 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 23 M H H 86.99 6.15 18.59 25.56 91.68 51.33 -63.75 -41.05 0.19 0.00 99.81 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 24 E H H 107.56 1.73 21.03 20.89 91.66 50.06 -64.27 -41.58 0.17 0.00 99.83 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 25 L H H 58.23 7.28 17.70 26.38 91.86 50.31 -64.75 -41.56 0.16 0.00 99.84 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 26 L H H 48.22 11.49 15.68 28.19 91.94 51.21 -63.76 -41.12 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 27 L H H 90.78 2.31 20.05 21.49 91.56 50.30 -63.75 -41.33 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 28 K H H 109.77 2.64 19.85 22.02 91.86 50.07 -64.93 -40.98 0.27 0.00 99.73 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 29 L H H 35.74 11.98 14.38 27.78 91.83 50.87 -64.50 -41.01 0.33 0.00 99.67 0.03 0.02 0.19 99.70 0.06 0.00 0.00 0.00 30 L H H 82.49 4.27 17.92 22.94 91.78 51.37 -63.92 -41.06 0.62 0.00 99.38 0.09 0.03 0.35 99.35 0.19 0.00 0.00 0.00 31 R H H 139.31 1.48 18.41 18.45 92.09 50.38 -64.66 -40.42 1.69 0.00 98.31 0.18 0.11 1.19 97.96 0.57 0.00 0.00 0.00 32 L H H 54.76 7.16 12.81 22.02 92.57 51.49 -66.00 -38.96 3.54 0.01 96.44 0.49 0.29 2.45 95.14 1.62 0.00 0.00 0.00 33 Q H H 96.90 6.18 12.65 20.29 93.02 53.35 -67.21 -34.72 10.88 0.03 89.09 1.81 0.93 7.60 86.95 2.67 0.01 0.01 0.02 34 M H H 143.30 1.16 13.31 14.32 93.36 56.34 -70.97 -26.31 24.58 0.09 75.33 3.68 2.73 17.58 73.49 2.41 0.02 0.03 0.05 35 T C H 98.28 1.87 11.66 14.16 98.14 52.13 -86.86 -3.93 52.31 0.26 47.42 8.81 11.19 31.11 46.73 1.86 0.03 0.08 0.19 36 G C T 58.98 1.62 12.37 14.79 101.20 -106.85 81.05 12.36 95.28 0.39 4.32 38.55 16.39 40.53 3.02 1.15 0.00 0.16 0.21 37 S C C 56.55 6.78 9.34 17.86 116.12 139.36 -88.79 145.50 95.29 0.66 4.05 71.73 17.68 5.76 2.94 1.16 0.00 0.25 0.47 38 S C C 63.63 3.22 14.37 18.27 116.87 -120.82 -85.24 158.20 93.57 0.49 5.94 79.15 10.35 3.81 5.06 1.11 0.00 0.19 0.34 39 D H H 94.59 5.13 12.23 18.95 94.73 -118.56 -64.12 -34.35 26.82 0.11 73.06 16.46 6.46 3.63 72.25 1.11 0.00 0.03 0.06 40 E H H 126.16 1.44 15.30 16.09 92.67 54.20 -65.40 -39.82 4.84 0.01 95.15 1.67 0.76 2.09 94.68 0.78 0.00 0.01 0.00 41 D H H 70.64 4.19 15.27 20.61 92.49 51.01 -66.08 -39.75 2.31 0.01 97.68 0.94 0.27 0.98 97.10 0.70 0.00 0.01 0.00 42 V H H 38.01 11.30 12.40 25.06 92.17 51.06 -64.66 -41.24 0.73 0.00 99.26 0.23 0.08 0.32 99.05 0.32 0.00 0.00 0.00 43 R H H 128.25 2.91 17.66 20.88 91.77 51.29 -64.04 -41.13 0.40 0.00 99.60 0.10 0.03 0.18 99.57 0.11 0.00 0.00 0.00 44 R H H 134.87 1.80 19.21 19.87 91.95 50.04 -64.81 -41.07 0.36 0.00 99.64 0.08 0.02 0.19 99.63 0.08 0.00 0.00 0.00 45 L H H 44.85 9.87 15.69 27.14 92.01 50.37 -64.18 -41.71 0.31 0.00 99.69 0.05 0.02 0.17 99.70 0.06 0.00 0.00 0.00 46 M H H 71.84 9.21 16.83 27.02 91.76 50.97 -63.61 -40.80 0.32 0.00 99.68 0.04 0.01 0.18 99.71 0.06 0.00 0.00 0.00 47 L H H 92.59 2.22 19.83 21.09 91.66 50.85 -64.24 -40.89 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.05 0.00 0.00 0.00 48 R H H 119.75 3.80 19.53 23.60 92.03 50.41 -65.21 -40.92 0.39 0.00 99.60 0.05 0.02 0.23 99.65 0.05 0.00 0.00 0.00 49 I H H 39.73 13.05 15.81 29.71 92.07 50.09 -64.51 -41.94 0.27 0.00 99.73 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 50 I H H 78.19 5.27 19.15 25.14 91.60 50.63 -63.40 -41.73 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 51 E H H 103.81 2.23 20.94 22.01 91.92 50.53 -64.59 -41.21 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 52 L H H 51.91 8.93 17.68 27.88 92.22 50.02 -64.70 -42.03 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 53 V H H 45.94 10.32 17.07 28.46 92.11 49.78 -64.08 -41.86 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 54 E H H 101.57 2.56 20.48 22.31 91.83 50.32 -64.32 -41.22 0.33 0.00 99.67 0.05 0.02 0.19 99.70 0.04 0.00 0.00 0.00 55 E H H 94.72 3.69 19.79 23.58 92.14 49.67 -65.10 -41.10 0.45 0.00 99.55 0.06 0.03 0.26 99.59 0.06 0.00 0.00 0.00 56 I H H 49.42 11.14 16.70 28.81 92.24 49.94 -64.62 -42.00 0.37 0.00 99.63 0.06 0.02 0.21 99.65 0.06 0.00 0.00 0.00 57 E H H 86.29 5.47 18.95 25.22 91.79 50.61 -63.69 -41.40 0.31 0.00 99.69 0.06 0.02 0.16 99.71 0.05 0.00 0.00 0.00 58 E H H 105.22 2.18 20.61 21.71 92.03 50.06 -64.33 -41.80 0.41 0.00 99.59 0.06 0.02 0.24 99.62 0.07 0.00 0.00 0.00 59 L H H 61.80 6.67 17.80 25.70 92.05 49.65 -64.52 -41.62 0.48 0.00 99.51 0.06 0.03 0.29 99.54 0.08 0.00 0.00 0.00 60 A H H 32.80 8.08 16.40 26.18 91.85 51.05 -63.54 -41.78 0.58 0.00 99.41 0.11 0.04 0.30 99.46 0.09 0.00 0.00 0.00 61 R H H 129.94 2.27 19.69 21.26 91.92 49.96 -64.43 -41.43 0.83 0.00 99.17 0.14 0.06 0.46 99.23 0.11 0.00 0.00 0.00 62 E H H 97.80 3.00 18.46 21.49 92.09 49.74 -65.05 -40.92 1.04 0.00 98.96 0.18 0.08 0.58 99.04 0.12 0.00 0.00 0.00 63 Q H H 74.63 7.10 16.23 24.33 92.04 50.79 -65.24 -40.01 1.35 0.00 98.64 0.26 0.10 0.74 98.77 0.14 0.00 0.00 0.00 64 K H H 110.82 3.37 17.59 21.36 92.00 51.69 -64.24 -40.89 1.01 0.00 98.99 0.22 0.07 0.54 99.05 0.12 0.00 0.00 0.00 65 Y H H 123.12 1.99 17.68 18.91 91.95 50.19 -64.47 -41.80 0.53 0.00 99.47 0.10 0.04 0.28 99.48 0.10 0.00 0.00 0.00 66 L H H 74.19 4.24 15.92 21.24 92.16 50.54 -64.45 -41.76 0.42 0.00 99.58 0.07 0.03 0.23 99.57 0.10 0.00 0.00 0.00 67 V H H 62.60 4.78 14.73 20.71 92.03 49.68 -64.17 -41.74 0.47 0.00 99.53 0.07 0.03 0.27 99.52 0.12 0.00 0.00 0.00 68 E H H 102.79 1.77 15.41 16.81 91.63 50.51 -64.31 -40.90 0.81 0.00 99.19 0.11 0.05 0.50 99.13 0.21 0.00 0.00 0.00 69 E H H 100.24 2.17 13.45 16.16 91.88 50.56 -65.45 -39.53 2.10 0.00 97.90 0.26 0.15 1.45 97.52 0.62 0.00 0.00 0.00 70 L H H 88.57 4.14 10.90 16.36 92.39 51.30 -66.49 -36.69 5.54 0.01 94.45 0.66 0.42 4.03 93.59 1.28 0.00 0.00 0.00 71 K H H 146.03 1.65 10.84 13.12 92.63 53.15 -68.57 -30.38 19.74 0.04 80.22 2.44 1.49 14.99 79.68 1.35 0.01 0.01 0.03 72 R C H 173.62 1.09 10.05 11.46 96.13 54.92 -79.63 -11.44 50.61 0.13 49.26 18.66 1.23 27.82 50.99 1.16 0.00 0.04 0.10 73 Q C C 129.16 2.90 10.67 15.14 102.19 97.39 -70.42 58.28 99.94 0.01 0.05 99.71 0.07 0.17 0.04 0.00 0.00 0.00 0.00