# 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 A C C 64.05 7.59 17.73 25.80 113.95 -136.72 -87.11 130.00 99.92 0.05 0.03 99.82 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 L C C 40.35 17.26 9.31 25.67 116.66 -125.73 -87.92 136.56 97.69 0.70 1.61 96.20 0.95 0.63 1.45 0.12 0.00 0.21 0.44 2 T C C 69.85 2.71 16.59 19.34 120.80 -127.17 -80.69 162.94 96.85 0.59 2.57 93.45 2.57 0.71 2.54 0.19 0.00 0.17 0.37 3 A H H 71.60 5.06 11.93 18.85 92.31 -108.41 -59.34 -39.03 4.47 0.01 95.51 1.48 1.00 1.81 95.20 0.48 0.00 0.00 0.01 4 E H H 131.52 1.21 15.81 16.02 92.11 51.88 -64.94 -40.36 2.25 0.01 97.74 0.53 0.30 1.22 97.45 0.50 0.00 0.00 0.00 5 Q H H 72.80 7.18 14.83 23.54 92.20 48.68 -65.92 -39.78 1.30 0.01 98.69 0.43 0.15 0.64 98.25 0.53 0.00 0.00 0.00 6 K H H 52.70 16.30 13.22 29.17 91.58 52.31 -62.62 -41.91 0.66 0.00 99.33 0.20 0.06 0.30 99.25 0.18 0.00 0.00 0.00 7 K H H 116.04 4.28 19.25 24.35 91.36 50.71 -64.19 -40.46 0.50 0.00 99.50 0.10 0.04 0.24 99.53 0.09 0.00 0.00 0.00 8 E H H 108.23 2.14 21.90 22.59 91.90 49.58 -64.66 -41.79 0.68 0.00 99.32 0.12 0.05 0.37 99.34 0.11 0.00 0.00 0.00 9 I H H 17.90 15.69 17.13 33.70 92.05 49.10 -64.33 -43.45 1.11 0.01 98.88 0.16 0.09 0.69 98.88 0.17 0.00 0.00 0.00 10 L H H 20.98 18.90 15.16 34.03 91.78 49.75 -64.14 -40.52 1.48 0.01 98.52 0.22 0.14 0.96 98.04 0.64 0.00 0.00 0.00 11 G H H 45.71 3.35 19.67 23.34 92.40 54.31 -64.48 -38.19 4.95 0.01 95.04 0.38 0.26 4.11 91.14 4.09 0.01 0.00 0.00 12 Q H H 120.08 2.90 20.09 23.08 92.76 48.86 -69.84 -33.76 11.41 0.02 88.58 0.46 0.61 10.34 84.95 3.61 0.02 0.01 0.01 13 Y H H 58.19 15.80 15.04 30.62 99.55 32.16 -103.69 -7.68 29.77 0.10 70.13 1.51 3.64 24.92 66.95 2.78 0.07 0.03 0.09 14 G C T 22.34 10.77 18.04 29.57 117.82 -113.89 80.27 146.20 97.06 0.32 2.62 40.93 8.15 48.44 1.26 0.88 0.00 0.13 0.20 15 L C C 65.79 14.65 13.73 28.01 99.74 -143.63 -86.97 -16.74 96.97 1.17 1.86 72.27 21.02 3.40 0.70 1.05 0.00 0.41 1.15 16 H C C 98.08 3.69 18.69 22.61 133.55 36.88 -131.55 165.95 93.63 4.90 1.47 55.89 32.84 3.30 0.45 0.92 0.00 0.96 5.63 17 D C T 120.90 2.73 13.12 17.77 91.58 -95.52 -63.03 -25.05 99.08 0.12 0.80 0.64 8.48 90.02 0.05 0.68 0.00 0.06 0.06 18 T C T 111.48 1.23 15.55 16.21 94.91 52.42 -91.78 -0.96 99.42 0.12 0.47 1.44 6.74 91.22 0.05 0.43 0.00 0.07 0.04 19 D C C 41.99 14.64 9.62 24.42 108.95 110.96 -82.27 112.63 96.52 3.25 0.22 82.45 12.67 0.62 0.08 0.14 0.00 0.90 3.15 20 T C C 88.94 5.33 17.79 24.32 100.25 171.48 -97.08 -0.27 98.89 0.71 0.41 62.20 11.02 25.62 0.10 0.29 0.00 0.33 0.44 21 G C S 32.16 11.97 17.09 28.85 98.82 57.25 -68.55 2.45 98.93 0.63 0.44 32.18 39.92 26.87 0.12 0.30 0.00 0.25 0.36 22 S C C 37.43 9.05 20.27 30.19 116.84 130.94 -75.85 143.63 99.34 0.31 0.35 83.00 16.04 0.15 0.34 0.04 0.00 0.05 0.38 23 P H H 43.67 15.83 18.41 34.16 92.60 -131.61 -60.12 -36.73 1.84 0.00 98.16 0.25 0.25 1.08 98.23 0.19 0.00 0.00 0.00 24 E H H 87.57 11.03 23.07 33.81 91.76 54.53 -64.08 -40.40 0.55 0.00 99.45 0.05 0.04 0.37 99.41 0.14 0.00 0.00 0.00 25 A H H 15.70 14.44 21.64 36.66 91.89 49.92 -64.90 -41.90 0.09 0.00 99.91 0.01 0.01 0.05 99.85 0.08 0.00 0.00 0.00 26 Q H H 40.53 16.88 24.02 39.90 91.98 50.63 -64.07 -42.58 0.05 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 27 V H H 18.46 18.78 23.75 41.92 91.56 50.09 -63.82 -43.25 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 28 A H H 25.11 11.43 25.19 37.45 91.49 50.45 -63.62 -42.36 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 29 L H H 35.25 13.26 24.81 38.29 91.69 49.65 -64.20 -42.46 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 30 L H H 18.50 19.76 22.75 41.97 91.94 49.90 -64.56 -42.30 0.18 0.00 99.82 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 31 T H H 31.71 14.91 22.53 37.02 92.04 50.86 -64.08 -41.86 0.28 0.00 99.72 0.03 0.01 0.16 99.79 0.02 0.00 0.00 0.00 32 K H H 96.43 6.11 25.06 31.41 91.69 50.14 -64.60 -41.49 0.21 0.00 99.79 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 33 R H H 74.22 12.36 22.62 34.71 92.00 49.87 -64.58 -41.58 0.31 0.00 99.69 0.04 0.01 0.16 99.76 0.03 0.00 0.00 0.00 34 I H H 15.41 20.32 18.41 38.59 91.76 49.94 -64.12 -42.34 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 35 Q H H 86.41 6.57 23.00 29.78 91.48 50.82 -63.58 -41.45 0.33 0.00 99.67 0.03 0.02 0.21 99.71 0.04 0.00 0.00 0.00 36 D H H 70.66 4.35 23.05 27.30 91.77 49.80 -65.09 -40.29 0.81 0.00 99.19 0.05 0.03 0.57 99.28 0.07 0.00 0.00 0.00 37 L H H 18.17 17.43 17.22 34.98 92.08 51.02 -65.25 -40.99 0.74 0.00 99.26 0.06 0.04 0.50 99.30 0.11 0.00 0.00 0.00 38 T H H 38.42 11.96 18.15 30.83 91.66 52.38 -63.36 -41.33 0.51 0.00 99.49 0.05 0.03 0.33 99.44 0.15 0.00 0.00 0.00 39 E H H 105.42 1.94 22.00 22.13 91.85 50.40 -64.22 -41.44 0.78 0.00 99.22 0.07 0.04 0.57 98.95 0.37 0.00 0.00 0.00 40 H H H 62.32 7.61 17.09 26.29 92.19 49.26 -65.65 -39.85 1.28 0.00 98.72 0.09 0.07 1.04 97.96 0.85 0.00 0.00 0.00 41 L H H 29.70 15.58 11.51 27.47 91.92 52.53 -66.03 -34.65 2.31 0.00 97.69 0.16 0.15 1.89 96.06 1.74 0.00 0.00 0.00 42 K H H 142.26 2.24 16.00 18.79 92.38 53.09 -67.65 -33.41 10.07 0.00 89.92 0.37 0.46 9.17 88.46 1.53 0.01 0.00 0.00 43 V H H 109.61 1.34 15.28 15.84 97.20 42.24 -81.38 -31.67 19.30 0.02 80.68 0.71 2.10 16.06 80.10 0.98 0.02 0.01 0.02 44 H C C 85.96 7.59 10.20 19.24 110.14 35.70 -117.82 82.12 86.44 0.31 13.26 51.09 19.61 14.65 12.77 1.45 0.00 0.08 0.36 45 K C T 145.87 3.32 13.13 18.28 100.73 -167.94 -63.45 -7.51 97.02 0.14 2.84 14.06 11.20 71.87 1.12 1.58 0.00 0.07 0.10 46 H C T 137.36 3.54 13.70 18.32 98.50 40.92 -85.74 36.18 97.16 0.15 2.68 10.77 15.69 70.77 0.86 1.73 0.00 0.07 0.10 47 D C C 53.10 9.12 10.67 21.56 108.07 151.56 -94.83 102.77 95.47 0.32 4.20 87.40 6.47 1.98 2.56 1.16 0.00 0.09 0.35 48 H H H 127.13 3.39 14.48 19.47 94.41 -172.08 -67.62 -31.85 31.34 0.14 68.52 9.27 5.29 16.93 59.76 8.58 0.01 0.05 0.10 49 H H H 119.93 2.59 17.15 19.64 92.57 56.33 -67.18 -35.66 23.34 0.09 76.57 4.70 3.00 15.15 69.25 7.79 0.02 0.04 0.06 50 S H H 23.00 12.59 13.27 27.05 92.47 54.11 -65.61 -38.16 12.87 0.09 87.04 5.46 1.77 5.40 80.33 6.95 0.00 0.05 0.04 51 R H H 106.00 9.75 17.21 27.38 91.97 53.81 -63.51 -40.57 4.52 0.03 95.45 1.91 0.71 1.92 93.67 1.76 0.00 0.01 0.01 52 R H H 141.77 1.85 21.77 22.19 91.72 50.97 -64.48 -41.69 1.27 0.00 98.72 0.30 0.15 0.66 98.46 0.42 0.00 0.00 0.00 53 G H H 22.14 7.93 18.80 28.05 91.83 50.49 -64.10 -41.81 0.99 0.00 99.01 0.20 0.09 0.56 98.84 0.31 0.00 0.00 0.00 54 L H H 24.56 18.03 15.85 33.78 92.00 50.55 -64.30 -41.59 0.45 0.00 99.55 0.08 0.03 0.25 99.45 0.19 0.00 0.00 0.00 55 L H H 88.60 5.20 21.37 27.02 91.55 50.90 -64.03 -40.92 0.26 0.00 99.74 0.04 0.02 0.15 99.70 0.10 0.00 0.00 0.00 56 L H H 90.58 2.90 22.56 24.27 91.83 49.67 -64.70 -41.49 0.37 0.00 99.63 0.03 0.02 0.24 99.60 0.11 0.00 0.00 0.00 57 L H H 27.25 14.91 18.19 33.66 91.70 49.49 -64.71 -42.19 0.55 0.00 99.45 0.05 0.02 0.40 99.42 0.11 0.00 0.00 0.00 58 V H H 32.55 14.42 18.56 33.34 91.59 50.52 -63.75 -42.22 0.45 0.00 99.55 0.05 0.02 0.29 99.55 0.08 0.00 0.00 0.00 59 G H H 33.52 2.89 22.33 24.54 91.27 51.05 -63.02 -42.08 0.85 0.00 99.15 0.07 0.04 0.60 99.20 0.09 0.00 0.00 0.00 60 R H H 102.16 6.61 21.73 28.66 91.65 49.32 -64.84 -41.15 0.49 0.00 99.51 0.05 0.02 0.31 99.54 0.07 0.00 0.00 0.00 61 R H H 39.39 18.54 17.20 35.18 91.88 50.89 -63.78 -41.58 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 62 R H H 113.74 7.50 21.34 29.36 91.51 51.68 -63.28 -40.93 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 63 R H H 128.14 2.45 23.79 24.98 91.59 50.43 -64.25 -41.66 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 64 L H H 24.28 15.55 19.30 35.27 91.69 49.95 -64.43 -42.39 0.19 0.00 99.81 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 65 L H H 25.26 17.61 17.87 35.39 91.49 51.72 -63.16 -41.09 0.28 0.00 99.72 0.02 0.01 0.19 99.65 0.13 0.00 0.00 0.00 66 K H H 118.16 2.59 23.52 25.28 91.51 51.09 -63.82 -40.84 0.78 0.00 99.22 0.04 0.03 0.64 98.87 0.42 0.00 0.00 0.00 67 Y H H 78.30 6.92 20.43 28.40 91.84 50.30 -64.31 -41.89 1.28 0.00 98.72 0.09 0.07 1.01 97.87 0.95 0.00 0.00 0.00 68 V H H 10.94 19.71 14.06 34.05 92.08 49.99 -65.43 -40.06 2.13 0.00 97.87 0.18 0.15 1.60 96.20 1.85 0.00 0.00 0.00 69 A H H 47.64 10.05 15.66 26.68 91.21 56.36 -66.20 -28.95 13.61 0.01 86.38 0.52 0.50 12.45 84.39 2.12 0.00 0.00 0.00 70 Q H H 135.60 1.37 18.93 19.10 93.13 52.19 -76.25 -19.96 32.42 0.03 67.55 1.05 1.62 29.07 66.57 1.65 0.01 0.01 0.02 71 V C H 64.72 9.70 13.34 23.84 104.42 51.78 -92.77 -28.00 63.62 0.31 36.07 7.65 34.55 17.93 38.59 0.92 0.01 0.06 0.30 72 D C C 77.34 5.33 16.69 22.96 110.75 -31.69 -113.01 101.25 98.25 0.22 1.54 96.02 1.32 0.98 1.35 0.11 0.00 0.06 0.15 73 V H H 67.88 11.44 11.91 24.28 94.23 -165.16 -62.84 -36.95 1.67 0.00 98.33 0.36 0.17 0.86 98.30 0.30 0.00 0.00 0.00 74 A H H 76.32 1.49 18.85 19.09 91.62 53.44 -63.74 -41.11 0.71 0.00 99.29 0.05 0.04 0.53 99.05 0.32 0.00 0.00 0.00 75 R H H 108.52 5.26 18.36 24.40 92.02 48.07 -66.01 -40.43 0.29 0.00 99.71 0.03 0.02 0.20 99.41 0.35 0.00 0.00 0.00 76 Y H H 18.93 19.99 13.32 33.30 91.83 51.18 -62.98 -43.24 0.11 0.00 99.89 0.01 0.00 0.06 99.82 0.10 0.00 0.00 0.00 77 R H H 111.38 6.78 20.03 27.59 91.34 51.20 -62.96 -41.36 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 78 S H H 53.88 2.33 21.71 22.82 91.48 50.49 -63.60 -42.34 0.18 0.00 99.82 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 79 L H H 20.08 14.52 17.32 33.04 91.81 50.00 -64.10 -43.04 0.19 0.00 99.81 0.01 0.01 0.11 99.81 0.05 0.00 0.00 0.00 80 I H H 19.49 17.53 14.64 32.62 91.84 49.91 -63.90 -42.89 0.29 0.00 99.71 0.03 0.01 0.17 99.67 0.11 0.00 0.00 0.00 81 E H H 130.53 1.88 18.73 20.29 91.75 49.30 -64.26 -40.95 0.74 0.00 99.26 0.05 0.03 0.54 99.06 0.31 0.00 0.00 0.00 82 R H H 146.97 2.86 17.23 20.57 91.57 50.87 -65.96 -34.43 3.90 0.00 96.10 0.12 0.14 3.59 95.76 0.39 0.00 0.00 0.00 83 L H H 40.43 15.12 12.18 27.63 93.77 48.29 -86.32 -7.47 44.18 0.03 55.79 0.59 1.53 41.17 55.76 0.90 0.01 0.01 0.03 84 G C T 51.09 2.46 19.41 21.63 96.73 -116.39 74.36 20.64 98.14 0.05 1.81 6.74 3.17 88.47 1.29 0.29 0.00 0.02 0.02 85 L C C 43.71 16.67 8.61 24.33 111.53 145.14 -89.00 121.19 95.20 0.82 3.97 79.69 8.02 7.74 1.93 1.73 0.00 0.40 0.51 86 R C C 154.13 3.31 14.21 19.03 116.54 -161.54 -98.34 139.11 95.19 1.90 2.91 89.03 1.68 5.09 1.34 0.95 0.00 0.92 0.99 87 R C C 155.33 5.43 13.53 20.80 109.87 -113.94 -77.75 129.45 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00