# 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 M C C 92.53 8.03 13.45 22.43 109.55 -155.37 -85.99 114.54 99.81 0.04 0.15 99.71 0.07 0.07 0.12 0.00 0.00 0.01 0.01 1 S H H 72.97 2.80 13.85 17.29 95.52 60.71 -68.36 -33.73 48.75 0.59 50.66 36.09 1.18 10.07 50.34 1.79 0.00 0.23 0.30 2 Y H H 115.81 7.14 12.01 20.18 94.34 57.18 -68.49 -35.51 25.06 0.21 74.73 10.10 3.28 11.83 72.65 1.94 0.01 0.08 0.11 3 L H H 76.21 8.76 12.77 22.51 92.84 53.81 -66.09 -39.21 7.34 0.07 92.59 2.69 1.08 3.65 90.67 1.83 0.01 0.03 0.03 4 L H H 102.85 2.01 17.06 18.62 92.62 50.56 -65.35 -41.32 2.72 0.03 97.25 0.96 0.36 1.38 95.99 1.28 0.00 0.02 0.01 5 T H H 66.83 3.89 17.85 22.07 92.21 49.41 -65.22 -41.71 1.78 0.02 98.21 0.50 0.19 1.01 97.63 0.65 0.00 0.00 0.00 6 S H H 22.72 13.29 14.47 28.80 91.99 50.78 -64.38 -41.21 1.28 0.01 98.72 0.29 0.12 0.76 98.57 0.27 0.00 0.00 0.00 7 A H H 47.77 6.63 18.42 26.00 91.76 51.46 -63.99 -40.68 0.45 0.00 99.55 0.07 0.03 0.27 99.51 0.12 0.00 0.00 0.00 8 L H H 94.81 2.49 21.82 23.08 91.82 50.06 -64.50 -41.61 0.18 0.00 99.82 0.02 0.01 0.10 99.80 0.07 0.00 0.00 0.00 9 L H H 57.17 10.65 18.82 29.91 91.88 49.88 -64.58 -41.66 0.15 0.00 99.85 0.01 0.01 0.09 99.83 0.05 0.00 0.00 0.00 10 F H H 62.46 14.67 18.19 32.62 91.66 49.91 -63.95 -41.65 0.23 0.00 99.77 0.01 0.01 0.16 99.76 0.05 0.00 0.00 0.00 11 A H H 56.56 3.86 22.65 26.15 91.77 50.24 -64.11 -41.87 0.26 0.00 99.74 0.02 0.01 0.18 99.75 0.05 0.00 0.00 0.00 12 L H H 81.92 3.99 23.19 26.77 91.53 49.52 -64.48 -41.79 0.17 0.00 99.83 0.01 0.01 0.12 99.81 0.06 0.00 0.00 0.00 13 G H H 9.30 16.93 16.21 33.73 91.56 51.29 -63.60 -42.50 0.25 0.00 99.75 0.01 0.01 0.20 99.68 0.11 0.00 0.00 0.00 14 V H H 60.01 8.98 20.67 30.16 91.52 49.80 -63.76 -41.87 0.43 0.00 99.57 0.02 0.02 0.36 99.40 0.20 0.00 0.00 0.00 15 Y H H 129.07 2.17 23.64 24.08 91.72 49.28 -64.30 -41.94 0.76 0.00 99.24 0.04 0.04 0.67 98.73 0.52 0.00 0.00 0.00 16 G H H 15.35 10.46 16.33 28.53 91.81 51.51 -64.11 -41.15 2.40 0.00 97.59 0.10 0.10 2.23 96.06 1.51 0.00 0.00 0.00 17 V H H 39.19 15.10 14.09 29.32 92.19 51.29 -66.85 -36.98 6.22 0.01 93.77 0.19 0.31 5.84 91.04 2.59 0.01 0.00 0.01 18 L H H 108.45 3.51 17.78 21.63 93.00 50.50 -72.49 -26.22 18.02 0.04 81.94 0.90 1.61 15.52 79.39 2.49 0.04 0.01 0.03 19 T H H 91.56 2.29 16.98 18.96 97.80 46.38 -90.99 -13.97 48.26 0.30 51.44 7.58 8.55 32.02 48.66 2.80 0.04 0.09 0.25 20 R C C 91.23 12.38 9.97 22.54 109.70 97.42 -85.36 113.21 94.45 0.51 5.04 75.66 7.89 10.73 4.14 0.97 0.00 0.18 0.42 21 R C C 169.26 2.55 15.69 19.26 99.58 162.26 -97.43 -9.59 97.32 0.69 2.00 61.89 26.84 8.72 1.03 0.77 0.00 0.26 0.51 22 T C S 62.42 4.91 15.57 21.89 122.79 76.60 -105.73 146.64 95.55 3.00 1.44 44.63 49.33 1.10 1.20 0.21 0.00 0.40 3.13 23 A H H 60.34 8.16 14.02 23.35 92.66 -123.88 -60.85 -37.52 5.47 0.02 94.51 0.55 1.60 3.21 94.27 0.35 0.01 0.00 0.01 24 I H H 97.90 4.18 17.99 22.76 91.97 54.35 -64.10 -41.24 1.46 0.00 98.54 0.14 0.14 1.01 98.48 0.24 0.00 0.00 0.00 25 L H H 54.40 9.28 17.51 27.76 92.00 48.20 -66.05 -40.25 0.31 0.00 99.69 0.04 0.02 0.19 99.58 0.17 0.00 0.00 0.00 26 V H H 34.15 14.40 16.83 31.72 92.03 51.90 -62.93 -42.95 0.08 0.00 99.92 0.01 0.00 0.04 99.88 0.06 0.00 0.00 0.00 27 F H H 83.34 9.43 21.46 30.93 91.80 49.95 -64.14 -41.81 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 28 L H H 70.50 7.24 22.81 30.11 91.81 49.67 -64.80 -41.23 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 29 S H H 19.24 14.06 19.61 34.33 91.86 51.18 -63.87 -42.11 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 30 I H H 47.28 13.56 22.33 35.62 91.77 49.80 -63.94 -42.31 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 E H H 70.21 10.61 22.53 33.21 91.82 50.73 -63.95 -41.96 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 32 L H H 61.26 9.75 23.01 32.92 91.92 49.63 -64.59 -41.66 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 33 M H H 57.63 12.59 22.70 34.96 91.70 49.24 -63.99 -41.89 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.03 0.00 0.00 0.00 34 L H H 45.97 14.14 22.15 35.83 91.81 49.51 -64.12 -41.90 0.17 0.00 99.83 0.01 0.00 0.12 99.83 0.04 0.00 0.00 0.00 35 N H H 61.53 10.13 23.60 33.85 91.90 49.88 -64.98 -41.46 0.43 0.00 99.57 0.03 0.01 0.31 99.60 0.05 0.00 0.00 0.00 36 A H H 38.60 8.40 23.80 32.64 91.73 50.53 -64.12 -41.73 0.47 0.00 99.53 0.04 0.02 0.32 99.53 0.09 0.00 0.00 0.00 37 A H H 27.76 12.95 22.74 35.80 91.82 50.33 -64.09 -42.17 0.45 0.00 99.55 0.04 0.02 0.30 99.51 0.12 0.00 0.00 0.00 38 N H H 40.70 15.62 21.96 36.94 91.95 50.26 -64.01 -41.67 0.60 0.00 99.40 0.06 0.03 0.42 99.33 0.16 0.00 0.00 0.00 39 L H H 73.05 8.20 24.49 32.75 91.65 50.13 -64.24 -41.44 0.42 0.00 99.58 0.03 0.02 0.31 99.46 0.18 0.00 0.00 0.00 40 S H H 42.82 8.16 23.78 32.34 91.85 50.43 -64.34 -41.85 0.66 0.00 99.34 0.05 0.03 0.50 99.16 0.26 0.00 0.00 0.00 41 L H H 40.28 15.22 21.07 35.89 91.99 50.02 -64.59 -41.70 0.77 0.00 99.23 0.05 0.04 0.58 98.95 0.38 0.00 0.00 0.00 42 V H H 46.28 12.32 20.80 33.23 91.92 49.89 -64.01 -41.77 1.31 0.00 98.69 0.10 0.08 0.99 98.07 0.74 0.00 0.00 0.00 43 G H H 29.69 5.38 21.75 27.45 91.71 51.12 -63.93 -41.87 4.27 0.01 95.72 0.32 0.27 3.43 94.55 1.42 0.00 0.00 0.00 44 F H H 78.51 7.33 19.88 27.91 92.23 49.21 -65.95 -39.92 8.88 0.03 91.09 0.97 0.89 6.75 88.69 2.65 0.02 0.01 0.02 45 A H H 22.62 13.21 13.43 27.82 91.71 53.57 -64.36 -38.21 14.76 0.12 85.13 4.15 2.19 8.56 80.56 4.41 0.02 0.05 0.06 46 R H H 144.40 4.12 16.29 21.58 92.51 52.56 -66.89 -34.75 23.18 0.19 76.63 5.96 3.06 14.35 70.10 6.30 0.04 0.09 0.11 47 A H H 75.82 2.57 15.53 18.33 95.25 49.34 -76.01 -31.44 33.50 0.22 66.28 10.06 4.99 19.04 61.50 4.16 0.03 0.09 0.14 48 Y C H 134.47 4.70 12.96 18.90 103.00 29.60 -104.45 -7.85 57.76 0.34 41.90 22.02 12.34 23.39 39.08 2.81 0.01 0.11 0.25 49 G C C 39.89 3.68 15.19 19.93 122.39 -111.26 92.58 171.07 89.19 0.32 10.49 56.87 12.92 19.44 6.98 3.40 0.00 0.12 0.26 50 L C H 112.80 4.48 13.50 19.23 95.11 -46.82 -70.27 -23.78 54.26 0.47 45.27 21.98 12.64 20.95 35.59 8.30 0.02 0.18 0.34 51 D H H 94.05 3.36 17.40 21.27 95.08 62.98 -70.29 -23.33 43.27 0.39 56.34 18.30 6.76 18.78 48.25 7.47 0.02 0.17 0.25 52 G H H 12.24 15.51 12.64 28.59 92.80 58.11 -65.28 -35.53 22.61 0.17 77.22 11.87 3.33 7.92 71.07 5.64 0.01 0.07 0.08 53 Q H H 87.30 7.88 18.52 27.10 92.84 55.52 -64.42 -39.93 5.24 0.03 94.73 2.25 0.80 2.14 93.33 1.45 0.00 0.01 0.01 54 V H H 79.23 3.51 21.87 24.74 92.17 50.93 -64.72 -41.78 1.62 0.01 98.37 0.53 0.17 0.76 97.88 0.65 0.00 0.00 0.00 55 A H H 34.64 10.20 18.99 30.10 91.89 50.42 -64.49 -41.76 0.68 0.00 99.32 0.19 0.06 0.34 99.05 0.36 0.00 0.00 0.00 56 A H H 22.61 14.92 16.65 32.07 91.61 51.46 -63.22 -41.71 0.32 0.00 99.68 0.06 0.02 0.18 99.56 0.18 0.00 0.00 0.00 57 L H H 88.53 4.56 22.23 26.85 91.66 50.09 -64.08 -41.28 0.23 0.00 99.77 0.03 0.01 0.14 99.72 0.09 0.00 0.00 0.00 58 M H H 89.96 5.45 21.98 27.39 91.87 50.42 -64.63 -42.05 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 59 V H H 34.84 15.24 18.27 33.61 92.07 49.55 -64.44 -42.25 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 60 I H H 71.63 9.98 20.93 31.14 91.69 48.77 -63.91 -41.55 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 61 A H H 55.86 3.74 23.08 26.20 91.60 49.38 -63.99 -42.34 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 62 V H H 53.29 9.28 21.52 31.27 91.89 48.57 -64.81 -42.22 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 63 A H H 21.70 14.79 18.44 33.75 91.52 50.95 -63.01 -42.18 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 64 A H H 53.77 4.77 23.25 27.92 91.39 50.27 -63.64 -41.60 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 65 A H H 49.61 4.49 22.60 27.07 91.42 49.94 -63.97 -42.12 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 66 E H H 53.26 13.58 19.50 33.11 91.86 50.54 -64.66 -41.62 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 67 V H H 57.88 10.58 20.35 31.15 91.72 49.82 -63.54 -42.03 0.29 0.00 99.71 0.03 0.01 0.19 99.71 0.05 0.00 0.00 0.00 68 A H H 60.55 3.10 22.89 25.13 91.69 49.68 -64.37 -42.06 0.40 0.00 99.60 0.04 0.02 0.27 99.61 0.07 0.00 0.00 0.00 69 V H H 68.08 6.00 21.65 27.82 92.02 48.53 -64.93 -41.85 0.79 0.00 99.21 0.05 0.03 0.61 99.20 0.11 0.00 0.00 0.00 70 G H H 15.36 13.26 17.12 31.32 91.66 51.37 -63.47 -42.04 0.82 0.00 99.18 0.06 0.04 0.59 99.21 0.11 0.00 0.00 0.00 71 L H H 80.74 5.82 20.96 27.07 91.59 50.37 -63.71 -41.48 0.29 0.00 99.71 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 72 G H H 35.59 3.44 20.77 23.91 91.42 50.77 -63.97 -41.39 0.22 0.00 99.78 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 73 L H H 65.72 8.39 18.99 28.02 92.03 49.83 -65.01 -41.62 0.24 0.00 99.76 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 74 I H H 59.55 10.06 17.84 28.65 91.79 50.24 -64.02 -42.33 0.28 0.00 99.72 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 75 V H H 75.79 3.54 19.92 23.34 91.80 49.44 -64.05 -41.86 0.37 0.00 99.63 0.04 0.02 0.22 99.63 0.09 0.00 0.00 0.00 76 A H H 45.45 4.43 17.90 23.19 91.58 50.73 -63.64 -41.65 0.73 0.00 99.27 0.10 0.04 0.46 99.17 0.23 0.00 0.00 0.00 77 I H H 57.46 8.35 15.89 25.67 91.93 50.05 -64.42 -41.84 1.38 0.00 98.62 0.17 0.10 0.94 98.36 0.43 0.00 0.00 0.00 78 F H H 94.66 5.93 15.57 22.53 92.09 50.36 -64.60 -40.41 2.85 0.01 97.13 0.54 0.30 1.78 96.54 0.82 0.00 0.01 0.00 79 R H H 141.79 2.38 15.81 18.42 92.80 51.09 -66.82 -37.92 8.27 0.04 91.68 1.52 0.85 5.49 90.70 1.37 0.01 0.02 0.02 80 H H H 110.50 4.04 14.40 19.37 94.65 48.68 -72.93 -30.41 16.86 0.12 83.02 3.98 2.38 10.21 81.43 1.87 0.02 0.05 0.06 81 R H H 125.57 6.48 12.61 20.18 96.17 57.40 -74.58 -23.46 31.44 0.34 68.22 12.52 5.94 13.34 65.54 2.33 0.02 0.13 0.19 82 E H H 131.04 2.99 13.38 17.38 98.25 65.00 -76.76 -14.22 49.76 0.44 49.80 22.69 7.96 18.42 47.79 2.71 0.01 0.17 0.24 83 S C H 66.35 4.24 12.03 17.65 105.85 63.45 -90.21 8.27 61.14 0.69 38.17 32.54 11.76 16.48 34.78 3.77 0.01 0.27 0.39 84 T C H 81.61 5.28 11.54 18.18 104.12 94.08 -83.54 8.34 63.44 0.76 35.79 32.09 16.19 14.55 32.63 3.82 0.01 0.29 0.43 85 A C C 60.85 4.12 13.25 18.70 104.66 88.04 -80.76 19.91 61.84 0.79 37.37 41.30 9.86 9.96 34.24 3.91 0.00 0.34 0.40 86 V H H 78.75 6.08 11.54 19.07 95.50 74.82 -67.29 -37.00 32.02 0.51 67.46 17.23 6.58 9.47 59.69 6.53 0.02 0.25 0.23 87 D H H 92.86 2.58 13.92 17.07 93.80 52.57 -67.44 -36.57 29.67 0.36 69.97 14.75 5.09 10.56 62.67 6.57 0.01 0.18 0.16 88 D H H 79.76 3.56 13.18 17.82 94.53 51.70 -69.96 -33.96 25.02 0.36 74.63 13.65 4.23 8.02 65.78 7.97 0.01 0.19 0.15 89 L H H 79.09 5.20 10.94 17.85 93.81 54.45 -66.48 -38.13 17.23 0.24 82.53 7.46 3.17 7.30 72.77 9.05 0.02 0.13 0.10 90 S H H 68.75 2.47 11.99 15.44 94.03 53.25 -66.95 -35.86 19.87 0.28 79.85 7.73 3.28 9.32 69.07 10.30 0.03 0.16 0.12 91 E H H 129.62 1.75 11.31 13.70 94.43 53.92 -69.83 -33.35 24.80 0.42 74.79 8.71 4.19 12.31 63.21 11.11 0.05 0.23 0.19 92 L H H 110.89 3.35 9.25 14.13 97.14 56.50 -76.32 -21.25 36.67 0.98 62.35 15.69 6.40 16.60 53.41 6.86 0.07 0.49 0.48 93 R C C 168.89 2.11 9.41 12.92 101.23 66.67 -83.20 8.07 62.68 0.72 36.60 39.18 2.35 20.46 34.82 2.45 0.00 0.31 0.42 94 G C C 52.20 2.93 12.35 16.57 109.14 -79.00 76.06 6.20 99.97 0.01 0.02 99.74 0.09 0.16 0.01 0.00 0.00 0.01 0.00