# 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 80.61 9.68 11.05 21.75 114.40 -127.14 -84.06 139.51 99.98 0.01 0.00 99.93 0.05 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 73.83 3.95 12.52 17.95 113.38 -109.05 -67.29 154.56 78.95 0.33 20.72 75.78 0.48 2.59 20.37 0.50 0.00 0.10 0.18 2 L H H 117.89 2.44 11.74 15.29 93.42 -107.25 -61.17 -36.39 12.87 0.08 87.04 5.64 2.27 5.41 84.65 1.95 0.01 0.03 0.05 3 V H H 73.43 6.20 11.91 19.57 92.43 53.24 -65.46 -39.20 6.74 0.05 93.20 2.38 0.96 3.42 90.80 2.38 0.01 0.03 0.02 4 Y H H 105.69 6.51 13.25 21.23 92.31 50.75 -65.69 -39.91 4.30 0.05 95.65 1.71 0.57 2.09 92.80 2.78 0.00 0.03 0.02 5 M H H 102.08 2.53 16.16 18.72 92.12 50.90 -64.57 -41.18 2.45 0.02 97.53 0.94 0.30 1.16 96.76 0.81 0.00 0.01 0.01 6 N H H 73.19 5.01 16.63 22.45 92.27 50.37 -65.07 -40.73 1.51 0.01 98.48 0.49 0.13 0.73 98.37 0.27 0.00 0.00 0.00 7 I H H 47.15 12.18 15.05 28.01 92.07 50.23 -64.89 -41.90 0.63 0.00 99.37 0.10 0.04 0.37 99.34 0.15 0.00 0.00 0.00 8 I H H 81.75 5.85 18.81 25.36 91.85 49.73 -64.24 -41.43 0.37 0.00 99.63 0.05 0.02 0.22 99.62 0.10 0.00 0.00 0.00 9 M H H 99.90 3.02 21.05 23.04 91.76 49.71 -64.44 -42.01 0.18 0.00 99.82 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 10 A H H 32.27 10.41 17.59 29.12 91.48 50.31 -64.21 -42.09 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 11 F H H 67.88 12.73 18.13 30.97 91.95 49.50 -64.58 -41.27 0.13 0.00 99.87 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 12 A H H 54.87 4.42 21.58 25.54 91.58 50.47 -63.96 -41.84 0.15 0.00 99.85 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 13 I H H 83.97 4.83 22.16 26.73 91.57 49.57 -64.44 -41.98 0.17 0.00 99.83 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 14 A H H 19.31 15.52 16.50 32.64 91.68 50.91 -63.70 -42.09 0.22 0.00 99.78 0.01 0.01 0.16 99.74 0.09 0.00 0.00 0.00 15 L H H 71.28 8.13 20.60 29.29 91.67 49.99 -63.80 -41.41 0.28 0.00 99.72 0.02 0.01 0.22 99.59 0.17 0.00 0.00 0.00 16 A H H 55.68 3.48 21.85 24.12 91.54 50.69 -63.80 -41.96 0.43 0.00 99.57 0.02 0.02 0.35 99.25 0.36 0.00 0.00 0.00 17 G H H 17.41 9.77 16.51 28.05 91.79 51.14 -63.75 -41.15 1.16 0.00 98.84 0.05 0.05 1.01 97.87 1.02 0.00 0.00 0.00 18 L H H 51.19 13.11 14.89 28.42 91.85 51.94 -65.03 -38.45 2.31 0.00 97.69 0.08 0.10 2.15 95.36 2.32 0.00 0.00 0.00 19 L H H 104.75 3.25 18.08 21.45 92.43 51.70 -69.01 -30.72 8.05 0.01 91.94 0.27 0.41 7.42 88.79 3.09 0.01 0.00 0.00 20 M H H 113.99 3.03 16.54 19.64 95.31 52.13 -79.35 -23.15 29.77 0.14 70.09 2.27 3.09 24.44 66.56 3.42 0.07 0.05 0.10 21 Y C T 81.03 11.95 10.40 22.74 104.63 62.77 -94.00 65.29 68.17 1.19 30.64 27.81 10.12 31.14 25.43 4.20 0.03 0.41 0.85 22 R C T 148.66 4.92 13.26 19.84 97.72 156.42 -69.33 -25.54 89.59 0.85 9.56 22.57 9.80 57.78 5.83 3.10 0.01 0.39 0.52 23 S C T 87.83 1.85 15.18 16.87 98.69 45.03 -90.17 -15.87 91.87 0.36 7.76 8.75 26.49 57.55 2.96 3.84 0.00 0.18 0.23 24 H C C 88.83 6.08 12.91 20.74 116.35 50.18 -122.75 114.36 93.04 2.55 4.41 60.13 29.76 2.75 3.05 1.20 0.00 0.61 2.49 25 L H H 99.05 6.15 13.70 21.54 93.41 -149.67 -61.91 -37.81 5.44 0.02 94.55 0.99 1.18 3.18 93.87 0.76 0.01 0.00 0.01 26 M H H 108.92 3.61 18.02 22.07 91.94 53.57 -64.13 -40.29 2.32 0.00 97.67 0.24 0.20 1.69 97.21 0.65 0.00 0.00 0.00 27 S H H 30.20 9.13 16.97 27.66 91.70 49.60 -65.41 -40.28 0.60 0.00 99.40 0.09 0.04 0.38 98.96 0.53 0.00 0.00 0.00 28 S H H 21.37 13.90 16.26 31.07 91.67 53.13 -63.23 -41.97 0.19 0.00 99.81 0.03 0.01 0.10 99.71 0.15 0.00 0.00 0.00 29 L H H 70.66 8.05 21.53 29.78 91.91 50.42 -64.30 -41.36 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.07 0.00 0.00 0.00 30 L H H 76.33 6.33 22.43 29.08 91.68 50.20 -64.44 -41.55 0.13 0.00 99.87 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 31 C H H 28.65 13.10 19.29 33.08 91.87 50.79 -63.75 -42.41 0.24 0.00 99.76 0.02 0.00 0.17 99.75 0.04 0.00 0.00 0.00 32 L H H 54.48 11.32 21.68 33.14 91.85 50.01 -64.03 -42.11 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 33 E H H 78.04 7.52 22.46 30.26 91.66 51.07 -63.99 -42.02 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 34 G H H 22.72 9.33 20.41 30.72 91.79 50.91 -63.97 -41.32 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 35 M H H 64.72 10.67 20.99 31.88 91.92 50.15 -64.70 -41.38 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 36 M H H 72.64 8.95 21.48 30.64 91.93 50.03 -64.15 -41.87 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 37 L H H 70.18 7.83 21.39 29.65 92.10 50.03 -64.87 -41.18 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 38 S H H 33.18 9.77 19.19 30.02 92.07 51.82 -63.82 -41.55 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 39 L H H 68.58 8.09 20.78 29.17 91.80 50.68 -64.43 -41.18 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 40 F H H 89.52 7.78 20.49 28.63 92.17 50.19 -64.70 -42.02 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 41 I H H 64.97 8.79 19.75 29.15 92.08 49.97 -64.43 -41.89 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.06 0.00 0.00 0.00 42 M H H 74.74 8.09 20.02 28.59 91.86 50.52 -64.46 -41.39 0.25 0.00 99.75 0.01 0.01 0.19 99.66 0.13 0.00 0.00 0.00 43 S H H 42.98 7.38 19.23 27.51 91.94 50.75 -64.56 -41.12 0.67 0.00 99.33 0.03 0.02 0.55 99.11 0.28 0.00 0.00 0.00 44 T H H 51.54 8.13 18.37 27.30 92.30 50.79 -65.16 -40.74 1.47 0.00 98.53 0.07 0.07 1.21 98.08 0.57 0.00 0.00 0.00 45 L H H 62.50 7.72 17.96 26.64 91.90 50.79 -64.84 -40.91 2.60 0.01 97.39 0.17 0.17 2.10 96.28 1.26 0.00 0.00 0.00 46 I H H 70.10 6.30 17.21 24.37 92.35 50.27 -65.24 -40.66 5.75 0.03 94.22 0.46 0.48 4.65 91.70 2.68 0.02 0.01 0.01 47 I H H 67.71 6.61 14.80 22.98 92.63 49.94 -67.15 -38.11 11.45 0.08 88.46 1.41 1.29 8.65 84.34 4.19 0.04 0.04 0.04 48 L H H 86.36 6.30 13.84 21.10 93.08 52.83 -69.17 -32.14 22.94 0.24 76.82 3.77 3.04 16.54 71.48 4.82 0.09 0.11 0.14 49 N H H 101.89 3.76 13.67 18.24 97.59 49.81 -83.08 -17.20 42.85 0.41 56.74 7.06 6.97 29.42 51.93 4.09 0.09 0.17 0.27 50 T C T 79.95 4.24 11.90 17.42 104.79 46.07 -97.28 -1.25 71.27 0.79 27.94 16.26 20.13 35.12 23.84 3.79 0.03 0.28 0.55 51 H C C 149.24 2.41 12.73 16.30 98.77 -120.19 -17.65 27.55 89.38 0.83 9.79 42.94 15.43 31.52 6.29 2.95 0.00 0.37 0.49 52 F C C 110.95 6.39 10.81 18.79 108.33 141.02 -90.24 96.22 87.87 1.44 10.69 64.19 13.14 10.32 6.94 3.82 0.00 0.67 0.91 53 T C C 79.87 4.98 13.64 19.83 107.69 -163.52 -85.01 -2.09 76.96 1.79 21.26 50.10 13.50 13.16 13.58 7.75 0.00 0.82 1.09 54 L H H 91.69 6.37 13.82 21.26 95.78 65.48 -69.02 -29.05 44.32 0.93 54.74 19.17 8.93 16.02 31.11 23.79 0.03 0.43 0.53 55 A H G 49.91 8.04 13.78 23.08 94.36 59.48 -68.48 -30.22 27.17 0.34 72.50 6.40 3.88 14.92 35.22 39.21 0.02 0.18 0.16 56 N H G 86.36 6.56 15.95 23.43 94.27 58.39 -75.66 -18.72 28.84 0.22 70.94 4.45 3.34 18.34 33.72 39.89 0.02 0.11 0.13 57 M H H 79.79 8.94 15.83 25.24 94.39 56.66 -76.56 -22.44 24.09 0.17 75.74 3.87 3.16 15.51 52.17 25.06 0.04 0.07 0.11 58 M H H 75.38 8.49 16.53 26.21 92.63 68.95 -62.45 -42.14 5.81 0.02 94.17 2.27 1.19 2.33 93.11 1.09 0.00 0.01 0.01 59 P H H 53.83 7.82 17.43 26.14 91.93 51.92 -64.42 -39.87 2.06 0.01 97.93 0.68 0.15 1.02 97.42 0.72 0.00 0.00 0.00 60 I H H 77.77 6.66 19.29 26.27 92.08 50.42 -64.83 -41.73 0.43 0.00 99.57 0.08 0.03 0.26 99.16 0.48 0.00 0.00 0.00 61 I H H 65.81 9.12 18.71 28.16 92.00 50.21 -64.35 -42.08 0.19 0.00 99.81 0.03 0.01 0.12 99.69 0.16 0.00 0.00 0.00 62 L H H 64.84 9.51 18.81 28.94 91.70 50.22 -64.53 -41.44 0.13 0.00 99.87 0.01 0.01 0.08 99.84 0.06 0.00 0.00 0.00 63 L H H 77.01 7.08 20.17 27.52 92.05 49.80 -64.67 -41.24 0.14 0.00 99.86 0.02 0.01 0.08 99.85 0.05 0.00 0.00 0.00 64 V H H 60.94 7.71 20.67 28.28 91.90 49.36 -64.67 -42.40 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.03 0.00 0.00 0.00 65 F H H 79.99 9.52 20.68 30.54 91.81 48.87 -64.66 -41.98 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 66 A H H 37.36 9.17 19.73 29.35 91.37 50.91 -63.34 -41.79 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 67 A H H 48.87 6.08 22.06 28.09 91.78 50.08 -64.40 -41.64 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.04 0.00 0.00 0.00 68 C H H 46.39 8.61 20.84 29.50 91.86 49.08 -64.64 -42.28 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 69 E H H 71.93 9.94 20.86 31.01 91.82 50.17 -64.19 -41.67 0.23 0.00 99.77 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 70 A H H 45.08 7.98 20.66 28.66 91.83 50.26 -63.67 -41.82 0.36 0.00 99.64 0.03 0.01 0.24 99.64 0.08 0.00 0.00 0.00 71 A H H 48.85 6.12 21.58 27.64 92.00 50.42 -64.34 -41.81 0.76 0.00 99.24 0.05 0.03 0.57 99.21 0.14 0.00 0.00 0.00 72 L H H 71.16 7.89 21.08 28.99 91.82 49.39 -64.95 -41.41 1.79 0.00 98.21 0.11 0.08 1.46 98.13 0.22 0.00 0.00 0.00 73 G H H 22.50 9.43 18.80 28.96 91.78 51.34 -63.16 -42.11 1.78 0.00 98.22 0.14 0.09 1.31 98.24 0.21 0.00 0.00 0.00 74 L H H 79.80 5.89 20.88 26.97 91.93 50.03 -64.56 -41.38 0.65 0.00 99.34 0.08 0.03 0.41 99.28 0.20 0.00 0.00 0.00 75 S H H 45.09 6.76 19.74 26.57 91.80 51.11 -64.31 -41.97 0.45 0.00 99.55 0.05 0.02 0.29 99.46 0.19 0.00 0.00 0.00 76 L H H 69.90 7.73 19.38 27.71 91.65 49.99 -64.66 -41.46 0.40 0.00 99.60 0.04 0.02 0.26 99.51 0.18 0.00 0.00 0.00 77 L H H 70.57 8.05 18.43 26.91 91.77 50.63 -64.13 -41.80 0.41 0.00 99.59 0.05 0.02 0.25 99.49 0.18 0.00 0.00 0.00 78 V H H 70.72 5.09 18.86 24.57 91.87 49.81 -64.25 -41.83 0.74 0.00 99.26 0.08 0.04 0.49 99.12 0.26 0.00 0.00 0.00 79 M H H 81.06 5.72 17.88 23.97 91.80 50.26 -64.76 -41.53 1.92 0.01 98.08 0.22 0.13 1.38 97.75 0.52 0.00 0.01 0.00 80 V H H 55.52 6.89 15.84 24.07 92.21 48.79 -65.13 -41.36 4.53 0.05 95.43 0.69 0.52 3.10 94.70 0.94 0.01 0.02 0.02 81 S H H 48.97 6.87 13.98 22.14 92.63 51.50 -66.02 -37.99 8.37 0.12 91.51 2.07 1.22 5.11 89.79 1.67 0.03 0.05 0.05 82 N H H 101.67 3.60 14.66 18.89 94.95 48.91 -73.81 -31.99 14.43 0.13 85.44 2.20 1.84 10.58 82.59 2.60 0.06 0.06 0.07 83 T H H 88.76 2.94 14.61 18.11 100.15 38.79 -87.04 -33.72 21.71 0.19 78.11 2.79 3.35 16.00 75.26 2.32 0.09 0.08 0.11 84 Y H H 143.42 3.63 13.22 17.70 104.09 27.22 -104.43 -5.63 38.04 0.63 61.33 7.69 11.52 20.34 57.84 1.87 0.12 0.20 0.42 85 G C C 34.42 5.88 13.40 20.72 119.09 -123.41 89.66 164.33 88.41 0.76 10.83 56.09 12.69 19.37 8.33 2.74 0.00 0.35 0.44 86 T C C 80.15 6.33 13.11 20.65 105.27 -61.96 -83.07 24.19 70.87 1.49 27.64 45.69 13.58 11.38 22.81 5.08 0.01 0.66 0.79 87 D C C 85.26 4.92 13.83 19.77 98.20 73.53 -74.97 -19.43 58.23 1.28 40.50 36.98 10.35 11.03 35.44 5.03 0.01 0.62 0.55 88 Y H H 114.07 5.44 13.74 20.57 95.06 67.00 -67.83 -38.10 34.00 1.05 64.95 19.01 7.13 9.73 56.83 6.32 0.03 0.55 0.40 89 V H H 69.15 6.03 12.86 20.49 93.62 51.92 -66.40 -40.19 19.78 0.67 79.55 9.51 3.86 7.63 69.20 9.12 0.04 0.42 0.22 90 Q H H 104.74 2.96 14.26 18.12 92.86 52.33 -66.23 -38.07 17.46 0.46 82.08 7.32 2.98 7.71 71.01 10.49 0.04 0.30 0.15 91 N H H 84.67 3.26 13.07 17.51 94.55 51.19 -71.93 -31.56 20.64 0.41 78.95 9.29 3.17 8.55 67.69 10.88 0.02 0.24 0.16 92 L H H 83.02 4.81 10.90 17.51 94.21 57.31 -67.49 -36.75 16.32 0.30 83.38 6.29 2.77 7.50 70.51 12.63 0.02 0.17 0.11 93 N H H 98.85 2.76 11.33 15.35 95.21 55.30 -70.18 -29.83 18.59 0.33 81.08 6.56 2.52 9.06 66.99 14.53 0.03 0.20 0.12 94 L H H 112.55 2.16 9.82 13.21 95.61 59.00 -71.66 -28.64 22.72 0.47 76.81 7.50 3.30 11.33 61.57 15.80 0.04 0.28 0.18 95 L H H 120.63 2.20 8.82 12.35 98.08 60.76 -78.15 -18.42 36.77 1.33 61.91 14.80 6.11 17.24 49.84 10.59 0.10 0.72 0.60 96 Q C C 138.97 1.59 8.55 11.41 102.93 63.85 -85.39 9.54 66.24 1.08 32.68 43.05 1.88 21.20 29.20 3.54 0.00 0.58 0.55 97 C C C 86.26 4.63 9.73 16.05 108.18 108.16 -87.13 98.34 99.97 0.02 0.01 99.91 0.04 0.04 0.01 0.00 0.00 0.01 0.00