# 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 107.44 6.87 15.07 22.98 115.16 -145.57 -93.29 137.40 99.95 0.04 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 68.82 6.66 13.90 21.91 116.66 -129.46 -88.63 139.64 96.43 2.52 1.06 94.05 1.19 1.52 0.64 0.24 0.00 1.10 1.25 2 L C C 38.84 17.32 8.89 25.28 116.64 -118.43 -88.79 137.74 97.70 1.43 0.88 82.15 14.58 0.96 0.65 0.21 0.00 0.55 0.90 3 T C C 70.80 2.59 17.70 19.98 121.67 -124.90 -80.41 163.16 98.45 0.62 0.93 95.89 2.35 0.33 0.78 0.09 0.00 0.19 0.35 4 N H H 108.34 4.78 12.49 19.27 91.87 -105.23 -58.49 -38.87 2.98 0.01 97.01 0.81 0.61 1.34 96.86 0.38 0.00 0.00 0.00 5 A H H 76.17 1.39 16.30 16.79 92.07 52.41 -64.53 -39.98 1.46 0.00 98.54 0.26 0.16 0.85 98.33 0.40 0.00 0.00 0.00 6 D H H 61.04 7.54 15.74 24.62 92.15 48.27 -66.34 -39.42 0.70 0.00 99.30 0.20 0.07 0.34 99.01 0.38 0.00 0.00 0.00 7 R H H 59.77 16.82 14.22 30.53 91.50 52.53 -62.60 -42.04 0.23 0.00 99.77 0.05 0.02 0.11 99.75 0.08 0.00 0.00 0.00 8 A H H 48.90 5.32 19.41 25.58 91.49 51.34 -63.58 -40.58 0.19 0.00 99.81 0.03 0.01 0.10 99.83 0.04 0.00 0.00 0.00 9 E H H 106.15 2.29 22.82 23.69 91.78 50.04 -64.75 -41.11 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 10 I H H 14.05 16.69 17.21 34.85 91.83 49.42 -63.74 -43.68 0.31 0.00 99.68 0.03 0.01 0.21 99.67 0.08 0.00 0.00 0.00 11 I H H 26.07 18.46 16.62 34.85 91.63 49.31 -63.84 -41.04 0.39 0.00 99.61 0.03 0.02 0.27 99.41 0.27 0.00 0.00 0.00 12 A H H 67.92 3.29 20.84 24.08 91.58 52.46 -64.33 -37.95 1.78 0.00 98.22 0.08 0.06 1.60 95.30 2.96 0.00 0.00 0.00 13 K H H 125.90 3.24 21.06 24.32 92.79 47.87 -70.16 -32.07 8.73 0.00 91.27 0.18 0.26 8.72 87.77 3.06 0.00 0.00 0.00 14 F H H 39.86 16.98 14.63 31.47 100.27 36.71 -102.69 -8.33 22.27 0.05 77.69 1.70 2.07 18.44 74.39 3.31 0.03 0.01 0.04 15 A C C 31.53 16.18 12.64 28.62 108.24 105.07 -71.60 119.20 85.04 0.61 14.35 49.33 8.37 27.31 11.18 3.02 0.00 0.21 0.58 16 R C C 159.65 3.49 17.33 21.74 100.35 94.91 -93.20 -8.61 90.60 0.86 8.55 41.11 21.45 28.12 4.18 4.01 0.00 0.31 0.82 17 A C S 54.28 4.74 13.98 20.12 128.90 69.02 -112.00 163.55 95.09 1.77 3.15 42.83 48.29 3.34 1.08 1.77 0.00 0.43 2.26 18 E C T 152.93 2.09 13.87 17.18 98.99 -92.61 -63.98 -27.52 98.31 0.17 1.53 0.77 6.23 91.43 0.10 1.30 0.00 0.09 0.08 19 N C T 125.83 1.98 15.45 17.81 96.23 33.84 -74.90 15.21 99.15 0.12 0.74 1.78 4.95 92.35 0.05 0.77 0.00 0.07 0.04 20 D C C 37.50 15.57 10.21 25.85 108.16 133.34 -81.10 110.21 97.82 1.90 0.28 92.68 4.35 0.52 0.08 0.17 0.00 0.55 1.67 21 T C C 81.26 6.54 18.95 26.32 99.27 171.13 -99.47 -1.44 99.22 0.48 0.30 54.84 9.04 35.34 0.07 0.20 0.00 0.23 0.28 22 G C T 31.52 12.77 17.93 30.27 98.10 -31.01 69.34 4.61 99.19 0.51 0.31 24.44 34.69 40.10 0.07 0.24 0.00 0.22 0.25 23 S C C 35.84 9.07 20.66 30.97 115.83 132.54 -76.52 139.68 99.53 0.22 0.25 88.47 10.84 0.11 0.23 0.03 0.00 0.04 0.28 24 P H H 39.41 17.46 17.64 34.86 92.18 -127.88 -59.50 -36.87 1.39 0.00 98.61 0.14 0.16 0.87 98.68 0.14 0.00 0.00 0.00 25 E H H 92.31 10.58 22.68 33.16 91.58 55.33 -63.59 -40.54 0.44 0.00 99.56 0.03 0.02 0.30 99.53 0.11 0.00 0.00 0.00 26 V H H 29.80 13.47 22.21 36.01 92.13 49.02 -65.84 -41.86 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 27 Q H H 34.64 18.00 23.26 40.15 91.64 50.58 -63.92 -42.97 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 28 V H H 14.17 20.14 23.02 42.53 91.44 49.75 -63.28 -43.46 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 29 A H H 28.99 11.30 25.69 37.56 91.64 50.72 -64.05 -42.25 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 L H H 41.89 13.36 25.42 38.73 91.67 49.52 -64.26 -42.58 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 31 L H H 13.91 21.33 22.91 43.50 91.80 49.42 -64.38 -42.66 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 32 T H H 32.32 15.00 23.40 37.98 91.93 50.82 -63.90 -41.73 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 33 A H H 36.68 6.89 24.41 32.16 91.57 50.49 -63.87 -42.09 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 34 Q H H 50.53 12.74 22.94 35.53 91.98 49.55 -64.69 -41.78 0.19 0.00 99.81 0.01 0.00 0.12 99.84 0.02 0.00 0.00 0.00 35 I H H 13.05 21.21 18.20 39.23 91.78 50.32 -63.72 -42.46 0.24 0.00 99.76 0.02 0.01 0.15 99.76 0.05 0.00 0.00 0.00 36 N H H 83.22 6.16 22.94 29.48 91.48 50.95 -64.09 -39.96 0.78 0.00 99.22 0.03 0.02 0.62 99.14 0.18 0.00 0.00 0.00 37 D H H 81.77 3.69 23.13 26.59 91.96 49.60 -66.06 -39.20 5.26 0.00 94.74 0.11 0.12 4.95 94.46 0.37 0.00 0.00 0.00 38 L H H 18.27 18.01 16.56 34.69 92.61 50.07 -68.19 -38.31 5.50 0.00 94.50 0.26 0.26 4.60 94.37 0.50 0.00 0.00 0.00 39 Q H H 63.85 13.05 17.68 30.76 91.85 57.19 -61.60 -41.91 1.61 0.00 98.39 0.20 0.13 1.06 98.09 0.53 0.00 0.00 0.00 40 G H H 37.24 2.04 21.28 21.86 91.41 51.08 -63.51 -41.63 2.10 0.00 97.90 0.20 0.13 1.58 97.20 0.88 0.00 0.00 0.00 41 H H H 62.82 7.39 17.23 26.19 92.24 49.93 -65.57 -40.56 1.42 0.00 98.57 0.15 0.12 1.05 97.56 1.11 0.00 0.00 0.00 42 F H H 34.90 15.89 11.57 27.73 92.18 51.64 -65.34 -38.20 1.53 0.00 98.47 0.16 0.14 1.14 97.24 1.32 0.00 0.00 0.00 43 K H H 146.13 1.83 16.16 18.29 91.96 51.71 -66.43 -35.44 5.74 0.00 94.26 0.24 0.31 5.11 93.14 1.19 0.01 0.00 0.00 44 A H H 84.11 1.17 15.26 15.47 93.45 48.52 -74.76 -28.39 15.46 0.01 84.53 0.41 1.18 13.80 83.80 0.79 0.01 0.00 0.01 45 H C C 85.18 7.42 10.41 19.38 109.52 32.61 -125.74 75.31 85.23 0.28 14.50 45.33 17.10 21.72 14.06 1.40 0.00 0.07 0.31 46 K C T 145.31 3.64 12.55 18.25 96.72 -173.57 -63.08 -22.47 97.55 0.13 2.32 11.08 9.37 77.19 0.77 1.43 0.00 0.07 0.09 47 H C T 146.20 2.30 14.34 17.17 98.04 52.97 -88.83 15.79 97.84 0.12 2.04 8.73 14.36 74.79 0.55 1.45 0.00 0.06 0.08 48 D C C 49.72 10.12 9.94 21.57 107.03 126.20 -89.75 106.47 96.11 0.27 3.62 88.93 5.78 1.81 1.92 1.20 0.00 0.08 0.29 49 H H H 127.82 3.42 14.74 19.72 94.51 -173.55 -68.57 -31.21 35.53 0.16 64.31 12.36 6.17 17.22 53.13 10.94 0.01 0.06 0.12 50 H H H 118.43 2.83 17.46 20.32 92.54 57.45 -67.26 -36.53 24.89 0.10 75.01 5.16 3.30 15.67 65.18 10.56 0.02 0.04 0.07 51 S H H 22.63 13.12 13.72 27.88 92.18 53.66 -66.52 -38.43 14.14 0.10 85.75 5.63 1.95 6.18 76.40 9.74 0.01 0.05 0.04 52 R H H 100.50 10.84 17.46 28.46 91.90 53.27 -63.78 -40.43 6.09 0.05 93.86 2.75 0.94 2.50 90.99 2.77 0.00 0.02 0.02 53 R H H 135.15 2.18 22.44 23.35 91.73 51.07 -64.75 -41.63 1.53 0.00 98.46 0.41 0.19 0.77 98.17 0.47 0.00 0.00 0.00 54 G H H 19.08 8.53 19.18 29.20 91.71 50.89 -63.43 -42.11 1.04 0.00 98.96 0.24 0.09 0.56 98.80 0.30 0.00 0.00 0.00 55 L H H 21.39 18.64 16.58 35.10 91.96 50.40 -64.36 -41.97 0.45 0.00 99.55 0.09 0.03 0.24 99.47 0.16 0.00 0.00 0.00 56 I H H 82.27 6.12 21.99 28.42 91.57 50.34 -63.98 -41.68 0.22 0.00 99.78 0.03 0.01 0.12 99.76 0.07 0.00 0.00 0.00 57 R H H 130.16 2.75 23.44 25.13 91.60 49.58 -64.41 -41.74 0.24 0.00 99.76 0.03 0.01 0.14 99.76 0.06 0.00 0.00 0.00 58 M H H 28.92 15.52 18.78 34.61 91.64 49.57 -64.73 -42.13 0.32 0.00 99.68 0.03 0.02 0.21 99.67 0.07 0.00 0.00 0.00 59 V H H 26.70 15.54 18.93 34.73 91.51 50.01 -63.70 -42.53 0.26 0.00 99.74 0.03 0.01 0.16 99.74 0.05 0.00 0.00 0.00 60 N H H 80.54 2.80 23.60 25.30 91.38 50.21 -63.91 -41.14 0.36 0.00 99.64 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 61 Q H H 67.61 7.42 21.67 29.74 91.68 50.00 -64.69 -41.31 0.42 0.00 99.58 0.04 0.02 0.28 99.61 0.06 0.00 0.00 0.00 62 R H H 30.78 19.96 17.34 36.68 91.70 51.11 -63.74 -41.68 0.27 0.00 99.73 0.03 0.02 0.17 99.74 0.05 0.00 0.00 0.00 63 R H H 109.60 8.62 21.58 30.50 91.45 51.58 -63.03 -41.21 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.06 0.00 0.00 0.00 64 K H H 114.97 2.30 24.37 25.31 91.58 50.23 -64.19 -41.81 0.33 0.00 99.67 0.02 0.01 0.23 99.61 0.12 0.00 0.00 0.00 65 L H H 19.66 16.30 19.49 36.20 91.80 49.75 -64.31 -42.66 0.48 0.00 99.52 0.03 0.02 0.35 99.30 0.29 0.00 0.00 0.00 66 L H H 17.15 19.53 17.34 36.80 91.41 50.89 -63.10 -41.04 0.83 0.00 99.17 0.06 0.04 0.62 98.20 1.07 0.00 0.00 0.00 67 D H H 87.74 2.67 23.49 25.30 91.46 51.45 -63.84 -39.79 4.24 0.00 95.76 0.18 0.16 3.83 92.81 3.02 0.00 0.00 0.00 68 Y H H 95.05 6.58 20.56 27.86 92.02 51.05 -65.85 -38.46 9.66 0.01 90.34 0.36 0.47 8.79 86.87 3.49 0.01 0.00 0.00 69 L H H 12.39 20.11 12.86 33.06 93.33 49.87 -78.69 -23.03 22.63 0.15 77.22 3.84 3.08 15.77 72.05 5.05 0.05 0.06 0.11 70 N C T 81.13 10.98 14.79 26.12 102.07 96.14 -64.05 76.41 51.92 0.24 47.84 5.29 3.26 42.29 42.28 6.56 0.03 0.09 0.19 71 G C T 59.70 1.63 16.81 18.12 97.64 26.32 50.94 -7.88 67.51 0.15 32.33 3.73 5.99 57.49 25.58 7.00 0.01 0.06 0.14 72 K C T 127.55 4.14 14.07 19.51 102.98 54.67 -92.21 -28.29 77.93 0.34 21.73 9.27 34.46 34.78 15.71 5.30 0.01 0.10 0.37 73 D C C 67.72 7.31 14.22 22.80 116.01 6.74 -133.85 96.78 94.08 0.49 5.44 81.34 6.43 6.20 4.27 1.13 0.00 0.16 0.47 74 H H H 102.22 9.64 12.19 22.99 94.25 -160.79 -63.61 -35.90 3.29 0.01 96.71 0.98 0.52 1.45 96.63 0.40 0.00 0.00 0.00 75 E H H 142.28 1.04 18.90 18.27 91.60 53.96 -63.99 -41.09 1.12 0.00 98.88 0.13 0.10 0.75 98.72 0.30 0.00 0.00 0.00 76 R H H 97.24 6.81 18.12 25.89 92.02 48.34 -65.50 -40.90 0.40 0.00 99.60 0.06 0.03 0.25 99.40 0.26 0.00 0.00 0.00 77 Y H H 13.73 21.48 13.31 34.79 91.51 50.22 -63.60 -43.23 0.14 0.00 99.86 0.02 0.01 0.07 99.82 0.08 0.00 0.00 0.00 78 T H H 64.78 6.69 20.69 28.01 91.38 50.50 -63.03 -41.52 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 79 A H H 58.72 2.33 22.93 23.78 91.60 50.40 -63.81 -42.21 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 80 L H H 16.02 17.04 18.08 35.67 91.94 48.92 -64.48 -43.39 0.26 0.00 99.74 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 81 I H H 15.89 19.44 15.80 35.36 91.61 49.53 -63.15 -42.88 0.56 0.00 99.44 0.06 0.04 0.36 99.34 0.19 0.00 0.00 0.00 82 G H H 46.32 2.44 20.13 22.21 91.72 50.85 -63.61 -40.88 1.92 0.00 98.08 0.14 0.09 1.50 97.59 0.68 0.00 0.00 0.00 83 A H H 67.34 4.41 18.35 23.58 91.41 52.36 -66.16 -32.20 7.71 0.01 92.29 0.25 0.29 7.19 91.43 0.83 0.01 0.00 0.00 84 L C T 29.20 17.81 12.86 30.71 93.69 48.98 -85.94 -5.41 53.58 0.05 46.36 0.86 2.12 49.73 45.71 1.51 0.01 0.02 0.05 85 G C T 49.46 2.88 21.11 23.78 95.93 -114.76 75.81 20.70 97.32 0.07 2.61 6.38 3.47 87.64 1.99 0.45 0.00 0.03 0.03 86 L C C 35.63 18.48 9.37 26.74 110.44 138.81 -91.24 116.50 94.32 1.08 4.60 78.81 8.03 7.72 2.43 1.87 0.00 0.55 0.59 87 R C C 147.65 4.11 15.00 20.73 116.89 155.10 -102.66 139.69 92.68 3.44 3.88 85.24 2.24 5.81 1.93 1.26 0.00 1.77 1.75 88 R C C 151.99 5.94 14.21 21.88 110.08 -117.21 -77.99 127.97 99.94 0.05 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.02 0.00