# 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 72.54 5.91 11.53 18.89 117.16 -164.66 -95.92 138.82 99.92 0.07 0.02 99.85 0.06 0.04 0.00 0.00 0.00 0.03 0.01 1 S C C 76.29 4.25 9.94 16.00 114.63 -138.39 -93.20 136.57 97.04 1.91 1.06 95.23 0.77 1.49 0.43 0.29 0.00 0.96 0.82 2 V C C 115.25 2.68 10.40 14.72 111.30 -153.52 -94.63 116.23 95.37 3.44 1.20 61.53 31.30 2.79 0.49 0.62 0.00 1.68 1.59 3 V C C 77.42 7.53 8.70 17.75 117.26 63.00 -104.12 128.27 95.84 3.39 0.78 52.88 42.57 1.00 0.41 0.30 0.00 1.59 1.25 4 P C C 82.09 3.99 13.17 18.61 111.27 -113.92 -68.76 142.19 95.59 2.73 1.68 88.22 5.72 1.80 0.66 0.86 0.00 1.48 1.25 5 L C C 86.29 9.84 8.97 19.43 102.43 -151.88 -87.77 7.93 87.97 5.28 6.75 75.40 6.64 4.64 1.74 5.17 0.00 2.10 4.30 6 K C T 139.02 3.62 12.03 17.19 104.71 94.37 -77.12 -8.53 90.20 1.66 8.15 15.58 21.77 52.62 1.05 7.27 0.00 0.89 0.82 7 D C T 117.47 2.00 13.20 15.60 102.71 40.62 -89.90 34.98 90.87 1.08 8.05 17.68 20.56 52.14 0.84 7.72 0.00 0.64 0.41 8 R C C 102.57 8.52 9.71 19.61 119.49 120.90 -96.45 145.55 98.00 1.06 0.94 57.09 40.06 0.86 0.26 0.55 0.00 0.46 0.72 9 R C C 130.12 3.16 15.84 19.52 115.60 -115.66 -80.54 143.68 79.96 19.52 0.52 75.91 1.49 0.19 0.23 0.16 0.00 2.73 19.30 10 L H G 66.21 14.86 10.01 24.66 92.30 -116.70 -58.89 -35.14 9.71 0.16 90.13 1.50 1.10 5.47 0.80 91.01 0.00 0.12 0.01 11 L H G 110.18 4.72 14.54 20.37 90.91 60.84 -68.96 -17.40 8.63 0.07 91.30 0.42 0.60 6.03 0.58 92.31 0.00 0.05 0.00 12 E H G 130.18 2.24 16.54 18.91 94.48 55.04 -89.37 -2.11 8.69 0.07 91.24 0.78 0.85 5.10 0.60 92.61 0.00 0.05 0.00 13 V C C 36.11 15.34 7.13 21.91 118.08 98.19 -84.76 138.71 98.14 0.58 1.28 70.25 27.21 0.60 0.48 0.62 0.00 0.15 0.68 14 K C C 135.94 1.86 16.20 18.06 120.23 -140.37 -93.69 151.16 92.96 5.78 1.26 88.59 2.14 0.49 0.63 0.37 0.00 0.95 6.83 15 L C T 118.41 5.19 11.91 18.86 106.86 -88.30 -58.65 131.84 69.31 0.63 30.06 2.39 6.08 60.26 1.82 28.66 0.00 0.32 0.47 16 G C T 55.77 2.17 15.03 17.76 95.25 22.64 82.63 -3.78 70.78 0.22 28.99 2.07 5.08 62.44 1.65 28.50 0.00 0.12 0.13 17 E C C 89.68 6.74 13.94 22.22 96.36 90.71 -84.16 -13.65 67.22 1.32 31.46 43.19 11.97 10.71 4.60 27.92 0.00 0.48 1.13 18 L H H 39.96 15.39 10.60 25.75 95.46 82.41 -66.31 -37.81 43.39 0.30 56.32 35.01 5.76 3.98 50.80 4.16 0.00 0.10 0.19 19 P H H 75.23 4.00 16.27 21.19 92.12 56.09 -62.48 -37.13 13.12 0.09 86.80 4.22 1.40 7.07 72.43 14.78 0.01 0.05 0.04 20 S H H 62.49 2.56 16.74 19.39 92.00 52.28 -65.98 -36.09 5.47 0.05 94.48 1.07 0.53 3.41 77.85 17.09 0.01 0.03 0.01 21 W H H 68.38 11.81 12.96 25.80 92.72 52.77 -66.06 -39.23 2.59 0.02 97.39 0.51 0.27 1.59 81.25 16.35 0.00 0.02 0.00 22 I H H 63.00 11.87 13.06 25.58 91.77 52.59 -65.07 -36.39 4.35 0.04 95.61 0.59 0.41 3.02 79.68 16.25 0.01 0.03 0.01 23 L H H 117.56 2.17 15.73 18.30 91.33 55.87 -69.96 -22.80 17.58 0.09 82.33 1.21 1.25 13.94 68.86 14.58 0.06 0.05 0.05 24 M H H 115.07 3.86 14.32 19.19 96.29 54.04 -87.23 -6.07 48.81 0.50 50.69 6.85 5.94 35.02 39.17 12.27 0.13 0.22 0.40 25 R C T 105.35 11.40 11.10 22.90 114.21 98.80 -83.49 136.19 76.89 1.58 21.53 21.24 22.14 34.35 12.47 7.97 0.03 0.65 1.14 26 D C C 88.41 5.35 15.92 22.45 108.20 -134.07 -90.72 108.37 91.43 1.14 7.43 53.19 12.24 26.36 2.25 4.72 0.00 0.60 0.65 27 F C C 95.81 12.47 12.84 25.68 104.01 -164.00 -96.51 47.01 94.84 2.21 2.94 77.90 13.26 3.10 1.20 1.67 0.00 0.78 2.08 28 T C C 61.05 4.47 18.53 23.80 123.92 128.88 -96.93 158.19 97.82 0.61 1.57 65.12 31.76 0.61 1.60 0.16 0.00 0.12 0.64 29 P H H 74.69 9.75 13.46 24.23 91.06 -106.51 -58.55 -35.55 14.02 0.04 85.94 0.92 1.45 11.86 83.39 2.30 0.04 0.01 0.03 30 S H H 78.75 2.32 17.89 20.53 91.76 54.86 -65.89 -35.90 10.26 0.03 89.71 0.73 0.82 8.73 87.16 2.51 0.03 0.01 0.02 31 G H H 19.69 8.00 15.72 25.69 92.31 53.60 -64.31 -42.05 5.22 0.05 94.72 1.60 0.78 2.85 92.26 2.45 0.01 0.03 0.02 32 I H H 45.66 13.77 16.58 30.64 92.34 48.30 -65.25 -42.24 2.06 0.03 97.91 0.64 0.26 1.06 97.37 0.65 0.00 0.01 0.00 33 A H H 40.26 8.05 19.09 28.05 91.72 50.06 -63.40 -42.05 0.93 0.01 99.07 0.18 0.09 0.53 98.92 0.28 0.00 0.00 0.00 34 G H H 30.20 3.90 20.80 25.08 91.42 50.78 -63.36 -42.35 1.11 0.00 98.89 0.15 0.07 0.72 98.78 0.28 0.00 0.00 0.00 35 A H H 31.69 9.35 18.60 29.24 91.88 50.26 -64.39 -42.07 0.90 0.00 99.10 0.11 0.05 0.58 99.02 0.24 0.00 0.00 0.00 36 F H H 66.75 12.50 18.43 31.14 91.95 49.53 -64.47 -41.65 0.84 0.00 99.16 0.11 0.06 0.52 99.11 0.20 0.00 0.00 0.00 37 Q H H 88.93 5.50 20.54 26.42 91.73 50.49 -64.23 -41.48 0.84 0.00 99.16 0.10 0.04 0.54 99.13 0.18 0.00 0.00 0.00 38 R H H 126.29 2.80 21.63 23.82 91.69 49.73 -64.83 -41.25 0.80 0.00 99.20 0.07 0.04 0.57 99.13 0.19 0.00 0.00 0.00 39 G H H 15.63 10.37 16.85 28.78 91.82 50.81 -63.97 -41.60 1.12 0.00 98.88 0.09 0.05 0.81 98.86 0.19 0.00 0.00 0.00 40 Y H H 77.18 10.86 17.27 28.85 91.79 50.60 -63.62 -41.87 0.81 0.00 99.19 0.09 0.05 0.54 99.18 0.15 0.00 0.00 0.00 41 Y H H 121.11 3.41 19.27 22.73 91.77 49.60 -64.34 -41.57 0.39 0.00 99.61 0.04 0.02 0.25 99.58 0.10 0.00 0.00 0.00 42 R H H 115.11 3.24 18.68 21.91 92.02 49.06 -65.08 -41.48 0.34 0.00 99.66 0.02 0.01 0.24 99.57 0.14 0.00 0.00 0.00 43 Y H H 58.80 10.45 14.64 26.44 92.91 47.44 -66.01 -42.10 0.41 0.00 99.59 0.03 0.02 0.30 99.43 0.21 0.00 0.00 0.00 44 Y H H 85.52 9.71 13.54 24.33 93.18 46.37 -68.00 -39.71 0.88 0.00 99.12 0.05 0.05 0.71 98.77 0.41 0.00 0.00 0.00 45 N H H 104.57 2.48 15.43 18.22 95.33 42.95 -76.02 -33.03 4.94 0.01 95.05 0.10 0.18 4.77 94.38 0.56 0.01 0.00 0.00 46 K H H 135.28 2.05 15.66 17.68 101.80 33.48 -93.52 -33.35 24.70 0.02 75.28 0.22 0.85 24.42 73.70 0.76 0.03 0.00 0.01 47 Y C T 121.89 5.70 13.82 20.66 106.99 22.21 -112.08 -26.91 58.63 0.20 41.17 1.36 6.09 49.03 42.15 1.08 0.07 0.06 0.16 48 V C C 52.20 11.77 11.56 23.90 114.46 31.81 -117.05 89.92 84.61 5.26 10.13 36.56 31.85 16.09 7.98 2.31 0.05 2.02 3.16 49 N C C 103.27 3.87 17.30 22.04 103.08 -143.43 -70.84 67.76 93.67 2.35 3.98 84.09 5.26 4.39 2.56 1.26 0.00 1.41 1.04 50 V C C 47.59 14.90 9.91 24.72 112.18 -173.77 -88.74 127.39 88.30 2.83 8.87 71.92 8.12 8.30 4.19 4.42 0.00 1.52 1.53 51 K C C 131.06 3.74 15.46 20.38 110.98 -138.14 -85.46 116.40 89.38 2.28 8.34 62.24 13.83 13.27 3.57 4.63 0.00 1.11 1.35 52 K C C 133.46 5.11 12.74 19.51 110.14 -125.42 -78.39 125.95 89.57 1.93 8.49 33.27 25.50 31.37 3.14 4.75 0.00 0.86 1.11 53 G C S 53.51 3.48 13.74 18.27 102.34 19.73 85.86 -0.31 94.47 1.05 4.48 31.79 35.87 27.28 1.45 2.59 0.00 0.47 0.56 54 S C S 53.12 4.21 13.87 19.32 125.98 107.97 -99.60 167.89 83.95 2.06 13.99 25.53 54.40 3.35 13.82 0.91 0.01 0.43 1.55 55 V H H 101.38 4.61 13.78 19.82 92.64 -96.08 -61.62 -35.88 7.16 0.04 92.80 1.15 1.63 4.26 92.14 0.76 0.02 0.01 0.02 56 A H H 59.19 4.46 16.15 21.36 92.06 53.71 -64.25 -39.40 3.55 0.02 96.44 0.63 0.41 2.22 96.08 0.65 0.01 0.00 0.01 57 G H H 15.15 9.39 14.59 26.13 91.61 52.05 -63.20 -42.34 1.05 0.00 98.95 0.31 0.11 0.52 98.66 0.40 0.00 0.00 0.00 58 L H H 64.38 9.33 17.04 27.28 92.12 50.09 -64.74 -41.39 0.27 0.00 99.73 0.06 0.02 0.13 99.68 0.11 0.00 0.00 0.00 59 S H H 47.66 7.11 19.13 26.74 92.04 50.62 -64.67 -40.65 0.19 0.00 99.81 0.03 0.01 0.10 99.80 0.05 0.00 0.00 0.00 60 M H H 83.01 7.19 19.90 27.39 92.29 50.49 -65.27 -40.78 0.13 0.00 99.87 0.02 0.00 0.08 99.87 0.03 0.00 0.00 0.00 61 V H H 50.97 10.53 19.13 30.22 92.07 49.87 -64.51 -42.72 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 62 L H H 66.22 9.19 20.58 30.25 91.89 49.79 -64.15 -41.78 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 63 A H H 42.84 7.38 20.44 28.31 91.76 50.72 -63.72 -41.94 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 64 A H H 38.14 8.23 20.19 29.26 91.83 50.76 -64.10 -42.00 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 65 Y H H 84.03 9.53 20.62 30.59 91.95 50.14 -64.91 -41.73 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 66 V H H 53.82 9.10 19.87 29.74 91.78 50.75 -64.10 -42.74 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 67 V H H 63.98 7.31 20.63 28.26 91.69 49.17 -63.99 -42.66 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 68 F H H 85.69 7.52 20.25 28.17 91.91 48.50 -64.89 -41.76 0.17 0.00 99.83 0.01 0.00 0.13 99.80 0.06 0.00 0.00 0.00 69 N H H 57.92 8.20 18.79 27.90 92.06 49.78 -64.89 -40.93 0.78 0.00 99.22 0.04 0.03 0.65 99.10 0.18 0.00 0.00 0.00 70 Y H H 93.13 7.51 18.47 26.80 92.27 49.91 -64.92 -41.17 1.50 0.00 98.50 0.08 0.08 1.27 98.10 0.46 0.00 0.00 0.00 71 C H H 53.43 6.53 18.04 25.24 92.07 50.10 -64.40 -41.62 2.28 0.00 97.72 0.16 0.15 1.85 96.90 0.94 0.00 0.00 0.00 72 R H H 110.70 5.08 18.45 23.80 92.28 49.63 -66.10 -39.45 6.90 0.01 93.09 0.30 0.38 6.14 91.64 1.52 0.01 0.00 0.00 73 S H H 45.93 6.31 16.10 23.79 92.82 49.25 -71.08 -31.20 20.17 0.04 79.79 1.14 1.18 17.50 78.46 1.66 0.02 0.02 0.02 74 Y H H 96.44 6.89 15.27 23.34 93.63 58.49 -68.15 -34.07 13.78 0.07 86.15 4.60 2.38 6.68 84.44 1.83 0.01 0.03 0.04 75 K H H 116.98 3.19 17.19 20.48 92.27 55.62 -63.94 -40.38 3.25 0.01 96.74 0.75 0.41 1.87 94.77 2.18 0.00 0.01 0.00 76 E H H 96.83 3.33 16.59 20.39 92.33 50.42 -65.41 -40.85 2.59 0.01 97.40 0.44 0.26 1.72 95.35 2.22 0.00 0.01 0.00 77 L H H 68.58 5.03 15.04 21.63 92.33 49.61 -65.39 -41.21 2.45 0.01 97.54 0.49 0.26 1.50 95.71 2.03 0.00 0.01 0.00 78 K H H 103.16 3.59 15.63 19.95 91.78 50.58 -63.83 -41.06 2.74 0.01 97.26 0.53 0.28 1.67 96.08 1.43 0.00 0.00 0.00 79 H H H 103.25 2.24 15.27 17.62 92.10 49.64 -65.21 -40.47 3.94 0.01 96.05 0.69 0.33 2.58 94.85 1.54 0.00 0.01 0.00 80 E H H 95.03 2.58 14.43 17.59 92.01 50.82 -64.74 -40.63 3.51 0.01 96.48 0.73 0.37 2.11 94.83 1.94 0.00 0.00 0.00 81 R H H 117.55 2.95 13.00 16.98 91.98 50.86 -64.28 -40.38 3.98 0.01 96.01 0.79 0.39 2.47 93.09 3.24 0.00 0.01 0.01 82 L H H 93.63 2.39 11.77 15.14 92.15 50.61 -65.63 -38.55 4.91 0.02 95.08 0.79 0.41 3.23 89.25 6.30 0.00 0.01 0.00 83 R H H 153.05 1.44 11.03 12.96 92.70 51.05 -67.19 -35.86 9.18 0.03 90.80 1.16 0.74 6.46 81.28 10.32 0.01 0.01 0.01 84 K H H 144.86 1.40 10.45 12.37 94.30 51.30 -71.14 -30.27 25.36 0.08 74.56 2.44 1.94 19.68 65.91 9.91 0.03 0.03 0.05 85 Y C H 161.85 1.88 9.07 12.00 99.92 42.40 -93.48 -5.61 51.06 0.25 48.69 17.54 2.08 30.94 44.14 5.01 0.00 0.10 0.19 86 H C C 126.80 3.77 9.44 14.93 106.13 80.78 -85.85 81.99 99.94 0.03 0.03 99.81 0.08 0.07 0.02 0.00 0.00 0.01 0.00