# 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 S C C 76.58 4.57 17.88 23.25 111.77 -144.44 -90.48 122.81 99.94 0.04 0.02 99.84 0.09 0.05 0.01 0.00 0.00 0.02 0.00 1 L C C 45.19 17.51 8.82 25.04 116.67 -137.63 -91.21 136.87 97.53 0.82 1.65 95.31 1.48 0.77 1.50 0.13 0.00 0.24 0.57 2 S C C 58.98 2.98 16.18 19.43 119.09 -122.58 -76.95 161.23 97.23 0.41 2.37 93.35 2.97 0.77 2.38 0.17 0.00 0.12 0.25 3 T H H 96.27 4.48 12.40 18.74 92.72 -107.98 -60.69 -37.23 5.02 0.02 94.96 1.73 1.16 1.85 94.89 0.35 0.00 0.00 0.01 4 E H H 133.18 1.36 16.80 17.31 92.36 53.01 -65.10 -40.06 2.05 0.01 97.95 0.48 0.28 1.06 97.88 0.30 0.00 0.00 0.00 5 A H H 30.93 8.94 15.03 25.79 92.01 49.12 -65.23 -40.86 0.95 0.00 99.04 0.28 0.10 0.46 98.86 0.29 0.00 0.00 0.00 6 T H H 28.10 16.58 14.54 31.06 91.70 51.21 -63.53 -42.18 0.46 0.00 99.54 0.12 0.04 0.21 99.52 0.11 0.00 0.00 0.00 7 A H H 49.26 5.66 19.72 26.12 91.64 51.33 -63.89 -40.75 0.36 0.00 99.64 0.06 0.02 0.18 99.68 0.06 0.00 0.00 0.00 8 K H H 116.13 2.49 22.98 24.43 91.90 49.79 -64.69 -41.02 0.52 0.00 99.48 0.06 0.03 0.31 99.53 0.07 0.00 0.00 0.00 9 I H H 14.77 17.32 17.29 35.21 92.17 49.79 -64.15 -43.62 0.61 0.00 99.38 0.09 0.05 0.36 99.40 0.10 0.00 0.00 0.00 10 V H H 24.13 18.11 16.37 34.28 91.77 49.35 -64.02 -41.05 0.55 0.00 99.45 0.08 0.04 0.34 99.30 0.24 0.00 0.00 0.00 11 S H H 72.34 2.92 20.53 23.41 92.09 52.26 -65.51 -37.41 1.85 0.00 98.15 0.15 0.09 1.47 96.77 1.51 0.00 0.00 0.00 12 E H H 118.11 3.77 20.59 24.65 93.67 49.11 -70.71 -34.50 5.46 0.00 94.54 0.20 0.26 4.99 93.16 1.37 0.00 0.00 0.00 13 F H H 49.57 16.62 15.24 31.43 101.34 31.66 -104.42 -9.00 16.91 0.05 83.05 1.14 2.22 13.49 81.95 1.13 0.03 0.01 0.04 14 G C C 20.70 14.18 14.60 28.90 117.94 97.86 -83.57 148.14 95.91 0.44 3.66 53.44 12.56 30.29 2.10 1.11 0.00 0.16 0.34 15 R C C 134.34 8.42 15.50 24.76 103.89 -151.51 -95.66 -4.50 95.99 1.74 2.27 62.67 28.48 4.43 0.89 1.20 0.00 0.51 1.83 16 D C C 77.36 3.23 18.56 21.71 133.89 -3.32 -141.97 168.44 96.62 2.43 0.95 71.28 22.36 1.92 0.28 0.64 0.00 0.58 2.94 17 A C T 83.60 5.07 12.71 19.53 91.56 -93.98 -62.41 -25.10 99.08 0.13 0.79 0.65 5.98 92.52 0.05 0.67 0.00 0.07 0.06 18 N C T 128.91 1.22 15.79 16.48 95.36 52.47 -91.67 3.82 99.44 0.11 0.45 1.50 5.08 92.83 0.03 0.45 0.00 0.07 0.03 19 D C C 38.15 15.25 9.52 24.87 108.58 117.90 -77.25 113.78 98.12 1.68 0.21 90.77 6.61 0.45 0.06 0.13 0.00 0.48 1.52 20 T C C 91.27 4.88 18.05 23.99 99.62 169.19 -98.10 -1.04 98.77 0.79 0.44 62.28 10.17 26.32 0.12 0.27 0.00 0.34 0.49 21 G C S 34.33 11.29 16.95 28.16 98.79 65.80 -69.88 1.74 98.79 0.78 0.44 24.12 46.14 28.62 0.12 0.30 0.00 0.35 0.36 22 S C C 38.91 8.63 19.66 29.28 117.20 126.84 -76.74 144.60 98.88 0.55 0.57 85.04 13.37 0.27 0.53 0.08 0.00 0.10 0.61 23 T H H 46.77 15.78 17.75 33.33 92.67 -127.78 -61.00 -36.58 1.60 0.00 98.40 0.23 0.29 0.85 98.50 0.13 0.00 0.00 0.00 24 E H H 88.89 10.80 22.25 32.88 91.73 55.69 -63.68 -40.92 0.50 0.00 99.50 0.05 0.04 0.33 99.48 0.10 0.00 0.00 0.00 25 V H H 26.40 14.22 21.52 36.09 92.11 49.01 -65.75 -42.31 0.09 0.00 99.91 0.01 0.01 0.05 99.87 0.06 0.00 0.00 0.00 26 Q H H 41.28 16.70 23.34 39.07 91.81 50.51 -63.73 -42.87 0.04 0.00 99.95 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 27 V H H 17.30 18.96 23.03 41.44 91.47 49.77 -63.29 -43.23 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 A H H 27.75 11.70 25.35 37.59 91.79 50.38 -64.30 -41.92 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 L H H 41.73 13.52 25.27 38.72 91.64 49.64 -64.21 -42.55 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 30 L H H 17.98 19.96 23.13 42.39 91.72 49.69 -64.39 -42.58 0.09 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 31 T H H 34.11 14.28 23.61 37.57 91.89 50.71 -63.91 -41.88 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 32 A H H 32.96 7.79 24.08 32.82 91.55 50.57 -63.98 -42.12 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 Q H H 52.50 12.59 23.03 35.48 91.91 49.86 -64.49 -41.74 0.21 0.00 99.79 0.02 0.00 0.12 99.83 0.02 0.00 0.00 0.00 34 I H H 16.52 19.64 18.66 38.18 91.87 50.34 -63.87 -42.25 0.22 0.00 99.78 0.01 0.01 0.14 99.80 0.04 0.00 0.00 0.00 35 N H H 82.89 5.68 23.27 29.24 91.64 51.17 -64.12 -40.32 0.60 0.00 99.40 0.03 0.02 0.46 99.39 0.11 0.00 0.00 0.00 36 H H H 99.16 4.46 22.79 27.21 91.99 49.63 -65.65 -40.75 2.39 0.00 97.61 0.07 0.07 2.08 97.53 0.26 0.00 0.00 0.00 37 L H H 19.86 17.66 16.84 34.63 92.19 50.37 -65.72 -40.28 2.00 0.00 98.00 0.12 0.10 1.55 97.89 0.33 0.00 0.00 0.00 38 Q H H 69.74 11.61 18.35 30.15 91.73 53.80 -62.59 -41.37 0.91 0.00 99.08 0.09 0.06 0.62 98.90 0.32 0.00 0.00 0.00 39 G H H 37.06 2.10 21.14 21.87 91.69 50.75 -63.74 -41.57 1.71 0.00 98.29 0.14 0.09 1.30 97.85 0.62 0.00 0.00 0.00 40 H H H 59.78 7.81 17.02 26.42 92.21 49.64 -65.71 -40.49 1.72 0.00 98.27 0.16 0.13 1.31 97.43 0.95 0.00 0.00 0.00 41 F H H 39.68 15.03 11.80 27.27 91.97 51.88 -65.43 -38.65 1.81 0.00 98.19 0.20 0.17 1.32 96.97 1.33 0.00 0.00 0.00 42 A H H 76.35 2.21 15.68 18.25 91.91 52.43 -66.44 -33.69 6.63 0.00 93.37 0.34 0.38 5.74 92.27 1.26 0.01 0.00 0.00 43 E H H 140.66 1.19 15.46 15.71 94.34 46.49 -76.61 -29.49 16.53 0.01 83.46 0.52 1.36 14.47 82.68 0.94 0.01 0.00 0.01 44 H C C 83.35 7.84 10.02 19.33 109.15 33.80 -120.92 73.90 80.37 0.26 19.37 38.31 15.80 25.26 18.66 1.63 0.00 0.06 0.28 45 K C T 143.63 3.53 12.26 17.78 97.44 -151.82 -64.42 -21.98 95.81 0.17 4.02 13.19 9.49 73.31 1.59 2.22 0.00 0.07 0.13 46 K C T 158.52 1.74 14.13 16.11 96.27 47.48 -82.92 8.71 96.29 0.14 3.57 9.21 16.06 71.12 1.15 2.29 0.00 0.06 0.11 47 D C C 52.41 9.66 9.69 20.86 107.35 116.15 -95.82 104.37 94.86 0.27 4.87 85.82 6.78 2.72 2.69 1.62 0.00 0.08 0.29 48 H H H 127.89 3.18 14.31 19.03 94.79 -174.61 -67.97 -31.41 31.77 0.16 68.07 11.67 5.88 14.84 60.19 7.24 0.01 0.06 0.11 49 H H H 120.55 2.50 16.89 19.36 92.67 56.51 -66.73 -37.65 21.91 0.08 78.01 4.42 2.99 14.13 71.48 6.87 0.02 0.03 0.05 50 S H H 25.30 11.80 13.66 26.75 92.24 52.39 -66.05 -38.88 12.59 0.08 87.33 4.82 1.73 5.78 81.36 6.23 0.01 0.04 0.04 51 R H H 103.91 9.60 17.11 27.17 91.94 52.77 -63.86 -40.69 4.70 0.03 95.27 1.99 0.73 1.97 93.54 1.75 0.00 0.01 0.01 52 R H H 134.36 2.04 21.92 22.58 91.82 50.60 -64.30 -41.76 1.29 0.00 98.71 0.31 0.15 0.66 98.49 0.39 0.00 0.00 0.00 53 G H H 20.09 7.68 18.76 28.05 91.80 50.92 -63.62 -42.04 0.96 0.00 99.04 0.20 0.08 0.53 98.89 0.29 0.00 0.00 0.00 54 L H H 26.19 17.13 16.17 33.42 92.13 50.42 -64.07 -41.67 0.45 0.00 99.55 0.08 0.03 0.25 99.48 0.16 0.00 0.00 0.00 55 L H H 86.39 5.24 21.39 26.95 91.53 50.82 -63.80 -41.03 0.24 0.00 99.76 0.03 0.01 0.14 99.73 0.08 0.00 0.00 0.00 56 R H H 136.74 2.30 22.71 23.87 91.75 49.63 -64.69 -41.30 0.29 0.00 99.71 0.03 0.02 0.17 99.72 0.06 0.00 0.00 0.00 57 M H H 33.05 14.62 18.24 33.33 91.84 49.63 -64.81 -42.12 0.31 0.00 99.69 0.04 0.02 0.19 99.70 0.06 0.00 0.00 0.00 58 V H H 32.08 14.19 18.61 33.26 91.57 49.92 -63.75 -42.34 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.05 0.00 0.00 0.00 59 S H H 54.56 2.58 22.78 24.22 91.34 50.35 -63.50 -41.82 0.34 0.00 99.66 0.04 0.01 0.21 99.69 0.05 0.00 0.00 0.00 60 Q H H 73.35 6.58 21.51 28.66 91.68 49.63 -64.68 -41.53 0.36 0.00 99.64 0.03 0.02 0.23 99.67 0.05 0.00 0.00 0.00 61 R H H 36.10 19.02 16.91 35.38 91.72 51.21 -63.76 -41.58 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 62 R H H 116.22 7.43 21.33 29.35 91.42 51.59 -63.05 -40.97 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 63 K H H 118.36 2.11 24.11 24.72 91.59 50.06 -64.32 -41.78 0.17 0.00 99.83 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 64 L H H 23.67 15.26 19.65 35.39 91.74 49.63 -64.37 -42.43 0.22 0.00 99.78 0.01 0.01 0.15 99.76 0.07 0.00 0.00 0.00 65 L H H 17.76 18.33 17.73 36.23 91.53 50.95 -62.94 -41.77 0.30 0.00 99.70 0.02 0.01 0.20 99.62 0.15 0.00 0.00 0.00 66 D H H 75.97 3.02 23.37 25.53 91.46 51.01 -63.69 -41.15 0.99 0.00 99.01 0.07 0.04 0.76 98.60 0.53 0.00 0.00 0.00 67 Y H H 79.92 5.72 20.40 27.19 91.71 50.24 -64.08 -41.69 2.07 0.00 97.93 0.12 0.11 1.71 96.88 1.18 0.00 0.00 0.00 68 L H H 11.69 18.41 13.76 32.85 91.89 50.19 -65.10 -40.19 4.19 0.01 95.81 0.41 0.34 3.12 93.83 2.28 0.01 0.00 0.00 69 K H H 95.73 9.87 15.58 26.16 91.54 54.59 -64.29 -34.76 18.08 0.03 81.89 1.29 1.02 15.36 79.42 2.86 0.02 0.01 0.02 70 R H H 171.63 1.33 17.40 17.85 92.61 52.58 -71.35 -27.94 33.58 0.06 66.36 1.91 2.65 28.34 64.71 2.31 0.03 0.02 0.05 71 K C H 119.91 4.33 14.84 20.17 101.01 38.71 -91.26 -28.43 56.97 0.23 42.80 5.61 21.48 27.97 43.16 1.51 0.03 0.05 0.20 72 D C C 68.74 6.95 14.54 22.83 114.25 7.66 -136.29 92.10 96.45 0.31 3.25 89.41 2.99 3.80 3.09 0.36 0.00 0.09 0.25 73 V H H 73.03 10.07 12.02 23.36 94.00 -170.36 -63.26 -36.16 2.51 0.00 97.49 0.72 0.31 1.17 97.37 0.43 0.00 0.00 0.00 74 A H H 74.82 1.42 19.21 19.08 91.68 53.47 -63.75 -41.36 1.14 0.00 98.86 0.09 0.07 0.86 98.50 0.48 0.00 0.00 0.00 75 R H H 94.16 6.78 18.32 26.08 91.88 48.80 -65.89 -40.51 0.51 0.00 99.49 0.06 0.03 0.33 99.10 0.47 0.00 0.00 0.00 76 Y H H 14.45 21.07 13.37 34.47 91.72 51.26 -63.64 -43.02 0.19 0.00 99.81 0.03 0.01 0.10 99.76 0.10 0.00 0.00 0.00 77 T H H 60.04 6.83 20.16 27.78 91.36 51.00 -63.17 -41.64 0.16 0.00 99.84 0.02 0.00 0.09 99.86 0.04 0.00 0.00 0.00 78 R H H 128.12 1.91 22.94 22.98 91.61 50.04 -64.04 -42.14 0.17 0.00 99.83 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 79 L H H 15.98 15.80 17.48 34.29 91.90 49.56 -64.12 -43.15 0.19 0.00 99.81 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 80 I H H 17.16 18.52 15.03 33.85 91.90 49.73 -63.50 -42.77 0.33 0.00 99.67 0.04 0.02 0.20 99.63 0.11 0.00 0.00 0.00 81 E H H 129.04 2.03 19.09 20.91 91.71 49.49 -64.18 -40.89 0.88 0.00 99.12 0.06 0.04 0.66 98.89 0.35 0.00 0.00 0.00 82 R H H 143.76 3.18 17.73 21.54 91.52 51.18 -65.97 -34.31 4.61 0.00 95.38 0.13 0.16 4.31 94.95 0.44 0.00 0.00 0.00 83 L H H 34.35 16.41 12.37 28.95 93.74 48.27 -86.13 -7.61 47.45 0.03 52.52 0.60 1.55 44.48 52.34 0.98 0.01 0.01 0.03 84 G C T 49.62 2.72 20.11 22.62 96.84 -115.48 76.19 19.94 97.87 0.06 2.07 6.23 3.24 88.59 1.57 0.32 0.00 0.03 0.03 85 L C C 39.96 17.34 9.08 25.45 110.67 142.10 -88.44 115.74 94.75 0.83 4.43 77.86 8.37 8.76 2.22 1.88 0.00 0.40 0.52 86 R C C 148.12 4.10 14.25 19.97 116.30 158.69 -98.46 137.24 94.64 1.89 3.46 86.68 2.13 6.47 1.58 1.17 0.00 0.92 1.04 87 R C C 154.43 5.38 14.00 21.18 110.06 -116.20 -78.97 126.49 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00