# 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 123.21 4.55 12.88 19.09 116.98 -141.79 -90.56 135.02 99.98 0.02 0.00 99.91 0.07 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 72.04 8.52 10.02 19.84 114.43 -111.19 -69.21 147.33 98.71 1.12 0.17 97.19 0.31 1.43 0.03 0.08 0.00 0.79 0.17 2 A C C 78.31 3.31 13.34 18.26 122.33 -152.45 -115.17 141.08 65.65 33.74 0.61 57.61 5.73 1.69 0.19 0.50 0.00 29.82 4.46 3 V C C 63.95 12.40 9.69 22.62 122.38 -160.57 -117.00 133.34 57.10 42.67 0.23 54.02 2.30 0.30 0.06 0.15 0.00 41.65 1.52 4 K C C 141.26 2.34 17.16 20.12 116.98 -151.99 -103.83 128.88 55.02 44.74 0.24 53.05 1.60 0.29 0.08 0.14 0.00 42.61 2.22 5 V C C 57.08 13.69 8.05 21.59 120.02 -154.09 -101.85 137.05 86.94 12.89 0.17 84.94 2.21 0.22 0.06 0.10 0.00 11.17 1.30 6 K C C 120.46 2.97 12.75 16.83 118.03 -129.35 -83.17 154.81 96.29 3.44 0.27 93.87 2.28 0.47 0.09 0.14 0.00 1.95 1.20 7 E C T 161.46 1.26 10.91 12.89 99.43 -95.58 -60.82 -30.24 99.47 0.23 0.30 1.00 7.30 91.27 0.03 0.21 0.00 0.15 0.05 8 N C T 142.90 0.50 12.60 11.50 96.93 28.11 -68.84 10.64 99.64 0.12 0.24 1.52 6.93 91.22 0.02 0.20 0.00 0.08 0.02 9 E C S 64.22 9.31 7.42 18.10 118.71 122.14 -87.84 142.80 98.64 1.28 0.07 29.94 68.76 0.20 0.03 0.03 0.00 0.40 0.64 10 P C C 76.43 2.26 15.85 17.98 113.59 -103.08 -64.75 147.43 98.02 1.80 0.18 97.57 0.66 0.09 0.11 0.02 0.00 0.47 1.08 11 V H H 79.74 9.46 10.77 21.30 92.41 -117.21 -58.61 -38.38 2.18 0.00 97.82 0.53 0.28 1.13 97.68 0.37 0.00 0.00 0.00 12 D H H 100.75 2.06 16.29 18.41 91.89 54.84 -64.38 -38.88 0.88 0.00 99.11 0.13 0.06 0.56 98.93 0.33 0.00 0.00 0.00 13 I H H 81.87 2.73 17.43 20.15 91.98 49.30 -65.58 -41.20 0.17 0.00 99.83 0.03 0.01 0.09 99.69 0.19 0.00 0.00 0.00 14 A H H 16.16 11.87 13.46 27.29 91.48 51.40 -63.02 -42.84 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 15 I H H 62.39 8.74 16.68 26.46 91.69 49.94 -63.94 -41.81 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 16 R H H 134.04 1.94 19.99 20.81 91.56 50.34 -64.31 -41.86 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 17 R H H 111.84 4.29 19.02 23.79 91.60 49.13 -64.71 -41.65 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 18 F H H 50.88 13.52 15.74 29.90 92.01 49.61 -64.26 -41.85 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 19 K H H 101.19 6.61 18.32 25.70 91.55 51.12 -63.32 -40.99 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 20 R H H 135.16 1.69 20.73 20.71 91.96 50.02 -64.69 -41.73 0.16 0.00 99.84 0.01 0.01 0.09 99.88 0.01 0.00 0.00 0.00 21 A H H 35.83 6.13 17.12 24.91 91.84 49.94 -64.11 -41.76 0.28 0.00 99.72 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 22 C H H 23.95 12.43 12.82 26.67 92.48 49.24 -64.75 -41.69 0.74 0.00 99.26 0.12 0.06 0.42 99.31 0.08 0.00 0.00 0.00 23 E H H 117.46 3.29 15.75 20.07 91.79 50.38 -64.28 -40.73 1.18 0.00 98.82 0.13 0.07 0.81 98.73 0.25 0.00 0.00 0.00 24 K H H 158.63 0.88 16.33 15.80 91.48 50.82 -66.03 -33.67 4.91 0.00 95.09 0.11 0.15 4.60 94.85 0.28 0.00 0.00 0.00 25 A C T 57.44 5.62 12.42 19.75 93.03 51.67 -83.55 -9.68 66.60 0.02 33.39 0.30 1.42 63.98 33.70 0.57 0.00 0.00 0.01 26 G C T 44.87 3.40 16.24 20.50 96.01 -112.99 79.64 12.90 98.90 0.01 1.09 2.25 3.05 93.65 0.94 0.09 0.00 0.00 0.01 27 V H H 46.58 9.17 13.55 24.56 95.05 124.39 -71.33 -34.38 14.68 0.08 85.24 10.88 1.75 2.02 84.64 0.63 0.00 0.02 0.06 28 L H H 62.68 9.63 14.31 25.04 92.73 56.75 -63.83 -41.57 2.45 0.01 97.54 0.60 0.30 1.35 96.85 0.89 0.00 0.00 0.00 29 S H H 58.95 2.47 17.47 19.77 92.23 51.10 -64.77 -40.31 1.21 0.01 98.78 0.32 0.12 0.65 97.95 0.95 0.00 0.01 0.00 30 D H H 75.28 3.14 16.58 20.09 92.50 50.57 -66.14 -40.40 0.96 0.01 99.03 0.21 0.10 0.54 98.36 0.78 0.00 0.00 0.00 31 V H H 47.49 8.16 12.84 22.78 92.76 51.10 -65.59 -41.36 1.57 0.01 98.41 0.30 0.17 0.95 97.92 0.65 0.00 0.00 0.00 32 R H H 127.99 3.60 14.05 18.79 92.75 51.66 -65.46 -39.38 4.40 0.02 95.57 0.75 0.43 2.98 94.86 0.95 0.01 0.01 0.01 33 K H H 132.75 1.81 13.73 15.72 93.67 52.68 -67.27 -36.60 12.37 0.05 87.58 1.67 1.13 9.27 86.30 1.55 0.02 0.02 0.03 34 R H H 139.72 3.30 11.67 16.13 96.94 52.34 -73.39 -33.26 19.30 0.14 80.57 3.24 2.75 13.64 77.31 2.85 0.07 0.05 0.09 35 E H H 133.66 2.23 12.21 15.24 97.64 40.42 -77.60 -27.41 37.32 0.19 62.49 3.53 4.69 28.95 58.23 4.31 0.08 0.07 0.13 36 F C T 133.07 3.07 11.50 15.73 103.36 33.87 -97.67 -13.42 57.89 0.56 41.54 9.10 10.24 38.46 36.73 4.80 0.07 0.23 0.38 37 Y C C 133.46 5.06 9.89 16.65 109.77 55.92 -99.32 79.59 78.52 2.79 18.69 46.35 14.91 17.14 14.19 4.51 0.01 1.27 1.61 38 E C C 106.91 4.92 11.00 17.70 115.47 100.50 -91.83 135.64 87.00 1.99 11.02 64.09 16.29 5.65 9.89 1.97 0.00 0.82 1.29 39 K C C 125.73 3.35 12.26 17.09 114.36 -113.93 -76.60 142.49 87.79 0.27 11.94 77.40 6.59 2.56 12.32 0.88 0.00 0.10 0.15 40 P H H 78.89 5.12 10.96 17.76 99.35 -107.29 -65.64 -33.56 48.59 0.28 51.13 28.80 5.08 13.21 49.53 3.12 0.00 0.13 0.13 41 T H H 81.40 2.86 12.32 16.01 96.61 56.73 -69.84 -33.33 35.02 0.30 64.69 19.77 4.75 10.17 62.11 2.92 0.01 0.13 0.14 42 Q H H 99.90 2.61 13.10 16.42 94.43 54.38 -67.18 -39.34 13.37 0.18 86.44 8.58 2.56 3.02 83.87 1.82 0.00 0.08 0.06 43 V H H 73.98 3.35 12.76 17.43 92.97 51.42 -65.53 -41.69 4.96 0.08 94.96 2.87 0.79 1.45 94.00 0.82 0.00 0.04 0.02 44 R H H 129.40 2.37 13.83 16.84 92.23 50.68 -64.86 -40.38 3.07 0.04 96.89 1.64 0.42 1.03 96.31 0.56 0.00 0.02 0.01 45 K H H 121.17 1.99 14.43 16.55 92.20 50.49 -65.04 -40.56 1.83 0.01 98.15 0.87 0.22 0.66 97.91 0.32 0.00 0.01 0.00 46 R H H 141.86 1.80 14.89 16.66 92.01 49.76 -65.33 -40.74 1.08 0.01 98.91 0.43 0.11 0.43 98.83 0.18 0.00 0.00 0.00 47 K H H 121.79 2.04 15.40 17.55 91.98 49.89 -64.96 -41.04 0.81 0.00 99.19 0.26 0.08 0.37 99.16 0.14 0.00 0.00 0.00 48 K H H 118.40 2.12 16.00 18.06 91.95 49.93 -64.55 -40.88 0.69 0.00 99.30 0.17 0.06 0.34 99.32 0.10 0.00 0.00 0.00 49 A H H 54.05 2.50 15.83 18.59 91.75 50.48 -63.90 -41.60 0.64 0.00 99.36 0.14 0.05 0.32 99.40 0.09 0.00 0.00 0.00 50 A H H 51.46 2.45 16.02 18.74 91.62 50.34 -63.95 -41.09 0.65 0.00 99.34 0.13 0.05 0.33 99.40 0.09 0.00 0.00 0.00 51 A H H 50.00 2.81 15.46 18.97 91.70 50.78 -63.91 -41.29 0.76 0.00 99.24 0.15 0.05 0.40 99.30 0.09 0.00 0.00 0.00 52 V H H 78.13 2.47 15.47 18.19 91.85 50.04 -64.11 -41.65 0.59 0.00 99.41 0.13 0.05 0.29 99.46 0.07 0.00 0.00 0.00 53 K H H 119.93 1.66 16.11 17.11 91.84 50.06 -64.53 -41.12 0.49 0.00 99.51 0.11 0.03 0.24 99.55 0.07 0.00 0.00 0.00 54 R H H 134.92 1.68 15.71 16.90 91.92 49.70 -64.54 -41.29 0.56 0.00 99.43 0.10 0.04 0.31 99.47 0.09 0.00 0.00 0.00 55 Y H H 124.45 2.29 14.94 17.50 91.85 49.79 -64.74 -41.43 0.52 0.00 99.47 0.09 0.04 0.29 99.49 0.09 0.00 0.00 0.00 56 K H H 115.75 1.93 15.21 17.05 91.78 50.44 -64.35 -40.93 0.55 0.00 99.45 0.09 0.04 0.31 99.46 0.09 0.00 0.00 0.00 57 K H H 114.34 1.69 15.40 16.62 91.74 50.50 -64.63 -40.82 0.69 0.00 99.31 0.12 0.05 0.40 99.33 0.11 0.00 0.00 0.00 58 K H H 113.06 1.92 15.27 17.04 91.80 50.32 -64.61 -41.06 0.79 0.00 99.21 0.14 0.06 0.45 99.23 0.12 0.00 0.00 0.00 59 L H H 86.23 2.29 14.46 17.13 91.76 50.02 -64.37 -41.06 0.87 0.00 99.13 0.17 0.07 0.47 99.14 0.15 0.00 0.00 0.00 60 Q H H 102.76 1.78 14.94 16.49 91.82 50.30 -64.65 -40.69 1.04 0.00 98.95 0.21 0.09 0.57 98.95 0.19 0.00 0.00 0.00 61 R H H 135.22 1.57 14.69 15.85 91.95 49.82 -64.97 -40.66 1.25 0.00 98.74 0.23 0.11 0.72 98.71 0.23 0.00 0.00 0.00 62 E H H 102.28 1.98 14.02 16.20 91.84 50.52 -64.83 -40.72 1.47 0.00 98.53 0.30 0.13 0.82 98.45 0.30 0.00 0.00 0.00 63 T H H 76.84 1.88 13.60 15.65 92.34 50.43 -65.39 -40.37 2.56 0.01 97.43 0.54 0.23 1.48 97.17 0.58 0.00 0.00 0.00 64 I H H 97.01 1.70 12.78 14.68 92.07 50.93 -65.66 -39.81 3.95 0.01 96.04 0.88 0.40 2.32 95.29 1.10 0.00 0.00 0.00 65 R H H 138.78 1.53 12.29 13.93 92.38 51.33 -66.46 -38.79 6.67 0.03 93.29 1.77 0.81 3.79 91.81 1.78 0.00 0.02 0.01 66 T H H 83.27 1.70 10.68 12.98 93.34 50.45 -68.55 -36.05 12.05 0.08 87.87 3.83 1.61 6.46 85.39 2.63 0.01 0.04 0.04 67 T H H 91.76 1.67 9.86 12.27 94.76 52.95 -71.04 -33.12 20.87 0.23 78.90 8.24 3.14 9.85 73.79 4.73 0.01 0.11 0.12 68 R H H 170.92 1.14 8.98 10.68 97.04 57.58 -74.09 -24.84 38.58 0.42 61.00 13.07 4.77 21.28 54.48 5.94 0.03 0.19 0.24 69 M C H 143.62 1.12 8.14 9.95 100.09 57.14 -82.04 -8.00 59.05 0.34 40.61 30.34 2.05 26.37 36.96 3.90 0.00 0.15 0.23 70 Y C C 160.65 2.85 9.59 13.96 104.79 80.33 -87.43 54.82 99.86 0.03 0.11 99.62 0.10 0.18 0.07 0.01 0.00 0.01 0.01