# 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 65.62 4.28 12.30 17.86 110.59 -141.14 -84.47 141.94 99.90 0.03 0.08 99.71 0.14 0.08 0.05 0.00 0.00 0.01 0.00 1 D C C 101.64 2.37 10.61 14.02 98.42 -70.72 -74.92 -26.40 69.94 0.30 29.76 63.07 1.32 4.10 30.37 0.89 0.00 0.09 0.17 2 E H H 133.65 1.41 10.75 12.62 93.78 58.87 -66.63 -38.03 11.25 0.07 88.68 5.12 1.90 4.28 87.25 1.39 0.00 0.03 0.03 3 A H H 66.81 1.95 11.35 14.11 92.38 51.59 -65.65 -40.35 5.41 0.03 94.56 2.12 0.79 2.43 93.31 1.32 0.00 0.01 0.01 4 D H H 88.46 1.97 12.72 15.22 92.44 50.25 -65.83 -39.87 2.88 0.02 97.10 1.32 0.40 1.19 96.02 1.05 0.00 0.01 0.01 5 E H H 112.87 1.72 13.89 15.59 92.17 50.71 -65.24 -40.34 1.61 0.01 98.38 0.58 0.19 0.73 98.04 0.45 0.00 0.00 0.00 6 A H H 57.59 2.27 14.11 16.88 91.82 50.86 -64.38 -41.18 1.38 0.01 98.61 0.42 0.14 0.67 98.51 0.26 0.00 0.00 0.00 7 Y H H 126.92 2.43 14.68 17.52 92.19 50.02 -65.35 -40.62 1.11 0.00 98.88 0.36 0.11 0.50 98.88 0.14 0.00 0.00 0.00 8 S H H 57.27 2.56 14.97 17.98 91.95 51.11 -64.37 -41.42 0.95 0.00 99.04 0.34 0.08 0.41 99.09 0.08 0.00 0.00 0.00 9 V H H 83.41 1.91 15.74 17.31 92.10 49.57 -64.58 -41.94 0.49 0.00 99.50 0.14 0.04 0.22 99.55 0.04 0.00 0.00 0.00 10 T H H 72.85 2.54 15.51 18.39 92.02 49.79 -64.44 -41.72 0.34 0.00 99.66 0.09 0.02 0.15 99.70 0.03 0.00 0.00 0.00 11 E H H 99.88 3.38 15.21 19.39 91.81 50.36 -64.53 -40.82 0.28 0.00 99.72 0.05 0.01 0.14 99.76 0.03 0.00 0.00 0.00 12 Q H H 108.66 2.10 15.97 18.06 91.98 50.15 -64.35 -40.82 0.36 0.00 99.64 0.06 0.02 0.20 99.68 0.04 0.00 0.00 0.00 13 L H H 96.62 2.17 16.14 18.23 92.04 49.73 -65.16 -41.14 0.66 0.00 99.33 0.12 0.04 0.37 99.39 0.07 0.00 0.00 0.00 14 T H H 70.11 4.43 15.77 20.99 92.13 49.37 -65.42 -41.41 1.46 0.01 98.54 0.29 0.12 0.84 98.63 0.12 0.00 0.00 0.00 15 M H H 97.57 3.68 16.48 20.71 92.46 49.39 -65.51 -40.62 2.88 0.01 97.10 0.62 0.29 1.68 97.18 0.22 0.00 0.00 0.01 16 T H H 73.00 2.23 17.99 19.60 92.27 50.08 -64.85 -41.60 4.18 0.02 95.80 1.22 0.49 2.08 95.93 0.26 0.00 0.01 0.01 17 G H H 28.15 4.73 16.64 22.69 92.11 51.00 -63.93 -42.07 4.76 0.02 95.21 1.54 0.51 2.36 95.21 0.37 0.00 0.01 0.01 18 I H H 66.12 7.72 15.89 24.69 92.29 49.59 -64.78 -41.55 1.94 0.01 98.05 0.63 0.21 0.93 97.90 0.32 0.00 0.01 0.00 19 N H H 83.75 3.07 18.04 21.25 91.88 50.86 -64.39 -40.88 1.56 0.01 98.43 0.51 0.16 0.74 98.28 0.30 0.00 0.01 0.00 20 R H H 132.11 2.00 18.51 19.71 91.93 50.09 -64.95 -41.21 1.57 0.01 98.42 0.44 0.15 0.82 98.24 0.33 0.00 0.01 0.00 21 I H H 61.13 7.60 15.74 24.71 92.16 49.77 -64.73 -42.05 1.49 0.02 98.49 0.41 0.16 0.79 98.26 0.37 0.00 0.01 0.00 22 R H H 107.33 7.97 15.76 24.52 91.92 51.70 -63.41 -40.62 2.04 0.02 97.94 0.54 0.20 1.14 97.47 0.63 0.00 0.01 0.00 23 Q H H 107.62 1.80 17.82 18.76 92.09 50.54 -65.22 -40.08 4.59 0.04 95.37 0.90 0.44 3.09 94.33 1.19 0.01 0.02 0.01 24 K H H 109.26 2.75 16.66 19.55 92.34 49.94 -66.23 -39.55 9.14 0.12 90.74 2.08 1.18 6.03 88.87 1.69 0.03 0.06 0.05 25 I H H 48.14 10.06 11.21 22.70 93.54 49.91 -66.73 -39.45 17.24 0.70 82.06 7.13 3.32 7.87 79.06 1.94 0.05 0.31 0.32 26 N H H 101.91 3.53 13.02 17.83 93.60 52.33 -66.99 -34.96 28.90 0.82 70.28 14.56 3.75 11.89 64.46 4.50 0.04 0.45 0.35 27 A H H 88.98 1.10 12.66 13.55 93.80 54.73 -70.55 -25.33 38.51 0.89 60.60 9.38 6.48 23.54 52.98 6.54 0.14 0.43 0.49 28 H C T 134.30 2.33 11.73 14.98 98.19 46.47 -91.16 -0.36 59.57 0.66 39.78 8.37 10.77 39.88 33.26 6.83 0.08 0.27 0.55 29 G C T 58.59 1.59 13.44 15.54 98.50 -112.78 78.03 15.87 98.05 0.35 1.60 29.05 17.66 51.53 0.53 0.89 0.00 0.18 0.15 30 I C C 70.96 9.20 10.20 20.96 116.48 143.06 -93.50 132.02 98.44 1.37 0.18 80.89 17.00 0.63 0.07 0.11 0.00 0.67 0.64 31 P C C 72.59 6.02 17.26 24.34 112.51 -113.79 -68.63 141.42 98.01 1.77 0.22 94.80 2.69 0.67 0.05 0.13 0.00 1.08 0.57 32 V C C 57.19 14.34 15.46 29.67 118.39 -160.06 -107.66 133.79 89.26 10.24 0.50 69.39 17.98 1.73 0.18 0.38 0.00 6.45 3.90 33 Y C C 66.52 13.60 17.69 31.69 122.46 -151.80 -114.66 137.63 77.02 22.58 0.40 53.73 21.44 2.14 0.11 0.36 0.00 19.57 2.65 34 L E B 67.46 9.72 21.06 31.35 125.88 -153.23 -114.02 141.66 17.00 82.83 0.16 14.40 1.10 0.05 0.16 0.04 0.00 21.96 62.29 35 C C C 10.28 19.49 12.02 32.40 109.53 -112.81 -68.33 129.93 85.75 14.20 0.05 87.48 0.51 0.05 0.02 0.02 0.00 8.82 3.09 36 E C T 115.17 5.21 18.64 25.00 93.43 -150.45 -70.40 -26.71 99.68 0.12 0.20 0.32 4.68 94.78 0.01 0.12 0.00 0.06 0.04 37 A C T 62.20 6.22 16.34 23.63 99.60 45.02 -80.96 -41.86 99.80 0.05 0.16 0.04 1.66 98.19 0.00 0.08 0.00 0.02 0.01 38 C C T 67.98 4.88 14.74 20.91 101.94 18.96 -107.88 -14.27 99.83 0.05 0.13 0.13 2.49 97.26 0.00 0.08 0.00 0.02 0.01 39 G C C 45.97 5.02 13.64 20.42 95.36 -123.70 80.16 5.87 99.40 0.52 0.08 72.23 24.00 3.13 0.02 0.07 0.00 0.20 0.35 40 N C C 79.90 4.05 15.85 21.48 119.27 137.61 -78.48 148.24 98.17 1.80 0.02 72.12 26.20 0.18 0.00 0.02 0.00 0.93 0.54 41 P E B 88.38 4.82 18.68 24.56 115.23 -97.73 -64.43 146.40 8.90 91.02 0.07 4.95 0.45 0.01 0.06 0.01 0.00 6.09 88.43 42 I C C 14.28 23.27 8.91 31.42 113.50 -111.83 -77.60 134.22 98.30 1.64 0.06 95.19 3.32 0.10 0.03 0.02 0.00 1.08 0.27 43 P C C 63.09 4.76 18.03 23.68 114.09 -106.43 -64.33 148.10 99.30 0.20 0.51 98.57 0.67 0.20 0.36 0.04 0.00 0.06 0.10 44 E H H 133.06 3.38 13.86 18.99 91.96 -112.55 -58.28 -37.93 6.42 0.03 93.55 1.34 1.04 3.72 84.94 8.93 0.01 0.01 0.01 45 A H H 61.92 2.93 15.85 19.32 91.54 56.78 -63.14 -36.08 4.21 0.02 95.77 0.51 0.40 2.89 84.07 12.11 0.01 0.01 0.01 46 R H H 57.77 14.42 12.27 26.88 92.53 50.83 -69.29 -32.55 2.15 0.01 97.83 0.31 0.20 1.39 86.04 12.04 0.00 0.01 0.00 47 R H H 86.43 13.37 12.12 25.60 91.53 58.98 -65.27 -32.19 5.52 0.03 94.45 0.56 0.46 4.06 86.79 8.07 0.03 0.01 0.01 48 K H H 152.41 1.38 18.13 18.78 91.98 55.37 -68.41 -31.71 27.58 0.05 72.38 0.64 1.23 26.00 67.25 4.78 0.05 0.02 0.04 49 I H H 83.04 7.30 16.04 24.20 97.40 43.44 -82.90 -34.04 32.23 0.07 67.71 0.50 2.85 29.41 65.23 1.86 0.08 0.02 0.06 50 F C S 44.31 16.18 11.23 27.36 111.54 29.50 -129.02 80.66 99.63 0.23 0.15 40.11 59.16 0.35 0.10 0.03 0.00 0.04 0.22 51 P C T 87.10 4.53 16.52 22.71 111.06 -157.83 -65.44 135.10 98.93 0.09 0.98 0.88 2.53 95.53 0.06 0.92 0.00 0.04 0.04 52 G C T 49.92 3.97 18.67 23.36 95.91 23.63 83.08 -1.00 99.12 0.07 0.81 0.81 2.26 95.99 0.04 0.84 0.00 0.04 0.02 53 V C C 23.58 18.32 12.77 31.42 115.42 131.91 -78.15 136.03 96.45 2.83 0.73 86.49 8.52 1.38 0.08 0.79 0.00 2.36 0.37 54 T C C 60.34 9.55 23.46 33.16 120.65 -158.28 -110.26 131.92 51.90 47.88 0.23 49.08 2.58 0.42 0.10 0.15 0.00 39.75 7.92 55 L E E 24.56 18.21 18.06 36.09 135.44 164.25 -137.60 156.13 26.80 73.10 0.10 24.38 1.95 0.06 0.10 0.03 0.00 41.75 31.72 56 C C C 16.96 14.31 17.01 32.77 115.43 -106.32 -70.36 149.76 85.44 14.47 0.10 86.04 0.96 0.04 0.07 0.02 0.00 11.63 1.23 57 V H H 77.49 6.30 19.32 26.83 91.67 -117.48 -59.41 -37.20 1.42 0.00 98.58 0.25 0.19 0.80 98.46 0.31 0.00 0.00 0.00 58 E H H 114.57 2.85 21.69 24.26 91.79 53.36 -64.40 -40.40 0.66 0.00 99.34 0.07 0.04 0.46 99.07 0.36 0.00 0.00 0.00 59 C H H 16.88 14.70 15.56 31.33 92.46 48.78 -66.50 -41.41 0.32 0.00 99.68 0.05 0.02 0.20 99.33 0.41 0.00 0.00 0.00 60 Q H H 67.01 9.91 17.42 28.17 91.86 51.81 -63.34 -41.58 0.13 0.00 99.87 0.02 0.01 0.06 99.82 0.09 0.00 0.00 0.00 61 A H H 53.06 2.39 19.57 21.32 91.34 50.87 -63.46 -42.11 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 62 Y H H 98.86 4.75 17.50 23.24 91.90 49.55 -64.77 -41.75 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.04 0.00 0.00 0.00 63 Q H H 58.25 9.23 14.29 25.06 91.97 50.31 -64.52 -41.15 0.33 0.00 99.67 0.04 0.02 0.20 99.68 0.07 0.00 0.00 0.00 64 E H H 102.37 2.36 16.42 18.80 91.84 50.22 -64.42 -40.98 0.93 0.00 99.07 0.12 0.05 0.62 99.05 0.15 0.00 0.00 0.00 65 R H H 139.78 1.41 15.60 16.16 92.09 49.61 -65.15 -40.50 2.55 0.00 97.45 0.28 0.17 1.84 97.38 0.33 0.00 0.00 0.00 66 Q H H 86.43 3.99 12.52 18.03 92.46 49.58 -66.29 -38.44 6.00 0.01 93.98 1.14 0.62 3.80 93.65 0.76 0.00 0.00 0.01 67 R H H 134.26 2.87 11.81 15.99 92.43 52.28 -65.76 -37.46 10.15 0.05 89.80 3.10 1.24 5.65 86.74 3.23 0.00 0.02 0.03 68 K H H 143.96 1.10 11.94 12.85 92.98 52.43 -67.32 -36.07 15.48 0.08 84.44 3.40 1.66 9.96 78.38 6.51 0.02 0.04 0.04 69 H H H 141.37 1.32 10.42 12.15 95.26 49.32 -74.25 -29.42 26.88 0.17 72.94 5.86 2.72 17.96 67.65 5.61 0.02 0.08 0.10 70 Y H H 159.54 2.23 8.57 12.18 101.03 46.29 -91.69 -4.09 48.34 0.35 51.30 24.56 1.82 21.60 49.14 2.51 0.00 0.14 0.22 71 A C C 76.01 3.11 10.53 15.19 104.90 90.48 -77.79 22.09 99.90 0.03 0.07 99.74 0.07 0.11 0.06 0.00 0.00 0.01 0.00