# 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 97.09 5.95 11.48 18.92 111.21 -140.49 -84.97 126.15 99.85 0.02 0.13 99.77 0.06 0.06 0.09 0.00 0.00 0.01 0.01 1 K C C 138.81 2.21 10.32 13.67 97.35 -146.14 -69.16 -31.41 53.15 0.46 46.40 48.16 0.97 4.07 45.06 1.37 0.00 0.17 0.22 2 R H H 160.37 1.59 9.93 12.28 94.93 62.07 -67.14 -36.37 28.41 0.37 71.22 18.46 4.51 5.83 68.48 2.41 0.00 0.16 0.15 3 Q H H 110.98 1.89 11.12 13.73 94.04 53.42 -67.58 -37.42 19.70 0.32 79.99 13.17 2.92 4.16 76.70 2.79 0.00 0.15 0.11 4 K H H 108.62 3.75 12.01 17.26 93.17 52.44 -66.11 -38.98 12.84 0.23 86.93 8.22 2.02 3.17 83.92 2.47 0.00 0.11 0.08 5 R H H 118.75 3.99 13.38 18.66 92.98 51.73 -66.44 -39.76 11.15 0.12 88.73 6.72 1.69 2.74 87.40 1.36 0.00 0.05 0.04 6 D H H 80.04 2.21 16.07 18.18 92.65 50.91 -65.75 -39.88 11.57 0.08 88.35 7.63 1.29 2.31 87.95 0.76 0.00 0.03 0.03 7 R H H 116.43 4.52 17.13 22.53 92.25 50.81 -65.47 -40.62 4.20 0.03 95.77 2.02 0.55 1.44 95.53 0.44 0.00 0.01 0.01 8 L H H 47.70 12.03 15.23 28.13 92.06 50.65 -64.98 -40.83 2.57 0.01 97.42 1.04 0.31 1.01 97.32 0.31 0.00 0.01 0.01 9 E H H 99.11 3.92 20.55 24.47 91.49 51.04 -63.81 -41.36 1.72 0.01 98.28 0.62 0.18 0.70 98.29 0.20 0.00 0.00 0.00 10 R H H 122.37 2.50 22.03 23.55 91.69 49.66 -64.35 -41.58 1.22 0.00 98.78 0.44 0.11 0.50 98.79 0.15 0.00 0.00 0.00 11 A H H 17.17 12.81 16.86 31.31 91.68 50.48 -63.20 -42.42 0.92 0.00 99.07 0.26 0.08 0.46 99.03 0.16 0.00 0.00 0.00 12 H H H 65.84 12.71 19.39 32.10 91.65 50.22 -63.33 -42.08 1.29 0.00 98.71 0.24 0.10 0.81 98.62 0.21 0.00 0.00 0.00 13 Q H H 100.96 2.72 23.95 25.60 91.60 49.45 -64.46 -41.84 2.19 0.00 97.81 0.28 0.16 1.57 97.80 0.18 0.00 0.00 0.00 14 R H H 116.19 4.52 23.42 28.02 91.97 47.93 -65.76 -40.84 2.17 0.00 97.83 0.21 0.16 1.53 97.97 0.13 0.00 0.00 0.00 15 G H H 8.20 17.99 16.56 35.07 92.45 51.40 -63.35 -43.79 1.89 0.00 98.11 0.23 0.13 1.28 98.20 0.16 0.00 0.00 0.00 16 Y H H 85.18 9.93 21.46 31.54 91.65 49.14 -63.68 -42.34 0.63 0.00 99.36 0.13 0.05 0.38 99.30 0.15 0.00 0.00 0.00 17 Q H H 103.21 2.30 24.79 25.78 91.76 49.25 -63.94 -42.01 0.45 0.00 99.55 0.07 0.03 0.28 99.43 0.18 0.00 0.00 0.00 18 A H H 21.19 9.14 17.66 28.93 91.67 49.92 -63.89 -41.93 0.59 0.00 99.41 0.07 0.04 0.40 99.18 0.33 0.00 0.00 0.00 19 G H H 15.99 14.96 14.43 30.00 92.14 51.39 -64.43 -41.36 1.96 0.00 98.04 0.12 0.09 1.60 97.29 0.90 0.00 0.00 0.00 20 I H H 105.46 5.63 17.90 24.14 92.58 48.77 -69.86 -31.85 7.02 0.01 92.97 0.24 0.37 6.34 92.18 0.84 0.01 0.00 0.00 21 A C T 76.78 2.08 17.18 18.88 93.85 52.23 -84.75 -8.22 53.93 0.04 46.03 0.81 2.16 49.84 46.19 0.95 0.01 0.01 0.04 22 G C T 51.11 4.93 14.16 20.59 96.90 -113.74 77.31 15.54 99.45 0.02 0.53 7.49 2.32 89.83 0.26 0.09 0.00 0.01 0.01 23 R C C 105.18 7.15 12.65 21.60 119.08 150.55 -84.42 146.53 99.11 0.62 0.27 92.00 6.69 0.36 0.13 0.09 0.00 0.23 0.50 24 S C C 56.28 3.89 18.01 22.22 117.33 -106.72 -71.45 156.63 98.00 1.73 0.27 97.34 0.60 0.18 0.07 0.09 0.00 0.31 1.42 25 K H G 102.38 13.08 10.82 23.84 92.30 -113.91 -61.05 -32.33 45.05 0.14 54.81 1.70 4.66 35.90 1.16 56.44 0.00 0.07 0.07 26 E H G 155.26 1.04 16.46 16.77 91.68 62.76 -70.05 -20.66 46.37 0.14 53.50 0.95 3.66 39.21 1.00 55.05 0.00 0.07 0.06 27 M H G 118.78 3.13 15.62 19.44 98.41 48.76 -97.95 1.67 42.04 0.62 57.34 5.10 7.44 27.51 1.69 57.63 0.00 0.31 0.31 28 C C C 19.45 18.61 7.45 25.03 114.09 119.73 -75.28 132.43 97.63 0.55 1.81 66.92 27.00 3.37 0.39 1.52 0.00 0.16 0.65 29 P C T 78.76 4.64 18.10 23.78 93.97 -143.09 -71.23 -15.17 95.98 0.37 3.65 27.11 27.33 40.95 0.39 3.80 0.00 0.16 0.26 30 Y C C 72.61 13.26 10.11 23.62 112.10 77.08 -98.61 108.71 93.38 0.96 5.66 42.44 17.61 32.79 0.85 5.18 0.00 0.35 0.78 31 Q C C 134.63 2.71 14.67 18.81 97.55 -159.05 -81.94 -21.27 95.37 0.38 4.25 44.30 36.00 15.04 1.16 2.99 0.00 0.13 0.37 32 T C C 74.07 3.26 13.35 17.82 122.62 58.11 -110.64 147.14 96.30 0.55 3.15 48.85 39.37 8.10 1.35 1.54 0.00 0.16 0.63 33 L H H 114.94 3.68 11.65 17.28 93.23 -127.71 -62.36 -36.00 36.17 0.23 63.60 5.68 12.23 18.59 54.70 8.43 0.07 0.08 0.20 34 N H H 122.18 0.98 16.16 15.92 92.35 54.94 -65.40 -37.62 32.56 0.07 67.36 2.48 4.33 24.79 59.62 8.64 0.04 0.03 0.06 35 Q H H 56.75 9.39 13.72 24.58 93.61 48.00 -70.65 -35.69 23.17 0.18 76.66 4.56 2.68 15.42 67.56 9.54 0.04 0.08 0.11 36 R H H 70.34 14.41 13.38 27.90 91.55 56.88 -60.79 -42.86 1.88 0.00 98.11 0.67 0.22 0.79 97.64 0.68 0.00 0.00 0.00 37 S H H 64.37 2.38 21.21 22.71 91.38 50.97 -64.38 -40.95 0.51 0.00 99.49 0.08 0.03 0.30 99.14 0.45 0.00 0.00 0.00 38 Q H H 91.95 4.31 21.80 25.95 91.82 49.56 -64.84 -41.91 0.24 0.00 99.76 0.03 0.01 0.15 99.45 0.35 0.00 0.00 0.00 39 W H H 27.33 19.21 16.84 36.19 91.85 49.16 -64.26 -43.47 0.23 0.00 99.77 0.02 0.01 0.15 99.67 0.15 0.00 0.00 0.00 40 L H H 56.00 10.87 21.35 32.66 91.51 49.16 -63.77 -41.61 0.26 0.00 99.74 0.02 0.01 0.18 99.72 0.07 0.00 0.00 0.00 41 G H H 32.91 2.68 23.77 25.49 91.18 50.63 -63.08 -42.30 0.36 0.00 99.64 0.02 0.01 0.25 99.66 0.05 0.00 0.00 0.00 42 G H H 13.69 10.66 19.75 31.94 91.72 50.99 -63.36 -42.46 0.39 0.00 99.61 0.03 0.02 0.28 99.62 0.05 0.00 0.00 0.00 43 W H H 42.40 17.73 18.26 35.84 91.93 50.05 -63.86 -42.55 0.14 0.00 99.86 0.01 0.00 0.08 99.86 0.03 0.00 0.00 0.00 44 R H H 126.04 4.06 23.17 27.48 91.37 50.42 -63.54 -42.20 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 45 E H H 104.06 2.58 23.33 24.70 91.55 49.31 -64.44 -41.81 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 46 A H H 14.54 13.46 16.03 31.15 91.83 50.52 -64.00 -42.52 0.73 0.00 99.26 0.08 0.04 0.47 99.32 0.09 0.00 0.00 0.00 47 M H H 64.74 10.12 17.52 28.55 92.11 50.08 -64.34 -41.02 1.72 0.00 98.27 0.33 0.14 1.02 98.25 0.26 0.00 0.00 0.00 48 A H H 62.98 1.99 18.81 19.83 91.91 50.97 -64.62 -40.40 4.18 0.01 95.81 0.84 0.37 2.62 95.65 0.50 0.00 0.00 0.01 49 D H H 81.08 3.50 15.85 20.03 93.81 49.43 -67.97 -36.49 9.37 0.05 90.58 2.23 0.94 5.67 90.10 1.01 0.00 0.02 0.03 50 R H H 105.51 8.25 11.81 21.19 94.29 53.94 -67.33 -37.78 11.70 0.12 88.19 4.22 1.49 5.82 85.37 2.99 0.01 0.05 0.06 51 V H H 98.60 2.72 11.85 15.72 95.34 53.20 -69.99 -33.72 17.82 0.28 81.90 6.64 2.23 8.82 77.67 4.35 0.02 0.14 0.12 52 V H H 117.79 1.23 10.68 12.14 97.35 54.54 -74.80 -25.68 29.20 0.52 70.28 10.81 3.58 15.29 66.08 3.71 0.03 0.25 0.26 53 M C H 133.67 2.07 8.29 11.76 100.33 59.67 -83.90 -9.78 50.43 0.54 49.03 28.97 1.58 19.04 47.89 1.98 0.00 0.22 0.32 54 A C C 78.21 3.47 10.19 15.37 103.87 83.75 -79.94 7.60 99.93 0.02 0.05 99.82 0.06 0.08 0.03 0.00 0.00 0.01 0.00