# 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 93.92 9.56 11.32 21.68 114.88 -145.28 -86.10 136.09 99.97 0.02 0.01 99.88 0.09 0.02 0.00 0.00 0.00 0.00 0.01 1 D C C 83.09 4.21 12.10 17.89 110.97 -124.00 -82.53 126.81 94.86 0.06 5.08 93.76 0.34 0.60 5.17 0.08 0.00 0.01 0.04 2 P H H 101.30 2.73 11.08 15.33 93.22 -133.11 -61.50 -34.43 10.56 0.02 89.43 3.16 1.20 5.40 89.11 1.11 0.00 0.01 0.01 3 T H H 97.33 1.34 13.67 14.73 92.63 53.07 -65.90 -39.16 5.21 0.02 94.77 1.35 0.61 2.91 94.01 1.08 0.00 0.01 0.01 4 I H H 74.65 6.33 13.10 20.77 92.64 47.86 -66.55 -40.63 2.12 0.02 97.86 0.80 0.26 0.95 97.05 0.92 0.00 0.01 0.00 5 A H H 42.55 8.19 13.91 23.58 91.72 51.02 -63.85 -41.53 1.42 0.01 98.57 0.49 0.15 0.64 98.30 0.42 0.00 0.00 0.00 6 A H H 60.15 2.32 18.52 20.24 91.58 50.27 -64.10 -40.93 1.38 0.00 98.62 0.24 0.10 0.85 98.50 0.31 0.00 0.00 0.00 7 G H H 35.07 3.55 18.43 22.34 91.80 49.90 -64.45 -41.00 1.78 0.00 98.21 0.22 0.11 1.24 98.10 0.32 0.00 0.00 0.00 8 A H H 33.64 11.76 15.79 28.35 91.85 51.42 -64.83 -41.09 1.70 0.00 98.30 0.22 0.11 1.11 98.26 0.29 0.00 0.00 0.00 9 L H H 86.94 6.52 19.64 26.74 91.57 50.55 -63.74 -41.35 1.30 0.00 98.70 0.18 0.08 0.83 98.66 0.25 0.00 0.00 0.00 10 I H H 107.36 1.74 23.13 23.05 91.69 48.76 -64.22 -42.16 0.80 0.00 99.20 0.10 0.05 0.49 99.18 0.18 0.00 0.00 0.00 11 G H H 27.85 6.42 20.01 27.30 91.91 49.61 -64.21 -42.12 0.79 0.00 99.21 0.08 0.04 0.50 99.18 0.19 0.00 0.00 0.00 12 G H H 17.71 13.39 17.32 31.35 91.49 51.23 -63.74 -41.74 0.79 0.00 99.21 0.08 0.04 0.53 99.15 0.19 0.00 0.00 0.00 13 G H H 34.69 5.31 21.13 26.85 91.74 51.34 -63.65 -41.76 0.67 0.00 99.32 0.07 0.03 0.42 99.30 0.17 0.00 0.00 0.00 14 L H H 97.38 2.49 23.53 24.89 91.53 49.59 -64.29 -41.97 0.58 0.00 99.42 0.06 0.03 0.36 99.37 0.18 0.00 0.00 0.00 15 I H H 64.82 10.01 19.99 30.30 91.84 49.50 -64.85 -41.73 0.85 0.00 99.14 0.08 0.04 0.58 99.08 0.21 0.00 0.00 0.00 16 M H H 71.24 11.65 19.90 31.54 91.65 50.17 -64.04 -41.71 0.94 0.00 99.06 0.10 0.05 0.62 99.04 0.19 0.00 0.00 0.00 17 A H H 61.51 3.15 23.66 26.23 91.74 49.88 -64.05 -42.13 0.77 0.00 99.22 0.08 0.04 0.51 99.18 0.19 0.00 0.00 0.00 18 G H H 34.42 4.27 22.78 27.02 91.65 49.48 -64.33 -41.93 0.94 0.00 99.06 0.06 0.05 0.71 98.90 0.28 0.00 0.00 0.00 19 G H H 17.79 13.28 18.00 31.92 91.85 50.64 -64.27 -41.44 1.36 0.00 98.64 0.10 0.07 1.05 98.43 0.35 0.00 0.00 0.00 20 A H H 48.69 8.47 21.09 29.86 91.89 50.65 -63.94 -41.78 1.60 0.00 98.40 0.17 0.11 1.11 98.32 0.29 0.00 0.00 0.00 21 I H H 103.55 2.15 24.90 25.45 91.55 48.96 -64.32 -42.37 1.41 0.00 98.59 0.17 0.10 0.89 98.63 0.20 0.00 0.00 0.00 22 G H H 28.66 6.63 21.42 28.66 91.83 50.05 -64.20 -42.21 1.32 0.00 98.68 0.19 0.09 0.77 98.76 0.18 0.00 0.00 0.00 23 A H H 29.94 12.91 18.06 31.54 91.57 50.71 -63.93 -41.08 1.23 0.00 98.77 0.15 0.08 0.77 98.80 0.19 0.00 0.00 0.00 24 G H H 34.67 5.49 21.68 27.54 92.02 50.83 -63.89 -42.08 1.12 0.00 98.87 0.15 0.08 0.72 98.89 0.16 0.00 0.00 0.00 25 I H H 100.73 2.45 23.91 25.02 91.92 48.38 -64.70 -42.00 0.78 0.00 99.21 0.10 0.06 0.49 99.23 0.12 0.00 0.00 0.00 26 G H H 23.24 9.06 19.30 29.39 91.74 49.85 -64.29 -41.95 0.71 0.00 99.29 0.08 0.05 0.44 99.34 0.09 0.00 0.00 0.00 27 D H H 55.93 10.73 19.14 30.26 91.68 50.39 -64.41 -40.41 0.68 0.00 99.32 0.07 0.04 0.44 99.36 0.08 0.00 0.00 0.00 28 G H H 36.87 3.96 21.46 25.43 91.98 51.02 -63.82 -41.95 0.68 0.00 99.32 0.08 0.04 0.42 99.38 0.08 0.00 0.00 0.00 29 V H H 84.23 3.24 22.50 24.90 91.98 48.49 -65.04 -41.85 0.48 0.00 99.52 0.05 0.03 0.30 99.55 0.06 0.00 0.00 0.00 30 A H H 36.04 9.16 18.40 28.71 91.67 49.63 -63.80 -41.88 0.42 0.00 99.58 0.04 0.02 0.27 99.61 0.06 0.00 0.00 0.00 31 G H H 26.80 8.40 18.14 27.69 91.81 50.65 -63.31 -41.85 0.46 0.00 99.54 0.05 0.02 0.28 99.60 0.06 0.00 0.00 0.00 32 N H H 93.48 2.49 21.66 23.35 91.88 50.15 -64.63 -40.92 0.30 0.00 99.70 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 33 A H H 57.01 4.23 20.30 24.46 92.04 50.18 -64.84 -40.92 0.33 0.00 99.66 0.03 0.01 0.22 99.69 0.06 0.00 0.00 0.00 34 L H H 63.55 10.19 17.42 28.33 92.08 49.75 -64.77 -41.34 0.51 0.00 99.49 0.05 0.02 0.32 99.54 0.07 0.00 0.00 0.00 35 I H H 83.74 5.40 18.81 24.94 92.03 49.36 -64.36 -41.80 0.63 0.00 99.37 0.08 0.03 0.37 99.45 0.07 0.00 0.00 0.00 36 S H H 61.48 2.05 20.47 21.12 91.83 49.88 -64.40 -40.92 0.98 0.00 99.02 0.09 0.05 0.66 99.05 0.15 0.00 0.00 0.00 37 G H H 21.87 6.38 15.72 24.10 91.65 50.90 -63.99 -40.54 1.52 0.00 98.48 0.11 0.09 1.13 98.23 0.43 0.00 0.00 0.00 38 V H H 48.78 9.80 13.09 24.36 92.29 51.08 -65.91 -37.55 1.91 0.00 98.09 0.11 0.11 1.54 97.47 0.77 0.00 0.00 0.00 39 A H H 74.21 2.39 15.19 18.16 91.54 54.37 -67.16 -32.46 7.53 0.00 92.47 0.17 0.24 7.20 91.65 0.74 0.00 0.00 0.00 40 R H H 171.08 1.16 15.07 15.40 95.54 44.92 -81.74 -25.85 22.16 0.01 77.83 0.27 1.02 20.81 77.29 0.58 0.01 0.00 0.01 41 Q C C 79.43 6.01 10.83 18.77 111.40 30.16 -129.18 84.24 99.74 0.06 0.20 80.84 18.65 0.24 0.14 0.04 0.00 0.01 0.07 42 P H G 92.69 3.94 11.28 17.53 93.02 172.75 -62.01 -31.27 13.70 0.03 86.27 1.21 0.81 9.98 4.18 83.79 0.00 0.02 0.00 43 E H G 152.96 0.88 14.98 14.80 90.86 60.98 -70.29 -18.88 12.23 0.03 87.74 0.71 0.72 9.73 4.35 84.45 0.00 0.02 0.00 44 A H G 27.85 10.41 10.22 22.46 95.25 58.35 -88.54 -5.71 11.00 0.05 88.95 3.28 1.13 5.19 7.09 83.27 0.00 0.04 0.01 45 Q H H 84.99 9.93 11.99 23.14 92.60 95.88 -59.24 -41.80 8.31 0.02 91.66 1.70 0.85 4.98 73.65 18.79 0.00 0.01 0.01 46 G H H 52.28 1.22 17.34 17.22 92.01 50.44 -63.50 -37.09 5.52 0.01 94.48 0.41 0.30 4.11 75.30 19.87 0.00 0.00 0.00 47 R H H 142.20 2.39 16.89 19.32 92.49 50.83 -68.83 -36.74 4.72 0.01 95.26 0.45 0.31 3.37 77.11 18.76 0.00 0.01 0.00 48 L H H 38.70 14.45 12.05 26.82 92.91 51.05 -68.02 -38.08 9.28 0.05 90.67 1.04 0.87 6.77 78.11 13.14 0.02 0.03 0.02 49 F H H 102.49 7.56 16.45 24.93 92.18 52.93 -65.54 -38.89 9.80 0.03 90.16 1.53 1.18 6.94 87.78 2.53 0.01 0.01 0.02 50 T H H 77.61 1.91 19.45 19.95 92.34 52.04 -64.28 -42.64 4.34 0.01 95.64 1.34 0.60 2.33 93.99 1.72 0.00 0.00 0.01 51 P H H 58.42 5.67 17.78 24.59 92.00 49.39 -65.32 -40.35 2.60 0.01 97.39 0.64 0.18 1.61 95.87 1.69 0.00 0.01 0.00 52 F H H 52.16 14.76 14.11 29.11 91.79 50.88 -64.14 -40.68 1.30 0.01 98.70 0.26 0.10 0.82 97.52 1.30 0.00 0.00 0.00 53 F H H 116.28 4.43 18.59 23.83 91.80 50.37 -64.19 -41.09 0.62 0.01 99.37 0.12 0.05 0.38 99.16 0.28 0.00 0.00 0.00 54 I H H 104.96 1.75 20.89 20.94 91.93 48.59 -64.66 -41.93 0.47 0.01 99.52 0.10 0.04 0.29 99.44 0.13 0.00 0.00 0.00 55 T H H 41.97 10.03 17.78 28.86 92.30 48.50 -65.57 -41.29 0.51 0.00 99.49 0.10 0.04 0.31 99.44 0.12 0.00 0.00 0.00 56 V H H 37.29 14.00 16.56 30.98 91.84 50.55 -63.65 -41.59 0.39 0.00 99.61 0.05 0.02 0.26 99.55 0.12 0.00 0.00 0.00 57 G H H 35.89 3.38 20.64 23.95 91.39 50.85 -63.40 -41.26 0.75 0.00 99.25 0.07 0.03 0.55 99.18 0.16 0.00 0.00 0.00 58 L H H 90.96 3.15 21.88 24.51 91.94 49.11 -65.35 -41.36 0.77 0.00 99.23 0.06 0.04 0.58 99.17 0.15 0.00 0.00 0.00 59 V H H 27.31 14.81 16.74 32.20 92.00 49.77 -64.48 -41.97 0.38 0.00 99.62 0.05 0.02 0.23 99.58 0.11 0.00 0.00 0.00 60 E H H 79.00 8.82 19.75 29.12 91.76 51.55 -63.85 -40.97 0.41 0.00 99.59 0.04 0.02 0.27 99.56 0.10 0.00 0.00 0.00 61 A H H 57.76 2.35 21.90 22.99 91.43 50.95 -63.76 -41.34 0.39 0.00 99.60 0.04 0.02 0.26 99.58 0.11 0.00 0.00 0.00 62 A H H 37.26 8.41 18.43 28.05 91.80 51.04 -64.68 -40.96 0.38 0.00 99.62 0.04 0.01 0.27 99.56 0.12 0.00 0.00 0.00 63 Y H H 66.34 13.91 16.62 30.66 91.91 51.41 -64.13 -41.44 0.56 0.00 99.44 0.05 0.02 0.42 99.37 0.13 0.00 0.00 0.00 64 F H H 118.61 2.79 20.89 23.23 91.82 50.04 -64.34 -41.75 0.31 0.00 99.69 0.03 0.01 0.21 99.67 0.07 0.00 0.00 0.00 65 I H H 92.98 2.75 20.76 22.77 91.69 49.32 -64.34 -42.05 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 66 N H H 35.59 12.50 15.75 29.32 91.95 50.92 -64.34 -41.53 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 67 L H H 75.70 7.18 18.48 26.49 91.91 50.51 -64.20 -41.17 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 68 A H H 60.26 2.22 19.93 21.13 91.56 50.54 -64.08 -41.98 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.04 0.00 0.00 0.00 69 F H H 91.22 5.84 18.05 24.82 92.03 49.46 -65.09 -41.32 0.14 0.00 99.86 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 70 M H H 56.80 11.16 15.20 27.34 91.80 51.47 -63.91 -41.49 0.22 0.00 99.78 0.01 0.01 0.16 99.72 0.10 0.00 0.00 0.00 71 A H H 58.04 3.20 17.45 21.10 91.57 51.07 -63.76 -41.12 0.41 0.00 99.59 0.03 0.01 0.30 99.43 0.23 0.00 0.00 0.00 72 L H H 94.51 2.30 17.25 19.24 91.88 50.31 -65.54 -40.68 0.85 0.00 99.15 0.06 0.04 0.65 98.71 0.55 0.00 0.00 0.00 73 F H H 81.97 8.04 13.88 23.34 92.43 49.39 -66.70 -39.73 2.32 0.01 97.68 0.20 0.14 1.80 96.64 1.21 0.00 0.00 0.00 74 V H H 72.89 6.69 13.35 21.43 92.49 49.26 -67.00 -37.98 7.58 0.02 92.40 0.62 0.55 6.14 90.77 1.89 0.01 0.01 0.01 75 F H H 152.10 1.37 14.41 15.37 94.56 47.51 -76.89 -23.77 21.37 0.11 78.52 2.51 2.24 16.53 76.35 2.23 0.03 0.04 0.07 76 A H H 69.13 3.41 11.77 16.48 97.19 56.08 -82.19 -19.18 43.82 0.64 55.54 10.48 10.07 24.63 51.79 2.32 0.09 0.24 0.38 77 T C S 72.58 6.97 9.28 17.65 111.88 70.16 -96.47 113.50 84.33 1.47 14.20 33.67 40.99 9.33 12.48 2.13 0.01 0.55 0.84 78 P C C 94.05 3.41 10.38 15.60 107.53 -135.68 -73.29 128.82 89.21 1.45 9.34 66.72 9.97 12.53 5.71 3.57 0.00 0.82 0.69 79 V C C 105.98 3.99 8.62 14.53 110.28 -145.04 -89.95 114.73 92.80 1.58 5.63 84.45 1.80 7.43 2.94 1.75 0.00 0.87 0.76 80 K C C 152.53 2.35 11.90 15.76 111.99 -138.07 -90.31 125.87 99.96 0.03 0.01 99.92 0.04 0.02 0.00 0.00 0.00 0.01 0.00