# 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 105.81 4.59 11.38 17.26 110.64 -152.17 -85.62 126.56 99.90 0.04 0.06 99.81 0.08 0.05 0.03 0.00 0.00 0.01 0.01 1 A C C 71.10 2.74 9.69 13.74 98.63 71.56 -69.97 -33.66 54.61 0.38 45.01 48.17 1.14 5.97 41.98 2.38 0.00 0.16 0.19 2 T H H 93.52 1.88 9.52 12.38 95.21 59.21 -68.78 -36.32 29.35 0.39 70.26 17.07 5.43 8.19 63.63 5.31 0.01 0.18 0.17 3 E H H 125.89 1.68 10.58 12.98 93.91 54.70 -67.48 -37.22 17.17 0.33 82.50 9.32 3.18 5.63 73.79 7.77 0.01 0.19 0.11 4 Y H H 140.88 2.06 10.73 13.74 93.70 52.23 -67.97 -37.68 15.36 0.35 84.29 8.48 2.74 5.18 76.08 7.19 0.01 0.20 0.11 5 R H H 139.33 2.20 11.69 14.78 94.12 53.07 -68.33 -37.26 18.74 0.38 80.89 10.64 3.52 6.03 75.25 4.21 0.01 0.19 0.14 6 T H H 75.62 2.72 12.07 15.74 96.06 54.24 -69.92 -37.66 25.38 0.32 74.30 14.56 4.45 7.09 71.31 2.32 0.01 0.13 0.13 7 A H H 62.87 2.64 12.66 16.05 93.89 53.34 -66.51 -38.66 23.56 0.22 76.22 10.80 3.86 9.28 73.83 2.02 0.01 0.09 0.11 8 S H H 62.58 2.48 12.65 15.81 93.22 52.02 -66.02 -39.49 19.24 0.18 80.58 8.08 2.88 8.77 77.85 2.23 0.01 0.08 0.09 9 W H H 141.31 2.72 12.32 16.05 92.87 51.59 -65.79 -39.68 9.20 0.11 90.69 4.23 1.46 3.98 88.06 2.15 0.01 0.05 0.05 10 K H H 120.08 2.10 13.00 15.70 92.41 51.84 -65.12 -40.06 5.81 0.10 94.09 2.49 0.89 2.80 91.58 2.13 0.01 0.05 0.04 11 L H H 96.16 1.93 13.04 15.24 92.18 50.22 -65.65 -40.61 2.93 0.04 97.04 0.90 0.43 1.66 94.48 2.49 0.01 0.02 0.01 12 W H H 141.44 2.95 11.96 16.05 93.07 50.24 -66.91 -38.35 2.33 0.02 97.64 0.60 0.30 1.38 94.18 3.51 0.00 0.01 0.01 13 L H H 99.53 3.02 11.90 16.14 93.63 51.24 -68.41 -35.71 5.65 0.04 94.31 0.84 0.56 4.21 89.48 4.86 0.01 0.02 0.02 14 I H H 118.95 1.51 13.11 14.50 95.52 47.12 -74.47 -33.02 12.08 0.06 87.86 1.13 1.14 9.97 84.87 2.79 0.04 0.02 0.03 15 L H H 102.76 2.93 11.83 15.62 101.98 48.91 -88.47 -12.20 28.66 0.29 71.05 5.00 9.15 15.93 68.03 1.47 0.11 0.07 0.25 16 D C C 70.39 4.55 11.21 17.56 106.36 67.77 -93.68 94.72 92.37 0.19 7.44 84.57 5.33 1.76 7.75 0.43 0.00 0.06 0.10 17 P H H 79.20 4.24 11.33 17.65 94.26 -168.39 -62.60 -33.54 15.04 0.09 84.87 5.27 1.79 8.04 79.56 5.23 0.01 0.05 0.05 18 R H H 151.44 1.71 13.68 15.65 92.31 54.64 -65.39 -38.96 8.58 0.06 91.36 1.49 0.88 5.98 86.31 5.27 0.02 0.03 0.02 19 R H H 131.52 2.34 14.12 16.90 92.56 50.05 -66.73 -39.80 6.42 0.08 93.50 1.74 0.70 3.76 87.50 6.22 0.01 0.04 0.02 20 V H H 69.83 3.93 12.93 18.42 92.20 50.42 -64.67 -41.69 3.97 0.04 95.99 1.41 0.49 1.94 94.76 1.36 0.00 0.02 0.02 21 L H H 91.95 2.50 14.49 17.53 92.06 50.33 -64.73 -41.17 1.24 0.01 98.75 0.43 0.12 0.54 98.66 0.25 0.00 0.00 0.00 22 T H H 76.52 1.82 15.17 16.70 91.86 49.84 -64.47 -41.58 0.43 0.00 99.57 0.10 0.03 0.21 99.54 0.12 0.00 0.00 0.00 23 A H H 55.64 2.36 14.39 17.30 91.63 50.13 -63.87 -40.93 0.25 0.00 99.75 0.04 0.01 0.14 99.71 0.10 0.00 0.00 0.00 24 L H H 89.22 2.88 14.20 17.92 91.92 50.16 -64.85 -40.40 0.24 0.00 99.76 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 25 F H H 117.18 2.38 14.66 17.47 92.06 50.57 -65.09 -40.64 0.30 0.00 99.70 0.03 0.01 0.20 99.70 0.07 0.00 0.00 0.00 26 V H H 87.95 1.64 15.40 16.47 91.99 50.15 -64.79 -41.70 0.31 0.00 99.69 0.03 0.01 0.22 99.70 0.05 0.00 0.00 0.00 27 Y H H 130.05 2.00 14.94 16.93 92.04 49.48 -65.19 -41.13 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 28 L H H 88.30 3.28 14.12 18.39 92.12 50.40 -64.62 -41.30 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 29 T H H 77.92 2.31 15.10 17.66 91.88 50.26 -64.58 -41.09 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 V H H 86.74 1.64 16.15 16.96 92.00 49.78 -64.74 -41.80 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 31 I H H 89.73 2.55 15.72 18.50 91.87 49.10 -64.83 -41.70 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 32 A H H 46.72 4.68 13.83 20.25 91.54 51.03 -62.82 -41.52 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 33 L H H 94.26 2.31 16.08 18.45 91.77 50.47 -64.43 -40.98 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 L H H 96.95 1.70 16.60 17.48 91.86 50.16 -64.64 -41.39 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 35 I H H 86.52 3.59 15.37 19.75 91.95 49.05 -64.85 -42.02 0.16 0.00 99.83 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 36 H H H 90.70 5.34 14.29 21.03 92.05 50.27 -63.96 -41.12 0.34 0.00 99.66 0.02 0.01 0.26 99.51 0.19 0.00 0.00 0.00 37 F H H 122.85 1.85 16.03 17.51 91.89 49.94 -64.52 -40.90 0.51 0.00 99.49 0.03 0.02 0.42 99.07 0.46 0.00 0.00 0.00 38 G H H 39.55 2.17 15.33 17.53 91.99 50.68 -64.77 -40.87 1.51 0.00 98.49 0.07 0.06 1.31 97.48 1.07 0.00 0.00 0.00 39 L H H 74.35 5.53 12.76 19.96 92.78 49.67 -66.58 -36.51 5.56 0.01 94.42 0.26 0.30 4.95 92.42 2.04 0.01 0.01 0.01 40 L H H 94.25 4.64 12.24 18.49 92.80 54.24 -72.06 -25.59 24.47 0.14 75.39 1.83 1.96 20.70 72.47 2.81 0.08 0.06 0.09 41 S C T 84.87 1.40 13.28 14.59 94.99 56.70 -84.43 -7.30 61.20 0.65 38.15 8.87 7.01 44.24 35.64 3.52 0.05 0.27 0.40 42 T C S 62.26 5.46 8.82 16.39 119.06 90.54 -89.65 151.38 82.87 1.95 15.18 27.14 42.84 12.58 12.30 3.00 0.02 0.63 1.49 43 D C T 126.78 1.18 11.99 13.61 95.71 -131.58 -72.96 -16.45 70.14 0.63 29.23 12.06 19.61 39.30 12.86 15.31 0.03 0.28 0.57 44 R C T 160.41 2.21 11.98 15.27 97.25 67.65 -78.59 -13.54 67.29 0.81 31.90 12.02 14.77 40.92 14.16 17.05 0.03 0.38 0.66 45 L C C 80.25 7.07 9.81 18.42 104.60 57.00 -94.86 40.52 62.55 3.22 34.23 25.51 15.29 23.10 14.86 17.70 0.08 1.43 2.02 46 N C C 70.40 5.81 11.31 19.01 108.88 125.94 -90.98 101.72 71.22 3.07 25.71 52.49 8.69 9.58 17.62 8.32 0.01 1.47 1.83 47 W H H 142.84 4.82 11.67 18.14 95.27 -156.60 -69.04 -29.84 47.08 1.33 51.59 13.04 9.66 24.55 32.95 18.18 0.17 0.66 0.79 48 W H H 152.37 3.01 12.09 16.22 94.90 58.75 -71.59 -29.51 41.84 1.23 56.93 10.55 8.03 22.59 37.82 19.49 0.20 0.64 0.68 49 E H H 116.39 2.82 12.11 15.95 95.34 60.45 -70.36 -31.98 36.08 1.08 62.83 14.57 7.23 14.33 42.32 20.40 0.07 0.56 0.51 50 F H H 120.12 4.17 10.54 16.25 98.20 59.30 -76.27 -23.99 40.04 1.07 58.89 18.10 8.15 14.58 41.88 16.15 0.07 0.52 0.55 51 Q H H 114.98 3.63 10.06 15.30 100.66 64.06 -79.73 -8.16 44.83 1.27 53.90 23.42 7.94 14.18 38.10 15.03 0.04 0.63 0.66 52 R C H 170.58 1.84 10.31 13.34 103.62 76.49 -81.72 45.09 56.31 1.17 42.52 19.35 11.60 26.65 28.95 12.08 0.08 0.53 0.75 53 G C T 56.85 1.97 10.61 13.88 106.59 -23.18 62.51 17.77 72.00 1.14 26.86 28.18 15.82 29.53 16.25 8.93 0.02 0.47 0.80 54 L C C 107.43 3.92 7.69 13.66 115.94 108.60 -87.05 139.93 94.17 1.31 4.53 53.86 37.51 2.97 2.96 1.35 0.00 0.48 0.87 55 P C C 104.48 2.11 8.92 12.69 112.51 -105.43 -68.60 146.31 89.50 1.66 8.84 75.43 6.91 7.39 3.61 4.91 0.00 0.91 0.83 56 K C C 165.59 1.27 7.98 10.75 111.86 -114.35 -82.84 133.70 84.55 4.46 11.00 61.42 10.95 12.20 3.69 7.10 0.00 2.51 2.13 57 A C C 90.11 1.90 6.64 10.44 112.02 -115.48 -84.57 134.00 90.98 2.87 6.15 83.36 1.40 7.62 2.05 2.62 0.00 1.65 1.29 58 A C C 86.03 2.43 9.69 13.79 110.62 -116.86 -82.40 128.98 99.90 0.08 0.02 99.81 0.09 0.05 0.01 0.00 0.00 0.04 0.01