# 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 80.29 12.14 14.90 26.99 112.39 -163.48 -92.96 130.36 99.89 0.08 0.03 99.76 0.11 0.07 0.01 0.00 0.00 0.03 0.01 1 G C C 36.13 8.11 14.11 22.95 114.84 46.15 -39.53 -80.60 87.87 4.23 7.89 80.23 2.02 5.98 4.71 2.54 0.00 1.66 2.87 2 N C C 93.62 5.63 12.73 19.42 100.12 8.78 -77.79 -21.19 67.38 3.01 29.61 37.50 13.33 16.95 14.80 14.30 0.03 1.45 1.64 3 A C C 63.65 6.06 12.09 19.45 96.26 67.62 -69.62 -31.41 55.39 2.61 42.00 25.11 11.91 19.01 21.06 20.22 0.07 1.39 1.24 4 L H H 93.14 5.52 12.40 19.00 95.04 57.88 -72.12 -27.05 43.39 2.62 53.99 22.56 8.48 12.32 28.95 25.21 0.04 1.49 0.96 5 T H H 65.49 5.78 11.92 19.41 95.09 63.76 -72.55 -26.23 41.16 2.98 55.87 25.55 6.42 9.16 31.26 24.86 0.02 1.87 0.87 6 H H H 93.88 7.04 11.15 19.64 96.31 65.64 -75.46 -23.56 41.72 4.23 54.05 22.67 6.95 12.15 31.92 22.22 0.07 2.71 1.29 7 Y C H 139.78 4.56 11.85 17.77 96.34 63.24 -74.34 -27.56 50.37 3.01 46.62 23.36 8.87 18.34 30.05 16.29 0.08 1.81 1.21 8 M C C 123.29 2.99 12.26 16.19 98.95 45.59 -84.43 -23.58 68.16 1.81 30.03 28.50 20.89 20.16 20.90 7.64 0.04 0.82 1.06 9 K C C 98.95 5.29 10.74 17.86 111.57 35.48 -120.43 90.46 98.64 0.81 0.55 72.44 25.28 0.90 0.24 0.26 0.00 0.28 0.59 10 P C G 88.92 5.98 9.97 17.96 94.94 -168.23 -64.09 -23.87 57.08 0.41 42.51 9.09 5.37 38.07 1.31 45.78 0.00 0.24 0.13 11 D C G 118.42 1.53 14.19 15.84 94.53 61.63 -81.73 -7.07 55.83 0.51 43.66 6.15 6.38 39.38 1.37 46.25 0.00 0.30 0.17 12 V C G 64.04 9.02 11.88 22.28 107.35 71.89 -97.52 63.13 53.61 2.40 43.99 25.03 12.37 14.59 2.01 43.93 0.00 1.29 0.78 13 M C C 91.13 8.51 14.79 24.69 118.40 132.50 -93.77 134.81 98.09 1.59 0.32 51.61 46.12 0.57 0.12 0.15 0.00 0.59 0.83 14 P C C 40.62 15.64 12.18 27.78 114.62 -105.70 -66.11 150.96 97.45 2.39 0.15 86.64 10.04 0.53 0.05 0.10 0.00 0.84 1.80 15 G C C 33.11 6.14 16.63 24.01 108.86 -118.35 -87.52 116.91 98.85 1.02 0.13 95.93 2.56 0.27 0.03 0.07 0.00 0.29 0.85 16 P C T 72.34 11.30 10.52 22.58 93.15 -150.42 -67.61 -16.85 97.98 0.20 1.82 9.24 8.17 80.01 0.10 2.27 0.00 0.12 0.10 17 D C T 119.40 1.51 13.94 15.64 94.55 60.92 -85.16 -6.05 98.23 0.19 1.58 5.37 10.89 81.44 0.08 2.03 0.00 0.12 0.07 18 V C S 91.15 3.69 12.77 18.19 118.73 80.78 -101.86 135.06 98.71 0.63 0.66 29.49 68.23 1.03 0.12 0.42 0.00 0.19 0.52 19 V C C 103.47 4.69 13.10 19.76 114.96 -115.35 -74.79 141.61 99.65 0.29 0.06 93.46 6.02 0.18 0.02 0.03 0.00 0.10 0.20 20 P C C 42.88 16.04 8.92 24.32 114.59 -108.00 -66.01 146.41 99.20 0.50 0.29 97.32 1.33 0.63 0.07 0.15 0.00 0.18 0.32 21 T C C 112.66 1.55 17.14 18.30 98.33 -151.65 -90.77 -10.20 98.63 1.13 0.24 59.43 37.27 1.80 0.05 0.18 0.00 0.31 0.96 22 F C S 80.89 10.54 10.33 21.99 121.23 76.30 -103.70 141.73 97.20 2.63 0.18 36.15 60.13 0.54 0.06 0.08 0.00 0.48 2.56 23 D C C 77.49 5.70 14.54 21.62 108.40 -117.12 -83.62 117.68 99.68 0.22 0.10 97.66 1.90 0.17 0.03 0.04 0.00 0.07 0.14 24 P C T 71.51 9.63 10.95 22.02 93.34 -155.65 -64.76 -21.10 64.37 0.23 35.40 5.43 3.90 51.77 1.75 36.89 0.00 0.12 0.12 25 L C T 108.48 4.57 14.36 20.23 93.61 64.63 -83.00 -3.57 58.59 0.35 41.05 2.94 3.77 49.80 2.77 40.33 0.00 0.19 0.20 26 L C G 86.02 7.15 11.95 20.60 108.39 111.53 -76.73 116.50 56.61 0.51 42.88 3.50 7.15 42.97 2.01 43.79 0.00 0.26 0.31 27 G C T 45.99 4.27 13.81 19.35 104.91 -11.67 87.77 -4.15 87.93 0.41 11.65 10.95 11.56 64.23 1.75 10.99 0.00 0.21 0.31 28 F C C 76.06 11.65 8.08 19.89 110.04 112.86 -94.13 106.28 89.86 3.81 6.33 62.60 20.29 5.98 1.91 4.21 0.00 1.08 3.93 29 K C T 163.45 1.21 13.04 14.47 98.19 -131.27 -71.28 -18.72 87.29 1.74 10.97 31.63 19.14 36.44 1.71 9.31 0.00 0.79 0.98 30 S C T 88.16 1.76 12.51 14.77 99.22 37.47 -86.81 12.31 88.02 1.26 10.72 25.41 24.18 38.17 1.36 9.58 0.00 0.57 0.73 31 R C C 96.76 12.21 7.50 19.50 116.17 115.92 -86.72 136.55 91.98 1.79 6.23 72.46 13.42 5.45 1.44 5.12 0.00 0.74 1.37 32 K C C 135.85 2.72 14.20 18.22 118.69 -148.93 -94.40 143.40 96.25 2.24 1.51 88.03 6.91 1.29 0.61 0.77 0.00 0.93 1.46 33 E C C 130.94 4.51 13.83 20.24 113.67 -103.40 -72.84 138.57 95.44 3.94 0.62 92.82 2.51 0.48 0.27 0.24 0.00 1.57 2.12 34 R C C 103.85 12.11 10.62 23.08 115.69 -124.90 -84.17 137.78 96.05 3.63 0.32 94.46 1.85 0.29 0.13 0.12 0.00 1.52 1.63 35 V C C 91.51 5.62 16.22 23.28 119.06 -151.47 -105.36 135.16 96.12 3.72 0.16 94.67 1.93 0.17 0.06 0.06 0.00 1.96 1.15 36 M C C 73.39 14.21 13.57 27.80 114.74 -124.17 -80.46 135.31 94.89 4.97 0.14 93.77 1.75 0.19 0.06 0.05 0.00 3.05 1.13 37 I C C 85.41 8.54 20.23 29.05 112.91 -159.88 -101.27 119.45 87.63 12.09 0.27 84.26 3.40 0.24 0.18 0.09 0.00 5.74 6.09 38 A C C 11.52 21.40 11.99 32.79 120.48 -117.28 -97.05 139.91 97.52 2.31 0.17 93.36 4.33 0.18 0.11 0.05 0.00 1.11 0.88 39 T C C 57.50 4.32 22.21 26.25 124.75 -135.37 -89.40 165.98 98.71 0.92 0.37 97.87 0.99 0.12 0.29 0.04 0.00 0.30 0.39 40 Q H H 97.74 10.45 14.24 25.41 91.24 -103.95 -58.34 -38.28 1.50 0.00 98.50 0.35 0.25 0.68 98.50 0.22 0.00 0.00 0.00 41 E H H 128.84 1.25 19.79 19.18 91.39 53.25 -63.06 -40.57 0.73 0.00 99.27 0.14 0.07 0.39 99.17 0.23 0.00 0.00 0.00 42 E H H 53.47 10.23 16.51 28.04 92.02 49.09 -65.85 -40.27 0.31 0.00 99.69 0.05 0.02 0.16 99.48 0.27 0.00 0.00 0.00 43 M H H 10.18 21.43 11.62 32.96 91.66 50.41 -63.82 -42.92 0.35 0.00 99.65 0.06 0.02 0.19 99.47 0.26 0.00 0.00 0.00 44 E H H 112.64 4.27 18.21 23.45 91.69 49.91 -64.28 -40.75 1.27 0.00 98.73 0.08 0.05 1.01 98.42 0.44 0.00 0.00 0.00 45 S H H 77.87 2.20 18.63 20.66 91.07 52.59 -65.96 -31.23 7.43 0.00 92.57 0.13 0.18 7.36 91.78 0.53 0.00 0.00 0.00 46 A C T 24.46 15.40 13.16 29.08 93.83 53.87 -84.42 -3.40 78.11 0.02 21.87 0.73 1.89 74.51 21.97 0.86 0.00 0.01 0.03 47 K C T 155.82 2.02 20.85 22.82 94.02 -125.77 59.37 39.30 99.45 0.01 0.54 3.58 1.13 94.93 0.29 0.07 0.00 0.00 0.00 48 L C C 17.63 21.47 9.13 29.69 117.20 170.84 -82.62 137.30 99.85 0.11 0.04 87.70 12.05 0.08 0.02 0.01 0.00 0.02 0.12 49 P C C 62.44 3.92 20.73 24.78 113.59 -106.59 -65.06 146.02 99.78 0.08 0.15 99.57 0.21 0.08 0.03 0.05 0.00 0.02 0.04 50 L H G 89.47 12.29 12.89 25.39 91.80 -117.59 -58.44 -34.58 10.27 0.06 89.67 0.96 1.08 6.37 0.76 90.79 0.00 0.04 0.00 51 E H G 140.11 2.30 19.12 21.83 90.99 62.44 -69.25 -16.70 9.59 0.05 90.35 0.46 0.77 6.64 0.58 91.51 0.00 0.04 0.00 52 F H G 67.92 13.09 15.95 29.52 98.37 54.63 -98.76 2.62 11.82 0.14 88.04 2.25 1.69 5.51 0.87 89.58 0.00 0.10 0.01 53 R C C 44.17 20.09 14.68 33.77 110.11 99.09 -84.55 113.20 94.56 1.37 4.08 83.59 8.76 1.93 2.02 1.61 0.00 0.31 1.77 54 D C T 52.07 12.81 22.07 34.04 103.75 99.53 -85.52 -41.67 83.89 0.72 15.40 15.88 24.74 44.35 7.82 6.12 0.01 0.23 0.85 55 Y C T 98.22 11.95 23.74 34.95 99.05 -18.50 -74.44 -18.06 81.18 0.35 18.47 2.33 13.12 66.67 12.16 5.16 0.04 0.13 0.40 56 C C T 11.79 20.79 20.14 40.39 98.25 58.08 -92.80 -15.12 63.37 0.89 35.75 14.61 6.89 41.25 30.41 5.64 0.05 0.32 0.84 57 A H H 10.30 20.47 19.46 39.76 92.58 83.13 -61.38 -41.44 1.43 0.00 98.57 0.37 0.15 0.69 98.05 0.74 0.00 0.00 0.00 58 H H H 92.46 7.84 25.75 34.05 91.82 52.35 -64.54 -40.46 0.41 0.00 99.59 0.05 0.02 0.27 99.02 0.64 0.00 0.00 0.00 59 L H H 40.88 14.03 23.88 37.61 92.21 49.39 -65.96 -41.00 0.30 0.00 99.70 0.02 0.02 0.22 98.96 0.78 0.00 0.00 0.00 60 A H H 6.75 21.60 20.51 41.72 92.05 50.51 -64.27 -42.36 0.31 0.00 99.68 0.04 0.02 0.22 99.52 0.20 0.00 0.00 0.00 61 I H H 44.03 11.66 23.47 35.55 91.76 50.64 -63.86 -42.33 0.17 0.00 99.83 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 62 A H H 44.00 7.67 24.44 32.54 91.68 50.27 -64.12 -41.13 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 63 Y H H 24.75 18.80 19.56 38.13 92.01 50.00 -64.62 -42.49 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 64 Q H H 58.71 11.87 21.91 33.78 91.78 50.33 -63.62 -41.21 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 65 A H H 45.82 4.28 22.47 26.89 91.68 50.19 -64.14 -41.75 0.26 0.00 99.74 0.01 0.01 0.18 99.76 0.03 0.00 0.00 0.00 66 C H H 14.63 12.35 15.95 30.37 91.49 50.47 -63.57 -42.02 0.39 0.00 99.61 0.04 0.02 0.25 99.59 0.10 0.00 0.00 0.00 67 R H H 83.80 12.55 15.45 28.20 92.12 51.38 -64.57 -39.39 0.59 0.00 99.41 0.04 0.03 0.43 99.28 0.21 0.00 0.00 0.00 68 S H H 73.20 3.07 17.14 20.64 93.39 47.68 -70.78 -34.90 1.97 0.00 98.03 0.05 0.06 1.84 97.74 0.31 0.00 0.00 0.00 69 D H H 104.29 1.88 16.40 18.03 99.76 34.27 -92.33 -26.04 11.87 0.00 88.13 0.15 0.40 11.45 87.58 0.42 0.00 0.00 0.00 70 T H H 67.42 6.66 12.80 20.75 107.38 25.95 -116.45 3.45 38.71 0.16 61.14 2.55 5.65 29.33 61.53 0.69 0.06 0.03 0.16 71 F C C 87.93 8.79 10.11 20.26 116.06 146.25 -76.13 143.08 97.12 0.70 2.18 69.73 16.08 11.13 0.60 1.61 0.00 0.28 0.58 72 P C T 92.75 3.98 13.69 18.71 95.68 -3.90 -69.87 -13.08 96.75 0.26 2.99 6.14 42.08 48.29 0.29 2.88 0.00 0.12 0.19 73 F C C 111.04 4.47 13.54 19.35 104.94 56.30 -102.06 78.01 92.27 0.71 7.02 40.54 21.62 29.96 1.45 5.50 0.00 0.25 0.68 74 V H G 66.89 11.14 10.56 22.59 94.25 168.63 -63.33 -33.19 27.47 0.29 72.24 7.43 4.49 15.28 11.26 61.27 0.00 0.16 0.11 75 Y H G 165.12 1.91 15.95 18.08 91.45 59.92 -67.74 -27.58 16.06 0.08 83.86 1.63 1.60 11.83 10.96 73.91 0.00 0.05 0.02 76 K H G 112.24 4.73 16.51 22.17 92.67 58.58 -75.32 -19.92 15.05 0.08 84.87 1.79 1.64 10.80 10.28 75.43 0.00 0.05 0.02 77 C H G 13.99 18.43 10.12 28.56 98.72 52.13 -100.98 7.92 42.13 0.46 57.42 16.39 6.42 18.98 12.85 44.84 0.00 0.21 0.32 78 A H H 55.63 5.95 16.66 24.27 92.60 106.67 -59.80 -41.44 4.14 0.01 95.85 1.63 0.65 1.79 94.51 1.42 0.00 0.00 0.00 79 H H H 122.68 1.87 20.40 21.02 91.71 50.55 -64.87 -39.81 1.72 0.00 98.28 0.20 0.12 1.25 97.08 1.36 0.00 0.00 0.00 80 Q H H 39.12 13.46 16.40 30.56 91.97 50.06 -65.74 -40.70 0.85 0.00 99.15 0.14 0.05 0.54 98.05 1.21 0.00 0.00 0.00 81 K H H 68.97 13.35 17.01 30.39 91.55 51.68 -62.83 -41.94 0.37 0.00 99.63 0.08 0.03 0.19 99.49 0.20 0.00 0.00 0.00 82 H H H 103.77 2.55 21.85 23.27 91.61 49.86 -64.04 -41.71 0.25 0.00 99.75 0.04 0.01 0.14 99.75 0.06 0.00 0.00 0.00 83 E H H 88.53 5.31 21.05 26.71 91.82 49.95 -64.52 -41.47 0.14 0.00 99.85 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 84 Y H H 34.08 16.44 16.41 33.22 91.60 50.00 -63.74 -42.25 0.15 0.00 99.85 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 85 L H H 73.05 6.42 21.03 27.99 91.46 50.27 -63.26 -41.14 0.37 0.00 99.63 0.02 0.01 0.27 99.64 0.05 0.00 0.00 0.00 86 T H H 71.37 2.76 22.54 24.28 92.00 49.55 -64.91 -41.65 1.03 0.00 98.96 0.07 0.04 0.75 99.07 0.07 0.00 0.00 0.00 87 C H H 21.54 11.93 17.52 31.08 91.95 51.00 -64.07 -42.28 1.07 0.00 98.93 0.13 0.07 0.67 98.99 0.13 0.00 0.00 0.00 88 E H H 67.56 11.32 19.15 30.77 91.89 51.16 -63.74 -41.59 0.46 0.00 99.54 0.05 0.02 0.29 99.56 0.08 0.00 0.00 0.00 89 Y H H 117.86 3.56 21.38 24.59 92.05 49.85 -64.36 -42.30 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 90 E H H 93.06 4.19 21.03 25.31 91.89 49.55 -64.74 -41.48 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 91 D H H 29.79 12.61 16.45 30.26 91.94 50.22 -64.68 -41.26 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 92 Y H H 92.81 7.33 19.15 27.27 91.88 50.20 -64.17 -41.71 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 93 V H H 73.47 3.06 20.42 23.05 91.73 49.74 -64.12 -42.46 0.22 0.00 99.78 0.03 0.01 0.13 99.80 0.02 0.00 0.00 0.00 94 L H H 65.68 6.29 18.67 26.02 91.96 49.46 -64.76 -41.19 0.37 0.00 99.63 0.07 0.03 0.22 99.64 0.04 0.00 0.00 0.00 95 R H H 82.41 9.97 17.13 27.80 91.96 50.04 -64.37 -41.15 0.64 0.00 99.36 0.14 0.05 0.39 99.36 0.05 0.00 0.00 0.00 96 M H H 89.06 4.29 18.99 23.52 91.79 50.38 -64.32 -41.09 0.50 0.00 99.49 0.11 0.04 0.29 99.50 0.05 0.00 0.00 0.00 97 K H H 106.64 2.68 19.44 21.71 91.54 49.86 -64.58 -40.96 0.46 0.00 99.53 0.12 0.04 0.24 99.55 0.05 0.00 0.00 0.00 98 E H H 66.93 7.20 16.92 25.41 91.68 50.35 -64.25 -41.45 0.48 0.00 99.52 0.12 0.04 0.26 99.53 0.05 0.00 0.00 0.00 99 F H H 79.86 6.26 17.19 24.40 91.71 49.75 -64.25 -41.37 0.48 0.00 99.52 0.11 0.04 0.26 99.54 0.06 0.00 0.00 0.00 100 E H H 92.30 2.83 18.58 21.29 91.45 50.55 -63.55 -41.77 0.41 0.00 99.59 0.09 0.03 0.22 99.61 0.04 0.00 0.00 0.00 101 R H H 113.85 3.68 17.85 21.94 91.81 49.79 -64.77 -40.90 0.44 0.00 99.56 0.07 0.03 0.25 99.60 0.04 0.00 0.00 0.00 102 E H H 73.32 6.42 16.13 23.69 91.77 50.28 -64.19 -40.94 0.49 0.00 99.51 0.09 0.04 0.28 99.56 0.04 0.00 0.00 0.00 103 R H H 123.61 3.16 17.89 20.98 91.59 50.13 -64.15 -40.97 0.53 0.00 99.47 0.09 0.04 0.29 99.53 0.05 0.00 0.00 0.00 104 R H H 123.24 2.21 17.97 19.74 91.61 50.11 -64.60 -41.21 0.58 0.00 99.42 0.11 0.04 0.31 99.48 0.06 0.00 0.00 0.00 105 L H H 66.25 4.72 15.96 21.96 91.73 50.06 -64.56 -41.00 0.63 0.00 99.37 0.10 0.04 0.37 99.41 0.08 0.00 0.00 0.00 106 L H H 76.16 3.81 16.10 20.66 91.71 50.30 -64.16 -40.87 0.63 0.00 99.37 0.10 0.04 0.35 99.43 0.07 0.00 0.00 0.00 107 E H H 98.98 2.14 16.88 18.65 91.64 50.39 -64.17 -41.34 0.55 0.00 99.45 0.10 0.04 0.29 99.51 0.06 0.00 0.00 0.00 108 R H H 119.53 2.57 15.65 18.56 91.73 50.06 -64.97 -40.70 0.57 0.00 99.43 0.10 0.04 0.29 99.49 0.07 0.00 0.00 0.00 109 Q H H 89.21 3.32 14.65 18.84 91.73 50.65 -64.40 -40.58 0.73 0.00 99.27 0.13 0.05 0.39 99.34 0.09 0.00 0.00 0.00 110 K H H 114.00 1.86 14.92 16.59 91.71 50.55 -64.54 -40.60 1.12 0.00 98.88 0.22 0.08 0.60 98.94 0.15 0.00 0.00 0.00 111 R H H 131.87 1.60 14.07 15.48 91.90 50.38 -65.06 -40.86 1.69 0.01 98.30 0.43 0.15 0.89 98.27 0.26 0.00 0.00 0.00 112 L H H 90.47 2.63 11.86 15.60 92.19 50.16 -65.16 -39.94 2.43 0.01 97.56 0.66 0.26 1.27 97.36 0.45 0.00 0.00 0.00 113 N H H 108.65 1.62 11.56 13.78 92.42 51.13 -66.21 -36.99 5.95 0.02 94.03 1.20 0.56 3.65 93.72 0.85 0.00 0.01 0.01 114 K H H 156.10 0.90 11.12 11.85 93.02 51.68 -68.89 -31.57 18.59 0.04 81.37 2.85 1.38 13.29 81.29 1.14 0.01 0.01 0.02 115 A H H 84.30 1.40 9.88 11.95 95.49 54.02 -76.56 -19.76 43.34 0.10 56.56 16.33 1.03 23.05 58.55 0.92 0.00 0.03 0.07 116 A C C 69.76 4.26 10.12 16.01 101.17 78.54 -76.38 -4.10 99.86 0.01 0.12 99.42 0.14 0.31 0.11 0.01 0.00 0.01 0.00