# 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 E C C 90.33 7.84 14.04 23.08 117.63 -151.63 -86.67 148.39 99.94 0.03 0.02 99.80 0.14 0.03 0.01 0.00 0.00 0.01 0.01 1 T C C 69.66 3.71 16.66 20.77 118.44 -114.79 -80.60 160.12 91.66 0.94 7.40 89.16 0.97 1.20 7.53 0.30 0.00 0.23 0.62 2 F H H 79.70 14.18 10.66 24.66 93.55 -107.82 -60.32 -38.26 3.23 0.01 96.77 0.90 0.55 1.51 96.61 0.42 0.00 0.00 0.00 3 E H H 128.13 2.32 16.11 19.02 91.94 52.94 -64.62 -39.37 1.31 0.00 98.69 0.24 0.14 0.77 98.43 0.42 0.00 0.00 0.00 4 E H H 108.51 2.07 18.12 19.48 92.36 49.22 -65.98 -40.62 0.51 0.00 99.49 0.11 0.05 0.28 99.21 0.36 0.00 0.00 0.00 5 F H H 30.15 14.62 14.64 30.25 91.96 49.81 -64.24 -42.55 0.31 0.00 99.69 0.07 0.02 0.15 99.64 0.11 0.00 0.00 0.00 6 T H H 29.00 14.24 16.29 31.20 91.64 50.73 -63.34 -41.82 0.31 0.00 99.69 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 7 A H H 55.64 2.37 21.80 23.00 91.44 50.85 -63.65 -41.44 0.25 0.00 99.75 0.03 0.01 0.16 99.77 0.04 0.00 0.00 0.00 8 R H H 105.07 4.77 21.57 26.50 91.73 49.73 -64.56 -42.06 0.28 0.00 99.72 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 9 Y H H 15.70 20.72 15.58 36.41 91.83 49.45 -64.26 -42.53 0.32 0.00 99.68 0.04 0.01 0.19 99.70 0.06 0.00 0.00 0.00 10 E H H 70.24 11.41 19.22 30.89 91.56 51.67 -62.86 -41.54 0.25 0.00 99.75 0.02 0.01 0.16 99.73 0.07 0.00 0.00 0.00 11 K H H 125.99 1.42 23.37 22.22 91.72 50.01 -64.37 -41.80 0.57 0.00 99.43 0.04 0.03 0.43 99.12 0.39 0.00 0.00 0.00 12 E H H 56.31 9.82 18.75 29.65 92.17 49.04 -65.34 -40.70 1.73 0.00 98.27 0.10 0.08 1.43 97.43 0.97 0.00 0.00 0.00 13 F H H 13.38 22.64 12.55 34.86 91.94 50.84 -67.52 -34.77 5.18 0.00 94.82 0.45 0.34 4.09 92.08 3.02 0.00 0.00 0.00 14 D H H 92.65 5.35 18.88 25.34 91.40 59.52 -68.31 -23.84 31.28 0.03 68.69 1.26 1.51 28.18 65.63 3.38 0.01 0.01 0.03 15 E C T 136.02 1.80 20.16 20.92 94.98 50.80 -89.61 -8.68 60.14 0.07 39.79 3.90 4.62 50.37 37.11 3.90 0.01 0.03 0.07 16 A C C 21.84 18.28 8.95 26.42 113.35 102.92 -78.59 130.63 96.57 0.26 3.18 89.28 4.40 3.12 2.30 0.59 0.00 0.08 0.22 17 Y C C 161.38 3.28 17.88 22.26 101.36 -176.72 -103.60 -12.58 98.80 0.28 0.92 82.32 14.58 1.93 0.56 0.26 0.00 0.09 0.26 18 D C C 74.94 4.18 18.66 23.32 123.01 62.40 -110.67 141.13 97.53 1.37 1.10 68.80 27.38 1.00 0.84 0.23 0.00 0.25 1.50 19 L H H 67.79 14.39 12.80 27.31 93.01 -131.95 -60.99 -36.90 3.00 0.00 96.99 0.60 0.61 1.50 96.85 0.43 0.00 0.00 0.00 20 F H H 129.92 2.40 19.47 21.60 91.65 55.01 -64.13 -40.74 0.96 0.00 99.04 0.08 0.07 0.70 98.66 0.49 0.00 0.00 0.00 21 E H H 74.25 6.59 19.49 27.08 91.84 49.12 -65.55 -40.51 0.30 0.00 99.70 0.04 0.02 0.18 99.29 0.47 0.00 0.00 0.00 22 V H H 5.96 22.91 14.23 37.49 91.45 50.61 -63.20 -43.25 0.11 0.00 99.89 0.01 0.01 0.07 99.76 0.16 0.00 0.00 0.00 23 Q H H 65.67 11.89 20.84 32.68 91.52 51.54 -63.04 -41.17 0.15 0.00 99.85 0.01 0.01 0.10 99.79 0.09 0.00 0.00 0.00 24 R H H 130.51 2.34 24.91 25.99 91.66 50.43 -63.97 -42.02 0.27 0.00 99.73 0.02 0.01 0.21 99.62 0.14 0.00 0.00 0.00 25 V H H 22.08 15.58 20.41 36.25 91.76 49.12 -64.53 -42.39 0.63 0.00 99.36 0.04 0.03 0.50 99.16 0.27 0.00 0.00 0.00 26 L H H 11.15 23.05 17.95 40.71 91.30 50.20 -63.61 -42.05 1.97 0.00 98.03 0.16 0.12 1.50 97.56 0.65 0.00 0.00 0.00 27 N H H 76.05 6.11 22.88 29.21 91.62 51.43 -64.46 -40.15 9.25 0.02 90.73 0.69 0.62 7.77 88.90 1.97 0.02 0.01 0.01 28 N H H 74.95 4.63 22.57 27.15 92.29 49.63 -66.48 -38.72 18.57 0.14 81.29 1.84 2.02 14.94 75.94 4.93 0.16 0.06 0.11 29 C H H 10.46 19.76 14.60 34.43 92.72 52.95 -65.86 -39.29 21.60 0.36 78.04 3.62 3.31 14.65 67.44 10.29 0.28 0.17 0.24 30 F H H 79.07 13.48 16.48 29.72 93.47 50.05 -69.57 -33.92 28.37 0.87 70.76 5.62 4.74 18.02 56.17 14.03 0.46 0.42 0.55 31 S H H 79.82 2.28 18.16 20.36 93.18 52.50 -71.89 -28.49 40.88 0.78 58.34 5.70 6.73 27.66 45.63 13.00 0.35 0.37 0.55 32 Y C T 131.43 5.15 16.19 22.24 104.25 34.60 -101.86 -1.01 66.69 0.98 32.33 7.98 15.88 42.73 22.56 9.44 0.13 0.39 0.88 33 D C T 81.53 9.83 15.89 26.24 102.88 -121.59 -31.03 58.19 89.87 1.30 8.84 35.84 18.12 36.74 4.23 3.64 0.00 0.51 0.92 34 L C C 62.14 14.06 17.52 31.29 105.14 145.05 -87.18 55.47 94.10 3.08 2.82 53.60 31.87 8.41 0.93 1.78 0.00 1.23 2.18 35 V C C 48.38 16.40 19.91 35.59 115.78 94.18 -103.41 124.71 96.48 3.04 0.47 56.24 39.13 1.33 0.19 0.25 0.00 1.07 1.78 36 P C C 18.22 21.04 15.97 36.92 117.14 -118.68 -68.97 151.95 98.93 0.92 0.15 93.15 5.49 0.32 0.05 0.07 0.00 0.35 0.57 37 A C C 50.36 6.53 23.63 30.48 116.89 -101.20 -68.46 151.93 99.79 0.13 0.07 98.90 0.88 0.03 0.05 0.00 0.00 0.03 0.10 38 P H H 59.49 13.90 15.57 29.74 91.32 -110.21 -57.52 -37.41 1.42 0.00 98.58 0.18 0.16 0.88 98.52 0.26 0.00 0.00 0.00 39 A H H 65.79 3.34 22.71 26.00 91.23 55.87 -63.23 -38.22 0.65 0.00 99.35 0.06 0.04 0.45 99.20 0.25 0.00 0.00 0.00 40 V H H 22.22 16.50 19.45 36.08 92.44 49.18 -66.21 -41.49 0.16 0.00 99.84 0.03 0.01 0.09 99.72 0.16 0.00 0.00 0.00 41 I H H 5.66 25.25 17.95 43.24 91.56 50.48 -63.43 -43.32 0.05 0.00 99.95 0.01 0.00 0.02 99.94 0.02 0.00 0.00 0.00 42 E H H 84.05 9.70 24.99 34.78 91.37 50.62 -63.13 -42.03 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 43 K H H 85.34 7.09 26.75 34.42 91.68 49.74 -64.56 -41.53 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 44 A H H 2.40 25.06 21.05 46.12 91.46 50.43 -63.80 -43.14 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 45 L H H 16.00 21.11 23.31 43.47 91.13 50.65 -63.12 -42.92 0.10 0.00 99.90 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 46 R H H 119.80 3.98 28.40 32.79 91.49 50.44 -63.21 -41.78 0.33 0.00 99.67 0.01 0.01 0.25 99.59 0.13 0.00 0.00 0.00 47 A H H 14.12 14.18 22.59 37.60 91.45 50.37 -64.45 -41.27 1.41 0.00 98.59 0.06 0.05 1.15 98.12 0.61 0.00 0.00 0.00 48 A H H 2.74 25.32 16.64 42.28 91.28 52.48 -65.63 -36.83 5.96 0.01 94.03 0.48 0.36 4.82 90.82 3.50 0.00 0.00 0.00 49 R H H 119.01 10.28 21.17 31.53 91.68 56.08 -65.01 -33.27 31.10 0.05 68.86 1.21 1.20 29.00 63.14 5.38 0.02 0.02 0.03 50 R H H 144.48 3.90 22.20 26.43 92.15 55.66 -73.02 -23.85 46.00 0.12 53.87 2.47 3.38 39.46 49.37 5.16 0.03 0.04 0.09 51 V C T 37.58 16.08 14.63 30.56 100.06 59.51 -88.47 4.15 69.41 1.01 29.58 25.33 18.67 25.60 25.43 3.85 0.03 0.31 0.77 52 N C C 108.19 6.78 19.40 27.32 96.26 -135.46 53.38 36.00 97.32 0.36 2.33 38.56 29.42 29.61 1.24 0.81 0.00 0.15 0.22 53 D C C 57.26 9.76 20.00 30.49 114.56 116.95 -118.78 109.85 96.15 1.05 2.80 74.37 18.02 3.49 2.07 0.64 0.00 0.24 1.16 54 L H H 47.67 19.33 16.76 35.12 93.98 -162.65 -64.29 -37.25 2.74 0.01 97.26 0.73 0.56 1.18 97.20 0.33 0.00 0.00 0.00 55 P H H 65.08 7.66 23.69 31.58 91.75 54.30 -63.09 -41.21 1.00 0.00 99.00 0.11 0.08 0.66 98.85 0.29 0.00 0.00 0.00 56 T H H 32.79 10.66 23.20 34.63 91.77 48.77 -65.40 -41.22 0.28 0.00 99.72 0.04 0.02 0.16 99.56 0.22 0.00 0.00 0.00 57 A H H 2.15 25.16 18.84 44.33 91.25 51.59 -62.69 -43.51 0.08 0.00 99.92 0.01 0.00 0.04 99.89 0.05 0.00 0.00 0.00 58 I H H 25.74 18.28 23.55 41.07 91.53 50.11 -63.98 -42.33 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 59 R H H 112.65 5.73 27.53 33.89 91.65 50.81 -63.91 -41.77 0.03 0.00 99.97 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 60 V H H 10.56 20.47 23.00 42.93 91.51 49.74 -63.77 -43.54 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 61 F H H 3.69 26.07 21.22 47.16 91.47 49.29 -63.85 -42.37 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 62 E H H 75.27 9.37 24.92 34.53 91.58 51.53 -63.54 -41.14 0.22 0.00 99.78 0.01 0.00 0.18 99.69 0.12 0.00 0.00 0.00 63 A H H 33.58 7.34 23.37 31.68 91.56 50.91 -65.01 -40.54 1.82 0.00 98.18 0.04 0.04 1.72 97.69 0.51 0.00 0.00 0.00 64 L H H 6.50 22.87 17.00 40.00 92.26 49.71 -67.55 -37.03 4.64 0.00 95.35 0.21 0.22 3.93 93.05 2.58 0.00 0.00 0.00 65 K H H 75.17 16.29 17.45 32.79 91.19 62.00 -61.28 -36.68 7.87 0.01 92.12 0.47 0.38 6.30 75.02 17.81 0.01 0.01 0.01 66 Y H H 167.57 1.73 21.64 22.55 91.44 54.12 -70.94 -25.61 22.85 0.02 77.13 0.73 0.90 20.62 60.23 17.48 0.02 0.01 0.02 67 K H H 95.89 8.56 17.35 26.64 96.31 49.38 -92.65 -10.61 36.56 0.11 63.33 2.67 3.37 29.37 48.95 15.46 0.04 0.04 0.10 68 V C C 18.35 21.26 7.52 27.01 120.89 87.77 -98.92 141.59 91.64 0.92 7.44 74.32 11.26 5.33 6.54 1.35 0.00 0.27 0.93 69 E C C 158.27 1.00 17.29 17.27 95.07 -152.54 -75.95 -25.41 97.93 0.24 1.83 46.85 44.24 7.01 0.99 0.64 0.00 0.08 0.18 70 N C C 78.40 4.63 15.03 21.03 119.48 47.56 -121.54 126.58 98.03 0.32 1.64 59.40 35.02 3.65 1.00 0.52 0.00 0.08 0.33 71 E H H 114.81 8.21 11.81 21.59 93.06 -151.06 -62.97 -33.98 11.66 0.03 88.32 2.22 2.23 6.87 82.61 6.02 0.01 0.01 0.02 72 D H H 115.22 0.96 17.85 17.20 91.55 57.19 -64.89 -38.15 8.65 0.01 91.34 0.84 0.79 6.50 85.26 6.59 0.01 0.00 0.01 73 Q H H 67.63 7.78 16.01 25.11 92.86 48.39 -67.57 -36.30 4.91 0.01 95.08 0.89 0.43 3.14 89.02 6.50 0.00 0.01 0.00 74 Y H H 21.12 20.36 12.24 32.34 91.71 53.42 -62.80 -43.10 0.90 0.00 99.10 0.27 0.10 0.41 98.61 0.61 0.00 0.00 0.00 75 K H H 109.47 4.90 21.04 26.57 91.42 51.55 -63.09 -41.12 0.25 0.00 99.75 0.05 0.02 0.13 99.66 0.15 0.00 0.00 0.00 76 A H H 48.14 3.26 22.02 24.97 91.44 50.90 -63.51 -42.06 0.14 0.00 99.86 0.02 0.01 0.09 99.78 0.11 0.00 0.00 0.00 77 Y H H 20.67 18.29 18.02 36.54 92.13 49.44 -63.96 -43.25 0.12 0.00 99.88 0.01 0.00 0.08 99.80 0.11 0.00 0.00 0.00 78 L H H 20.06 19.41 17.11 36.30 91.46 49.79 -63.56 -40.88 0.16 0.00 99.84 0.01 0.00 0.11 99.74 0.13 0.00 0.00 0.00 79 D H H 96.60 2.12 22.84 23.98 91.72 51.40 -64.57 -39.16 0.52 0.00 99.48 0.02 0.01 0.47 98.89 0.61 0.00 0.00 0.00 80 E H H 89.75 7.12 20.25 27.92 92.03 49.97 -68.84 -33.57 5.02 0.00 94.97 0.04 0.08 5.49 93.34 1.05 0.00 0.00 0.00 81 L H H 6.87 23.51 13.64 37.41 96.30 43.13 -91.29 -12.83 24.69 0.01 75.30 0.50 0.56 23.70 73.58 1.65 0.00 0.00 0.01 82 K H H 91.89 11.90 17.46 29.73 92.21 90.26 -58.23 -42.44 3.55 0.00 96.45 0.68 0.28 2.11 95.92 1.01 0.00 0.00 0.00 83 D H H 87.78 1.77 22.67 22.46 91.65 51.33 -64.37 -39.28 1.94 0.00 98.06 0.29 0.11 1.29 97.29 1.02 0.00 0.00 0.00 84 V H H 20.69 15.10 17.45 33.25 92.16 50.37 -65.26 -42.18 0.64 0.00 99.35 0.10 0.05 0.39 98.59 0.86 0.00 0.00 0.00 85 R H H 32.98 19.43 14.27 33.21 91.96 51.04 -63.08 -42.53 0.48 0.00 99.52 0.10 0.04 0.27 99.15 0.44 0.00 0.00 0.00 86 Q H H 126.47 1.98 19.27 21.14 91.77 50.03 -63.68 -40.77 0.74 0.00 99.26 0.08 0.04 0.52 98.53 0.83 0.00 0.00 0.00 87 E H H 119.54 3.52 17.67 22.04 91.46 52.66 -65.74 -32.73 3.74 0.00 96.26 0.11 0.14 3.51 95.46 0.78 0.00 0.00 0.00 88 L H H 32.39 17.19 12.88 30.17 93.56 46.81 -87.71 -6.34 44.44 0.02 55.54 0.34 1.07 43.47 53.83 1.27 0.01 0.00 0.02 89 G C T 55.96 1.77 21.37 22.31 95.13 -113.62 76.62 18.68 99.86 0.00 0.13 3.78 1.60 94.54 0.05 0.02 0.00 0.00 0.00 90 V C C 22.57 18.94 10.58 29.32 115.67 139.29 -101.66 124.56 99.72 0.19 0.09 93.50 6.03 0.19 0.05 0.02 0.00 0.05 0.15 91 P C C 72.78 4.49 21.78 26.21 113.63 -127.59 -75.61 139.41 99.12 0.25 0.63 96.94 1.80 0.58 0.26 0.17 0.00 0.09 0.16 92 L C C 44.20 17.60 13.21 30.02 109.89 -144.93 -87.30 125.09 87.41 2.12 10.47 80.08 4.88 2.72 6.35 3.31 0.00 0.65 2.00 93 K H G 96.37 10.44 14.86 25.60 97.87 -124.43 -67.28 -34.44 28.69 0.78 70.53 15.14 5.56 8.37 34.30 35.91 0.01 0.42 0.29 94 E H G 128.00 3.79 14.91 19.97 95.24 53.70 -68.73 -29.99 16.40 0.36 83.24 4.63 2.60 8.35 36.28 47.81 0.01 0.23 0.10 95 E H G 117.67 4.63 14.71 20.52 95.83 54.91 -78.89 -18.10 18.74 0.44 80.82 4.86 2.78 9.89 34.34 47.72 0.01 0.26 0.14 96 L H G 50.73 14.80 10.88 25.20 99.32 55.29 -83.47 -23.37 37.48 1.11 61.41 11.77 7.83 17.86 27.41 33.90 0.06 0.52 0.65 97 F C C 82.55 11.27 11.02 23.00 114.57 44.73 -115.16 106.78 98.70 0.77 0.52 79.65 17.73 1.18 0.30 0.16 0.00 0.21 0.77 98 P C C 83.46 4.86 15.07 21.31 109.56 -146.63 -70.08 138.66 99.97 0.02 0.01 99.83 0.11 0.05 0.00 0.00 0.00 0.01 0.00