# 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 G C C 36.11 5.65 14.58 21.48 128.92 -120.49 123.48 151.27 99.96 0.03 0.00 99.75 0.20 0.02 0.00 0.00 0.00 0.01 0.01 1 P C C 100.46 3.25 13.62 17.99 111.35 -46.83 -73.27 145.65 96.37 1.19 2.44 91.07 2.36 3.12 1.64 0.52 0.00 0.48 0.81 2 L C C 86.62 8.84 9.32 19.14 114.15 -109.71 -81.89 139.53 92.03 1.18 6.78 74.17 14.05 3.48 5.81 1.20 0.00 0.44 0.85 3 P C C 70.31 7.13 11.68 20.27 109.32 -104.92 -67.67 146.84 76.14 1.22 22.65 63.28 5.41 7.37 18.14 4.55 0.00 0.58 0.67 4 E C H 133.67 3.19 13.23 17.71 100.58 -123.76 -72.68 -23.99 53.80 1.46 44.74 28.92 10.20 15.55 35.08 8.78 0.03 0.69 0.74 5 D H H 79.66 5.71 14.09 20.91 102.33 53.57 -78.34 20.27 47.02 1.56 51.42 27.63 6.95 13.18 41.01 9.73 0.02 0.83 0.66 6 V H H 48.33 14.25 11.81 25.92 95.05 99.77 -68.72 -32.61 19.10 0.76 80.14 8.32 3.37 7.55 62.44 17.54 0.04 0.48 0.26 7 F H H 112.01 6.95 15.41 23.37 93.50 58.71 -67.64 -32.95 16.29 0.58 83.13 4.42 2.31 8.73 63.17 20.76 0.05 0.37 0.19 8 L H H 100.81 2.80 18.16 20.84 94.60 52.33 -70.64 -35.15 26.25 0.49 73.25 4.36 3.36 16.74 55.26 19.66 0.11 0.29 0.24 9 V H H 46.99 10.63 15.70 27.33 96.72 45.80 -78.46 -30.53 28.21 0.41 71.37 4.76 5.11 19.00 63.29 7.21 0.17 0.19 0.26 10 A H H 25.35 15.56 13.79 29.62 93.49 71.23 -61.50 -43.41 16.65 0.12 83.23 10.15 3.42 3.30 80.62 2.41 0.00 0.05 0.05 11 P H H 76.77 4.05 19.79 24.12 92.07 51.74 -64.37 -38.70 9.21 0.11 90.68 5.49 0.94 2.95 88.07 2.45 0.00 0.06 0.03 12 K H H 122.35 2.83 20.90 23.45 92.20 49.97 -66.72 -39.70 3.92 0.16 95.92 2.13 0.49 1.51 93.49 2.22 0.00 0.12 0.03 13 V H H 30.47 14.64 17.19 32.27 92.46 49.13 -65.90 -41.88 1.97 0.09 97.94 1.05 0.26 0.75 97.14 0.70 0.00 0.07 0.02 14 A H H 31.77 12.35 18.03 31.00 91.84 51.25 -63.31 -42.00 1.31 0.04 98.65 0.62 0.15 0.54 98.39 0.27 0.00 0.02 0.01 15 A H H 57.69 2.36 22.55 23.55 91.70 50.17 -63.92 -41.58 1.54 0.03 98.43 0.60 0.16 0.72 98.25 0.24 0.00 0.01 0.01 16 A H H 41.12 6.19 20.32 27.48 91.84 49.92 -64.70 -41.06 1.66 0.02 98.32 0.61 0.17 0.82 98.14 0.23 0.00 0.01 0.01 17 V H H 24.33 16.70 16.31 33.36 92.17 49.97 -64.72 -41.89 1.92 0.02 98.06 0.74 0.20 0.89 97.95 0.20 0.00 0.01 0.01 18 Q H H 93.73 6.75 20.56 28.02 91.69 51.02 -63.32 -41.06 1.80 0.01 98.19 0.61 0.18 0.87 98.19 0.14 0.00 0.00 0.00 19 Q H H 112.78 1.75 22.68 22.72 92.13 49.43 -65.31 -41.16 2.26 0.01 97.73 0.64 0.23 1.18 97.80 0.14 0.00 0.00 0.00 20 T H H 40.50 10.32 19.18 30.40 92.36 48.78 -65.53 -41.69 1.68 0.01 98.31 0.61 0.17 0.77 98.33 0.11 0.00 0.00 0.00 21 Q H H 49.92 15.20 17.59 32.55 91.82 51.19 -63.50 -41.40 0.68 0.00 99.31 0.17 0.05 0.34 99.38 0.06 0.00 0.00 0.00 22 A H H 54.38 3.49 21.01 24.45 91.43 51.17 -63.46 -41.26 0.25 0.00 99.75 0.04 0.01 0.13 99.79 0.03 0.00 0.00 0.00 23 Q H H 93.98 3.17 21.49 24.13 91.80 49.94 -64.96 -41.09 0.30 0.00 99.70 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 24 L H H 35.67 14.82 17.12 32.37 92.32 49.86 -65.12 -41.63 0.42 0.00 99.58 0.04 0.01 0.26 99.59 0.09 0.00 0.00 0.00 25 I H H 53.86 11.92 16.99 29.54 91.82 50.39 -63.93 -40.97 0.36 0.00 99.63 0.03 0.02 0.24 99.46 0.25 0.00 0.00 0.00 26 D H H 99.03 1.51 21.25 21.00 91.99 51.07 -64.75 -39.93 1.55 0.00 98.45 0.07 0.04 1.35 97.51 1.03 0.00 0.00 0.00 27 L H H 72.61 6.15 17.70 24.74 92.64 49.48 -68.14 -37.63 7.04 0.00 92.96 0.11 0.17 7.28 91.09 1.35 0.01 0.00 0.00 28 L H H 25.81 15.83 11.95 28.19 94.18 48.47 -75.03 -30.08 16.81 0.04 83.16 0.62 1.57 14.98 80.65 2.07 0.07 0.01 0.03 29 A H G 56.89 6.44 13.40 21.50 92.34 65.73 -61.29 -39.50 19.39 0.10 80.52 2.42 1.50 13.41 15.54 66.99 0.01 0.05 0.07 30 P H G 110.90 1.33 15.40 16.35 90.33 57.30 -66.50 -22.97 23.98 0.11 75.92 1.48 1.66 19.03 9.68 68.00 0.01 0.06 0.08 31 Y H G 123.30 6.50 11.83 19.90 95.70 49.08 -94.11 4.71 32.45 0.12 67.43 0.90 2.52 27.51 2.89 66.04 0.00 0.06 0.09 32 G C T 60.88 0.99 17.13 16.71 97.22 -100.17 84.97 11.61 98.69 0.07 1.24 6.69 4.63 87.39 0.20 1.01 0.00 0.04 0.04 33 Y C C 64.39 15.17 7.87 22.49 118.00 143.87 -90.40 142.29 97.49 2.16 0.35 93.40 3.49 0.34 0.19 0.10 0.00 0.53 1.95 34 S C C 66.91 2.39 19.92 21.27 113.58 -119.94 -82.04 141.81 99.02 0.46 0.52 98.24 0.75 0.22 0.37 0.05 0.00 0.14 0.24 35 F H H 94.11 13.02 11.97 25.13 93.68 -127.49 -61.59 -36.42 7.21 0.04 92.75 1.91 1.20 4.11 89.90 2.83 0.01 0.02 0.03 36 D H H 106.97 1.56 18.55 19.34 92.12 54.73 -64.86 -38.97 5.65 0.03 94.32 0.73 0.57 4.12 90.78 3.76 0.01 0.02 0.01 37 A H H 45.80 4.70 17.48 23.29 92.53 50.28 -65.27 -40.82 2.81 0.03 97.16 0.60 0.28 1.77 93.43 3.89 0.00 0.02 0.01 38 F H H 30.65 16.35 14.00 30.71 92.06 50.05 -64.92 -42.03 1.00 0.02 98.99 0.38 0.12 0.47 98.47 0.55 0.00 0.01 0.00 39 S H H 42.98 8.77 18.12 27.88 91.90 51.68 -63.43 -41.87 0.60 0.00 99.39 0.20 0.05 0.28 99.31 0.15 0.00 0.00 0.00 40 E H H 111.31 1.90 22.01 22.17 92.01 49.67 -64.83 -41.56 0.39 0.00 99.61 0.08 0.03 0.20 99.58 0.10 0.00 0.00 0.00 41 A H H 34.47 7.57 18.73 27.76 92.20 50.42 -64.89 -41.38 0.48 0.00 99.52 0.11 0.03 0.25 99.49 0.12 0.00 0.00 0.00 42 V H H 29.05 15.82 16.34 32.44 92.28 49.68 -64.63 -42.27 0.71 0.00 99.28 0.17 0.05 0.38 99.26 0.13 0.00 0.00 0.00 43 L H H 84.02 5.42 19.98 26.01 91.72 50.33 -63.62 -40.92 1.20 0.01 98.79 0.36 0.10 0.61 98.73 0.19 0.00 0.00 0.00 44 E H H 108.75 2.24 21.57 22.54 92.01 49.75 -65.09 -41.20 2.18 0.01 97.81 0.45 0.18 1.32 97.76 0.28 0.00 0.00 0.00 45 D H H 50.94 9.84 18.20 28.93 92.72 49.50 -65.88 -40.30 4.39 0.01 95.60 0.79 0.37 2.89 95.50 0.44 0.00 0.00 0.01 46 L H H 49.42 12.34 16.82 29.73 92.21 51.13 -64.68 -40.97 4.06 0.02 95.93 1.37 0.51 1.99 95.64 0.49 0.00 0.01 0.01 47 S H H 57.66 3.20 20.62 23.41 91.70 51.57 -64.02 -41.16 3.63 0.02 96.34 1.55 0.38 1.61 96.06 0.38 0.00 0.01 0.01 48 K H H 111.75 3.30 20.70 23.76 92.16 49.67 -65.79 -40.38 2.71 0.01 97.28 0.73 0.27 1.49 97.17 0.32 0.00 0.00 0.00 49 T H H 32.22 12.71 16.58 30.25 92.54 50.72 -65.36 -41.23 1.54 0.01 98.45 0.50 0.17 0.74 98.34 0.25 0.00 0.00 0.00 50 K H H 101.57 7.83 19.81 28.23 91.96 51.59 -63.38 -41.55 0.95 0.00 99.04 0.29 0.09 0.46 98.98 0.18 0.00 0.00 0.00 51 E H H 105.78 3.03 21.78 24.17 91.90 50.26 -64.82 -41.34 0.88 0.00 99.12 0.22 0.07 0.47 99.08 0.16 0.00 0.00 0.00 52 L H H 63.73 7.25 20.06 28.03 92.25 50.09 -65.03 -41.50 0.81 0.00 99.18 0.19 0.06 0.44 99.16 0.13 0.00 0.00 0.00 53 C H H 34.44 11.72 18.05 30.62 92.61 50.46 -64.75 -41.73 0.71 0.00 99.29 0.20 0.05 0.36 99.29 0.09 0.00 0.00 0.00 54 V H H 64.94 6.04 20.44 27.03 92.05 49.83 -64.65 -42.23 0.37 0.00 99.62 0.08 0.03 0.20 99.64 0.05 0.00 0.00 0.00 55 K H H 109.27 3.92 21.68 25.43 92.07 49.69 -64.85 -41.43 0.35 0.00 99.65 0.06 0.02 0.20 99.67 0.04 0.00 0.00 0.00 56 A H H 31.92 9.80 18.54 29.40 92.17 50.49 -65.08 -41.24 0.42 0.00 99.58 0.07 0.02 0.24 99.62 0.05 0.00 0.00 0.00 57 R H H 101.67 8.66 20.08 28.99 92.31 50.94 -64.53 -41.28 0.39 0.00 99.61 0.06 0.02 0.23 99.64 0.04 0.00 0.00 0.00 58 F H H 96.32 5.75 20.04 26.00 92.42 50.15 -64.97 -41.86 0.31 0.00 99.69 0.06 0.02 0.18 99.71 0.04 0.00 0.00 0.00 59 V H H 65.60 5.77 19.95 26.00 92.13 49.52 -64.87 -42.37 0.25 0.00 99.75 0.05 0.01 0.14 99.76 0.03 0.00 0.00 0.00 60 L H H 61.93 8.58 18.61 27.77 92.36 49.51 -65.08 -42.07 0.25 0.00 99.75 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 61 W H H 102.89 7.74 18.84 27.23 92.44 49.47 -64.88 -41.41 0.37 0.00 99.63 0.05 0.02 0.24 99.63 0.06 0.00 0.00 0.00 62 E H H 89.91 5.74 19.71 25.75 92.17 50.10 -65.00 -40.88 0.60 0.00 99.40 0.07 0.04 0.42 99.40 0.07 0.00 0.00 0.00 63 A H H 41.79 6.39 18.66 25.77 92.08 51.09 -65.11 -40.86 1.13 0.00 98.86 0.17 0.08 0.76 98.88 0.11 0.00 0.00 0.00 64 R H H 108.42 6.65 19.64 26.58 92.57 50.94 -65.48 -40.73 1.32 0.00 98.67 0.23 0.10 0.84 98.71 0.12 0.00 0.00 0.00 65 V H H 57.96 8.31 18.08 27.00 92.50 49.81 -65.25 -42.16 0.79 0.00 99.21 0.18 0.07 0.42 99.23 0.09 0.00 0.00 0.00 66 L H H 78.00 5.28 18.84 24.60 92.20 49.84 -64.90 -41.32 0.43 0.00 99.56 0.09 0.04 0.22 99.58 0.08 0.00 0.00 0.00 67 E H H 95.73 3.94 19.26 23.18 92.13 50.17 -64.95 -40.79 0.44 0.00 99.56 0.06 0.03 0.25 99.55 0.09 0.00 0.00 0.00 68 A H H 40.19 7.28 16.62 25.13 92.29 50.83 -64.92 -40.44 0.66 0.00 99.33 0.08 0.04 0.42 99.28 0.17 0.00 0.00 0.00 69 L H H 71.42 7.84 15.72 24.39 92.67 50.79 -66.37 -39.30 0.93 0.00 99.06 0.10 0.06 0.64 98.81 0.39 0.00 0.00 0.00 70 E H H 113.64 3.13 17.21 20.71 92.86 52.86 -66.18 -37.98 2.80 0.00 97.20 0.16 0.13 2.40 96.34 0.97 0.00 0.00 0.00 71 A H H 62.77 3.92 15.86 20.33 93.23 52.08 -68.77 -33.46 15.27 0.01 84.72 0.35 0.45 14.75 83.11 1.33 0.01 0.00 0.00 72 V H H 60.85 9.39 12.75 23.05 97.50 43.91 -88.27 -15.88 29.81 0.04 70.14 1.86 2.55 24.97 68.53 2.02 0.02 0.01 0.04 73 R H G 123.28 7.42 12.44 21.34 93.47 82.97 -61.60 -39.02 24.86 0.25 74.89 8.94 3.51 11.41 26.45 49.46 0.01 0.13 0.10 74 P H G 97.44 2.39 15.32 18.10 93.13 57.43 -70.77 -23.12 25.81 0.26 73.93 6.92 2.83 14.26 25.71 50.02 0.01 0.16 0.09 75 F H G 126.89 5.31 13.29 19.56 98.56 53.15 -89.95 -6.36 25.63 1.14 73.24 9.28 4.09 11.79 24.54 49.24 0.03 0.73 0.30 76 V C C 64.73 11.20 9.51 21.10 111.20 83.03 -93.00 115.06 61.81 8.06 30.14 39.94 12.45 10.18 20.75 8.84 0.10 4.38 3.37 77 S C C 82.39 2.68 13.27 17.11 110.93 122.38 -99.31 98.26 81.50 5.45 13.05 51.91 17.09 11.98 10.46 3.30 0.01 3.14 2.13 78 G C C 39.10 5.15 13.03 19.44 125.51 55.23 143.93 -175.05 83.98 2.70 13.32 37.95 36.23 9.87 10.86 2.67 0.01 1.43 0.97 79 P C C 90.69 3.95 13.86 18.90 103.81 -42.00 -69.89 85.31 69.46 2.12 28.42 41.43 14.40 13.36 23.51 5.35 0.01 1.23 0.69 80 V C C 82.86 7.47 12.10 20.68 107.36 126.90 -84.86 83.66 53.45 6.10 40.45 34.27 9.80 10.15 33.52 6.55 0.06 4.03 1.63 81 F H H 105.51 8.09 12.38 21.38 107.99 104.41 -87.77 88.06 45.36 8.38 46.27 31.25 7.66 7.41 39.37 6.22 0.06 6.28 1.75 82 R C H 130.72 5.32 14.03 20.52 107.63 56.97 -87.12 24.77 48.97 6.92 44.10 35.76 7.38 6.05 39.53 4.69 0.02 5.30 1.26 83 T H H 67.02 5.83 13.16 20.31 108.53 53.00 -83.59 145.26 47.56 4.08 48.36 35.56 7.03 5.07 45.72 3.02 0.01 2.76 0.84 84 E H H 117.10 4.36 13.71 19.42 94.49 -87.30 -65.26 -36.74 16.77 0.78 82.45 10.42 3.35 4.27 78.37 2.89 0.01 0.51 0.18 85 S H H 65.70 2.87 14.61 18.14 93.45 51.40 -66.27 -39.85 12.24 0.46 87.30 6.66 2.08 4.31 82.97 3.53 0.02 0.33 0.11 86 E H H 96.63 4.22 14.03 19.46 92.84 50.74 -66.99 -39.47 9.33 0.32 90.35 4.90 1.45 3.57 85.72 4.04 0.01 0.23 0.07 87 A H H 46.93 5.55 12.14 19.56 92.26 52.34 -64.72 -40.29 8.31 0.21 91.47 3.88 1.25 3.49 86.57 4.61 0.01 0.14 0.05 88 A H H 63.67 2.88 13.00 16.96 92.66 52.37 -65.97 -37.06 13.86 0.26 85.88 4.76 1.88 7.35 80.38 5.36 0.02 0.16 0.10 89 A H H 75.47 2.43 11.78 15.32 93.64 55.13 -70.18 -27.77 29.50 0.44 70.06 7.20 3.45 19.03 65.04 4.78 0.05 0.22 0.22 90 L C H 111.09 3.64 9.61 14.78 98.13 57.82 -81.22 -10.44 53.57 0.69 45.75 27.42 1.88 23.46 43.98 2.55 0.00 0.29 0.41 91 T C C 94.28 3.55 11.21 16.42 105.49 82.49 -87.48 38.74 99.93 0.02 0.04 99.82 0.06 0.08 0.03 0.00 0.00 0.01 0.00