# 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 106.36 7.02 12.87 21.21 115.68 -163.31 -97.73 129.56 99.55 0.38 0.07 99.38 0.21 0.10 0.03 0.01 0.00 0.21 0.07 1 A C C 71.33 5.23 10.59 17.52 113.07 -129.11 -78.88 137.85 90.00 3.46 6.54 83.02 1.81 6.03 2.00 3.55 0.00 2.06 1.53 2 H C C 139.99 3.40 9.95 15.19 111.45 -133.87 -90.64 121.20 84.24 4.93 10.83 47.12 13.98 23.25 2.10 8.71 0.00 2.86 1.97 3 G C C 49.49 4.29 10.72 16.66 110.47 9.39 93.74 137.79 83.23 5.50 11.26 43.50 17.22 22.79 2.04 9.17 0.01 2.98 2.29 4 H C C 126.05 4.98 10.17 16.73 111.46 -83.63 -93.17 107.16 81.50 7.54 10.96 44.54 18.64 18.76 2.70 7.98 0.01 3.71 3.66 5 G C C 50.02 4.06 11.65 17.19 108.64 -40.45 83.17 -1.48 86.42 4.69 8.89 42.24 22.47 22.12 1.85 6.87 0.00 2.31 2.14 6 H C C 126.63 4.86 10.32 16.80 109.59 113.53 -90.70 103.17 82.76 4.35 12.88 42.83 18.80 21.19 2.35 10.62 0.00 2.14 2.06 7 E C C 135.82 3.13 10.92 15.71 108.88 140.76 -91.41 94.53 83.46 4.50 12.04 40.09 21.09 22.64 2.26 9.64 0.01 2.21 2.08 8 H C C 132.10 3.88 10.21 15.85 110.61 129.18 -96.42 102.99 85.64 4.78 9.58 43.60 25.88 16.32 2.19 7.15 0.00 2.15 2.71 9 G C C 40.20 5.27 10.94 17.76 125.45 -65.93 -129.99 171.98 92.99 3.32 3.69 53.01 30.02 9.84 0.85 2.91 0.00 1.53 1.83 10 P C C 96.89 3.63 10.73 15.87 107.80 -55.14 -73.62 138.30 88.77 2.33 8.90 49.43 21.42 17.23 1.50 8.11 0.00 1.16 1.15 11 S C C 81.03 3.28 10.49 15.41 108.93 -113.51 -79.22 114.17 86.33 2.28 11.39 47.77 20.25 17.32 1.57 10.91 0.00 1.19 0.98 12 K C C 154.35 2.16 11.98 15.32 106.09 -105.20 -84.08 72.25 85.69 4.18 10.13 55.48 17.59 11.75 1.54 9.63 0.00 2.54 1.46 13 M C C 83.25 10.78 8.39 19.61 116.21 102.30 -93.33 132.34 84.65 12.18 3.16 73.18 8.38 2.42 0.80 2.55 0.00 8.73 3.94 14 E C C 139.88 2.16 17.25 20.01 117.08 -147.39 -96.17 136.07 78.40 20.52 1.08 72.43 4.75 0.82 0.42 0.71 0.00 11.33 9.53 15 L C C 77.55 13.77 11.69 25.34 115.54 -117.89 -81.30 134.94 95.55 4.36 0.09 91.23 4.48 0.15 0.03 0.04 0.00 3.18 0.89 16 P C C 37.96 13.66 11.51 26.02 115.27 -107.47 -65.60 150.11 98.88 1.00 0.12 95.09 3.68 0.29 0.04 0.05 0.00 0.48 0.38 17 D C C 86.28 3.35 17.40 21.25 107.92 -116.08 -83.46 115.79 98.83 0.86 0.31 97.61 1.09 0.23 0.10 0.10 0.00 0.25 0.62 18 Y H G 99.81 13.29 8.95 22.44 92.73 -159.75 -66.74 -21.84 36.79 0.50 62.71 6.82 4.37 24.20 3.71 60.43 0.00 0.31 0.17 19 K H G 158.97 1.39 13.91 15.74 91.24 67.20 -70.17 -19.65 36.29 0.52 63.19 3.10 4.38 27.36 3.57 61.09 0.01 0.31 0.20 20 Q H G 115.47 3.05 13.55 17.52 96.37 57.14 -83.28 -19.37 32.73 1.61 65.66 6.19 7.05 20.02 3.27 62.02 0.02 1.05 0.39 21 W C C 79.39 13.94 9.39 23.21 122.36 58.01 -117.33 137.31 77.91 10.08 12.01 57.27 15.90 4.81 3.42 8.64 0.01 6.68 3.26 22 K C C 134.72 3.37 17.17 21.94 119.73 -164.60 -113.45 132.57 81.97 16.12 1.91 76.96 3.56 1.29 0.78 1.03 0.00 11.99 4.38 23 I C C 52.10 15.92 9.24 24.61 112.98 -157.51 -102.79 119.03 75.77 22.17 2.06 71.27 2.49 1.31 0.97 1.05 0.00 16.22 6.69 24 E C T 139.61 2.23 13.76 17.39 117.08 -161.99 -88.94 138.22 87.48 10.88 1.65 28.53 9.47 50.71 0.49 1.01 0.00 8.14 1.65 25 G C T 65.14 0.68 15.61 14.68 95.79 13.85 76.86 6.22 97.90 1.30 0.80 12.56 22.68 62.75 0.12 0.70 0.00 0.89 0.29 26 T C C 32.12 15.47 7.31 22.12 119.43 132.79 -92.97 141.17 97.54 1.43 1.02 70.38 25.68 1.30 0.52 0.45 0.00 0.51 1.17 27 P C T 88.32 3.83 17.56 21.95 94.83 -122.31 -64.29 -19.80 92.36 0.67 6.96 10.56 12.33 69.72 4.43 2.23 0.00 0.33 0.40 28 L C T 41.08 15.22 11.55 26.90 99.09 55.73 -97.54 23.08 90.87 0.39 8.74 22.93 6.41 61.93 6.16 2.15 0.00 0.18 0.23 29 E H H 90.80 7.46 14.59 23.77 93.15 121.89 -60.35 -40.09 8.12 0.09 91.80 5.34 1.24 1.89 90.55 0.92 0.00 0.03 0.03 30 T H H 87.66 1.76 19.98 20.46 91.79 52.51 -64.42 -39.79 2.78 0.05 97.17 1.37 0.35 1.05 96.57 0.62 0.00 0.02 0.01 31 V H H 28.71 12.26 16.71 30.21 92.09 49.24 -65.86 -41.52 1.30 0.04 98.66 0.59 0.17 0.56 98.04 0.62 0.00 0.02 0.01 32 Q H H 38.58 15.72 14.99 30.86 91.78 52.59 -62.70 -41.97 0.72 0.01 99.26 0.28 0.09 0.31 99.09 0.23 0.00 0.01 0.00 33 E H H 110.07 2.39 21.91 23.30 91.62 49.96 -63.95 -41.14 0.89 0.01 99.10 0.22 0.09 0.50 99.01 0.18 0.00 0.00 0.00 34 K H H 99.03 3.58 20.09 23.67 91.72 50.03 -65.04 -40.72 1.12 0.01 98.87 0.20 0.11 0.70 98.71 0.25 0.00 0.00 0.00 35 L H H 14.20 15.84 12.48 29.52 91.51 50.44 -64.47 -41.38 1.56 0.02 98.42 0.32 0.18 0.96 97.84 0.68 0.00 0.01 0.00 36 A H H 50.01 8.12 14.26 23.64 91.96 52.09 -63.70 -39.38 3.06 0.02 96.91 0.42 0.22 2.30 95.22 1.81 0.01 0.01 0.01 37 A H H 90.14 1.00 15.80 15.89 90.58 54.42 -66.45 -27.80 12.75 0.05 87.20 0.50 0.59 12.23 85.06 1.52 0.04 0.02 0.03 38 R C T 140.29 3.82 13.35 18.47 93.89 51.35 -90.53 2.28 78.79 0.08 21.13 0.55 2.05 75.78 20.15 1.33 0.01 0.03 0.09 39 G C T 55.87 1.79 17.00 18.53 97.12 -105.30 82.56 11.34 99.47 0.03 0.49 2.47 2.38 94.79 0.19 0.13 0.00 0.02 0.01 40 L C C 43.45 15.99 9.16 24.70 111.97 138.32 -90.24 121.15 98.42 0.54 1.04 94.41 2.48 1.68 0.33 0.49 0.00 0.23 0.38 41 R C C 159.42 3.77 18.74 23.16 100.73 174.05 -98.55 -8.88 98.31 0.78 0.92 78.47 16.90 2.76 0.31 0.58 0.00 0.30 0.69 42 D C C 41.16 12.80 14.32 28.22 108.48 99.84 -89.48 111.39 99.00 0.71 0.29 69.17 29.18 0.49 0.17 0.10 0.00 0.16 0.74 43 P H H 66.67 8.23 18.25 28.06 92.39 -160.21 -62.73 -30.12 36.81 0.24 62.95 2.95 4.22 27.36 37.23 27.77 0.13 0.11 0.22 44 W H H 96.30 11.13 19.48 30.74 92.17 58.77 -66.17 -38.44 27.26 0.14 72.61 1.03 1.85 22.38 40.47 33.97 0.13 0.07 0.12 45 G H H 8.96 17.84 16.97 34.93 92.81 50.37 -68.34 -37.19 18.13 0.20 81.66 1.68 1.77 12.69 45.17 38.41 0.08 0.11 0.09 46 R H H 82.64 13.53 20.10 33.20 92.13 53.01 -67.94 -34.08 19.72 0.38 79.91 3.26 2.62 12.16 46.26 35.21 0.10 0.19 0.19 47 N H T 56.47 11.16 21.60 33.05 96.07 51.47 -85.31 -16.24 48.50 0.95 50.55 7.16 6.83 32.30 25.57 26.79 0.17 0.47 0.71 48 E C C 43.11 14.39 20.08 34.64 98.57 59.87 -88.37 6.04 60.76 6.12 33.11 32.39 9.72 18.76 18.49 13.56 0.08 1.81 5.19 49 A H G 19.20 16.19 17.78 34.55 93.06 106.54 -60.02 -40.61 10.82 0.19 88.99 1.69 1.18 6.90 39.88 50.16 0.01 0.13 0.04 50 W H G 87.87 10.86 19.10 30.57 91.65 52.65 -66.25 -32.03 7.55 0.10 92.35 0.72 0.64 5.53 40.68 52.33 0.01 0.07 0.02 51 R H G 94.36 9.98 18.17 28.67 93.01 54.85 -70.75 -31.12 7.75 0.15 92.10 1.20 0.88 5.00 41.77 51.00 0.01 0.11 0.03 52 Y H H 81.10 12.79 15.22 28.19 95.44 54.47 -77.47 -27.70 32.08 2.02 65.90 9.16 7.72 15.58 38.33 26.84 0.37 1.04 0.96 53 M C T 95.12 7.68 14.85 23.50 99.51 54.38 -89.74 3.55 68.65 2.76 28.59 15.63 21.28 32.26 19.92 7.72 0.21 1.14 1.83 54 G C T 49.23 4.15 15.12 20.32 102.21 -96.83 79.34 3.55 86.16 0.95 12.88 21.64 21.33 43.84 4.98 7.13 0.01 0.43 0.64 55 G C C 40.21 6.38 13.90 21.43 107.43 -53.84 80.38 -61.76 84.66 1.67 13.67 33.19 21.92 30.28 3.37 9.49 0.01 0.74 1.00 56 F C C 110.88 8.80 12.00 21.51 100.93 38.85 -85.99 0.99 81.67 3.21 15.11 42.66 18.44 21.26 4.48 9.80 0.01 1.50 1.85 57 A C C 62.78 6.87 12.09 20.27 106.03 87.36 -85.37 38.17 85.03 2.04 12.94 49.89 19.72 15.72 5.62 6.86 0.01 0.91 1.27 58 N C C 97.57 4.55 12.38 18.35 110.51 112.16 -92.16 110.99 81.82 1.39 16.79 39.88 28.61 13.82 11.69 4.50 0.01 0.49 1.00 59 N C H 120.14 2.81 12.94 16.78 98.45 -110.78 -73.66 -6.59 54.30 0.94 44.76 22.78 16.77 16.67 38.05 4.78 0.05 0.36 0.53 60 V H H 85.17 5.08 12.18 18.63 104.35 74.74 -85.40 -8.24 39.13 1.14 59.73 21.76 7.80 11.42 54.06 3.90 0.04 0.55 0.46 61 S H H 52.18 6.77 12.35 20.62 100.01 66.28 -71.83 -37.06 23.61 1.26 75.13 15.01 4.32 6.59 68.65 4.24 0.04 0.74 0.40 62 F H H 120.79 4.43 14.18 19.75 94.24 52.54 -66.53 -37.99 10.96 0.63 88.41 4.84 2.25 5.27 82.11 4.81 0.10 0.43 0.19 63 V H H 80.23 3.71 15.58 20.01 93.20 51.02 -66.13 -40.37 8.37 0.40 91.23 2.54 1.48 5.06 84.87 5.54 0.11 0.28 0.12 64 G H H 26.32 7.41 14.00 23.11 93.41 51.14 -65.86 -39.48 10.91 0.27 88.82 1.96 1.59 7.76 81.72 6.52 0.16 0.16 0.11 65 A H H 48.86 7.71 14.14 23.16 93.42 50.97 -68.10 -37.10 20.81 0.27 78.92 1.67 2.32 17.06 72.13 6.22 0.30 0.13 0.16 66 L H H 98.94 4.09 16.24 20.96 94.70 47.13 -72.55 -33.75 37.54 0.61 61.84 2.67 4.98 30.01 56.01 5.00 0.62 0.26 0.44 67 L C H 88.27 5.60 15.40 21.86 98.38 50.35 -83.77 -23.37 50.61 2.39 47.00 12.73 13.32 26.69 38.30 5.78 0.66 0.95 1.57 68 K C T 105.33 7.11 15.75 23.95 104.30 78.19 -68.72 95.00 65.20 0.86 33.94 5.20 5.91 51.86 31.10 4.76 0.16 0.40 0.59 69 G C T 28.82 10.22 16.27 27.00 97.48 28.60 74.45 -8.21 56.27 0.35 43.38 5.56 5.01 44.22 40.22 4.50 0.08 0.15 0.26 70 F H H 84.53 10.92 15.45 27.01 93.89 91.89 -63.96 -40.46 10.30 0.10 89.60 4.88 1.89 4.20 87.09 1.83 0.01 0.04 0.05 71 K H H 121.61 3.76 19.77 23.67 92.44 51.33 -64.93 -40.67 3.92 0.04 96.04 1.10 0.49 2.26 95.19 0.92 0.01 0.02 0.01 72 W H H 127.91 4.77 20.38 25.38 92.27 48.91 -66.41 -41.03 1.65 0.02 98.33 0.40 0.17 0.99 97.91 0.52 0.00 0.01 0.00 73 G H H 12.85 14.15 16.50 31.57 91.96 51.68 -64.10 -42.33 0.50 0.00 99.49 0.11 0.04 0.26 99.48 0.11 0.00 0.00 0.00 74 F H H 87.87 8.29 20.56 29.16 91.76 50.52 -63.61 -42.38 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 75 A H H 54.17 3.48 22.14 25.12 91.29 49.91 -63.82 -42.09 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 76 A H H 39.49 8.08 20.34 29.23 91.73 50.37 -64.63 -42.02 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 77 F H H 62.18 13.26 19.65 32.89 91.96 50.42 -63.94 -42.20 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 78 V H H 73.45 5.57 22.20 27.88 91.57 50.50 -63.84 -42.54 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 79 V H H 79.03 3.54 22.84 25.84 91.65 48.70 -64.29 -42.30 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 80 A H H 30.36 10.30 19.34 30.66 91.84 49.79 -64.24 -42.60 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 81 V H H 51.01 9.67 19.77 30.05 91.79 49.46 -64.09 -42.34 0.13 0.00 99.87 0.00 0.00 0.10 99.87 0.02 0.00 0.00 0.00 82 G H H 32.93 3.67 20.33 23.95 91.28 50.64 -63.30 -42.52 0.26 0.00 99.74 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 83 A H H 48.59 4.24 19.14 23.81 91.53 50.26 -64.13 -42.06 0.40 0.00 99.60 0.03 0.02 0.28 99.49 0.17 0.00 0.00 0.00 84 E H H 62.69 8.89 16.24 26.34 91.92 50.21 -64.86 -41.11 0.75 0.00 99.25 0.07 0.04 0.56 98.95 0.38 0.00 0.00 0.00 85 Y H H 112.02 5.40 16.30 22.68 92.04 50.36 -65.05 -40.52 1.94 0.01 98.05 0.18 0.12 1.52 97.45 0.72 0.00 0.00 0.00 86 Y H H 138.28 2.34 16.14 18.28 92.36 49.73 -66.41 -39.82 5.70 0.02 94.28 0.55 0.42 4.54 93.39 1.07 0.01 0.01 0.01 87 L H H 94.60 3.54 14.58 18.82 93.71 47.71 -71.62 -33.83 16.88 0.11 83.01 2.31 2.10 12.60 81.00 1.83 0.05 0.04 0.07 88 E H H 95.53 5.75 12.31 19.44 96.64 52.31 -78.86 -23.64 36.11 0.59 63.31 11.50 8.00 18.21 58.31 3.33 0.08 0.22 0.34 89 S H H 61.49 4.05 11.94 17.49 97.69 67.18 -69.93 -33.68 47.41 1.05 51.54 25.38 8.08 15.24 41.57 8.67 0.03 0.50 0.54 90 Q C H 117.33 2.77 12.54 16.20 97.19 59.81 -75.00 -20.04 54.65 1.29 44.06 28.49 9.28 17.72 32.92 10.27 0.02 0.62 0.67 91 K C C 113.21 4.84 9.98 16.40 101.87 64.60 -83.57 10.36 63.39 1.29 35.32 39.32 9.92 14.20 25.47 9.75 0.01 0.59 0.73 92 K C C 127.39 3.74 10.10 15.38 101.36 88.70 -77.56 -15.44 64.73 1.24 34.03 33.69 10.60 21.04 21.96 11.36 0.02 0.56 0.76 93 D C C 105.71 2.39 9.77 13.36 101.29 61.56 -83.71 5.55 66.99 1.02 31.99 27.80 12.67 27.40 17.61 13.38 0.03 0.44 0.67 94 K C C 134.68 3.16 8.86 13.60 102.15 83.52 -83.28 7.22 68.53 1.38 30.08 31.14 16.49 21.63 14.18 15.04 0.02 0.60 0.89 95 K C C 143.44 2.44 8.83 12.76 104.97 80.40 -85.18 39.61 76.21 2.03 21.76 39.83 16.41 20.60 9.07 12.01 0.01 0.96 1.12 96 H C C 134.49 3.13 7.96 12.79 106.24 86.12 -90.17 57.99 85.21 1.76 13.04 67.45 4.51 14.37 5.21 6.52 0.00 0.99 0.96 97 H C C 124.44 4.65 10.02 16.30 106.60 120.92 -91.19 67.50 99.54 0.20 0.26 98.91 0.35 0.42 0.09 0.07 0.00 0.10 0.05