# 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 L C C 78.01 9.72 10.79 21.40 117.27 -146.95 -88.46 143.77 99.94 0.05 0.01 99.71 0.23 0.02 0.01 0.00 0.00 0.02 0.01 1 N C C 97.81 2.75 15.01 18.17 111.89 -107.21 -75.42 136.85 98.43 0.11 1.45 97.95 0.35 0.20 1.38 0.03 0.00 0.02 0.07 2 P H H 75.84 7.63 11.13 20.20 93.71 -125.86 -60.79 -36.15 6.11 0.02 93.87 2.09 0.72 2.69 93.89 0.60 0.00 0.00 0.01 3 S H H 59.93 6.27 13.06 20.62 92.68 55.12 -65.55 -38.25 2.75 0.01 97.24 0.72 0.28 1.46 96.93 0.60 0.00 0.00 0.00 4 L H H 95.61 2.54 15.69 18.50 92.43 50.47 -65.67 -40.54 0.62 0.00 99.37 0.22 0.07 0.27 99.07 0.38 0.00 0.00 0.00 5 V H H 70.11 4.26 16.08 21.40 92.18 49.58 -64.79 -42.64 0.23 0.00 99.76 0.08 0.02 0.09 99.72 0.09 0.00 0.00 0.00 6 I H H 59.64 9.88 15.41 26.36 92.12 49.06 -64.50 -42.25 0.21 0.00 99.79 0.06 0.02 0.10 99.79 0.04 0.00 0.00 0.00 7 S H H 50.48 6.48 16.92 24.41 92.05 49.56 -64.14 -41.56 0.32 0.00 99.68 0.06 0.02 0.18 99.70 0.04 0.00 0.00 0.00 8 L H H 98.54 2.16 20.35 21.42 92.10 48.46 -65.54 -41.09 0.47 0.00 99.53 0.06 0.03 0.28 99.59 0.04 0.00 0.00 0.00 9 S H H 46.20 5.93 18.20 25.08 92.81 49.13 -65.96 -41.27 0.92 0.00 99.08 0.16 0.06 0.54 99.19 0.05 0.00 0.00 0.00 10 T H H 39.98 11.74 16.57 29.00 92.55 50.15 -65.22 -41.44 1.29 0.00 98.70 0.20 0.11 0.83 98.78 0.08 0.00 0.00 0.00 11 G H H 33.43 5.25 18.76 24.68 91.79 51.21 -63.29 -41.71 1.22 0.00 98.78 0.20 0.10 0.77 98.83 0.09 0.00 0.00 0.00 12 L H H 95.18 2.21 20.59 21.68 91.82 49.47 -64.91 -41.39 0.57 0.00 99.43 0.13 0.05 0.31 99.38 0.14 0.00 0.00 0.00 13 S H H 43.57 7.52 17.12 25.86 92.12 50.29 -64.73 -41.13 0.55 0.01 99.44 0.12 0.04 0.34 99.27 0.23 0.00 0.00 0.00 14 L H H 66.63 9.69 16.64 26.99 92.03 50.94 -64.31 -41.76 0.49 0.01 99.50 0.06 0.03 0.35 99.31 0.25 0.00 0.00 0.00 15 F H H 115.77 2.95 19.33 22.10 91.87 49.88 -63.74 -42.26 0.94 0.01 99.05 0.10 0.06 0.72 98.75 0.36 0.00 0.01 0.00 16 L H H 87.00 3.03 19.10 22.01 91.76 49.30 -64.77 -40.70 1.54 0.01 98.45 0.20 0.11 1.11 97.95 0.62 0.00 0.01 0.00 17 G H H 19.11 10.20 14.74 26.53 91.94 51.59 -64.45 -40.27 4.26 0.01 95.72 0.34 0.24 3.52 94.28 1.59 0.01 0.01 0.00 18 R H H 104.37 8.33 16.22 25.38 92.42 51.46 -66.05 -39.08 7.28 0.03 92.70 0.40 0.41 6.49 89.76 2.88 0.03 0.01 0.01 19 F H H 126.09 2.84 17.73 20.57 94.97 45.96 -72.54 -37.15 12.12 0.17 87.72 1.30 1.27 9.87 82.32 4.95 0.12 0.09 0.09 20 V H H 81.50 4.14 16.78 21.50 98.41 40.74 -80.61 -36.84 28.12 0.44 71.43 2.48 2.62 23.12 65.39 5.68 0.22 0.25 0.25 21 F H H 83.22 9.11 14.34 24.42 99.68 41.49 -89.80 -22.22 38.67 0.99 60.34 6.05 6.26 26.99 52.42 6.80 0.39 0.50 0.58 22 F H H 86.37 9.67 13.43 24.09 100.47 74.27 -72.10 -26.87 43.77 1.85 54.38 17.41 11.12 17.30 41.38 10.83 0.17 0.90 0.89 23 N H H 90.21 4.58 15.54 21.11 96.26 56.16 -74.09 -21.83 46.23 1.33 52.44 19.74 8.04 19.38 40.21 11.25 0.07 0.71 0.61 24 F H H 107.47 5.62 14.76 21.54 100.80 57.25 -85.79 -14.17 39.04 2.20 58.75 17.61 8.43 14.83 44.52 12.32 0.16 1.21 0.92 25 Q H H 85.55 7.97 14.10 23.18 100.78 64.58 -77.40 -25.82 40.33 3.49 56.17 22.46 8.82 11.46 46.28 7.63 0.12 2.01 1.22 26 R H H 114.98 8.44 13.86 23.15 100.41 65.23 -75.78 -27.31 35.28 2.35 62.36 22.22 7.39 8.19 54.26 5.79 0.05 1.25 0.83 27 E H H 116.07 3.54 15.71 19.98 95.00 60.37 -67.27 -37.65 22.57 0.80 76.64 8.82 4.24 10.90 68.14 7.02 0.09 0.49 0.29 28 N H H 82.75 4.41 15.82 21.00 95.72 46.85 -70.31 -32.97 23.97 0.72 75.31 7.95 4.20 13.14 66.51 7.34 0.13 0.43 0.30 29 V H H 44.34 10.23 12.55 24.12 94.87 52.94 -68.67 -38.80 20.03 0.91 79.07 8.18 4.58 9.34 69.50 7.39 0.13 0.51 0.37 30 A H H 49.68 8.55 12.71 22.47 93.11 54.70 -65.60 -36.75 22.80 0.75 76.45 8.53 4.22 11.38 64.45 10.59 0.09 0.44 0.30 31 K H H 154.66 1.47 15.49 16.77 94.05 51.71 -73.59 -24.14 34.49 0.83 64.68 8.29 5.82 21.27 52.24 11.35 0.16 0.45 0.41 32 Q C H 113.06 3.79 13.36 18.20 97.45 55.17 -85.50 -6.48 55.14 1.06 43.80 10.87 12.34 32.89 33.60 8.98 0.16 0.46 0.70 33 G C C 42.31 4.49 15.12 20.89 115.83 -108.16 91.67 158.43 93.58 1.18 5.25 40.12 19.92 34.25 2.38 2.19 0.00 0.52 0.63 34 L C C 65.49 12.89 10.86 23.98 117.42 -72.27 -84.31 140.59 96.31 2.20 1.49 74.98 19.69 1.65 0.74 0.68 0.00 0.96 1.29 35 P C C 61.65 8.01 13.92 23.42 113.86 -106.21 -68.02 150.48 90.42 4.67 4.90 76.28 8.64 5.13 1.80 3.12 0.00 2.57 2.46 36 E C C 123.73 4.81 12.78 19.28 113.01 -113.43 -81.87 139.73 82.37 9.98 7.65 61.29 12.41 7.79 2.73 5.11 0.01 5.52 5.14 37 Q C C 113.86 6.07 9.12 16.75 108.97 -127.07 -86.52 120.79 78.18 10.87 10.95 36.27 19.66 23.38 3.09 7.18 0.05 5.91 4.44 38 N C T 130.42 1.33 12.06 13.60 99.40 7.12 -83.17 17.28 91.25 1.63 7.12 17.77 22.55 51.20 1.73 5.07 0.00 0.91 0.77 39 G C T 58.06 2.02 11.65 14.76 98.29 -79.37 83.31 2.72 92.45 2.15 5.39 23.59 34.19 35.21 1.15 3.84 0.00 1.13 0.89 40 V C C 70.86 5.69 10.61 18.39 119.77 122.17 -94.62 143.70 84.87 10.54 4.59 57.31 24.07 3.48 3.25 1.53 0.01 4.83 5.52 41 T C C 61.33 5.13 14.87 21.35 118.37 -118.37 -80.55 157.79 80.61 9.59 9.79 68.09 8.87 2.77 9.33 1.64 0.00 5.28 4.01 42 H H H 91.32 10.83 13.20 24.71 93.51 -113.86 -61.50 -36.72 20.87 1.55 77.59 11.01 5.45 7.14 71.32 3.60 0.10 0.90 0.48 43 F H H 113.25 5.58 16.68 23.15 93.04 52.93 -66.00 -40.50 13.90 0.74 85.36 5.72 2.85 6.73 80.02 3.88 0.09 0.49 0.22 44 E H H 105.75 2.76 18.89 21.37 92.77 48.56 -67.18 -40.06 10.89 0.56 88.55 5.64 2.01 4.42 83.23 4.13 0.03 0.39 0.15 45 A H H 31.54 8.14 15.20 25.21 92.97 50.66 -65.60 -40.03 9.77 0.28 89.95 4.78 1.73 4.05 86.48 2.69 0.02 0.16 0.09 46 G H H 19.11 10.77 15.50 27.44 93.92 51.10 -64.48 -41.00 12.99 0.25 86.75 5.68 2.18 5.88 84.13 1.88 0.02 0.13 0.09 47 D H H 73.31 5.34 17.84 23.89 92.88 51.13 -66.37 -39.73 9.31 0.22 90.48 5.22 1.59 3.24 88.35 1.41 0.01 0.11 0.06 48 T H H 77.44 2.37 19.63 21.08 92.76 49.79 -65.97 -41.28 4.89 0.14 94.97 2.48 0.90 1.86 93.65 1.01 0.01 0.08 0.03 49 R H H 105.19 6.10 18.00 24.91 92.56 49.50 -65.95 -40.54 4.18 0.13 95.69 1.99 0.58 1.73 94.65 0.94 0.01 0.07 0.03 50 A H H 29.60 11.88 13.71 26.66 92.29 52.36 -64.53 -40.14 3.28 0.07 96.65 1.46 0.41 1.38 95.75 0.95 0.00 0.04 0.01 51 K H H 125.43 2.68 18.19 21.10 92.10 51.24 -64.50 -40.53 3.29 0.06 96.65 1.08 0.42 1.73 95.56 1.16 0.01 0.03 0.01 52 E H H 112.19 2.18 18.31 19.88 92.38 49.41 -66.00 -40.05 5.24 0.07 94.69 1.32 0.56 3.23 93.39 1.43 0.01 0.04 0.02 53 Y H H 82.86 9.30 14.73 25.16 93.02 48.20 -68.10 -38.46 9.15 0.12 90.73 2.61 1.12 5.47 88.42 2.26 0.02 0.07 0.04 54 V H H 58.26 9.44 13.83 24.43 92.88 53.98 -65.04 -39.50 11.13 0.18 88.68 3.54 1.47 6.18 82.62 5.98 0.02 0.11 0.06 55 S H H 70.07 2.46 16.19 18.86 92.44 54.19 -65.87 -35.35 19.15 0.17 80.68 2.94 1.86 13.74 71.19 10.05 0.05 0.10 0.07 56 L H H 99.48 3.91 14.55 19.47 93.84 52.14 -72.20 -25.81 29.28 0.32 70.40 4.52 3.28 21.12 60.67 9.96 0.10 0.18 0.17 57 L H H 76.08 10.51 11.00 22.03 99.64 63.95 -81.06 -11.59 45.87 2.47 51.66 17.72 9.07 21.37 41.70 7.49 0.22 1.19 1.23 58 K C C 142.16 3.23 14.08 18.62 103.20 118.08 -85.08 17.09 68.76 5.77 25.47 35.76 15.60 18.19 20.10 4.85 0.09 2.58 2.83 59 S C C 58.98 7.26 10.90 19.55 113.51 100.37 -94.72 141.11 84.55 5.17 10.27 52.24 17.40 15.14 6.62 3.47 0.01 2.54 2.58 60 N C C 122.01 2.94 13.80 18.19 100.62 -140.57 -88.72 22.14 94.70 3.40 1.90 50.39 35.41 9.10 0.60 1.24 0.00 1.64 1.61 61 D C C 66.94 8.64 10.98 21.16 113.44 138.71 -90.21 122.83 97.36 2.24 0.40 74.78 21.23 1.23 0.14 0.26 0.00 0.94 1.42 62 P C T 90.67 5.68 12.74 20.10 97.17 -146.57 -66.95 -15.12 93.27 1.02 5.72 32.39 16.02 44.66 0.80 5.13 0.00 0.51 0.49 63 V C T 95.23 5.41 14.69 21.12 101.37 61.52 -86.22 1.27 91.94 1.56 6.49 13.76 20.09 57.80 0.90 5.80 0.00 0.82 0.83 64 G C C 32.30 8.37 17.00 26.25 114.79 -112.00 91.76 172.45 92.29 2.65 5.06 46.36 24.67 20.94 0.79 4.58 0.00 1.29 1.37 65 F C C 62.39 17.45 12.74 29.25 115.27 -65.45 -92.06 132.69 93.05 5.84 1.12 82.38 8.98 0.96 0.64 0.44 0.00 2.07 4.53 66 N C C 61.64 7.03 21.33 28.51 130.83 -166.31 -113.10 174.72 91.25 7.14 1.61 80.30 9.22 0.44 1.67 0.17 0.00 1.30 6.89 67 I H H 87.93 10.88 17.53 28.81 91.37 -93.32 -60.31 -37.10 0.88 0.00 99.11 0.11 0.11 0.52 99.11 0.14 0.00 0.00 0.00 68 V H H 72.17 7.38 20.86 28.67 92.01 52.76 -64.45 -41.28 0.26 0.00 99.74 0.02 0.02 0.17 99.67 0.11 0.00 0.00 0.00 69 D H H 31.75 15.14 19.77 34.89 91.89 49.80 -64.90 -40.91 0.08 0.00 99.92 0.01 0.00 0.05 99.84 0.10 0.00 0.00 0.00 70 V H H 30.36 17.10 20.52 36.97 92.04 49.40 -64.38 -42.61 0.05 0.00 99.95 0.00 0.00 0.04 99.91 0.05 0.00 0.00 0.00 71 L H H 66.91 10.38 23.81 34.17 91.82 49.68 -64.13 -42.03 0.16 0.00 99.84 0.01 0.00 0.12 99.79 0.07 0.00 0.00 0.00 72 A H H 34.89 10.76 23.58 34.60 91.79 50.18 -64.22 -41.92 0.81 0.00 99.19 0.03 0.02 0.72 98.96 0.26 0.00 0.00 0.00 73 W H H 70.00 15.31 24.18 38.54 92.08 48.90 -65.56 -40.66 3.70 0.00 96.30 0.13 0.13 3.50 95.33 0.91 0.00 0.00 0.00 74 G H H 15.48 15.91 22.61 38.03 92.06 51.40 -65.76 -39.80 14.83 0.01 85.15 0.46 0.59 13.65 84.11 1.17 0.01 0.00 0.01 75 S H H 39.24 10.36 24.86 35.40 92.78 51.64 -65.30 -41.60 16.54 0.07 83.39 1.93 1.47 12.83 82.41 1.26 0.03 0.03 0.05 76 I H H 62.52 10.45 26.02 36.40 91.82 49.52 -63.98 -42.70 2.50 0.01 97.48 0.56 0.33 1.53 97.21 0.36 0.00 0.00 0.01 77 G H H 13.70 16.18 22.05 37.95 91.92 51.37 -63.88 -42.09 1.11 0.00 98.88 0.25 0.10 0.68 98.70 0.26 0.00 0.00 0.00 78 H H H 64.02 13.60 23.40 36.42 92.03 50.60 -64.27 -41.72 0.55 0.00 99.44 0.12 0.04 0.35 99.28 0.21 0.00 0.00 0.00 79 I H H 68.82 8.41 25.10 33.90 91.65 49.54 -64.10 -42.75 0.26 0.00 99.73 0.04 0.01 0.16 99.67 0.10 0.00 0.00 0.00 80 V H H 47.12 11.68 24.20 35.68 91.61 48.53 -64.20 -42.43 0.26 0.00 99.74 0.04 0.01 0.16 99.72 0.07 0.00 0.00 0.00 81 A H H 19.19 16.30 20.66 36.97 91.80 51.37 -63.65 -42.31 0.34 0.00 99.66 0.03 0.01 0.23 99.63 0.09 0.00 0.00 0.00 82 Y H H 92.22 9.56 23.60 33.43 91.75 50.14 -63.72 -42.36 0.37 0.00 99.63 0.04 0.02 0.25 99.59 0.11 0.00 0.00 0.00 83 Y H H 95.62 8.29 23.55 31.88 92.03 49.47 -64.78 -41.99 0.56 0.00 99.44 0.06 0.03 0.38 99.38 0.15 0.00 0.00 0.00 84 I H H 40.47 14.34 20.54 34.93 92.28 49.59 -64.86 -42.61 1.15 0.01 98.84 0.18 0.08 0.74 98.71 0.28 0.00 0.00 0.00 85 L H H 52.55 11.68 20.61 32.53 91.94 49.37 -64.08 -41.67 2.29 0.03 97.68 0.38 0.20 1.55 97.25 0.60 0.01 0.01 0.01 86 A H H 45.54 5.89 20.25 27.05 91.81 50.30 -64.58 -40.77 7.03 0.07 92.90 0.98 0.64 5.19 91.67 1.43 0.03 0.03 0.02 87 T H H 46.01 8.89 16.97 26.94 93.04 49.19 -68.11 -37.70 15.25 0.28 84.47 3.13 2.13 10.45 81.17 2.75 0.10 0.14 0.14 88 S H H 46.25 11.09 14.86 26.40 93.78 53.05 -67.94 -35.27 22.89 0.58 76.53 6.38 3.88 14.10 69.51 5.40 0.15 0.30 0.29 89 S H H 75.92 4.04 15.63 20.67 94.93 55.24 -75.25 -18.88 36.81 0.83 62.36 6.95 6.00 25.10 55.23 5.63 0.24 0.40 0.46 90 N C T 101.97 3.60 14.30 18.77 97.37 52.92 -90.91 0.55 70.29 0.83 28.89 7.73 11.78 49.89 23.87 5.69 0.06 0.36 0.63 91 G C T 52.73 3.31 14.11 18.56 98.77 -107.91 82.83 8.68 96.12 0.90 2.97 23.27 16.58 56.68 1.19 1.42 0.00 0.52 0.33 92 Y C C 107.93 8.45 11.26 21.15 117.12 130.75 -90.76 138.07 92.56 5.76 1.68 70.00 17.60 4.22 0.65 1.06 0.00 2.73 3.74 93 D C C 75.36 6.79 12.47 20.90 111.64 -138.95 -98.92 112.64 96.87 2.35 0.78 83.00 12.09 1.61 0.22 0.63 0.00 1.39 1.06 94 P C T 78.27 8.41 10.55 20.40 97.46 -152.65 -66.11 -16.43 94.60 0.77 4.63 31.80 12.43 49.35 0.32 5.40 0.00 0.47 0.23 95 K C T 156.08 1.79 13.31 15.77 98.72 68.36 -81.44 -1.40 94.23 0.56 5.21 42.90 5.41 45.85 0.54 4.75 0.00 0.34 0.21 96 F C C 103.31 9.64 10.83 21.15 102.04 95.61 -81.28 24.03 99.71 0.19 0.10 98.54 1.00 0.23 0.03 0.05 0.00 0.09 0.07