# 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 113.15 6.22 13.01 20.50 114.72 -152.75 -92.15 136.26 99.88 0.09 0.03 99.74 0.12 0.07 0.01 0.00 0.00 0.04 0.01 1 N C C 113.09 3.49 12.61 17.80 115.99 -133.90 -91.68 135.01 96.08 2.83 1.09 92.53 2.25 1.36 0.77 0.22 0.00 1.10 1.77 2 V C C 55.15 12.79 8.52 21.46 117.42 -134.14 -93.88 135.67 96.73 2.04 1.23 73.83 22.35 0.57 1.22 0.16 0.00 0.73 1.14 3 P C C 68.56 3.81 15.28 20.17 113.30 -106.07 -64.84 146.26 97.13 0.92 1.95 96.49 0.71 0.33 1.68 0.12 0.00 0.34 0.34 4 K H H 132.04 5.21 12.18 19.31 92.46 -118.11 -59.60 -37.66 4.57 0.02 95.41 1.71 0.72 2.01 94.77 0.78 0.00 0.01 0.01 5 A H H 67.92 2.21 15.80 18.05 92.35 54.96 -64.31 -39.48 1.91 0.01 98.08 0.44 0.21 1.08 97.55 0.71 0.00 0.00 0.00 6 R H H 95.51 7.54 15.63 24.15 92.18 50.02 -65.91 -39.76 0.66 0.00 99.34 0.21 0.07 0.32 98.77 0.63 0.00 0.00 0.00 7 L H H 43.57 13.26 14.38 28.35 91.90 51.00 -63.87 -41.75 0.22 0.00 99.78 0.06 0.02 0.10 99.71 0.11 0.00 0.00 0.00 8 L H H 81.55 5.16 19.09 24.79 91.75 50.70 -64.02 -40.94 0.12 0.00 99.88 0.02 0.01 0.06 99.89 0.03 0.00 0.00 0.00 9 K H H 110.69 3.95 20.93 24.97 91.67 50.22 -64.67 -41.28 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 10 V H H 36.88 13.77 18.69 32.78 91.91 50.14 -64.38 -41.87 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 11 A H H 31.30 13.13 19.55 32.88 91.56 51.11 -63.67 -41.01 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 12 E H H 97.10 4.82 23.02 28.02 91.87 50.17 -64.67 -41.40 0.22 0.00 99.78 0.02 0.01 0.14 99.82 0.02 0.00 0.00 0.00 13 L H H 47.39 8.80 21.46 31.09 91.70 50.00 -64.44 -42.41 0.27 0.00 99.73 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 14 S H H 20.50 14.64 18.84 33.97 91.85 50.84 -64.30 -41.65 0.38 0.00 99.61 0.04 0.02 0.23 99.61 0.09 0.00 0.00 0.00 15 A H H 22.56 10.72 16.86 29.15 91.66 51.77 -63.96 -39.87 0.59 0.00 99.41 0.07 0.03 0.38 99.19 0.33 0.00 0.00 0.00 16 K H H 128.23 3.10 20.73 24.12 92.00 51.68 -65.24 -40.00 1.03 0.00 98.97 0.07 0.05 0.84 98.53 0.51 0.00 0.00 0.00 17 I H H 61.16 11.73 16.84 28.78 93.67 46.62 -69.78 -39.57 2.64 0.01 97.35 0.10 0.14 2.37 96.93 0.45 0.00 0.00 0.00 18 F H H 62.47 12.31 14.36 27.62 97.28 35.60 -96.77 -1.77 30.57 0.09 69.34 1.51 2.65 25.81 68.97 0.93 0.04 0.02 0.07 19 D C T 121.87 1.84 17.35 19.62 93.72 -124.40 56.46 39.70 99.15 0.06 0.79 11.48 5.87 81.98 0.40 0.21 0.00 0.03 0.02 20 Q C C 69.30 8.77 13.68 24.01 133.05 114.82 -131.67 157.81 97.71 1.50 0.80 51.71 42.84 3.13 0.36 0.39 0.00 0.54 1.04 21 N C C 95.89 5.61 16.88 23.70 113.89 -119.55 -94.82 129.73 97.19 2.22 0.59 74.98 19.61 2.56 0.18 0.43 0.00 1.18 1.05 22 F C C 78.48 13.25 12.81 26.22 112.37 -151.79 -94.29 125.15 88.71 10.39 0.91 63.28 22.84 1.65 0.44 0.44 0.00 3.01 8.33 23 N C C 59.24 8.90 12.73 23.09 106.16 17.74 -110.21 84.69 95.86 3.88 0.26 85.44 9.40 0.74 0.10 0.15 0.00 1.72 2.45 24 P C T 85.46 6.54 11.42 19.89 93.65 -173.83 -66.28 -22.03 97.54 0.31 2.15 8.14 17.87 71.36 0.33 1.98 0.00 0.19 0.14 25 S C T 87.62 1.23 13.88 14.63 94.38 52.42 -90.58 -0.87 96.72 0.41 2.86 3.55 22.37 70.90 0.42 2.35 0.00 0.22 0.19 26 G C S 49.05 5.16 11.63 18.59 95.42 -112.16 74.69 14.11 95.60 1.58 2.83 21.94 68.56 5.30 0.51 2.01 0.00 0.64 1.05 27 I C C 97.53 4.10 14.62 20.20 117.72 129.91 -99.99 137.66 94.80 3.13 2.08 68.29 22.81 3.35 1.01 0.96 0.00 1.24 2.34 28 R C C 105.29 11.69 12.94 25.03 111.60 -122.39 -82.53 122.91 88.63 8.04 3.33 74.50 9.57 2.97 2.04 1.23 0.00 2.89 6.81 29 T C C 52.41 8.60 17.42 26.96 113.51 150.41 -110.47 153.22 90.28 2.63 7.09 78.53 8.68 1.99 7.23 0.76 0.00 0.86 1.95 30 G H H 24.43 14.47 15.46 29.49 95.28 -117.36 -50.99 -33.64 26.69 0.49 72.82 11.62 7.98 8.75 68.58 2.60 0.03 0.20 0.23 31 S H H 47.17 8.73 16.36 26.02 92.94 59.88 -64.92 -36.41 9.66 0.16 90.18 4.04 1.66 4.34 85.91 3.88 0.01 0.09 0.06 32 K H H 108.74 4.44 18.29 23.37 92.55 54.40 -65.90 -38.91 3.65 0.10 96.25 1.22 0.58 1.92 90.40 5.77 0.01 0.08 0.02 33 I H H 49.15 12.61 15.26 28.41 92.81 50.69 -66.52 -40.40 2.90 0.07 97.04 0.60 0.37 1.85 91.42 5.70 0.01 0.05 0.01 34 L H H 58.00 13.71 13.87 27.82 92.08 54.46 -70.96 -23.68 10.17 0.08 89.75 0.88 0.90 8.34 85.13 4.63 0.05 0.04 0.04 35 N C H 108.12 3.46 17.00 21.28 94.10 55.66 -87.89 -5.75 51.48 0.20 48.32 3.09 4.27 42.78 46.08 3.48 0.06 0.08 0.16 36 E C S 86.84 8.17 12.95 22.63 119.68 104.50 -80.94 149.00 87.34 0.66 12.00 30.45 48.23 8.35 10.16 2.06 0.00 0.19 0.57 37 R C C 154.93 3.70 17.20 21.98 113.81 -102.64 -71.83 142.83 86.17 1.31 12.52 68.39 9.12 8.53 7.21 5.11 0.00 0.53 1.10 38 L C C 52.62 17.17 9.88 26.29 110.04 -109.72 -73.63 129.22 91.14 1.01 7.85 78.04 6.28 6.95 4.13 3.38 0.00 0.43 0.79 39 K C C 128.39 4.07 15.21 20.74 121.78 -167.47 -116.99 144.09 91.63 1.45 6.92 60.71 24.32 6.27 4.40 2.35 0.00 0.43 1.52 40 G C S 37.57 4.24 15.36 20.59 127.02 27.66 94.23 -172.96 80.11 0.59 19.29 20.13 53.78 5.09 19.04 1.34 0.01 0.14 0.47 41 P H H 98.60 2.98 14.20 18.19 93.90 -43.38 -65.08 -29.81 14.69 0.11 85.20 2.68 2.28 9.64 77.31 7.91 0.06 0.05 0.06 42 S H H 56.60 5.08 14.65 21.13 92.47 58.14 -65.02 -36.18 9.05 0.11 90.83 1.48 1.03 6.13 81.78 9.43 0.05 0.07 0.04 43 V H H 38.58 13.64 12.50 26.67 93.02 51.28 -66.53 -38.79 4.32 0.09 95.59 0.93 0.55 2.66 85.74 10.02 0.02 0.07 0.02 44 A H H 44.53 9.57 13.99 24.69 92.05 55.81 -65.75 -33.13 4.85 0.09 95.06 1.03 0.62 2.99 84.27 10.99 0.02 0.06 0.02 45 S H H 75.44 3.02 17.85 21.17 93.33 61.35 -74.02 -21.84 20.10 0.14 79.76 1.59 1.34 15.99 64.97 15.90 0.07 0.09 0.06 46 Y H H 97.35 10.59 14.72 25.66 96.83 60.37 -78.85 -24.64 35.67 0.33 64.00 2.87 3.73 27.83 52.66 12.33 0.21 0.16 0.22 47 Y C H 86.11 12.68 12.73 25.54 106.77 45.01 -101.10 28.70 59.42 1.99 38.59 15.85 21.34 24.67 30.81 5.00 0.19 0.64 1.51 48 G C C 40.21 5.92 15.40 22.31 116.56 -112.58 83.88 -166.36 96.09 1.13 2.79 45.08 29.49 21.75 0.99 1.55 0.00 0.48 0.68 49 N C C 96.11 4.18 14.93 20.21 111.60 -16.69 -95.02 116.51 96.87 1.11 2.02 69.84 23.24 3.52 0.84 1.12 0.00 0.36 1.09 50 P C T 74.28 10.79 10.43 21.88 95.60 -152.03 -66.32 -14.47 71.50 0.62 27.88 14.80 10.87 45.72 4.54 23.32 0.00 0.31 0.44 51 D C T 110.49 2.59 14.81 18.24 96.54 68.56 -79.74 -10.47 69.96 0.78 29.27 10.69 11.68 47.36 5.42 23.90 0.01 0.40 0.54 52 I C C 90.21 6.52 13.98 21.56 101.88 65.99 -92.64 0.26 64.90 3.67 31.43 23.56 20.39 22.91 7.55 21.72 0.08 1.70 2.07 53 L C C 41.12 15.64 10.53 25.94 115.74 81.91 -96.17 127.15 92.51 3.28 4.21 65.80 24.22 2.43 2.83 1.36 0.00 1.36 2.01 54 K C C 95.50 4.29 19.60 24.04 124.19 -164.82 -103.14 158.81 90.66 7.30 2.04 86.63 3.11 0.42 1.89 0.25 0.00 1.91 5.79 55 F H H 89.28 12.85 12.44 25.56 92.66 -108.82 -59.05 -38.95 1.48 0.01 98.51 0.23 0.19 0.92 98.32 0.33 0.00 0.00 0.00 56 R H H 153.53 1.64 16.91 18.17 91.93 53.45 -64.32 -40.00 0.59 0.00 99.41 0.05 0.03 0.42 99.16 0.32 0.00 0.00 0.00 57 H H H 87.97 4.47 16.05 21.61 92.19 48.98 -66.70 -39.92 0.31 0.00 99.68 0.03 0.02 0.22 99.26 0.47 0.00 0.00 0.00 58 L H H 20.18 16.22 11.09 27.82 92.13 51.36 -64.50 -40.83 0.24 0.00 99.76 0.02 0.01 0.16 99.48 0.32 0.00 0.00 0.00 59 K H H 97.04 7.77 13.72 22.74 91.73 52.79 -65.65 -35.55 1.04 0.00 98.96 0.05 0.04 0.90 98.43 0.58 0.00 0.00 0.00 60 T H H 100.75 1.14 16.24 16.12 93.25 50.46 -69.61 -36.32 4.26 0.00 95.73 0.06 0.11 4.35 94.88 0.59 0.00 0.00 0.00 61 L H H 88.22 5.60 14.18 20.96 96.51 40.77 -81.40 -31.81 5.97 0.01 94.02 0.10 0.42 5.64 93.54 0.28 0.01 0.00 0.00 62 Y C C 59.68 11.69 9.16 21.82 112.56 26.96 -130.96 73.78 99.70 0.17 0.13 69.28 30.09 0.30 0.09 0.03 0.00 0.04 0.18 63 P C T 97.45 3.29 11.49 17.11 93.12 170.42 -64.21 -24.58 94.75 0.11 5.14 1.71 2.84 89.44 0.13 5.77 0.00 0.05 0.05 64 D C T 125.81 0.77 14.33 13.95 92.85 57.42 -85.56 -2.40 95.20 0.08 4.73 1.35 3.04 90.01 0.12 5.41 0.00 0.05 0.02 65 I C C 47.37 14.76 7.90 22.39 114.22 105.12 -82.04 132.23 94.01 0.69 5.30 76.70 12.79 3.75 0.46 5.58 0.00 0.34 0.37 66 E C C 132.46 3.17 17.89 22.04 111.64 -155.42 -96.60 118.94 94.51 3.58 1.92 86.92 4.39 3.22 0.39 1.60 0.00 2.21 1.29 67 F C C 74.11 15.24 12.66 27.62 113.20 -166.51 -99.12 120.92 90.73 8.00 1.27 78.09 10.16 2.21 0.55 0.80 0.00 4.63 3.56 68 V C C 64.17 9.78 14.85 25.81 118.70 -156.34 -104.09 133.84 93.75 5.12 1.12 77.11 15.58 1.08 0.81 0.36 0.00 2.71 2.34 69 D C C 48.83 10.66 12.72 24.82 109.98 -141.91 -94.76 113.93 98.46 0.56 0.98 96.32 1.90 0.37 0.84 0.11 0.00 0.23 0.22 70 L H H 101.04 3.45 15.85 20.46 93.49 -150.73 -61.79 -36.16 2.09 0.00 97.90 0.57 0.24 1.02 97.80 0.37 0.00 0.00 0.00 71 E H H 105.15 3.42 16.77 20.81 92.07 52.53 -64.99 -40.33 0.74 0.00 99.26 0.09 0.06 0.48 99.01 0.36 0.00 0.00 0.00 72 E H H 42.75 11.92 13.44 26.66 92.05 50.02 -65.38 -40.04 0.25 0.00 99.75 0.04 0.02 0.14 99.44 0.36 0.00 0.00 0.00 73 Q H H 81.01 6.04 16.49 23.79 91.59 51.59 -63.49 -41.36 0.12 0.00 99.87 0.02 0.01 0.07 99.78 0.12 0.00 0.00 0.00 74 Y H H 128.60 2.04 19.56 20.51 91.70 49.44 -64.10 -41.92 0.16 0.00 99.84 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 75 R H H 72.96 9.21 16.96 27.40 92.06 50.11 -64.13 -41.99 0.15 0.00 99.85 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 76 L H H 46.72 11.23 16.12 28.49 91.86 50.64 -63.59 -41.55 0.19 0.00 99.81 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 77 S H H 59.02 2.49 20.58 22.20 91.69 50.29 -63.80 -41.09 0.56 0.00 99.44 0.04 0.02 0.47 99.38 0.09 0.00 0.00 0.00 78 M H H 88.25 3.98 19.64 23.95 92.08 49.72 -65.05 -41.40 1.01 0.00 98.99 0.09 0.06 0.73 99.02 0.10 0.00 0.00 0.00 79 V H H 24.85 12.84 14.95 29.28 91.92 49.72 -64.08 -42.27 0.59 0.00 99.41 0.14 0.06 0.32 99.33 0.15 0.00 0.00 0.00 80 E H H 90.62 4.16 18.84 23.56 91.67 50.69 -63.40 -41.26 0.38 0.00 99.62 0.08 0.03 0.21 99.55 0.14 0.00 0.00 0.00 81 A H H 52.60 2.34 17.96 20.00 91.72 50.42 -63.65 -41.28 0.59 0.00 99.41 0.09 0.04 0.37 99.27 0.22 0.00 0.00 0.00 82 K H H 65.21 7.04 13.92 22.90 92.15 50.29 -65.27 -40.59 1.16 0.01 98.83 0.17 0.10 0.77 98.45 0.51 0.00 0.00 0.00 83 K H H 94.03 7.47 12.37 21.20 92.28 51.38 -64.53 -40.25 2.30 0.01 97.69 0.33 0.16 1.67 96.42 1.40 0.00 0.01 0.00 84 R H H 178.06 1.09 14.26 15.04 90.96 52.63 -65.48 -30.42 10.05 0.03 89.92 0.35 0.39 9.80 87.90 1.50 0.02 0.01 0.02 85 R C T 153.71 1.89 12.47 14.81 93.42 50.95 -88.00 -2.18 79.17 0.06 20.77 0.39 1.70 76.73 19.86 1.23 0.00 0.02 0.06 86 G C T 59.10 1.69 12.37 14.89 95.99 -105.91 80.12 10.57 99.54 0.04 0.43 1.12 3.16 95.42 0.18 0.10 0.00 0.02 0.01 87 K C C 121.67 3.91 11.11 16.67 103.66 121.84 -93.67 2.69 98.35 0.75 0.91 57.43 36.36 4.46 0.30 0.57 0.00 0.27 0.61 88 G C S 33.33 5.05 14.39 20.66 131.50 -54.29 125.14 -176.90 97.52 1.65 0.83 45.08 49.17 3.20 0.25 0.51 0.00 0.52 1.27 89 A C C 62.93 5.70 13.69 20.87 117.17 -54.42 -75.60 146.03 98.43 0.97 0.60 84.93 12.88 0.67 0.32 0.25 0.00 0.53 0.43 90 P C C 58.60 10.00 10.39 21.62 113.49 -104.39 -65.58 149.41 93.61 1.18 5.20 83.01 6.31 4.20 1.83 3.25 0.00 0.54 0.87 91 K C C 147.78 2.57 11.83 15.82 104.18 -113.21 -73.75 77.68 82.44 1.66 15.90 50.88 16.51 14.17 3.16 13.39 0.00 0.74 1.16 92 K C C 144.87 2.66 9.37 13.61 109.11 -94.76 -86.22 100.00 77.00 2.26 20.74 40.17 17.78 18.50 3.47 17.75 0.00 1.09 1.24 93 M C C 126.91 3.70 7.49 13.01 109.59 -124.87 -86.39 120.86 79.64 1.83 18.53 50.87 14.58 12.98 3.25 16.44 0.00 0.91 0.96 94 K C C 150.06 2.25 7.89 11.96 110.81 -131.84 -89.40 121.59 91.00 1.36 7.64 83.29 2.48 6.40 2.22 4.23 0.00 0.70 0.67 95 K C C 156.07 2.08 10.39 14.03 109.91 -127.23 -84.35 121.78 99.92 0.04 0.03 99.73 0.13 0.09 0.01 0.00 0.00 0.02 0.01