# 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 99.06 8.67 12.35 22.07 117.92 -164.38 -96.98 136.49 99.90 0.07 0.03 99.82 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 K C C 141.39 3.29 12.84 17.87 114.06 -125.27 -84.65 138.41 89.22 1.90 8.88 83.91 1.13 5.18 5.92 1.95 0.00 1.07 0.84 2 M C C 109.61 7.59 10.62 19.54 111.06 -115.73 -78.78 136.01 82.75 2.19 15.07 59.17 12.20 11.09 10.68 4.58 0.00 1.08 1.18 3 A C C 53.72 8.50 12.82 22.52 111.32 -122.37 -84.71 143.55 80.97 1.36 17.67 55.23 16.81 8.55 14.00 4.04 0.00 0.57 0.79 4 S C C 46.59 7.20 17.44 25.48 119.65 -116.12 -83.64 161.22 74.92 1.18 23.90 50.91 18.61 4.16 23.59 1.70 0.00 0.38 0.65 5 T H H 48.26 14.11 16.88 31.01 93.40 -104.04 -62.24 -36.74 8.24 0.07 91.69 3.09 1.99 3.24 90.63 0.98 0.01 0.02 0.03 6 R H H 71.28 15.74 19.02 34.02 91.94 53.75 -63.75 -41.12 3.95 0.03 96.02 1.18 0.61 2.14 95.13 0.91 0.01 0.01 0.01 7 C H H 33.48 10.89 19.97 31.80 92.18 50.21 -65.20 -41.40 2.08 0.02 97.90 0.80 0.30 1.00 97.00 0.88 0.00 0.01 0.01 8 K H H 71.34 9.45 22.62 32.56 91.65 51.28 -64.08 -41.89 1.08 0.01 98.91 0.37 0.12 0.53 98.49 0.48 0.00 0.00 0.00 9 L H H 13.46 20.76 20.17 40.60 91.57 50.26 -63.99 -42.67 1.13 0.01 98.86 0.28 0.11 0.68 98.52 0.41 0.00 0.00 0.00 10 A H H 15.83 16.33 20.01 36.68 91.26 51.43 -63.72 -41.42 0.70 0.00 99.30 0.15 0.06 0.41 99.04 0.34 0.00 0.00 0.00 11 R H H 117.00 4.74 24.24 29.06 91.80 51.39 -63.90 -41.87 0.73 0.00 99.27 0.11 0.06 0.50 98.29 1.04 0.00 0.00 0.00 12 Y H H 44.54 13.84 20.43 34.66 91.85 49.45 -64.48 -42.14 1.00 0.00 99.00 0.10 0.06 0.75 97.60 1.48 0.00 0.00 0.00 13 L H H 9.88 23.43 15.83 39.15 91.52 51.14 -65.74 -35.85 1.91 0.01 98.09 0.16 0.12 1.49 94.98 3.24 0.00 0.00 0.00 14 E H H 100.72 8.64 19.52 28.76 91.37 59.11 -67.61 -25.65 22.70 0.01 77.29 0.36 0.52 22.58 73.60 2.93 0.01 0.00 0.01 15 D C T 95.20 3.53 20.59 24.23 94.70 52.46 -90.69 -5.53 62.30 0.02 37.67 1.38 1.65 59.05 35.04 2.85 0.00 0.01 0.02 16 L C C 18.91 21.92 7.81 28.20 117.82 107.71 -77.41 142.73 98.14 0.55 1.31 75.47 21.60 0.76 1.23 0.17 0.00 0.11 0.66 17 E C C 109.31 2.14 20.14 21.10 121.42 -130.82 -85.39 162.95 98.20 0.52 1.28 97.50 0.59 0.20 1.15 0.06 0.00 0.10 0.41 18 D H H 100.47 5.16 13.87 20.88 92.18 -99.83 -58.35 -40.20 2.93 0.01 97.06 0.52 0.45 1.82 96.03 1.17 0.00 0.00 0.00 19 V H H 92.80 1.83 18.13 19.03 92.05 51.25 -64.65 -40.75 1.54 0.00 98.46 0.16 0.13 1.16 96.98 1.58 0.00 0.00 0.00 20 D H H 40.15 11.42 16.25 28.76 92.09 49.45 -65.55 -40.04 0.81 0.00 99.19 0.12 0.06 0.55 97.53 1.74 0.00 0.00 0.00 21 L H H 16.27 19.03 14.04 33.34 91.38 51.09 -63.09 -41.78 0.59 0.00 99.41 0.09 0.04 0.38 98.66 0.83 0.00 0.00 0.00 22 K H H 114.16 3.28 21.86 25.05 91.42 51.25 -63.82 -40.87 1.03 0.00 98.97 0.09 0.04 0.77 98.49 0.61 0.00 0.00 0.00 23 K H H 98.76 4.51 21.96 26.55 91.47 50.23 -64.41 -41.47 1.51 0.00 98.49 0.09 0.06 1.19 97.69 0.96 0.00 0.00 0.00 24 F H H 12.18 21.35 16.83 38.33 91.45 49.87 -64.24 -42.25 1.19 0.00 98.81 0.15 0.07 0.79 97.40 1.59 0.00 0.00 0.00 25 K H H 67.65 14.22 19.74 33.50 91.47 52.31 -62.05 -41.62 1.02 0.00 98.98 0.10 0.05 0.71 96.79 2.34 0.00 0.00 0.00 26 M H H 95.58 2.49 23.26 24.47 91.65 50.60 -63.70 -41.85 1.53 0.00 98.46 0.10 0.08 1.20 95.32 3.30 0.00 0.00 0.00 27 H H H 50.05 10.55 19.62 31.27 91.86 50.05 -64.66 -41.38 3.71 0.01 96.27 0.34 0.26 2.84 92.84 3.71 0.00 0.00 0.00 28 L H H 9.47 22.93 13.74 36.64 91.58 51.79 -67.05 -34.90 7.52 0.04 92.44 0.87 0.64 5.31 84.68 8.46 0.01 0.02 0.02 29 E H H 104.99 7.82 18.42 27.01 91.40 57.60 -69.19 -23.74 28.37 0.08 71.55 1.68 1.86 23.97 65.00 7.37 0.03 0.03 0.06 30 D C T 103.87 2.40 19.51 21.64 95.31 52.28 -89.73 -5.28 61.25 0.15 38.60 7.01 5.75 47.23 32.49 7.30 0.01 0.05 0.14 31 Y C S 65.95 14.87 11.43 26.47 116.54 95.86 -88.97 131.08 98.90 0.28 0.82 33.71 64.37 0.80 0.66 0.13 0.00 0.06 0.27 32 P C C 62.97 6.40 15.33 23.27 114.29 -113.58 -67.78 148.50 97.30 0.49 2.22 92.38 3.35 1.81 1.06 0.78 0.00 0.16 0.47 33 P C C 76.72 9.97 11.65 22.31 100.77 -115.68 -67.87 -11.44 73.23 1.22 25.56 42.45 10.89 19.32 4.85 21.06 0.00 0.55 0.86 34 Q C T 113.41 4.56 12.51 18.58 113.56 67.08 -92.76 136.03 62.03 2.72 35.25 18.52 15.36 29.91 5.41 27.81 0.03 1.27 1.70 35 K C T 161.47 1.83 12.89 15.58 107.76 -70.38 -71.17 122.57 71.35 0.71 27.94 6.66 12.50 51.00 3.09 25.86 0.00 0.36 0.53 36 G C T 60.56 1.46 13.97 15.54 98.84 10.96 84.46 -2.09 94.32 0.47 5.21 15.58 15.69 62.68 0.81 4.72 0.00 0.25 0.28 37 C C C 40.24 14.16 8.68 22.76 120.85 120.42 -92.09 145.63 92.41 6.25 1.35 72.93 15.73 2.75 0.45 0.92 0.00 2.39 4.83 38 I C C 99.14 4.68 18.99 24.56 118.45 -136.28 -97.56 136.98 94.57 5.17 0.26 82.61 11.36 0.74 0.09 0.16 0.00 2.98 2.06 39 P C C 73.98 10.65 17.58 28.52 114.65 -107.32 -67.61 146.50 95.35 4.46 0.20 79.05 15.81 0.76 0.07 0.12 0.00 2.18 2.01 40 L C C 17.71 21.81 11.57 33.14 113.14 -115.66 -84.46 129.97 97.01 2.85 0.14 86.59 10.37 0.24 0.08 0.05 0.00 1.10 1.56 41 P C C 64.26 4.81 21.36 26.34 112.46 -109.62 -66.43 142.85 97.37 1.92 0.71 96.14 1.15 0.40 0.41 0.13 0.00 0.68 1.07 42 R H H 118.82 12.55 12.99 25.53 93.24 -119.51 -59.32 -36.78 28.14 0.28 71.58 4.60 4.40 17.79 51.32 21.42 0.12 0.12 0.22 43 G H H 45.04 2.85 18.07 20.79 92.85 54.64 -64.22 -34.64 23.75 0.14 76.11 2.57 2.68 16.39 53.86 24.28 0.06 0.06 0.10 44 Q H H 82.95 7.38 17.89 26.06 93.22 54.60 -72.62 -27.78 15.10 0.14 84.77 3.75 2.10 8.00 60.46 25.52 0.02 0.07 0.07 45 T H H 7.34 23.94 10.67 33.76 93.20 58.22 -71.02 -28.77 18.03 0.22 81.75 4.84 2.72 9.34 59.44 23.42 0.03 0.10 0.11 46 E H H 110.44 8.12 17.27 26.31 92.17 68.57 -66.03 -25.81 45.90 0.13 53.97 2.36 3.14 38.84 40.00 15.43 0.05 0.06 0.13 47 K C T 163.10 0.94 19.80 18.67 95.05 48.78 -92.65 -3.90 63.01 0.12 36.87 2.82 4.24 55.30 24.32 13.12 0.01 0.06 0.13 48 A C C 18.93 18.40 9.04 26.83 120.66 108.85 -77.54 151.82 98.80 0.48 0.72 50.88 47.24 0.59 0.58 0.11 0.00 0.08 0.52 49 D C C 76.98 3.25 23.51 25.85 122.28 -120.03 -81.19 163.85 99.26 0.47 0.27 98.03 1.16 0.07 0.24 0.02 0.00 0.08 0.40 50 H H H 62.23 18.97 15.91 33.84 91.62 -99.96 -59.08 -39.07 1.09 0.00 98.91 0.11 0.13 0.71 98.90 0.14 0.00 0.00 0.00 51 V H H 60.32 12.17 21.48 33.35 91.85 52.07 -64.32 -41.08 0.50 0.00 99.50 0.04 0.03 0.37 99.42 0.15 0.00 0.00 0.00 52 D H H 63.57 6.64 25.38 32.40 91.73 49.19 -65.56 -40.69 0.20 0.00 99.80 0.03 0.01 0.12 99.70 0.14 0.00 0.00 0.00 53 L H H 7.30 22.26 21.13 43.16 91.54 49.90 -63.84 -43.50 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 54 A H H 3.67 23.22 21.26 44.42 91.03 50.49 -62.88 -43.10 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 55 T H H 58.19 7.57 27.14 35.36 91.60 50.13 -63.94 -42.03 0.12 0.00 99.88 0.00 0.00 0.11 99.85 0.04 0.00 0.00 0.00 56 L H H 25.23 12.40 24.25 37.51 91.53 50.05 -63.94 -42.75 0.24 0.00 99.76 0.01 0.01 0.20 99.73 0.06 0.00 0.00 0.00 57 M H H 4.64 24.11 19.06 43.30 91.72 50.17 -63.71 -42.99 0.79 0.00 99.21 0.08 0.06 0.58 99.15 0.12 0.00 0.00 0.00 58 I H H 33.93 16.02 18.73 34.64 92.17 48.42 -65.08 -41.64 1.32 0.01 98.67 0.23 0.17 0.82 98.61 0.16 0.00 0.00 0.01 59 D H H 103.42 2.36 22.21 24.37 92.67 47.50 -67.30 -39.20 2.13 0.00 97.87 0.16 0.16 1.71 97.72 0.24 0.00 0.00 0.00 60 F H H 80.89 11.38 18.08 29.64 98.34 37.79 -82.52 -39.31 5.13 0.00 94.86 0.11 0.31 4.73 94.59 0.26 0.01 0.00 0.00 61 N H H 48.26 13.59 14.61 28.55 101.42 23.50 -108.35 -11.16 13.98 0.06 85.96 0.93 3.37 9.63 85.73 0.26 0.03 0.01 0.04 62 G C C 24.79 4.03 20.57 25.58 126.44 -113.05 95.79 166.55 92.07 0.24 7.69 87.25 2.48 1.49 8.20 0.34 0.00 0.06 0.18 63 E H H 89.31 14.58 14.14 28.18 91.89 -83.27 -60.57 -39.25 1.94 0.00 98.06 0.30 0.32 1.12 97.85 0.40 0.00 0.00 0.00 64 E H H 131.25 2.71 21.26 24.40 91.82 51.34 -64.18 -40.70 0.91 0.00 99.09 0.07 0.06 0.68 98.75 0.45 0.00 0.00 0.00 65 K H H 88.49 7.77 21.87 29.89 92.39 47.45 -67.19 -39.07 0.47 0.00 99.53 0.05 0.03 0.34 99.06 0.53 0.00 0.00 0.00 66 A H H 3.06 23.39 16.24 40.11 91.50 51.25 -63.37 -43.57 0.09 0.00 99.91 0.01 0.00 0.05 99.88 0.05 0.00 0.00 0.00 67 W H H 46.53 17.80 22.78 39.63 91.74 50.27 -63.63 -42.01 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 68 A H H 47.96 5.54 27.38 33.59 91.43 51.13 -63.61 -42.42 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 69 M H H 19.34 17.32 24.00 41.14 91.44 49.51 -64.49 -42.60 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 70 A H H 1.58 26.07 21.64 47.74 91.30 50.67 -63.40 -42.88 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 71 V H H 39.35 13.97 24.65 38.31 91.66 50.17 -63.88 -42.24 0.18 0.00 99.82 0.01 0.00 0.14 99.84 0.01 0.00 0.00 0.00 72 W H H 113.97 6.50 26.92 34.01 91.78 49.83 -64.78 -42.07 0.17 0.00 99.83 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 73 I H H 7.44 21.27 21.33 42.54 91.40 49.31 -64.01 -43.92 0.16 0.00 99.84 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 74 F H H 11.79 21.09 18.74 39.87 91.33 49.64 -63.87 -42.18 0.27 0.00 99.73 0.02 0.01 0.19 99.67 0.11 0.00 0.00 0.00 75 A H H 50.22 6.40 20.90 27.97 91.70 51.27 -64.06 -40.60 1.39 0.00 98.61 0.05 0.04 1.19 98.44 0.27 0.00 0.00 0.00 76 A H H 50.23 8.84 18.90 28.60 90.76 54.83 -66.01 -30.19 8.65 0.00 91.35 0.12 0.20 8.74 90.60 0.34 0.00 0.00 0.00 77 I C T 29.35 16.93 14.22 31.67 95.54 48.55 -93.44 5.30 89.19 0.01 10.80 0.36 1.90 86.29 10.98 0.44 0.00 0.00 0.02 78 N C T 124.66 2.15 20.08 22.32 93.86 -114.92 60.08 35.55 99.52 0.01 0.47 1.10 1.67 96.88 0.30 0.05 0.00 0.00 0.00 79 R C C 53.37 14.83 12.28 27.73 104.18 129.84 -111.13 52.36 98.98 0.23 0.79 98.23 0.56 0.44 0.46 0.10 0.00 0.05 0.16 80 R H H 125.13 6.99 15.48 24.40 94.31 147.61 -64.33 -36.80 5.03 0.01 94.96 2.61 0.57 1.70 94.27 0.84 0.00 0.00 0.00 81 D H H 97.24 1.87 21.54 22.20 91.83 54.92 -64.67 -38.56 1.86 0.00 98.14 0.28 0.16 1.21 97.29 1.06 0.00 0.00 0.00 82 L H H 23.17 15.19 17.10 32.98 92.11 50.45 -65.67 -41.78 0.55 0.00 99.45 0.09 0.04 0.33 98.63 0.91 0.00 0.00 0.00 83 Y H H 28.57 17.90 15.22 33.29 91.68 51.70 -62.73 -42.67 0.30 0.00 99.70 0.05 0.02 0.16 99.34 0.43 0.00 0.00 0.00 84 E H H 100.37 2.38 22.42 23.52 91.46 50.62 -63.47 -41.66 0.61 0.00 99.39 0.07 0.04 0.40 99.13 0.36 0.00 0.00 0.00 85 K H H 94.06 4.13 20.34 24.72 91.72 49.88 -64.90 -41.41 1.66 0.00 98.34 0.16 0.10 1.22 97.97 0.54 0.00 0.00 0.00 86 A H H 8.16 19.23 12.64 32.26 91.96 51.27 -64.52 -40.08 4.98 0.01 95.01 0.56 0.38 3.62 94.23 1.20 0.00 0.00 0.00 87 K H H 107.21 8.21 16.61 25.70 91.81 52.61 -65.59 -35.61 15.88 0.05 84.08 2.18 1.48 11.73 82.39 2.15 0.01 0.02 0.03 88 R H H 173.08 1.21 17.70 17.77 93.48 52.19 -70.96 -28.39 36.92 0.14 62.94 5.57 4.62 26.50 60.75 2.39 0.02 0.05 0.10 89 D C H 82.43 6.42 13.77 21.29 99.47 48.34 -90.15 -3.61 58.91 0.38 40.71 15.43 12.60 31.05 37.73 2.77 0.02 0.12 0.28 90 E C C 77.64 11.97 10.43 22.72 115.60 108.20 -89.03 131.93 91.67 0.52 7.82 60.61 27.13 4.11 5.36 2.14 0.00 0.16 0.49 91 P C C 75.02 6.77 11.90 20.30 109.11 -116.38 -67.64 143.61 83.71 0.62 15.66 57.74 9.13 16.61 4.94 10.89 0.00 0.33 0.35 92 K C C 149.51 2.82 12.75 17.20 107.66 -127.18 -85.60 99.08 81.15 2.84 16.01 48.89 11.48 21.16 4.38 11.22 0.00 1.54 1.33 93 W C C 146.21 7.75 9.65 18.56 110.66 151.00 -96.94 108.27 89.86 2.15 7.98 74.39 3.85 12.44 2.61 4.42 0.00 1.27 1.03 94 G C C 51.24 3.41 14.67 19.23 107.21 -23.69 83.62 -2.55 99.90 0.05 0.05 99.46 0.26 0.22 0.03 0.01 0.00 0.03 0.01