# 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 V C C 87.85 7.38 12.78 21.63 115.19 -146.47 -92.21 129.95 99.92 0.06 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.02 0.01 1 T C C 76.65 6.27 11.50 19.50 118.76 -151.35 -97.77 141.13 92.55 0.90 6.55 89.18 1.20 1.77 6.64 0.36 0.00 0.30 0.55 2 D C C 80.65 5.42 13.05 20.03 108.01 -122.20 -85.66 114.77 88.87 0.33 10.80 81.74 3.41 2.28 11.76 0.53 0.00 0.11 0.18 3 Q H H 75.26 9.95 14.15 25.37 93.88 -159.45 -66.36 -31.31 15.80 0.08 84.12 9.83 1.90 3.57 83.84 0.80 0.00 0.03 0.04 4 L H H 47.72 14.49 13.61 28.23 91.92 56.29 -63.89 -40.55 3.84 0.02 96.14 1.60 0.56 1.54 95.75 0.53 0.00 0.00 0.01 5 E H H 102.44 2.87 18.51 21.39 91.84 50.40 -64.88 -40.64 1.38 0.01 98.62 0.56 0.17 0.56 98.30 0.40 0.00 0.00 0.00 6 D H H 72.69 3.37 18.84 22.36 91.86 49.98 -65.31 -40.95 0.70 0.00 99.29 0.23 0.07 0.32 99.16 0.21 0.00 0.00 0.00 7 L H H 19.67 16.67 14.86 32.21 91.90 50.15 -64.46 -42.48 0.45 0.00 99.54 0.11 0.04 0.23 99.53 0.10 0.00 0.00 0.00 8 R H H 88.84 12.71 17.19 29.88 91.44 52.03 -62.08 -42.03 0.36 0.00 99.64 0.07 0.02 0.18 99.66 0.07 0.00 0.00 0.00 9 E H H 107.52 1.84 21.42 21.48 91.70 50.14 -64.24 -41.36 0.51 0.00 99.48 0.07 0.03 0.32 99.41 0.17 0.00 0.00 0.00 10 H H H 91.66 5.00 19.70 25.25 91.84 49.04 -65.65 -40.42 1.15 0.00 98.84 0.10 0.06 0.88 98.49 0.47 0.00 0.00 0.00 11 F H H 16.80 19.50 12.10 31.69 92.62 49.09 -70.09 -33.18 2.69 0.00 97.31 0.18 0.14 2.16 95.02 2.49 0.00 0.00 0.00 12 K H H 106.94 8.42 15.82 25.18 91.17 62.94 -66.42 -25.48 27.61 0.01 72.38 0.47 0.59 27.70 68.45 2.77 0.01 0.00 0.01 13 N C T 127.61 1.00 17.99 17.37 94.33 50.73 -89.76 -4.24 70.26 0.03 29.71 1.17 2.15 67.56 26.27 2.81 0.00 0.01 0.03 14 T C S 36.21 12.32 8.40 21.54 119.72 100.62 -85.54 150.32 98.33 0.24 1.44 23.66 73.36 1.10 1.38 0.15 0.00 0.04 0.30 15 E C T 159.17 0.78 16.48 15.91 91.90 -125.57 -62.08 -34.79 51.04 0.05 48.91 0.86 5.62 45.56 35.81 11.97 0.08 0.02 0.07 16 E C T 109.85 5.32 16.38 22.85 92.31 53.73 -68.74 -31.03 52.91 0.02 47.06 0.42 2.20 52.12 34.14 11.04 0.04 0.01 0.04 17 G H H 4.98 20.25 10.69 30.82 96.66 43.40 -87.36 -17.38 43.00 0.03 56.97 1.23 1.65 40.15 46.10 10.80 0.02 0.01 0.04 18 K H H 103.49 6.07 17.69 25.21 91.79 79.76 -59.81 -41.78 1.27 0.00 98.73 0.29 0.14 0.57 98.61 0.38 0.00 0.00 0.00 19 A H H 60.46 2.47 21.95 23.34 91.45 50.75 -64.15 -40.14 0.46 0.00 99.54 0.06 0.02 0.27 99.31 0.34 0.00 0.00 0.00 20 L H H 28.53 14.97 17.51 32.98 92.05 50.08 -65.81 -41.31 0.21 0.00 99.79 0.03 0.01 0.12 99.58 0.27 0.00 0.00 0.00 21 V H H 36.24 13.75 18.25 32.44 91.60 51.15 -63.00 -42.35 0.08 0.00 99.92 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 22 H H H 108.02 2.12 23.92 24.22 91.57 49.88 -63.56 -42.07 0.12 0.00 99.88 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 23 H H H 70.49 8.09 20.94 29.77 91.85 50.04 -64.36 -42.05 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 24 Y H H 30.19 18.60 16.67 35.28 91.88 50.36 -63.79 -42.13 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 25 E H H 99.39 4.61 22.71 27.53 91.48 50.51 -63.66 -40.93 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 26 E H H 95.79 2.75 22.93 24.62 91.49 49.65 -64.31 -41.78 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 C H H 15.74 14.60 17.31 33.07 91.76 49.80 -64.31 -42.22 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 28 A H H 26.85 11.18 18.48 30.89 91.43 50.88 -63.25 -41.93 0.31 0.00 99.69 0.02 0.01 0.21 99.71 0.06 0.00 0.00 0.00 29 E H H 106.58 1.86 23.33 23.13 91.45 50.33 -63.74 -41.61 0.89 0.00 99.11 0.06 0.04 0.64 99.09 0.17 0.00 0.00 0.00 30 R H H 97.44 6.39 20.06 27.07 91.96 49.66 -65.46 -40.92 2.63 0.00 97.37 0.23 0.16 2.00 97.18 0.42 0.00 0.00 0.00 31 V H H 20.78 15.68 14.46 30.91 92.29 49.78 -65.70 -40.97 5.53 0.03 94.44 0.93 0.60 3.75 93.96 0.72 0.01 0.01 0.01 32 K H H 108.69 3.72 19.50 23.47 92.05 51.42 -64.49 -40.90 11.60 0.16 88.25 3.84 1.80 6.30 86.05 1.84 0.03 0.07 0.07 33 I H H 93.54 2.17 18.46 19.81 92.49 50.06 -66.27 -39.51 14.02 0.18 85.80 4.66 2.13 7.74 79.05 6.21 0.04 0.09 0.08 34 Q H H 52.45 10.94 12.27 24.43 92.48 53.11 -67.32 -31.95 14.63 0.17 85.20 4.47 2.06 8.01 75.04 10.21 0.03 0.09 0.07 35 Q H H 100.24 7.04 13.03 21.34 92.78 59.70 -69.12 -25.33 26.66 0.27 73.07 6.02 3.48 17.35 63.69 9.12 0.05 0.13 0.15 36 Q C H 140.49 1.11 14.70 14.95 94.96 56.35 -82.69 -10.87 51.98 0.48 47.54 10.70 9.55 33.02 39.23 6.86 0.07 0.17 0.39 37 Q C C 86.80 6.01 8.62 16.70 113.31 94.85 -88.28 128.85 98.70 0.32 0.98 50.77 46.42 1.42 0.72 0.25 0.00 0.07 0.34 38 P C T 110.86 1.59 12.60 14.84 109.71 -114.09 -63.73 138.38 90.68 0.17 9.15 8.56 7.77 74.53 2.23 6.68 0.00 0.08 0.15 39 G C T 52.43 2.44 12.94 16.27 97.22 20.63 82.17 -3.05 89.02 0.25 10.72 8.48 7.68 73.07 2.94 7.52 0.00 0.12 0.20 40 Y C C 85.14 10.48 8.34 19.54 98.00 112.27 -72.05 -24.38 62.85 1.38 35.77 30.50 13.29 19.29 8.32 26.98 0.01 0.56 1.05 41 A C T 79.95 2.46 12.60 16.30 92.84 67.74 -66.04 -29.02 62.88 0.45 36.67 10.60 10.17 41.59 8.29 28.75 0.01 0.21 0.37 42 D C T 108.93 1.80 13.12 15.25 97.76 49.80 -89.33 2.75 64.38 0.49 35.13 14.34 10.73 39.40 7.67 27.23 0.01 0.22 0.40 43 L C C 73.19 10.74 7.97 18.97 108.04 107.51 -78.54 108.21 70.38 0.89 28.73 36.83 17.67 15.73 9.25 19.37 0.00 0.33 0.81 44 E C C 152.04 1.45 14.38 15.64 97.87 -143.94 -78.65 -16.24 74.60 0.92 24.48 38.71 17.48 18.27 7.37 17.05 0.00 0.38 0.73 45 H C C 106.43 6.42 12.17 19.96 113.97 51.82 -105.05 113.54 80.32 1.20 18.48 55.11 12.85 12.03 5.48 13.19 0.00 0.54 0.80 46 K C C 118.62 6.59 14.68 22.93 118.66 -166.51 -99.60 138.16 90.27 1.81 7.92 77.64 8.33 4.62 3.56 3.95 0.00 0.87 1.04 47 E C C 60.36 14.57 12.65 27.43 117.35 -128.66 -88.71 139.62 93.15 3.45 3.40 84.50 7.14 1.59 2.29 1.01 0.00 1.46 2.02 48 D C C 64.04 6.86 21.02 28.23 121.34 -151.08 -102.52 153.74 92.11 4.60 3.30 88.46 2.83 0.94 2.99 0.40 0.00 1.48 2.90 49 C H H 34.22 17.15 14.88 31.89 92.70 -117.97 -62.37 -35.19 14.56 0.28 85.16 6.05 3.30 5.04 84.52 0.81 0.01 0.10 0.17 50 V H H 71.26 6.66 20.17 27.38 91.72 54.94 -63.88 -41.43 1.69 0.01 98.30 0.36 0.19 0.92 98.22 0.31 0.00 0.00 0.00 51 E H H 79.61 5.58 21.24 27.36 91.82 50.03 -64.73 -41.22 0.44 0.00 99.56 0.09 0.04 0.22 99.35 0.31 0.00 0.00 0.00 52 E H H 24.67 17.09 17.17 34.60 91.71 50.62 -63.58 -42.35 0.31 0.00 99.69 0.05 0.02 0.17 99.53 0.23 0.00 0.00 0.00 53 F H H 57.60 13.73 19.28 33.11 91.76 50.61 -63.48 -41.58 0.30 0.00 99.70 0.03 0.01 0.20 99.66 0.11 0.00 0.00 0.00 54 F H H 103.69 3.89 22.72 26.43 91.47 50.51 -63.68 -42.28 0.20 0.00 99.80 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 55 H H H 67.77 9.35 20.94 30.90 91.78 49.68 -64.59 -41.73 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 56 L H H 21.78 19.01 17.87 36.75 91.85 50.38 -64.44 -41.63 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 57 Q H H 72.00 9.17 21.07 30.58 91.50 51.15 -63.23 -41.12 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 58 H H H 91.71 3.79 22.45 25.98 91.64 49.97 -64.41 -41.77 0.21 0.00 99.79 0.01 0.01 0.17 99.74 0.07 0.00 0.00 0.00 59 Y H H 39.62 13.77 18.00 32.67 92.07 49.38 -64.50 -42.48 0.37 0.00 99.62 0.03 0.02 0.29 99.53 0.14 0.00 0.00 0.00 60 L H H 34.61 16.41 16.41 32.76 92.30 48.63 -65.60 -40.74 0.79 0.00 99.21 0.06 0.05 0.61 99.08 0.21 0.00 0.00 0.00 61 D H H 87.03 4.40 19.81 24.54 96.15 41.35 -77.90 -36.70 3.27 0.00 96.72 0.13 0.17 2.88 96.49 0.33 0.01 0.00 0.00 62 T H H 84.12 3.06 19.75 22.68 102.13 32.31 -95.82 -33.79 16.37 0.01 83.62 0.21 0.62 16.16 82.35 0.63 0.02 0.00 0.01 63 A C T 39.52 10.09 17.21 28.16 104.19 26.84 -99.97 -35.03 67.88 0.06 32.06 0.63 2.55 62.99 32.76 0.99 0.02 0.01 0.05 64 T H H 28.08 13.90 16.99 31.47 96.53 44.53 -80.88 -30.11 31.13 0.06 68.81 1.37 1.98 27.02 67.66 1.87 0.04 0.02 0.05 65 A H H 31.76 11.07 16.10 28.49 92.02 66.63 -59.32 -43.91 2.59 0.01 97.40 0.53 0.26 1.50 95.38 2.32 0.00 0.00 0.00 66 P H H 68.37 3.68 19.66 23.64 91.67 50.51 -64.15 -39.67 1.35 0.00 98.64 0.20 0.10 0.88 95.81 3.01 0.00 0.00 0.00 67 R H H 113.87 4.67 19.14 24.25 92.33 49.91 -66.32 -40.41 0.68 0.00 99.31 0.11 0.05 0.43 96.76 2.65 0.00 0.00 0.00 68 L H H 42.61 11.48 14.61 27.36 92.28 50.54 -64.72 -41.66 0.95 0.00 99.05 0.19 0.09 0.57 97.84 1.31 0.00 0.00 0.00 69 F H H 94.34 6.39 14.52 22.19 92.11 51.45 -64.64 -39.93 1.87 0.00 98.12 0.28 0.15 1.26 96.11 2.18 0.00 0.00 0.00 70 D H H 99.71 1.57 15.11 16.39 92.59 51.34 -66.31 -36.76 4.86 0.01 95.13 0.40 0.27 3.96 90.99 4.37 0.00 0.00 0.00 71 K H H 124.67 3.66 12.78 17.66 92.99 52.49 -69.39 -31.00 14.23 0.02 85.75 0.87 0.69 12.50 82.18 3.73 0.01 0.01 0.01 72 L H H 79.13 9.01 8.97 18.72 96.67 53.14 -84.15 -10.62 39.15 0.16 60.70 13.51 1.34 23.88 58.58 2.50 0.00 0.05 0.14 73 K C C 144.99 3.28 13.19 18.19 102.64 117.53 -69.62 50.26 99.96 0.02 0.02 99.84 0.06 0.07 0.01 0.00 0.00 0.01 0.00