# 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 T C C 79.71 5.17 14.66 20.79 110.25 -154.13 -87.13 128.17 99.78 0.06 0.16 99.66 0.09 0.09 0.11 0.01 0.00 0.02 0.01 1 L C C 96.78 7.09 10.68 18.72 100.21 76.63 -73.49 -16.48 57.28 1.21 41.51 50.51 1.44 5.67 38.96 2.32 0.00 0.59 0.51 2 R H H 149.49 3.45 12.16 16.96 98.77 67.60 -73.69 -29.35 47.55 2.13 50.31 32.86 7.03 8.22 46.73 3.29 0.01 1.14 0.71 3 T H H 79.33 3.87 13.75 18.56 98.65 55.61 -73.07 -35.44 40.62 2.08 57.29 29.56 5.75 6.59 52.88 3.42 0.01 1.14 0.65 4 S H H 49.87 7.43 14.16 22.63 95.87 56.92 -68.47 -37.73 24.20 0.76 75.04 16.38 3.96 5.28 71.28 2.47 0.01 0.37 0.26 5 G H H 27.32 8.85 13.95 23.96 93.45 54.93 -63.82 -40.32 12.10 0.27 87.63 6.50 2.31 4.23 84.58 2.15 0.01 0.14 0.09 6 E H H 115.85 2.77 17.45 20.51 92.73 52.46 -66.28 -39.14 5.98 0.20 93.82 3.14 1.00 2.40 91.15 2.11 0.01 0.13 0.05 7 L H H 78.22 5.99 17.12 23.88 92.58 51.12 -65.52 -40.96 4.08 0.19 95.73 2.05 0.65 1.77 93.34 2.01 0.01 0.13 0.04 8 L H H 52.39 12.73 15.59 28.82 92.22 51.13 -65.29 -40.05 3.87 0.14 95.99 1.74 0.57 1.82 94.03 1.70 0.01 0.09 0.03 9 Q H H 89.95 6.04 18.20 24.95 92.25 51.34 -65.02 -39.64 4.51 0.10 95.40 1.40 0.58 2.63 93.98 1.31 0.01 0.06 0.03 10 G H H 33.08 3.80 18.78 23.07 92.03 51.58 -64.25 -40.78 6.97 0.12 92.90 1.92 0.90 4.27 91.48 1.29 0.03 0.06 0.04 11 I H H 51.50 11.02 16.73 28.67 92.68 49.84 -66.29 -40.51 5.41 0.21 94.37 2.28 0.87 2.62 92.39 1.64 0.02 0.13 0.05 12 V H H 43.09 13.79 14.89 29.04 92.69 52.58 -65.50 -38.79 5.30 0.33 94.37 2.32 0.76 2.45 91.93 2.22 0.02 0.24 0.06 13 R H H 151.79 2.93 18.89 22.16 92.65 53.21 -67.14 -34.63 8.62 0.40 90.98 2.82 1.15 4.90 87.71 3.01 0.04 0.29 0.09 14 V H H 82.23 5.16 18.02 23.64 96.38 48.20 -76.64 -34.88 12.52 0.44 87.04 3.02 1.84 7.90 84.60 2.19 0.06 0.27 0.13 15 Y H H 68.75 14.83 14.15 28.76 103.60 41.30 -96.66 2.21 31.48 1.11 67.42 12.58 6.19 13.71 64.51 1.94 0.06 0.49 0.53 16 S H H 40.90 10.44 15.40 26.58 107.38 95.44 -73.94 -43.72 34.24 0.79 64.97 25.24 3.48 4.90 64.58 1.19 0.00 0.32 0.29 17 K H H 142.66 2.13 19.44 21.43 92.83 -31.12 -64.58 -38.54 6.93 0.05 93.02 1.85 1.13 3.80 92.29 0.88 0.01 0.02 0.02 18 Q H H 89.24 6.56 20.16 27.17 92.24 50.38 -65.83 -39.78 3.63 0.03 96.34 1.05 0.46 2.02 95.73 0.71 0.00 0.01 0.01 19 A H H 8.21 20.09 15.14 35.72 91.91 51.04 -64.47 -42.23 1.40 0.01 98.59 0.52 0.15 0.61 98.39 0.32 0.00 0.00 0.00 20 T H H 55.64 9.86 20.93 31.08 91.63 51.74 -63.14 -41.62 0.44 0.00 99.56 0.12 0.03 0.20 99.53 0.11 0.00 0.00 0.00 21 F H H 109.18 2.97 24.06 26.18 91.69 50.62 -63.88 -42.24 0.23 0.00 99.77 0.04 0.01 0.12 99.75 0.06 0.00 0.00 0.00 22 L H H 25.57 15.19 20.39 36.10 91.81 49.79 -63.62 -43.17 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 23 L H H 18.70 19.64 19.01 38.54 91.67 50.28 -63.54 -41.88 0.17 0.00 99.83 0.02 0.01 0.11 99.81 0.04 0.00 0.00 0.00 24 T H H 64.72 4.34 23.44 27.75 91.43 50.74 -63.71 -41.72 0.39 0.00 99.60 0.06 0.02 0.27 99.59 0.07 0.00 0.00 0.00 25 D H H 64.35 5.90 22.55 28.75 91.82 49.07 -65.15 -41.23 0.89 0.00 99.10 0.13 0.06 0.63 99.04 0.14 0.00 0.00 0.00 26 I H H 12.75 20.90 16.88 38.00 92.02 50.05 -63.94 -42.82 1.15 0.01 98.84 0.22 0.09 0.75 98.60 0.33 0.00 0.00 0.00 27 K H H 85.85 11.75 19.58 31.21 91.40 51.82 -62.74 -40.62 2.14 0.01 97.85 0.38 0.17 1.44 97.29 0.70 0.00 0.01 0.00 28 D H H 87.10 1.98 22.12 22.47 91.93 50.35 -65.56 -39.59 6.29 0.03 93.69 0.72 0.51 4.82 92.38 1.53 0.01 0.01 0.01 29 T H H 35.76 10.03 16.81 28.32 92.35 50.43 -66.94 -37.93 12.41 0.08 87.50 1.63 1.22 9.26 85.38 2.40 0.03 0.04 0.04 30 L H H 30.14 18.06 12.28 30.00 92.78 53.86 -69.73 -30.35 25.17 1.02 73.82 9.12 3.80 13.17 68.08 4.75 0.09 0.58 0.41 31 T H H 88.60 4.01 16.25 21.15 93.28 58.20 -71.04 -26.44 44.77 1.65 53.58 15.07 6.04 23.71 49.19 4.35 0.09 0.96 0.59 32 K C H 147.90 1.65 16.25 17.51 97.19 52.17 -84.09 -12.80 59.77 1.95 38.27 21.66 7.62 29.55 35.47 3.89 0.04 1.12 0.66 33 I C C 62.71 12.95 9.05 21.84 110.96 78.25 -93.83 105.56 80.50 2.35 17.15 54.66 13.10 10.72 17.01 2.29 0.00 1.28 0.93 34 S C C 87.03 2.53 16.20 19.26 103.69 -148.45 -82.45 31.99 88.65 1.79 9.56 54.89 18.02 15.34 7.48 2.54 0.00 1.27 0.46 35 M C C 92.16 8.46 14.72 24.06 117.12 66.72 -105.91 134.76 78.30 10.09 11.61 38.77 29.75 10.00 7.91 3.82 0.03 8.36 1.36 36 L C C 78.73 10.15 18.19 28.57 115.85 -111.04 -89.75 129.05 49.37 39.49 11.13 38.62 6.83 3.35 8.07 3.29 0.02 37.65 2.16 37 V E E 19.93 19.67 14.81 34.58 118.81 -151.42 -106.89 129.96 29.15 62.57 8.28 23.91 3.25 1.51 7.08 2.03 0.03 54.87 7.31 38 I E E 55.79 8.95 23.99 33.44 121.62 -164.84 -110.66 142.53 43.40 49.93 6.67 39.47 2.30 1.00 5.96 1.13 0.00 47.29 2.85 39 F H H 24.64 22.47 15.09 37.00 93.61 -128.59 -62.37 -38.23 24.27 4.02 71.71 12.22 5.16 8.71 57.08 12.43 0.17 3.54 0.69 40 T H H 64.36 9.92 18.64 28.97 91.89 56.83 -63.43 -35.06 13.60 0.38 86.02 3.01 2.00 8.05 67.17 19.31 0.07 0.28 0.10 41 D H H 83.87 4.05 20.92 25.08 92.58 51.56 -69.65 -33.06 10.48 0.19 89.33 1.44 1.26 6.91 68.99 21.14 0.06 0.13 0.06 42 V H H 24.81 17.50 15.34 32.61 95.88 48.91 -78.68 -30.05 16.10 0.16 83.74 1.28 1.75 12.01 68.17 16.50 0.12 0.09 0.08 43 L C H 24.82 18.57 12.10 30.47 98.38 50.20 -94.94 5.32 52.46 1.15 46.39 9.48 7.57 34.70 34.88 11.77 0.17 0.51 0.92 44 K C T 132.21 4.61 15.09 21.62 97.24 111.71 -67.58 -26.42 94.91 0.57 4.53 5.84 5.33 83.80 3.28 1.15 0.00 0.25 0.35 45 S C T 101.61 0.63 16.38 14.99 96.48 27.65 -86.65 15.26 98.79 0.12 1.08 4.42 8.95 85.60 0.33 0.59 0.00 0.07 0.04 46 I C S 42.58 15.53 7.34 22.11 123.15 112.39 -94.51 149.08 99.58 0.34 0.08 43.22 56.19 0.23 0.04 0.03 0.00 0.09 0.21 47 T C C 78.92 1.92 19.39 19.77 117.73 -106.83 -71.78 159.18 97.72 2.11 0.17 97.10 0.65 0.05 0.12 0.01 0.00 0.33 1.73 48 K H H 117.54 9.64 13.07 23.72 91.62 -106.74 -57.25 -39.93 1.28 0.00 98.72 0.18 0.16 0.78 98.55 0.33 0.00 0.00 0.00 49 R H H 139.01 4.51 18.51 23.56 91.66 52.10 -64.04 -40.92 0.63 0.00 99.37 0.07 0.04 0.41 99.14 0.33 0.00 0.00 0.00 50 E H H 83.88 6.32 20.63 27.53 91.85 48.08 -66.00 -40.03 0.21 0.00 99.79 0.03 0.01 0.12 99.57 0.27 0.00 0.00 0.00 51 A H H 10.50 17.35 16.70 34.74 91.70 50.89 -63.02 -42.96 0.22 0.00 99.78 0.03 0.01 0.12 99.73 0.11 0.00 0.00 0.00 52 S H H 23.73 13.99 21.25 35.57 91.35 50.46 -63.51 -41.95 0.52 0.00 99.48 0.05 0.02 0.35 99.49 0.09 0.00 0.00 0.00 53 R H H 107.37 6.90 25.74 32.97 91.54 50.84 -63.89 -41.60 0.33 0.00 99.67 0.02 0.01 0.26 99.64 0.07 0.00 0.00 0.00 54 G H H 8.85 15.82 22.12 38.33 91.68 50.63 -63.78 -42.61 0.32 0.00 99.68 0.03 0.01 0.23 99.62 0.11 0.00 0.00 0.00 55 F H H 20.68 21.49 23.00 43.41 91.57 50.66 -64.06 -42.28 0.15 0.00 99.85 0.01 0.00 0.10 99.79 0.09 0.00 0.00 0.00 56 F H H 59.32 13.94 24.79 38.25 91.35 50.75 -63.55 -42.29 0.11 0.00 99.89 0.01 0.00 0.08 99.83 0.08 0.00 0.00 0.00 57 D H H 53.57 11.16 25.22 36.44 91.66 50.88 -64.20 -40.78 0.34 0.00 99.66 0.02 0.01 0.26 99.47 0.24 0.00 0.00 0.00 58 I H H 14.09 21.50 21.54 42.42 91.65 49.87 -65.43 -41.21 1.23 0.00 98.77 0.05 0.04 1.06 98.19 0.66 0.00 0.00 0.00 59 L H H 29.06 18.91 22.76 40.74 92.14 50.77 -67.30 -35.05 7.32 0.02 92.66 0.34 0.37 6.48 91.84 0.95 0.01 0.01 0.01 60 S H H 37.80 10.00 23.19 33.73 94.75 50.33 -77.66 -23.69 32.50 0.49 67.01 3.81 3.30 25.08 64.80 2.44 0.11 0.21 0.26 61 L H H 27.03 17.15 17.94 35.08 93.78 74.97 -64.79 -36.30 36.88 4.72 58.40 16.88 9.46 13.30 45.73 9.90 0.31 2.68 1.75 62 A H H 34.23 14.12 17.07 31.09 94.55 56.80 -68.10 -32.57 35.97 6.90 57.13 19.95 5.61 11.28 42.15 14.18 0.11 5.21 1.52 63 T H H 78.42 7.33 17.78 25.67 96.78 58.33 -76.86 -23.69 34.71 12.69 52.61 13.62 7.36 15.42 35.18 15.18 1.03 8.97 3.24 64 E C T 113.33 6.16 16.57 23.56 99.46 51.63 -84.05 14.60 64.53 3.62 31.85 6.27 11.49 45.39 19.46 12.87 0.42 2.15 1.96 65 G C T 48.06 6.02 16.28 23.30 99.33 -88.25 76.95 9.92 90.26 1.03 8.71 8.34 14.85 67.21 4.78 3.77 0.00 0.59 0.45 66 C C S 46.99 12.92 15.04 28.13 99.18 117.87 -83.53 -20.28 87.21 5.55 7.24 17.35 38.86 31.67 2.83 4.06 0.02 3.49 1.73 67 I C S 50.63 16.53 14.31 29.91 108.31 48.86 -100.78 41.55 63.64 29.36 6.99 20.00 28.36 17.13 3.13 3.67 0.23 19.02 8.47 68 G C C 41.91 6.54 19.92 26.81 103.80 -129.56 73.91 27.92 71.59 23.80 4.62 48.07 15.59 7.85 1.99 2.77 0.02 18.98 4.74 69 L C C 58.81 16.53 13.05 28.68 112.69 143.66 -93.83 116.89 74.71 18.60 6.69 50.09 16.52 8.20 2.79 4.06 0.02 14.00 4.31 70 S C C 68.47 5.49 18.56 24.97 115.03 -148.60 -98.49 127.96 77.35 15.86 6.79 52.81 15.79 8.52 2.70 4.23 0.01 12.32 3.63 71 Q C C 81.64 13.03 12.80 25.71 112.62 -136.62 -92.54 127.85 82.05 11.61 6.35 66.26 10.80 4.39 3.29 3.21 0.00 8.23 3.82 72 T C C 62.75 9.46 12.71 23.14 113.61 -136.57 -84.42 144.37 81.19 5.54 13.27 61.29 11.48 8.20 5.79 7.59 0.00 3.52 2.12 73 E C T 140.98 2.86 14.60 18.43 102.06 -112.69 -72.23 8.13 65.16 2.18 32.66 21.23 16.77 28.72 6.55 24.57 0.02 1.15 0.98 74 A C T 73.19 4.83 14.15 20.05 103.00 45.37 -80.24 14.22 66.52 1.86 31.62 17.78 15.02 34.76 5.49 25.04 0.02 1.02 0.85 75 F C C 79.30 13.91 10.96 24.40 106.00 65.65 -95.22 29.24 65.56 4.70 29.74 30.53 13.38 22.66 4.46 24.72 0.01 2.76 1.47 76 G C C 36.64 6.28 16.93 24.15 115.76 -141.91 71.76 -150.45 83.62 8.34 8.03 31.28 27.81 25.31 1.17 6.94 0.01 6.11 1.38 77 N C C 100.80 5.23 18.54 24.43 110.55 -9.71 -93.03 116.54 68.01 26.67 5.33 32.56 18.06 18.31 0.57 4.96 0.00 24.46 1.08 78 I E E 30.34 20.60 10.90 30.70 120.04 -166.38 -107.85 130.24 31.16 68.60 0.24 27.98 2.69 0.34 0.07 0.16 0.00 67.66 1.10 79 K E E 120.23 4.03 22.67 27.23 119.10 -159.63 -110.49 130.58 12.23 87.64 0.13 11.60 0.57 0.12 0.06 0.06 0.00 86.32 1.28 80 I E E 43.26 20.24 10.72 29.76 120.69 -162.87 -113.83 129.49 18.92 80.94 0.15 18.07 0.73 0.14 0.07 0.08 0.00 79.39 1.53 81 D C C 93.19 3.35 18.11 22.34 124.63 -173.20 -119.03 147.49 51.93 47.96 0.11 50.95 0.46 0.17 0.03 0.05 0.00 47.36 0.98 82 A C C 66.49 8.86 13.73 23.48 113.21 -105.03 -74.49 140.98 99.56 0.43 0.00 99.52 0.09 0.02 0.00 0.00 0.00 0.35 0.01