# 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 99.94 8.93 11.11 20.91 115.39 -137.03 -85.93 135.41 99.96 0.03 0.01 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 L C C 113.10 3.93 10.09 15.99 116.39 -141.04 -93.93 134.33 92.09 5.90 2.01 90.27 1.06 1.48 0.95 0.57 0.00 2.88 2.80 2 K C C 143.85 3.32 9.41 14.81 114.74 -139.73 -92.32 131.15 89.42 6.16 4.42 74.40 9.84 4.88 1.90 2.55 0.00 3.53 2.91 3 R C C 143.81 5.25 8.68 15.73 114.66 -147.15 -96.23 129.61 87.58 3.23 9.19 72.47 9.32 5.68 3.52 5.74 0.00 1.85 1.42 4 S C C 72.88 4.76 9.39 15.94 112.84 -153.00 -92.96 131.12 82.85 1.67 15.48 57.69 10.76 13.77 4.43 11.66 0.00 0.94 0.76 5 K C C 155.82 2.21 11.69 15.03 103.88 -150.67 -90.40 18.03 81.12 1.18 17.70 45.53 16.51 18.90 5.36 12.44 0.00 0.55 0.72 6 F C C 107.44 7.79 9.00 18.14 114.73 100.31 -95.45 128.28 81.94 1.08 16.98 47.52 21.20 13.45 6.35 10.28 0.00 0.47 0.73 7 E C C 141.06 2.47 14.58 17.82 107.69 -133.60 -85.22 112.76 85.42 1.17 13.41 61.73 13.40 10.22 7.37 5.99 0.00 0.55 0.74 8 T C C 49.76 13.51 8.94 22.27 118.30 155.82 -98.67 134.04 87.43 1.30 11.27 70.22 12.17 5.01 8.20 3.01 0.00 0.53 0.86 9 T C C 76.33 3.24 17.09 20.49 118.85 -141.24 -89.83 151.68 86.97 1.02 12.01 80.60 3.90 2.37 10.90 1.26 0.00 0.36 0.60 10 Q H H 98.79 9.48 12.35 22.62 93.08 -118.54 -59.96 -37.04 4.15 0.01 95.84 1.61 0.67 1.70 95.29 0.73 0.00 0.00 0.01 11 S H H 71.00 2.18 16.86 18.85 92.06 54.26 -65.39 -38.67 1.94 0.00 98.06 0.44 0.19 1.10 97.63 0.63 0.00 0.00 0.00 12 Q H H 75.15 5.86 16.63 23.71 92.13 50.81 -65.83 -40.03 0.71 0.00 99.28 0.21 0.07 0.37 98.81 0.53 0.00 0.00 0.00 13 I H H 27.61 16.41 14.36 31.21 92.07 50.96 -64.37 -42.75 0.27 0.00 99.72 0.08 0.02 0.13 99.64 0.13 0.00 0.00 0.00 14 M H H 72.25 8.28 18.62 27.70 91.62 50.56 -63.61 -41.39 0.18 0.00 99.82 0.04 0.01 0.09 99.81 0.05 0.00 0.00 0.00 15 H H H 109.52 2.15 22.16 22.93 91.83 49.78 -64.21 -42.07 0.19 0.00 99.81 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 16 R H H 77.81 9.74 20.05 30.44 91.78 49.38 -64.93 -41.03 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 17 A H H 13.41 18.23 16.08 34.77 91.40 51.29 -63.36 -41.93 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 18 E H H 95.13 5.33 21.38 27.05 91.66 50.80 -63.97 -41.35 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 19 D H H 80.51 2.73 22.20 24.05 91.87 50.14 -64.84 -41.86 0.30 0.00 99.70 0.03 0.02 0.21 99.67 0.07 0.00 0.00 0.00 20 L H H 30.77 14.48 16.85 32.02 92.27 49.65 -64.82 -42.11 0.51 0.00 99.49 0.04 0.03 0.37 99.31 0.25 0.00 0.00 0.00 21 I H H 44.77 14.75 15.17 30.16 91.91 51.03 -64.62 -37.53 1.49 0.00 98.51 0.09 0.08 1.22 97.22 1.39 0.00 0.00 0.00 22 S H H 87.71 1.45 19.63 20.29 91.39 55.25 -69.13 -23.40 14.39 0.00 85.60 0.24 0.33 14.39 83.46 1.57 0.00 0.00 0.00 23 A H H 67.05 4.67 16.17 21.84 94.79 53.86 -86.53 -11.35 42.24 0.02 57.74 0.86 1.72 39.17 56.42 1.79 0.01 0.01 0.02 24 A C C 23.85 17.03 7.58 23.55 122.32 89.53 -93.21 148.87 92.41 0.81 6.79 60.97 25.99 5.25 5.01 1.74 0.00 0.21 0.83 25 S C S 99.93 0.67 16.45 15.47 94.54 -141.12 -75.47 -23.23 96.39 0.35 3.26 12.23 58.38 26.21 1.55 1.25 0.00 0.14 0.25 26 N C C 75.53 5.40 14.46 21.37 114.70 39.46 -122.50 101.68 95.07 0.57 4.36 50.33 23.26 21.47 2.80 1.48 0.00 0.20 0.45 27 R H H 106.78 12.66 12.29 25.31 93.95 -167.55 -64.72 -35.49 6.97 0.03 93.00 3.09 1.53 2.38 92.32 0.65 0.00 0.01 0.02 28 Y H H 150.51 3.02 17.88 21.34 91.75 55.52 -63.44 -40.90 2.46 0.01 97.53 0.56 0.31 1.31 97.40 0.40 0.00 0.00 0.00 29 R H H 122.87 3.44 20.50 23.92 91.94 48.54 -65.40 -41.05 0.67 0.00 99.33 0.20 0.08 0.32 99.11 0.27 0.00 0.00 0.00 30 I H H 17.80 17.38 15.71 33.60 91.84 49.32 -63.86 -43.36 0.20 0.00 99.80 0.06 0.02 0.09 99.77 0.07 0.00 0.00 0.00 31 T H H 33.51 13.84 18.86 33.05 91.49 49.73 -63.43 -42.68 0.10 0.00 99.90 0.02 0.01 0.05 99.90 0.02 0.00 0.00 0.00 32 V H H 78.34 3.24 23.89 26.32 91.52 48.90 -64.13 -42.68 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 Q H H 67.68 7.50 23.03 31.04 91.84 48.88 -64.55 -42.42 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 V H H 12.13 19.59 18.62 38.26 91.89 48.82 -64.27 -42.92 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 35 A H H 31.79 10.93 20.94 32.60 91.32 50.65 -62.82 -42.16 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.01 0.00 0.00 0.00 36 N H H 86.21 2.60 25.08 26.40 91.69 49.23 -64.66 -41.89 0.39 0.00 99.61 0.03 0.01 0.26 99.67 0.03 0.00 0.00 0.00 37 R H H 68.80 9.34 21.56 31.66 92.11 49.08 -64.92 -41.55 0.57 0.00 99.43 0.06 0.03 0.35 99.49 0.07 0.00 0.00 0.00 38 A H H 10.14 17.05 15.92 33.88 91.52 51.42 -63.20 -42.05 1.14 0.00 98.85 0.18 0.08 0.67 98.84 0.22 0.00 0.00 0.00 39 K H H 100.88 5.00 20.76 26.17 91.67 50.73 -64.08 -40.66 3.39 0.01 96.60 0.48 0.25 2.37 96.15 0.75 0.00 0.00 0.00 40 R H H 129.98 2.53 20.40 22.29 92.11 50.27 -65.41 -40.52 6.50 0.03 93.47 1.04 0.67 4.53 92.27 1.46 0.01 0.01 0.01 41 R H H 85.74 9.06 16.15 26.23 93.50 48.87 -67.86 -39.13 12.71 0.12 87.17 3.46 1.80 7.79 84.40 2.41 0.02 0.05 0.07 42 R H H 97.24 9.28 14.94 25.03 93.79 52.37 -66.67 -37.65 22.31 0.16 77.53 6.16 3.02 13.64 74.01 2.98 0.03 0.06 0.11 43 Y H H 133.38 3.10 15.47 19.05 93.76 51.97 -70.62 -36.09 33.01 0.23 66.76 11.95 5.69 16.19 59.41 6.48 0.03 0.09 0.15 44 E H H 108.91 3.29 14.78 18.79 94.91 53.74 -68.43 -35.74 39.31 0.25 60.43 12.68 6.11 20.28 47.51 13.11 0.03 0.11 0.17 45 E H H 96.75 6.06 12.90 20.33 95.53 52.69 -74.07 -25.45 47.93 0.30 51.78 20.34 6.40 21.49 37.78 13.63 0.01 0.12 0.22 46 F C C 103.99 7.16 11.07 19.58 98.56 58.20 -78.75 -17.88 55.27 0.49 44.24 32.07 9.81 13.68 31.57 12.32 0.01 0.19 0.36 47 E C C 128.49 2.87 12.66 16.69 98.09 77.20 -74.68 -19.55 67.76 0.56 31.68 40.82 10.53 16.25 22.32 9.41 0.00 0.23 0.44 48 S C C 71.30 3.83 11.48 16.66 103.21 62.00 -89.73 33.65 74.90 0.63 24.46 48.08 10.88 16.17 14.58 9.50 0.00 0.27 0.51 49 A C C 66.85 5.99 9.35 16.84 102.16 92.21 -78.13 0.43 75.94 0.62 23.44 39.87 13.27 23.18 11.67 11.20 0.00 0.26 0.53 50 E C C 140.86 2.44 11.07 14.88 103.29 81.72 -84.68 9.01 79.43 0.72 19.85 36.40 19.21 24.09 9.35 10.03 0.00 0.26 0.65 51 D C C 73.80 5.25 10.20 17.34 110.49 106.63 -92.31 111.73 87.62 0.58 11.81 66.39 14.49 6.68 6.09 5.57 0.00 0.21 0.57 52 A C T 81.17 3.55 10.97 16.44 95.37 -155.83 -66.31 -22.62 60.57 0.29 39.14 9.78 10.04 39.38 9.18 31.24 0.01 0.12 0.26 53 M C T 136.61 1.95 13.44 15.98 95.15 61.75 -75.64 -20.47 62.50 0.27 37.23 6.22 9.13 45.92 9.10 29.24 0.01 0.12 0.26 54 M C T 73.62 10.04 11.27 22.33 104.01 49.07 -95.72 28.64 60.09 0.80 39.12 16.74 12.77 30.73 11.95 26.85 0.02 0.36 0.59 55 K C C 83.52 7.67 15.98 24.86 112.43 111.73 -76.14 136.61 59.81 0.24 39.95 44.55 11.42 1.88 41.22 0.75 0.00 0.05 0.13 56 P H H 57.84 9.58 17.46 28.02 92.82 -106.54 -60.88 -37.05 2.53 0.00 97.47 0.95 0.32 1.03 97.36 0.33 0.00 0.00 0.00 57 V H H 46.17 13.25 18.48 31.72 92.47 51.42 -64.67 -41.09 0.75 0.00 99.25 0.20 0.07 0.37 99.13 0.23 0.00 0.00 0.00 58 L H H 55.62 10.10 20.15 30.72 92.13 49.57 -65.14 -41.54 0.24 0.00 99.76 0.07 0.02 0.10 99.69 0.12 0.00 0.00 0.00 59 R H H 97.37 7.47 22.12 30.21 91.78 50.57 -64.43 -41.64 0.11 0.00 99.89 0.02 0.01 0.05 99.89 0.03 0.00 0.00 0.00 60 A H H 22.25 12.64 19.07 32.80 91.86 51.36 -63.47 -42.96 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.02 0.00 0.00 0.00 61 I H H 46.84 12.68 20.17 32.96 92.00 49.54 -64.11 -42.96 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 62 I H H 73.32 6.51 21.68 28.74 91.72 49.11 -64.19 -42.33 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 63 E H H 66.81 8.30 19.62 28.93 91.84 49.97 -64.23 -41.20 0.88 0.00 99.12 0.08 0.05 0.61 99.10 0.16 0.00 0.00 0.00 64 M H H 53.79 12.54 17.26 30.25 92.13 49.39 -65.95 -39.02 3.69 0.01 96.30 0.31 0.24 2.83 96.10 0.50 0.00 0.00 0.00 65 S H H 46.17 8.06 17.43 26.15 92.94 50.93 -68.77 -36.54 15.60 0.06 84.34 2.18 1.63 11.32 83.25 1.55 0.02 0.02 0.03 66 D H H 83.38 3.92 18.50 22.74 93.87 53.99 -70.52 -31.30 38.93 0.26 60.81 7.64 5.21 26.18 55.59 5.04 0.05 0.11 0.17 67 E H H 74.01 9.77 14.42 25.16 94.65 57.08 -71.19 -24.40 46.55 0.65 52.81 17.99 6.23 22.90 39.53 12.62 0.03 0.30 0.40 68 L C T 79.25 9.68 13.74 24.26 93.47 65.78 -69.51 -22.62 58.75 0.61 40.65 19.25 7.62 32.41 28.06 11.93 0.03 0.28 0.43 69 T C T 91.45 3.60 15.81 20.17 97.36 52.53 -93.93 -3.28 69.65 0.61 29.74 22.28 10.31 38.02 17.13 11.50 0.01 0.26 0.48 70 Q C C 76.19 7.74 11.04 20.68 113.83 105.02 -79.57 134.02 93.78 0.40 5.81 51.44 40.31 1.82 5.14 0.83 0.00 0.10 0.36 71 P H H 90.15 3.97 13.07 18.51 95.69 -122.11 -62.08 -27.52 40.14 0.29 59.56 10.06 5.04 23.65 38.51 22.39 0.02 0.15 0.18 72 E H H 120.99 3.31 13.98 18.30 94.95 59.45 -69.61 -27.16 35.34 0.64 64.02 7.42 4.34 21.56 41.76 24.19 0.07 0.38 0.28 73 I H H 58.37 10.71 11.12 22.71 95.69 56.22 -70.59 -36.29 29.50 2.48 68.02 10.22 5.59 13.05 42.73 25.90 0.18 1.61 0.72 74 I H H 83.22 7.92 11.31 20.45 96.65 52.95 -76.37 -26.55 38.00 5.08 56.92 17.04 8.44 14.18 40.13 15.03 0.35 3.08 1.75 75 G C T 49.89 2.98 12.26 16.38 98.62 55.85 -69.19 -23.07 62.05 3.11 34.83 23.23 11.08 28.45 22.82 11.30 0.11 1.72 1.29 76 E C C 129.87 3.20 10.95 15.60 100.92 67.19 -82.48 -3.33 80.39 1.29 18.33 59.34 2.53 20.27 11.34 5.16 0.00 0.74 0.63 77 I C C 93.28 8.26 10.64 19.84 102.39 71.47 -84.17 0.08 99.91 0.05 0.04 99.80 0.09 0.06 0.02 0.00 0.00 0.02 0.01