# 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 A C C 78.68 3.72 11.44 16.52 114.27 -139.87 -84.58 140.05 99.92 0.07 0.01 99.83 0.10 0.02 0.00 0.00 0.00 0.03 0.01 1 V C C 100.40 4.13 8.03 14.10 117.24 -135.68 -94.74 133.19 98.61 0.89 0.50 97.87 0.70 0.25 0.36 0.06 0.00 0.33 0.43 2 P C C 91.88 3.02 8.44 13.36 113.82 -108.97 -65.90 147.35 95.22 1.37 3.41 91.75 2.12 1.96 1.99 0.83 0.00 0.77 0.57 3 K C C 163.06 1.56 8.27 11.19 110.67 -127.57 -86.19 124.94 84.09 3.45 12.45 68.48 9.94 5.67 8.56 3.85 0.00 1.61 1.88 4 K C C 153.38 1.90 7.91 11.41 114.53 -123.76 -91.71 131.45 76.26 4.44 19.30 57.03 12.07 6.85 13.56 6.14 0.00 2.47 1.87 5 R C C 171.69 1.96 8.08 11.63 112.62 -144.46 -92.67 125.37 73.88 4.45 21.68 57.64 9.38 6.22 16.82 5.61 0.00 2.70 1.62 6 T C C 90.38 3.24 8.08 13.05 113.83 -156.09 -97.66 136.73 73.82 4.09 22.09 57.32 10.42 5.40 18.82 4.19 0.01 2.38 1.47 7 S C C 70.12 2.95 8.48 13.02 110.84 -115.28 -81.37 135.17 71.88 3.33 24.79 57.00 8.35 5.71 21.84 4.00 0.00 1.92 1.18 8 I C H 131.82 1.63 9.50 12.07 96.78 -129.07 -73.70 -26.68 53.55 1.28 45.17 25.53 15.02 13.22 39.65 5.42 0.03 0.61 0.53 9 Y C H 156.91 1.84 9.97 12.71 100.05 59.69 -78.34 -25.54 54.47 1.10 44.43 25.58 14.72 14.44 39.35 4.90 0.03 0.48 0.51 10 K C H 116.42 2.68 10.41 14.29 105.97 54.37 -78.27 85.92 50.29 0.93 48.78 33.99 9.05 7.15 46.00 3.01 0.00 0.39 0.41 11 K H H 132.17 2.18 10.87 14.13 94.41 -116.03 -64.82 -39.02 11.84 0.18 87.97 5.19 2.33 4.63 85.93 1.74 0.01 0.09 0.07 12 R H H 155.86 1.24 12.84 13.71 92.83 50.46 -66.30 -38.54 8.35 0.17 91.48 2.90 1.38 4.37 89.52 1.65 0.02 0.10 0.05 13 I H H 89.53 2.53 12.87 16.07 92.62 49.48 -66.12 -41.16 5.23 0.13 94.64 2.18 0.87 2.38 93.30 1.15 0.01 0.09 0.03 14 R H H 118.18 3.17 13.17 17.53 92.09 50.44 -64.64 -41.71 2.44 0.04 97.52 1.00 0.34 1.08 96.95 0.59 0.00 0.02 0.01 15 K H H 113.46 2.17 15.02 17.32 91.92 50.21 -64.67 -41.03 1.56 0.02 98.42 0.45 0.19 0.82 98.12 0.41 0.00 0.01 0.00 16 N H H 81.62 2.18 15.48 17.60 91.94 49.89 -65.07 -40.71 1.68 0.01 98.31 0.40 0.18 0.98 98.02 0.41 0.00 0.01 0.00 17 I H H 83.20 2.96 14.86 18.55 92.07 49.96 -64.24 -42.48 1.47 0.01 98.52 0.28 0.15 0.93 98.29 0.34 0.00 0.00 0.00 18 W H H 136.25 2.71 14.97 18.24 92.06 49.64 -64.54 -41.38 1.53 0.01 98.46 0.29 0.15 0.99 98.20 0.36 0.00 0.00 0.00 19 K H H 122.05 2.00 15.77 17.62 91.90 49.85 -64.47 -40.79 2.29 0.01 97.70 0.35 0.19 1.62 97.47 0.37 0.00 0.00 0.00 20 K H H 119.12 2.14 16.25 18.21 92.16 49.69 -65.57 -40.68 1.88 0.01 98.11 0.28 0.17 1.29 97.97 0.28 0.00 0.00 0.00 21 K H H 114.97 2.63 16.09 19.01 92.07 50.02 -65.27 -40.28 1.22 0.00 98.78 0.17 0.10 0.83 98.70 0.21 0.00 0.00 0.00 22 G H H 33.71 3.32 15.25 19.53 92.13 50.39 -64.14 -41.25 0.94 0.00 99.06 0.14 0.06 0.60 99.01 0.18 0.00 0.00 0.00 23 Y H H 129.03 2.43 16.80 19.08 92.09 49.89 -64.32 -41.51 0.37 0.00 99.63 0.06 0.02 0.21 99.64 0.08 0.00 0.00 0.00 24 W H H 134.91 2.79 16.89 19.82 92.16 49.61 -64.74 -41.50 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 25 A H H 51.96 3.36 16.37 20.46 91.77 50.54 -64.04 -41.46 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 26 A H H 54.71 3.04 16.64 20.02 91.68 50.39 -63.79 -41.61 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 27 L H H 88.64 3.05 17.41 20.63 91.85 49.32 -64.60 -41.50 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 K H H 110.27 3.38 17.01 21.00 91.94 49.94 -64.37 -41.19 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 29 A H H 57.32 2.93 16.80 19.88 91.75 50.43 -63.67 -41.62 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.02 0.00 0.00 0.00 30 F H H 118.77 2.22 17.92 19.57 91.79 48.90 -64.72 -41.55 0.33 0.00 99.67 0.02 0.01 0.24 99.67 0.06 0.00 0.00 0.00 31 S H H 47.31 4.56 15.61 21.56 91.77 50.88 -64.28 -41.21 0.70 0.00 99.30 0.06 0.04 0.51 99.26 0.13 0.00 0.00 0.00 32 L H H 87.60 3.60 16.18 20.51 91.91 50.22 -64.64 -41.02 0.95 0.00 99.05 0.09 0.06 0.67 98.92 0.26 0.00 0.00 0.00 33 A H H 58.15 2.33 16.53 18.70 91.59 50.96 -63.85 -41.24 1.72 0.01 98.27 0.25 0.15 1.16 97.93 0.50 0.01 0.01 0.00 34 K H H 112.49 2.38 16.24 18.61 92.23 50.00 -65.65 -39.69 4.79 0.04 95.17 0.62 0.45 3.58 94.26 1.05 0.02 0.02 0.01 35 S H H 40.18 5.70 11.81 19.69 92.41 51.92 -65.32 -38.83 8.26 0.15 91.59 1.92 1.11 5.40 89.02 2.37 0.04 0.08 0.06 36 L H H 108.75 2.52 12.60 16.08 92.84 51.85 -66.90 -36.77 11.38 0.23 88.39 2.27 1.45 7.94 82.02 6.01 0.09 0.13 0.08 37 S H H 89.38 0.98 12.24 12.80 95.25 52.45 -74.64 -27.67 18.57 0.24 81.19 2.45 2.29 14.06 76.25 4.62 0.10 0.12 0.12 38 T H H 95.23 1.81 10.78 13.17 100.45 39.36 -96.35 -6.55 42.40 0.48 57.12 5.20 8.40 29.61 52.49 3.65 0.14 0.17 0.34 39 G C T 59.33 1.53 11.31 13.63 99.12 -111.18 78.93 6.41 96.33 0.60 3.06 22.69 31.81 42.09 1.29 1.53 0.00 0.30 0.28 40 N C C 112.18 2.53 10.63 14.55 106.66 96.36 -96.18 82.43 95.43 1.09 3.48 60.42 25.26 9.70 1.27 2.18 0.00 0.48 0.69 41 S C C 62.09 6.55 8.55 16.67 109.23 167.39 -92.21 107.87 90.44 1.27 8.29 74.71 9.70 6.04 3.83 4.32 0.00 0.61 0.80 42 K C C 154.93 1.91 12.45 15.16 98.98 122.84 -85.78 -8.44 72.12 1.18 26.70 30.54 21.49 20.50 14.96 11.25 0.01 0.53 0.72 43 S C C 69.09 3.59 11.87 16.76 110.70 66.89 -90.78 119.04 64.97 3.24 31.78 30.50 15.78 19.39 18.57 12.65 0.05 1.77 1.29 44 F C C 108.91 6.73 9.93 18.09 109.23 71.03 -92.18 103.43 53.93 7.21 38.86 35.69 10.40 8.19 27.91 11.00 0.05 4.99 1.78 45 F H H 121.80 4.11 11.69 17.18 102.34 56.92 -79.95 -20.33 41.61 11.25 47.14 29.26 7.62 6.06 39.01 7.23 0.08 8.76 1.98 46 V H H 91.05 4.35 10.95 16.75 97.95 60.47 -75.11 -31.64 29.47 10.46 60.07 20.66 4.82 5.41 48.26 10.26 0.06 9.37 1.15 47 R H H 149.15 2.76 11.48 15.46 96.02 58.95 -70.82 -32.67 31.90 9.27 58.82 21.67 4.85 6.23 47.22 10.53 0.05 8.45 0.99 48 K H H 134.95 2.59 11.56 15.19 97.48 54.29 -78.19 -24.40 37.46 6.56 55.97 25.42 5.54 7.39 45.03 10.14 0.05 5.38 1.05 49 I H H 95.51 4.94 8.96 15.56 101.87 60.40 -83.58 -12.95 45.41 3.14 51.45 29.81 8.02 8.69 45.19 5.43 0.03 1.99 0.84 50 S C H 75.83 2.86 10.08 14.32 101.33 60.03 -82.22 -7.20 57.86 1.56 40.58 32.65 10.13 14.98 35.74 5.06 0.02 0.86 0.57 51 N C C 117.52 2.16 9.25 12.73 102.31 54.57 -87.65 15.24 62.42 1.41 36.17 31.35 12.60 18.83 28.84 7.03 0.02 0.71 0.62 52 Q C C 121.43 3.04 8.13 12.95 107.36 103.26 -86.83 91.04 61.98 2.56 35.46 35.16 12.96 14.13 25.70 9.60 0.03 1.44 0.98 53 T C C 103.64 1.99 7.92 11.42 107.76 93.74 -89.79 94.60 64.25 5.29 30.46 38.44 11.75 14.23 21.28 9.22 0.05 3.29 1.76 54 L C C 122.96 2.57 6.65 11.00 107.70 106.94 -89.33 88.43 74.00 3.48 22.52 59.83 2.59 12.34 15.91 5.63 0.00 2.27 1.43 55 E C C 143.43 2.10 10.11 13.68 108.40 -149.76 -87.67 108.85 99.79 0.12 0.09 99.61 0.12 0.12 0.05 0.01 0.00 0.07 0.02