# 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 126.25 3.85 11.06 16.56 119.15 -168.33 -101.02 135.23 99.67 0.29 0.04 99.59 0.15 0.05 0.02 0.00 0.00 0.14 0.05 1 A C C 75.51 4.00 7.72 13.63 115.40 -127.37 -86.53 141.34 86.51 6.25 7.24 82.69 1.34 3.21 4.75 1.71 0.00 3.79 2.52 2 K C C 152.95 1.90 8.36 11.94 114.27 -137.16 -92.26 134.55 81.15 7.36 11.49 63.06 10.86 6.53 8.17 3.89 0.01 4.62 2.87 3 R C C 163.36 2.72 8.00 12.49 114.19 -127.79 -89.08 135.73 75.62 5.10 19.28 59.00 9.21 6.83 13.29 6.50 0.01 2.97 2.21 4 K C C 153.37 2.09 9.56 13.08 102.79 -134.91 -78.61 -9.60 64.05 2.44 33.51 30.60 14.89 19.41 23.16 9.55 0.05 1.23 1.13 5 N C C 102.44 3.68 9.38 14.73 107.48 59.37 -95.54 90.12 63.85 1.91 34.24 30.11 14.67 20.18 23.94 9.15 0.05 0.86 1.04 6 H C C 116.82 4.86 9.53 16.07 105.32 158.26 -90.77 31.34 56.88 2.07 41.05 37.32 11.09 9.41 33.27 6.87 0.02 0.90 1.14 7 T H H 78.35 4.21 10.99 16.73 114.08 124.97 -92.14 143.43 48.40 1.65 49.94 29.08 10.06 11.03 42.41 5.86 0.04 0.78 0.77 8 N H H 100.25 3.47 12.08 16.73 102.60 -131.75 -82.95 2.75 42.46 1.28 56.26 22.10 10.71 11.81 48.02 6.12 0.05 0.60 0.59 9 H H H 108.49 4.99 11.54 17.95 98.23 89.78 -75.05 -29.13 36.99 1.16 61.85 17.35 9.32 12.72 52.61 6.83 0.07 0.56 0.54 10 N H H 89.10 4.62 12.30 18.25 98.31 57.56 -75.27 -22.51 37.43 1.09 61.48 19.23 7.78 12.71 52.38 6.80 0.05 0.53 0.52 11 Q H H 106.93 3.59 12.98 17.66 98.13 64.78 -75.80 -23.07 36.12 1.07 62.81 16.63 8.49 13.28 54.15 6.35 0.07 0.51 0.51 12 N H H 78.93 5.23 11.95 18.63 103.00 65.60 -82.51 -2.45 42.33 1.26 56.40 22.76 8.78 13.00 48.67 5.56 0.04 0.58 0.61 13 R H H 131.23 4.26 12.30 17.95 96.81 102.66 -69.60 -33.50 32.18 1.34 66.49 16.20 8.24 10.55 57.47 6.23 0.08 0.64 0.59 14 K H H 121.26 2.85 13.08 16.87 93.68 60.76 -66.94 -36.72 27.61 1.74 70.65 12.85 6.42 11.15 59.28 8.45 0.18 0.97 0.70 15 D H H 78.21 4.49 11.47 17.45 95.57 53.49 -71.61 -31.08 27.02 2.02 70.95 13.78 5.35 10.26 58.44 10.06 0.13 1.26 0.72 16 H H H 112.00 4.99 10.21 16.55 98.64 54.93 -78.64 -21.48 29.33 2.77 67.90 12.76 6.20 12.99 53.31 11.70 0.29 1.69 1.07 17 R H H 162.32 2.31 10.75 14.09 102.03 58.29 -84.08 11.31 41.86 1.92 56.22 6.93 6.82 27.90 44.46 11.12 0.62 1.09 1.07 18 G C T 56.86 1.86 11.74 14.21 99.39 11.94 -69.13 5.37 65.60 0.51 33.89 6.51 9.25 48.86 29.39 5.31 0.06 0.22 0.39 19 G C S 52.87 2.81 10.95 15.21 99.72 -100.45 80.42 7.98 94.94 1.81 3.25 32.54 33.06 29.76 1.01 1.98 0.00 0.94 0.71 20 I C C 95.93 5.25 8.32 15.62 116.90 131.48 -90.30 136.49 85.36 12.63 2.01 59.10 22.02 3.81 0.79 1.26 0.00 5.87 7.14 21 K C C 147.90 1.97 12.22 15.37 115.83 -134.65 -89.68 139.78 89.65 9.13 1.22 70.88 16.33 1.98 0.50 0.73 0.00 4.62 4.97 22 K C C 136.75 4.52 10.46 17.22 115.14 -110.46 -78.01 137.45 98.40 1.42 0.18 84.51 13.55 0.45 0.07 0.10 0.00 0.77 0.55 23 P C C 66.11 8.34 8.16 17.90 114.22 -107.31 -65.42 148.66 98.08 0.91 1.01 90.75 4.44 2.93 0.26 0.67 0.00 0.41 0.54 24 K C C 169.26 0.99 11.58 12.77 104.88 -121.45 -81.99 52.93 97.37 1.17 1.47 74.83 17.63 4.56 0.45 1.02 0.00 0.41 1.10 25 M C C 105.96 4.68 7.28 13.70 119.80 99.92 -103.14 143.91 92.12 1.40 6.48 50.28 36.83 4.92 2.41 3.74 0.00 0.45 1.36 26 P C G 114.81 1.31 9.78 11.85 97.29 -117.85 -68.12 -21.49 57.45 0.67 41.88 17.09 10.43 29.78 6.36 35.62 0.00 0.35 0.36 27 K C G 149.04 1.90 9.64 12.58 96.43 64.77 -76.88 -16.34 52.38 0.80 46.82 11.97 9.73 30.72 8.27 38.46 0.01 0.40 0.42 28 F C G 88.02 8.46 7.10 16.47 103.91 51.82 -103.12 37.49 50.39 1.27 48.34 26.95 11.71 11.61 10.16 38.25 0.00 0.59 0.73 29 S H G 77.30 2.74 11.33 15.63 94.85 126.16 -65.78 -31.62 20.75 0.34 78.91 5.77 2.76 11.24 8.19 71.74 0.00 0.22 0.08 30 E H G 145.68 1.47 12.46 14.35 93.58 62.61 -74.68 -12.03 21.29 0.20 78.51 2.60 2.20 14.52 6.43 74.07 0.00 0.12 0.05 31 F H G 86.08 9.29 8.83 19.23 96.61 59.39 -94.40 0.67 29.39 0.40 70.21 7.10 4.27 16.36 4.05 67.87 0.00 0.23 0.11 32 L C T 109.88 4.44 10.08 17.00 111.05 121.68 -65.07 131.20 94.97 0.58 4.45 6.86 5.99 82.32 1.59 2.44 0.00 0.24 0.56 33 G C T 65.05 0.72 13.99 13.49 95.91 17.14 82.83 -1.66 97.65 0.24 2.11 4.73 9.66 83.31 0.48 1.54 0.00 0.14 0.13 34 L C C 75.03 7.87 8.55 18.02 119.22 112.10 -89.61 147.34 95.40 3.20 1.41 51.12 41.40 2.02 0.70 0.54 0.00 0.71 3.51 35 H C C 112.09 3.23 13.02 17.37 113.01 -105.28 -74.97 134.56 98.94 0.53 0.52 94.75 3.89 0.30 0.42 0.07 0.00 0.16 0.40 36 P H H 89.28 3.89 11.89 17.49 93.20 -123.56 -59.86 -37.11 18.90 0.15 80.95 9.15 2.00 7.98 76.85 3.87 0.01 0.07 0.07 37 A H H 69.35 1.93 15.12 16.86 92.12 53.62 -64.94 -39.33 13.62 0.08 86.31 4.51 1.32 7.49 83.02 3.59 0.01 0.04 0.03 38 T H H 57.03 4.41 14.26 20.19 92.39 48.47 -66.02 -40.50 6.49 0.08 93.43 3.23 0.76 2.71 89.66 3.58 0.00 0.05 0.02 39 L H H 57.64 6.73 13.44 22.08 91.93 51.46 -63.73 -42.09 1.21 0.01 98.77 0.54 0.14 0.45 98.41 0.45 0.00 0.00 0.00 40 A H H 55.94 2.94 16.70 19.97 91.65 50.78 -63.74 -41.78 0.44 0.00 99.56 0.12 0.03 0.20 99.49 0.16 0.00 0.00 0.00 41 R H H 132.42 2.53 17.20 19.71 91.90 50.03 -64.86 -41.03 0.30 0.00 99.70 0.06 0.02 0.15 99.66 0.10 0.00 0.00 0.00 42 L H H 77.35 5.56 16.09 22.61 91.99 50.17 -65.20 -40.81 0.24 0.00 99.76 0.05 0.01 0.13 99.75 0.07 0.00 0.00 0.00 43 E H H 100.71 3.44 17.68 21.51 91.89 50.17 -64.31 -41.55 0.26 0.00 99.74 0.04 0.01 0.14 99.75 0.05 0.00 0.00 0.00 44 E H H 98.30 2.35 17.88 19.72 91.81 49.40 -64.55 -41.81 0.41 0.00 99.59 0.06 0.02 0.25 99.59 0.08 0.00 0.00 0.00 45 A H H 46.30 4.10 16.00 21.19 91.42 50.86 -63.80 -41.52 0.56 0.00 99.44 0.08 0.03 0.35 99.44 0.10 0.00 0.00 0.00 46 G H H 30.02 4.44 15.43 21.12 91.62 51.48 -63.46 -41.61 0.93 0.00 99.07 0.14 0.06 0.58 99.05 0.16 0.00 0.00 0.00 47 K H H 123.01 1.84 17.35 18.55 91.92 49.75 -64.94 -40.96 1.03 0.00 98.96 0.14 0.07 0.68 98.88 0.22 0.00 0.00 0.00 48 L H H 93.31 2.24 16.11 18.17 92.04 49.56 -65.04 -41.21 1.63 0.01 98.36 0.25 0.12 1.07 98.27 0.29 0.00 0.00 0.00 49 W H H 135.43 3.16 14.72 18.61 92.34 48.98 -65.02 -41.17 2.97 0.02 97.01 0.63 0.29 1.80 96.81 0.46 0.00 0.01 0.00 50 N H H 91.06 2.29 14.78 17.36 92.33 50.22 -65.12 -40.26 6.03 0.04 93.93 1.35 0.63 3.73 93.48 0.77 0.00 0.02 0.01 51 A H H 62.35 1.80 14.12 15.85 92.28 51.10 -65.34 -39.35 10.53 0.09 89.38 2.53 1.30 6.50 88.32 1.26 0.02 0.04 0.04 52 A H H 58.69 2.65 11.73 15.57 93.26 52.72 -67.17 -37.15 17.62 0.29 82.10 6.29 2.99 8.93 79.21 2.30 0.02 0.13 0.13 53 T H H 87.01 2.55 10.11 13.91 95.48 53.52 -72.79 -26.99 29.30 0.66 70.04 10.27 4.57 15.46 65.45 3.59 0.05 0.33 0.29 54 S H H 87.05 1.34 9.28 11.37 98.71 60.55 -79.28 -13.72 46.45 1.42 52.12 17.20 6.69 23.93 47.04 3.79 0.06 0.69 0.61 55 R C C 173.38 1.58 8.04 10.93 104.48 79.82 -83.37 38.62 68.54 1.18 30.28 45.34 2.20 19.62 29.39 2.29 0.00 0.55 0.61 56 K C C 155.34 1.96 10.32 13.70 109.40 96.17 -85.29 113.57 99.84 0.07 0.09 99.61 0.13 0.14 0.06 0.01 0.00 0.03 0.01