# 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 111.71 6.56 12.10 20.05 114.83 -169.12 -96.45 133.29 99.75 0.23 0.03 99.61 0.16 0.07 0.01 0.00 0.00 0.11 0.04 1 A C C 72.97 4.73 9.75 16.08 114.19 -150.39 -93.96 133.07 91.74 7.09 1.17 87.00 2.55 2.12 0.62 0.39 0.00 3.35 3.96 2 G C C 41.52 3.85 9.63 15.09 122.80 -140.41 -119.78 174.84 92.82 3.81 3.36 61.73 26.57 4.64 1.64 1.62 0.00 1.79 2.01 3 P C T 108.12 2.02 10.18 13.19 99.03 -58.21 -69.65 -18.87 71.51 1.58 26.91 27.22 16.44 29.09 10.72 14.84 0.02 0.73 0.94 4 E C T 136.45 2.27 9.91 13.42 101.29 57.00 -81.37 -3.50 66.52 1.50 31.98 26.17 13.21 27.87 14.15 16.92 0.02 0.67 0.98 5 A C C 61.73 4.62 9.16 15.53 102.66 85.82 -76.71 -16.13 55.19 1.46 43.34 25.51 13.81 16.34 20.76 22.03 0.03 0.64 0.86 6 D C C 95.34 3.76 10.03 15.28 100.20 59.84 -77.86 -9.02 50.41 1.09 48.50 25.42 9.12 15.84 23.12 25.38 0.02 0.51 0.60 7 A H G 75.47 3.15 9.61 14.38 98.74 79.88 -75.34 -15.55 43.63 0.89 55.48 18.46 8.09 16.70 22.96 32.88 0.02 0.44 0.47 8 Q H G 135.18 1.76 11.24 13.82 98.96 69.20 -82.23 -0.55 48.61 1.19 50.19 20.88 9.79 17.89 18.75 31.45 0.03 0.56 0.65 9 F C C 120.74 5.64 9.30 16.60 111.51 83.83 -96.35 116.30 64.55 1.84 33.61 39.95 11.98 12.36 12.55 21.29 0.01 0.89 0.97 10 H C C 130.96 3.45 11.41 16.64 115.78 -164.56 -105.37 125.31 81.39 3.59 15.02 61.08 10.12 10.06 7.83 7.10 0.00 1.91 1.91 11 F C C 118.46 6.67 9.16 17.41 109.70 -157.48 -95.46 105.43 87.02 4.92 8.06 76.85 5.99 4.12 5.30 2.67 0.00 2.33 2.73 12 T C C 89.84 3.03 12.22 16.56 110.38 135.32 -102.06 87.49 72.72 3.91 23.36 44.48 13.52 14.37 20.44 3.49 0.03 1.87 1.79 13 G C H 40.31 3.69 13.31 18.08 99.17 33.84 71.02 -29.07 56.12 2.05 41.83 18.01 18.79 20.91 35.53 4.75 0.14 0.95 0.92 14 I H H 84.22 6.63 10.33 18.45 93.59 63.81 -66.92 -36.47 9.74 0.28 89.98 3.41 1.66 4.63 72.21 17.80 0.02 0.18 0.07 15 K H H 127.91 3.90 12.47 17.84 92.44 58.43 -65.57 -34.12 4.52 0.14 95.33 0.98 0.56 2.68 73.73 21.90 0.01 0.12 0.02 16 K H H 139.79 1.77 14.03 15.94 93.63 53.20 -71.43 -30.59 5.67 0.14 94.19 0.87 0.65 3.63 72.36 22.32 0.03 0.10 0.03 17 Y H H 128.24 4.27 12.64 18.17 100.99 39.06 -93.81 -22.89 16.74 0.52 82.74 2.98 2.76 11.01 68.22 14.32 0.20 0.30 0.22 18 F C H 90.17 8.75 10.16 20.02 107.79 60.52 -94.08 47.98 58.41 4.61 36.98 26.89 16.91 17.07 29.62 4.59 0.29 1.64 3.00 19 N C C 93.48 3.88 12.76 17.81 104.21 54.80 -88.50 19.87 72.66 2.73 24.61 36.07 11.62 25.42 14.15 9.95 0.04 1.30 1.45 20 S C T 72.87 4.40 11.11 16.99 98.46 55.80 -81.68 -4.83 73.41 1.88 24.71 21.58 19.08 33.68 11.61 12.04 0.05 0.84 1.12 21 Y C C 167.70 2.17 12.45 15.29 101.01 63.99 -91.13 -8.12 75.47 3.43 21.10 30.78 22.74 23.10 10.44 9.48 0.05 1.48 1.93 22 T C S 62.69 4.40 10.76 16.98 121.10 79.47 -99.49 156.89 75.92 4.44 19.64 34.13 35.83 6.64 16.73 2.61 0.04 1.38 2.63 23 L H H 121.30 2.28 12.35 15.77 93.80 -117.48 -62.59 -35.38 35.82 0.80 63.39 9.14 11.12 17.39 57.09 4.35 0.15 0.35 0.42 24 T H H 90.27 1.73 14.34 15.96 93.42 52.17 -67.25 -38.83 32.09 0.59 67.31 6.36 6.34 20.49 61.96 4.10 0.15 0.28 0.32 25 G H H 25.96 5.45 12.49 20.00 93.11 51.82 -64.54 -40.52 29.16 0.70 70.13 11.79 5.36 13.60 64.78 3.74 0.05 0.33 0.36 26 R H H 117.95 5.02 14.30 20.50 92.33 51.67 -64.87 -40.44 11.21 0.24 88.55 6.35 1.91 3.62 86.35 1.57 0.01 0.10 0.09 27 M H H 101.77 2.90 16.44 19.72 92.18 51.05 -65.34 -40.80 3.65 0.08 96.27 1.56 0.54 1.65 95.33 0.85 0.01 0.04 0.02 28 N H H 84.30 3.00 17.10 20.38 92.43 49.92 -65.75 -40.21 2.73 0.06 97.21 1.11 0.34 1.31 96.43 0.77 0.00 0.03 0.01 29 C H H 57.43 5.22 15.94 22.28 92.36 50.09 -65.22 -41.91 1.51 0.03 98.46 0.55 0.18 0.73 98.09 0.43 0.00 0.01 0.01 30 V H H 69.94 4.33 16.63 21.78 91.93 49.86 -64.19 -42.48 0.91 0.02 99.07 0.28 0.10 0.45 98.95 0.20 0.00 0.01 0.00 31 L H H 94.27 2.53 17.73 20.18 91.85 49.30 -64.38 -41.65 0.81 0.01 99.18 0.19 0.07 0.45 99.09 0.19 0.00 0.00 0.00 32 A H H 55.61 3.12 16.62 20.17 91.87 50.05 -64.38 -41.56 1.38 0.01 98.61 0.25 0.11 0.88 98.48 0.27 0.00 0.00 0.00 33 T H H 67.16 3.99 16.68 21.12 92.09 49.09 -65.49 -41.88 2.74 0.02 97.24 0.37 0.21 1.97 97.11 0.32 0.00 0.01 0.01 34 Y H H 126.76 2.88 17.01 20.08 92.32 49.07 -64.93 -41.25 2.77 0.01 97.21 0.47 0.25 1.79 97.28 0.21 0.00 0.00 0.01 35 G H H 35.84 2.92 15.99 19.50 92.01 50.67 -64.45 -41.43 1.47 0.00 98.53 0.31 0.13 0.80 98.66 0.10 0.00 0.00 0.00 36 S H H 57.68 2.98 15.97 19.25 92.25 50.94 -64.85 -41.53 0.54 0.00 99.45 0.11 0.04 0.29 99.50 0.06 0.00 0.00 0.00 37 I H H 96.04 2.33 16.39 18.49 92.13 49.83 -64.29 -41.98 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 38 A H H 58.00 2.34 15.34 17.95 91.53 50.35 -64.18 -41.32 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 39 L H H 92.28 2.24 15.14 17.50 91.76 50.37 -64.23 -41.04 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 I H H 95.21 2.07 15.26 17.17 91.67 50.17 -64.11 -41.90 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 41 V H H 82.97 1.83 14.76 16.42 91.58 49.82 -64.02 -42.15 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 42 L H H 90.16 2.05 14.03 16.34 91.68 49.98 -63.73 -41.41 0.12 0.00 99.88 0.00 0.00 0.09 99.86 0.05 0.00 0.00 0.00 43 Y H H 129.28 2.04 13.27 15.62 91.73 50.13 -64.17 -41.24 0.28 0.00 99.71 0.01 0.01 0.24 99.54 0.19 0.00 0.00 0.00 44 F H H 125.57 1.61 13.07 14.68 92.33 49.51 -66.02 -39.59 1.28 0.00 98.72 0.05 0.05 1.16 98.17 0.57 0.00 0.00 0.00 45 K H H 126.71 1.66 12.33 14.24 92.75 49.55 -67.96 -35.87 7.02 0.01 92.97 0.28 0.35 6.37 92.07 0.92 0.01 0.00 0.00 46 L H H 104.51 2.14 10.77 13.74 94.41 51.00 -72.93 -28.74 22.92 0.13 76.95 2.66 3.19 17.55 74.56 1.84 0.07 0.05 0.10 47 R H H 154.15 2.09 10.07 13.33 96.99 62.91 -73.42 -27.67 48.72 1.82 49.46 20.76 15.00 15.83 41.40 5.14 0.13 0.67 1.07 48 S C C 80.22 2.01 9.78 12.87 102.08 58.42 -80.43 7.93 64.65 1.83 33.52 40.61 7.52 16.61 26.86 6.55 0.01 0.92 0.92 49 K C C 153.60 1.71 8.81 11.79 103.76 69.96 -83.76 27.77 76.23 1.88 21.89 46.49 13.68 15.82 16.72 5.35 0.01 0.84 1.10 50 K C C 151.76 1.92 8.12 11.65 110.81 96.60 -89.58 118.97 88.15 1.64 10.21 56.53 23.27 8.05 7.66 2.72 0.00 0.67 1.09 51 T C C 101.90 1.99 8.59 12.32 116.22 -138.44 -93.37 137.38 94.15 0.97 4.89 69.68 22.12 2.21 3.94 1.09 0.00 0.41 0.56 52 P C C 103.58 2.21 8.69 12.63 113.67 -105.22 -67.62 147.26 81.14 1.57 17.29 67.44 6.49 7.59 10.89 6.00 0.00 0.89 0.71 53 A C C 88.51 1.87 7.32 10.92 111.15 -109.80 -74.53 137.38 74.76 4.87 20.37 53.29 12.21 9.32 12.13 8.20 0.01 3.17 1.69 54 V C C 119.09 1.81 6.47 10.03 114.35 -137.96 -93.17 130.62 70.77 9.99 19.25 51.77 11.53 7.21 12.34 7.12 0.02 7.36 2.66 55 K C C 165.71 1.03 7.70 9.90 114.83 -143.13 -95.81 130.97 74.17 10.20 15.62 56.87 9.78 6.96 10.92 5.06 0.01 7.98 2.41 56 A C C 87.93 2.22 6.21 10.37 112.74 -133.81 -85.17 134.73 88.16 4.25 7.59 79.56 2.36 6.97 4.71 2.08 0.00 3.04 1.27 57 T C C 110.84 1.62 9.25 12.15 111.06 -159.21 -96.39 110.71 99.84 0.11 0.05 99.63 0.16 0.11 0.02 0.00 0.00 0.06 0.01