# 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 100.79 5.21 12.40 18.94 109.32 -153.60 -84.98 114.48 99.39 0.28 0.34 99.31 0.13 0.16 0.17 0.03 0.00 0.13 0.06 1 L C C 101.43 4.45 9.60 15.63 96.02 154.83 -69.16 -25.83 57.16 2.91 39.93 45.80 2.43 9.67 26.54 12.47 0.00 1.60 1.49 2 S H H 75.48 3.07 9.12 13.81 95.20 66.20 -70.22 -25.98 45.99 1.87 52.15 22.83 7.41 15.60 28.67 23.59 0.03 1.01 0.85 3 R H H 174.13 1.30 10.33 12.22 94.79 59.65 -73.81 -26.11 44.41 1.07 54.52 12.24 8.67 22.58 29.95 25.25 0.14 0.54 0.63 4 F H H 148.93 1.85 10.40 13.09 99.24 48.88 -83.08 -26.41 48.31 1.25 50.44 10.16 10.51 27.09 31.73 18.82 0.30 0.62 0.77 5 L C S 90.37 5.08 8.59 15.33 107.35 49.00 -96.47 10.74 64.53 4.11 31.37 21.37 32.57 12.08 24.66 4.55 0.26 1.09 3.41 6 G C C 31.15 3.26 12.71 17.25 124.66 -122.91 88.19 175.39 97.19 0.24 2.56 90.94 5.32 0.68 2.62 0.21 0.00 0.07 0.17 7 P H H 104.99 1.69 11.87 14.08 93.29 -81.10 -60.96 -36.89 6.63 0.02 93.35 0.99 0.86 4.54 90.49 3.10 0.01 0.01 0.01 8 R H H 157.69 1.30 12.34 13.69 92.26 52.43 -65.23 -38.78 4.46 0.02 95.52 0.55 0.40 3.29 92.19 3.54 0.01 0.01 0.00 9 Y H H 113.16 3.78 11.81 17.15 92.68 49.05 -67.43 -39.28 2.19 0.02 97.79 0.54 0.23 1.29 94.62 3.31 0.00 0.01 0.00 10 R H H 118.81 3.20 13.09 17.49 92.03 51.53 -64.53 -40.99 1.04 0.01 98.96 0.27 0.10 0.54 98.24 0.84 0.00 0.00 0.00 11 E H H 104.39 1.81 14.69 16.27 92.06 50.50 -64.58 -41.11 1.23 0.00 98.77 0.18 0.09 0.81 98.22 0.69 0.00 0.00 0.00 12 L H H 87.88 2.43 14.17 17.11 92.06 50.20 -64.63 -41.00 1.32 0.00 98.68 0.13 0.07 0.97 98.03 0.79 0.00 0.00 0.00 13 A H H 52.63 3.83 12.52 18.00 91.96 51.01 -64.72 -39.37 1.35 0.00 98.65 0.14 0.07 0.95 96.60 2.23 0.00 0.00 0.00 14 R H H 150.09 1.91 14.53 16.66 92.25 51.63 -66.19 -36.73 4.10 0.00 95.89 0.12 0.11 3.82 89.13 6.81 0.00 0.00 0.00 15 N H H 106.22 1.83 13.81 15.75 93.18 50.10 -72.57 -28.29 18.49 0.01 81.50 0.22 0.39 18.93 73.84 6.59 0.01 0.00 0.00 16 W H H 141.84 3.95 12.33 17.59 96.52 51.15 -85.02 -15.13 30.42 0.04 69.54 1.75 1.75 26.79 63.32 6.30 0.02 0.01 0.04 17 I H H 93.73 3.47 13.51 18.26 93.19 73.93 -62.68 -43.05 3.62 0.01 96.38 0.87 0.50 1.97 93.83 2.83 0.00 0.00 0.00 18 P H H 81.00 2.16 15.32 17.46 92.21 49.78 -64.72 -39.68 2.72 0.01 97.27 0.48 0.20 1.82 93.66 3.85 0.00 0.00 0.00 19 T H H 71.32 3.10 14.69 18.57 92.60 49.74 -66.15 -40.00 1.47 0.00 98.52 0.26 0.11 0.92 95.03 3.67 0.00 0.00 0.00 20 A H H 59.01 2.93 15.05 18.67 92.23 51.31 -64.35 -40.45 1.06 0.00 98.94 0.16 0.08 0.67 97.72 1.37 0.00 0.00 0.00 21 G H H 39.08 2.34 15.43 17.92 91.94 51.13 -64.63 -40.94 3.12 0.00 96.88 0.21 0.15 2.73 95.80 1.11 0.00 0.00 0.00 22 M H H 104.06 2.38 15.67 18.19 92.24 49.54 -65.66 -41.19 3.16 0.00 96.83 0.22 0.18 2.67 96.20 0.73 0.00 0.00 0.00 23 W H H 149.74 2.31 15.74 18.22 92.04 49.82 -64.85 -41.23 1.11 0.00 98.89 0.17 0.09 0.68 98.78 0.28 0.00 0.00 0.00 24 G H H 38.00 2.56 15.74 18.60 91.98 50.40 -64.06 -41.86 0.99 0.00 99.01 0.16 0.07 0.60 98.98 0.18 0.00 0.00 0.00 25 T H H 76.57 2.53 16.53 18.96 92.34 48.81 -65.60 -41.01 0.86 0.00 99.14 0.12 0.06 0.57 99.10 0.15 0.00 0.00 0.00 26 V H H 82.76 2.54 16.52 19.12 92.41 49.24 -64.94 -41.59 0.54 0.00 99.46 0.09 0.04 0.32 99.48 0.08 0.00 0.00 0.00 27 G H H 35.44 2.90 16.02 19.41 91.76 50.82 -63.96 -41.75 0.29 0.00 99.70 0.05 0.02 0.16 99.73 0.04 0.00 0.00 0.00 28 A H H 58.32 2.66 16.41 19.24 91.84 50.07 -64.52 -41.50 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 29 V H H 81.52 2.74 16.26 19.25 92.05 49.83 -64.38 -41.45 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 30 G H H 36.19 2.78 15.46 18.81 91.74 50.92 -63.45 -41.75 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 31 L H H 96.10 1.99 16.00 17.75 91.96 49.68 -64.51 -41.26 0.15 0.00 99.85 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 32 V H H 79.03 3.00 14.19 18.07 92.10 49.82 -64.95 -41.33 0.26 0.00 99.74 0.02 0.01 0.19 99.62 0.16 0.00 0.00 0.00 33 W H H 156.54 2.47 13.81 16.99 92.33 50.07 -66.14 -38.35 0.96 0.00 99.04 0.05 0.04 0.80 98.69 0.43 0.00 0.00 0.00 34 A H H 77.39 1.45 13.99 15.10 93.08 50.11 -71.39 -29.85 6.48 0.01 93.51 0.20 0.25 6.10 92.74 0.70 0.01 0.00 0.00 35 T H H 78.89 2.81 12.46 16.13 99.98 49.10 -87.50 -17.73 32.40 0.19 67.42 2.11 3.52 26.24 66.49 1.36 0.08 0.06 0.13 36 D C H 82.00 3.94 12.26 17.50 101.76 -104.58 -73.71 50.69 54.00 0.70 45.30 30.18 5.50 17.23 44.47 1.92 0.01 0.25 0.43 37 W H H 144.80 3.88 11.79 17.29 94.39 116.90 -66.28 -33.31 12.55 0.12 87.33 5.92 1.81 5.38 83.89 2.88 0.01 0.05 0.06 38 R H H 145.17 2.18 13.58 16.39 92.62 55.60 -65.71 -38.46 3.45 0.04 96.51 0.81 0.41 2.17 92.84 3.73 0.01 0.03 0.01 39 L H H 88.84 2.31 13.41 16.32 92.46 50.68 -65.35 -40.63 1.85 0.03 98.12 0.37 0.20 1.22 93.54 4.64 0.00 0.02 0.00 40 I H H 88.39 3.46 12.71 17.49 92.56 49.24 -65.79 -40.96 1.69 0.02 98.29 0.23 0.14 1.21 93.49 4.90 0.00 0.01 0.00 41 L H H 84.60 4.41 11.63 17.74 92.44 51.17 -67.37 -34.14 4.00 0.02 95.98 0.28 0.22 3.22 84.33 11.92 0.01 0.01 0.00 42 D H H 102.59 2.04 13.09 15.86 92.58 58.76 -68.62 -24.36 34.94 0.05 65.02 0.67 0.89 34.11 53.65 10.61 0.02 0.02 0.03 43 W C T 172.81 2.17 12.51 15.28 97.84 46.13 -96.25 -2.83 58.81 0.12 41.07 2.28 2.56 53.75 32.17 9.08 0.01 0.05 0.10 44 V C C 60.17 7.47 7.34 16.77 112.08 106.06 -84.35 120.28 91.45 1.82 6.73 46.54 42.46 2.39 5.46 1.09 0.00 0.43 1.63 45 P C T 99.55 2.17 11.26 14.53 96.16 -148.09 -65.11 -26.98 71.08 1.39 27.54 26.29 12.50 32.95 13.58 13.14 0.02 0.69 0.83 46 Y C T 166.11 1.83 10.71 13.36 99.51 55.40 -82.53 -12.22 63.13 6.28 30.60 16.24 13.14 33.84 15.32 14.41 0.51 3.40 3.15 47 I C T 100.81 4.36 8.74 14.79 103.17 68.20 -86.77 18.82 56.06 11.80 32.14 18.76 15.12 23.16 14.48 15.13 1.27 5.75 6.33 48 N C T 110.12 3.09 10.35 14.80 101.04 57.56 -72.50 33.35 68.02 3.56 28.41 18.26 14.93 35.36 11.26 16.16 0.18 1.74 2.11 49 G C T 47.38 3.27 10.79 15.43 100.32 47.68 -52.89 -11.03 69.55 1.53 28.91 17.84 17.01 35.31 7.60 20.47 0.04 0.70 1.03 50 K C T 139.49 2.36 10.63 14.15 96.93 76.62 -78.11 -20.24 68.89 2.84 28.27 20.42 19.66 29.83 7.11 19.91 0.06 1.39 1.61 51 F C C 128.42 4.48 8.68 14.83 105.94 53.20 -97.25 36.53 71.34 6.59 22.06 35.58 18.03 18.84 6.29 14.55 0.07 3.01 3.62 52 K C C 133.43 3.09 9.05 14.10 114.22 128.48 -90.28 133.81 86.09 4.77 9.13 71.27 9.18 5.39 4.72 4.28 0.00 2.56 2.60 53 K C C 152.06 2.40 8.25 12.57 110.88 -143.47 -88.67 124.00 89.84 2.66 7.49 66.92 14.15 8.72 3.85 3.40 0.00 1.34 1.62 54 D C C 113.43 2.07 8.06 11.82 111.73 -147.09 -90.57 123.91 96.11 0.63 3.26 85.89 2.21 8.63 1.35 1.27 0.00 0.32 0.33 55 D C C 119.63 1.81 10.15 13.28 103.58 -148.88 -86.44 52.76 99.96 0.02 0.02 99.77 0.13 0.08 0.00 0.00 0.00 0.01 0.01