# 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 116.35 4.49 10.70 16.78 109.19 -149.41 -84.08 121.93 99.78 0.04 0.18 99.64 0.09 0.12 0.12 0.01 0.00 0.01 0.01 1 R C C 152.35 2.92 9.43 13.92 107.98 -129.35 -85.37 92.29 71.69 0.61 27.70 63.56 1.27 5.24 28.24 1.13 0.00 0.23 0.33 2 D C C 95.33 2.29 9.47 12.90 105.89 -108.20 -78.67 69.69 56.60 0.71 42.69 43.91 4.90 6.06 42.74 1.74 0.00 0.27 0.38 3 L H H 115.47 2.21 9.10 12.67 94.33 13.77 -65.40 -35.24 9.83 0.10 90.07 4.42 1.64 4.13 86.44 3.25 0.01 0.05 0.05 4 K H H 136.97 1.47 11.27 13.22 92.47 54.24 -66.59 -38.19 6.14 0.07 93.78 1.96 0.94 3.36 89.50 4.15 0.01 0.04 0.03 5 T H H 74.01 2.33 11.57 14.83 93.47 49.76 -66.95 -39.92 5.56 0.08 94.36 1.65 0.86 3.21 89.13 5.05 0.02 0.05 0.03 6 Y H H 126.07 3.14 11.57 16.00 93.32 49.92 -66.47 -38.69 5.33 0.06 94.61 1.38 0.75 3.17 88.87 5.75 0.02 0.03 0.02 7 L H H 100.07 2.89 12.28 16.30 93.44 51.02 -69.53 -34.14 12.93 0.10 86.97 1.91 1.22 9.37 78.17 9.20 0.04 0.05 0.04 8 S H H 71.01 2.63 13.00 16.47 95.17 55.02 -78.65 -18.52 37.67 0.14 62.19 3.02 2.87 31.30 54.88 7.70 0.06 0.07 0.10 9 V C H 81.46 4.46 11.76 17.68 103.91 68.03 -85.76 -3.91 53.31 0.43 46.25 8.10 11.34 34.32 40.38 5.25 0.08 0.15 0.37 10 A H H 58.77 4.01 11.77 17.34 106.00 79.82 -71.19 139.03 39.39 0.28 60.32 14.19 16.46 8.51 58.45 2.13 0.01 0.08 0.16 11 P H H 87.93 2.69 13.06 16.44 94.58 37.16 -64.81 -33.93 18.76 0.13 81.10 6.24 2.88 9.52 78.89 2.34 0.01 0.06 0.07 12 V H H 88.88 2.24 13.56 16.15 93.71 51.13 -66.53 -40.19 6.88 0.13 92.99 2.67 0.90 3.30 91.13 1.88 0.01 0.07 0.04 13 L H H 85.30 3.19 13.48 17.78 92.81 50.55 -65.40 -40.45 1.83 0.03 98.14 0.92 0.21 0.66 97.57 0.61 0.00 0.02 0.01 14 S H H 53.56 3.64 13.27 18.34 92.35 51.17 -64.41 -40.54 0.97 0.02 99.01 0.44 0.09 0.38 98.84 0.24 0.00 0.01 0.00 15 T H H 79.33 2.03 14.96 16.95 92.49 50.79 -65.11 -40.49 0.38 0.01 99.62 0.11 0.03 0.18 99.54 0.13 0.00 0.00 0.00 16 L H H 99.49 1.77 14.98 16.46 92.25 49.65 -65.05 -41.30 0.28 0.00 99.71 0.07 0.02 0.15 99.64 0.11 0.00 0.00 0.00 17 W H H 139.53 2.74 14.35 17.81 92.27 49.29 -65.65 -41.22 0.50 0.01 99.49 0.13 0.04 0.29 99.40 0.13 0.00 0.01 0.00 18 F H H 118.54 2.46 14.62 17.61 92.26 50.04 -64.61 -41.24 0.53 0.01 99.45 0.12 0.05 0.33 99.42 0.08 0.00 0.01 0.00 19 G H H 41.46 1.84 15.18 16.74 92.36 50.58 -64.52 -40.98 0.76 0.01 99.23 0.20 0.08 0.43 99.18 0.10 0.00 0.01 0.00 20 S H H 64.83 2.02 15.25 17.14 92.69 49.52 -65.69 -40.70 0.93 0.01 99.06 0.18 0.07 0.60 99.00 0.14 0.00 0.00 0.00 21 L H H 90.15 2.82 15.22 18.53 92.68 48.75 -65.52 -41.40 1.15 0.01 98.84 0.16 0.08 0.81 98.78 0.16 0.00 0.00 0.00 22 A H H 57.08 2.49 15.16 18.05 91.83 51.46 -64.01 -40.96 0.95 0.00 99.05 0.14 0.07 0.60 99.08 0.11 0.00 0.00 0.00 23 G H H 36.27 2.32 14.94 17.65 91.88 51.50 -63.71 -41.23 0.84 0.00 99.16 0.12 0.05 0.52 99.21 0.10 0.00 0.00 0.00 24 L H H 93.03 2.32 15.24 17.76 92.22 50.14 -65.18 -40.52 0.47 0.00 99.53 0.06 0.02 0.29 99.55 0.07 0.00 0.00 0.00 25 L H H 91.85 2.68 14.77 18.10 92.16 50.36 -64.72 -41.20 0.28 0.00 99.72 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 26 I H H 93.45 2.10 14.90 17.02 91.99 49.95 -64.56 -41.33 0.21 0.00 99.79 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 27 E H H 102.60 1.95 14.71 16.66 91.97 50.29 -64.46 -40.94 0.36 0.00 99.64 0.03 0.01 0.24 99.60 0.10 0.00 0.00 0.00 28 I H H 82.50 3.20 13.11 17.45 92.20 49.63 -64.79 -40.44 0.46 0.00 99.54 0.04 0.02 0.33 99.36 0.25 0.00 0.00 0.00 29 N H H 82.22 4.16 11.43 17.23 92.32 51.73 -67.29 -33.99 1.53 0.00 98.47 0.09 0.05 1.29 97.75 0.82 0.00 0.00 0.00 30 R H H 166.61 1.12 12.65 13.48 93.21 50.87 -69.14 -35.74 5.28 0.00 94.72 0.09 0.13 5.30 93.76 0.71 0.00 0.00 0.00 31 L H H 124.23 1.12 12.09 12.75 97.32 39.51 -81.65 -30.61 8.07 0.01 91.92 0.16 0.57 7.50 91.38 0.36 0.01 0.00 0.01 32 F C C 107.49 3.79 8.89 14.48 110.12 30.11 -126.13 75.77 99.38 0.26 0.36 62.79 36.05 0.49 0.28 0.07 0.00 0.06 0.26 33 P C T 93.95 2.84 9.35 14.15 97.27 170.45 -63.73 -28.35 63.76 0.18 36.07 5.32 3.66 53.94 5.04 31.82 0.00 0.09 0.13 34 D C T 117.68 1.16 11.63 12.89 95.93 54.64 -79.70 -3.69 57.61 0.14 42.26 3.35 3.61 49.78 7.37 35.71 0.00 0.07 0.11 35 A H G 55.13 5.75 8.51 16.15 98.46 88.47 -75.51 -18.20 36.98 0.46 62.56 17.54 5.40 13.03 7.04 56.60 0.00 0.24 0.15 36 L C G 115.26 3.16 10.07 14.83 96.11 74.82 -76.16 -13.18 51.29 1.04 47.67 15.82 10.47 25.22 6.97 40.49 0.01 0.53 0.49 37 T C G 104.85 1.65 10.91 13.34 107.53 60.51 -98.65 36.49 55.92 2.66 41.42 19.96 12.03 24.92 6.05 34.44 0.03 1.18 1.37 38 F C C 122.03 4.46 7.34 13.84 117.18 112.08 -94.72 136.09 83.14 1.79 15.06 46.19 30.59 7.11 5.08 9.10 0.00 0.78 1.14 39 P C C 101.27 2.11 9.44 13.04 110.96 -113.80 -70.26 142.33 74.41 1.17 24.42 46.56 10.69 15.93 4.92 20.76 0.00 0.68 0.46 40 F C C 159.04 2.22 7.68 11.62 109.53 -131.86 -88.91 108.09 64.89 1.72 33.39 33.72 11.36 19.58 5.24 28.46 0.00 0.87 0.77 41 F C C 157.65 2.04 7.05 10.84 111.16 -151.12 -96.19 114.44 68.13 2.34 29.53 39.20 12.01 16.54 4.81 25.25 0.00 1.27 0.92 42 S C C 90.34 1.57 7.21 10.41 112.78 -160.33 -97.56 117.09 82.81 1.64 15.55 67.99 2.78 13.49 3.34 10.71 0.00 0.99 0.70 43 F C C 153.96 2.91 8.77 13.49 107.28 -161.79 -92.03 71.37 99.94 0.05 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.00