# 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 126.57 3.69 10.07 15.58 116.91 -141.51 -92.89 134.74 99.96 0.03 0.00 99.83 0.13 0.02 0.00 0.00 0.00 0.01 0.00 1 P C C 102.28 2.61 9.21 13.63 113.52 -107.58 -67.83 146.94 97.35 0.68 1.97 94.88 0.64 2.45 0.86 0.56 0.00 0.31 0.31 2 V C C 120.26 1.94 7.83 11.71 115.15 -125.90 -90.74 132.29 89.97 5.79 4.24 77.10 8.55 4.10 2.07 2.03 0.00 3.10 3.06 3 I C C 105.51 4.93 7.75 14.60 117.11 -144.48 -97.76 133.90 86.05 7.77 6.18 72.31 9.77 3.80 3.24 2.88 0.00 4.95 3.05 4 N C C 99.42 2.59 11.24 15.02 110.94 -140.64 -94.11 118.92 88.71 4.93 6.36 80.00 5.62 3.33 3.31 2.74 0.00 2.90 2.10 5 I H G 94.81 8.09 7.58 16.83 94.86 -154.41 -68.11 -23.61 45.49 1.93 52.58 28.68 6.35 10.55 6.71 46.01 0.00 1.18 0.53 6 E H G 154.07 1.15 11.30 12.85 93.01 66.65 -68.23 -23.62 44.18 0.98 54.84 8.75 7.97 27.33 6.14 48.82 0.01 0.56 0.42 7 D H G 121.86 0.84 11.61 11.94 96.58 49.74 -92.13 -0.38 43.28 0.92 55.80 11.13 8.22 24.22 4.84 50.71 0.01 0.50 0.36 8 L C C 56.11 10.19 5.86 16.59 120.29 96.82 -86.51 147.09 92.31 1.18 6.51 60.76 29.45 2.25 4.64 1.50 0.00 0.32 1.07 9 T C C 77.02 1.88 13.38 15.34 117.94 -116.61 -74.46 161.17 92.07 0.95 6.97 84.45 5.04 2.38 6.19 0.95 0.00 0.33 0.67 10 E H H 133.94 2.71 11.41 15.61 93.35 -104.40 -60.56 -38.81 19.54 0.28 80.18 10.92 6.36 3.60 77.78 1.13 0.01 0.09 0.12 11 K H H 132.41 2.14 12.83 15.53 92.24 52.56 -64.80 -40.03 4.97 0.04 95.00 1.73 0.87 2.36 93.96 1.05 0.01 0.02 0.02 12 D H H 79.81 2.31 13.94 16.75 92.04 49.29 -65.75 -40.04 3.43 0.05 96.52 1.58 0.47 1.51 95.28 1.12 0.00 0.03 0.01 13 K H H 98.42 3.83 13.94 19.02 92.04 50.42 -64.78 -41.09 1.47 0.02 98.52 0.64 0.19 0.61 98.01 0.53 0.00 0.01 0.00 14 L H H 74.03 4.36 14.15 19.97 91.90 50.17 -64.17 -41.39 1.14 0.01 98.85 0.45 0.11 0.50 98.68 0.25 0.00 0.00 0.00 15 K H H 117.04 2.43 16.51 19.07 91.77 50.43 -64.32 -41.04 0.85 0.01 99.14 0.29 0.07 0.39 99.09 0.15 0.00 0.00 0.00 16 M H H 93.74 2.72 16.64 19.54 91.93 50.03 -64.87 -41.20 0.69 0.00 99.30 0.22 0.06 0.32 99.28 0.11 0.00 0.00 0.00 17 E H H 86.19 4.50 16.42 21.89 91.95 50.63 -64.46 -41.53 0.57 0.00 99.42 0.15 0.05 0.29 99.42 0.09 0.00 0.00 0.00 18 V H H 64.05 4.86 15.75 21.89 91.97 49.89 -64.28 -41.88 0.58 0.00 99.42 0.14 0.05 0.30 99.42 0.09 0.00 0.00 0.00 19 D H H 77.18 2.22 17.37 19.21 91.67 50.52 -64.26 -40.88 0.84 0.00 99.15 0.19 0.06 0.47 99.15 0.13 0.00 0.00 0.00 20 Q H H 90.90 2.58 16.13 18.95 91.91 50.41 -64.67 -40.78 1.47 0.01 98.52 0.27 0.11 0.91 98.41 0.30 0.00 0.00 0.00 21 L H H 72.87 5.70 13.81 20.91 92.11 50.86 -65.25 -40.18 2.03 0.01 97.96 0.44 0.19 1.20 97.41 0.75 0.00 0.00 0.00 22 K H H 117.53 3.61 14.57 19.28 91.98 52.04 -64.72 -39.09 4.44 0.03 95.54 0.83 0.39 2.96 94.39 1.39 0.01 0.01 0.01 23 K H H 138.88 1.30 15.65 16.07 92.70 50.82 -67.22 -37.19 11.68 0.06 88.26 1.38 1.08 8.89 86.78 1.78 0.03 0.03 0.03 24 E H H 111.32 2.87 13.88 17.39 94.36 48.72 -73.36 -32.28 25.29 0.24 74.47 5.32 3.80 16.17 72.60 1.85 0.04 0.09 0.13 25 V C H 65.84 7.47 9.94 18.93 100.44 59.19 -79.83 -20.95 55.19 1.09 43.72 32.76 9.56 12.30 41.92 2.49 0.01 0.42 0.54 26 T C C 90.52 2.43 13.46 16.56 99.07 71.43 -73.70 -23.08 65.12 1.13 33.76 44.75 6.22 11.89 33.45 2.69 0.00 0.52 0.49 27 L C H 101.85 3.10 12.19 16.37 97.15 70.87 -72.30 -33.46 55.77 1.21 43.03 33.21 12.56 9.72 39.92 3.56 0.01 0.54 0.48 28 E C H 115.70 3.12 13.20 17.27 96.78 54.06 -72.18 -32.77 51.87 1.08 47.04 38.63 5.05 7.22 45.09 3.10 0.00 0.54 0.36 29 R H H 130.72 4.76 12.39 18.56 95.05 62.35 -67.38 -35.43 32.62 0.94 66.44 22.39 4.73 6.32 62.29 3.49 0.01 0.49 0.30 30 M H H 103.10 3.12 14.55 18.45 93.83 56.35 -66.86 -38.46 22.29 0.81 76.90 15.18 3.40 4.57 73.40 2.77 0.01 0.48 0.20 31 L H H 86.59 3.51 15.66 19.83 93.50 52.01 -67.14 -39.19 17.00 0.83 82.17 12.02 2.36 3.76 78.65 2.49 0.01 0.51 0.20 32 V H H 67.62 6.04 14.54 21.96 93.07 51.29 -66.03 -40.94 10.24 0.36 89.40 6.00 1.63 3.24 87.02 1.79 0.01 0.20 0.11 33 S H H 52.88 4.30 16.06 21.42 92.66 51.01 -65.19 -40.64 9.62 0.25 90.13 5.09 1.41 3.51 88.28 1.48 0.01 0.13 0.09 34 K H H 119.29 2.04 18.66 19.89 92.53 49.75 -65.64 -41.15 7.52 0.13 92.35 2.96 1.16 3.53 91.10 1.13 0.01 0.06 0.06 35 C H H 54.61 4.55 16.58 22.31 92.16 49.55 -64.82 -41.51 6.95 0.09 92.96 2.92 0.94 3.03 92.27 0.76 0.00 0.04 0.04 36 C H H 45.68 7.17 15.11 24.02 92.07 50.98 -63.73 -41.17 2.58 0.01 97.41 1.19 0.29 0.94 97.30 0.28 0.00 0.00 0.01 37 E H H 104.66 2.52 18.49 20.74 91.79 50.73 -64.20 -41.07 0.57 0.00 99.43 0.18 0.05 0.25 99.43 0.09 0.00 0.00 0.00 38 E H H 102.27 2.35 18.15 20.00 91.82 50.10 -64.65 -41.13 0.38 0.00 99.62 0.09 0.03 0.18 99.64 0.06 0.00 0.00 0.00 39 F H H 84.57 7.40 15.68 24.28 91.88 49.96 -64.47 -41.68 0.24 0.00 99.76 0.04 0.01 0.12 99.79 0.03 0.00 0.00 0.00 40 R H H 110.54 6.06 16.44 23.56 91.57 51.14 -62.83 -41.72 0.12 0.00 99.88 0.01 0.01 0.06 99.90 0.01 0.00 0.00 0.00 41 D H H 83.77 1.60 18.42 18.53 91.65 49.82 -64.03 -41.37 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 42 Y H H 99.32 3.80 16.40 21.08 91.81 49.68 -63.98 -42.20 0.19 0.00 99.81 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 43 V H H 42.17 10.53 12.07 23.97 92.10 49.77 -64.62 -41.22 0.25 0.00 99.75 0.02 0.01 0.18 99.72 0.06 0.00 0.00 0.00 44 E H H 121.74 2.62 15.18 18.50 91.83 49.93 -65.38 -38.90 0.94 0.00 99.06 0.03 0.03 0.86 98.89 0.19 0.00 0.00 0.00 45 E H H 144.33 0.85 16.14 15.03 92.80 47.97 -70.70 -30.49 7.84 0.00 92.16 0.08 0.18 8.18 91.15 0.41 0.00 0.00 0.00 46 R H H 113.69 5.44 12.55 19.66 101.28 32.87 -111.45 7.91 44.80 0.05 55.16 1.68 2.15 39.61 55.02 1.46 0.01 0.01 0.05 47 S H G 43.76 11.64 9.25 21.61 93.54 112.42 -59.95 -34.85 28.11 0.12 71.77 2.65 1.60 20.60 2.08 72.96 0.00 0.07 0.03 48 G H G 58.47 1.65 14.61 16.70 92.19 54.55 -70.12 -16.58 29.35 0.05 70.60 0.63 1.09 24.56 1.01 72.67 0.00 0.03 0.01 49 E H G 142.33 1.46 15.20 16.29 97.92 49.31 -99.27 -5.36 25.80 0.13 74.07 2.29 2.79 16.49 0.89 77.46 0.00 0.07 0.03 50 D C C 39.43 12.63 8.10 21.42 110.52 97.41 -86.40 119.06 99.22 0.64 0.14 63.79 35.05 0.20 0.07 0.05 0.00 0.11 0.74 51 P C T 92.12 3.47 14.99 19.91 91.60 -152.20 -64.33 -24.90 67.62 0.12 32.26 1.02 2.89 63.65 2.29 30.01 0.00 0.06 0.08 52 L C T 89.35 7.53 14.27 23.01 92.18 64.87 -73.81 -18.11 70.32 0.18 29.50 0.59 2.68 68.12 1.77 26.65 0.00 0.08 0.11 53 V C T 49.95 12.79 11.49 24.69 99.87 47.02 -99.68 0.33 62.70 3.10 34.20 5.97 8.38 47.90 2.60 31.33 0.22 1.48 2.11 54 K C T 128.22 4.64 13.73 20.30 109.68 111.35 -71.63 125.67 89.79 2.88 7.33 13.03 10.70 65.78 2.32 4.86 0.02 1.42 1.86 55 G C T 54.67 2.55 15.50 18.60 99.22 11.35 82.69 0.05 98.05 0.67 1.29 14.10 16.91 66.81 0.18 1.34 0.00 0.35 0.32 56 I C C 55.01 11.76 8.33 20.85 116.04 122.36 -90.31 132.64 98.35 1.52 0.13 64.60 33.33 0.34 0.05 0.07 0.00 0.43 1.17 57 P C C 71.46 2.60 15.20 18.22 113.10 -110.58 -66.55 144.53 97.99 1.81 0.21 97.00 0.82 0.20 0.06 0.07 0.00 0.44 1.39 58 E C G 125.78 6.79 9.13 17.58 92.32 -123.27 -60.35 -31.86 54.71 0.37 44.93 2.88 5.34 42.09 1.02 48.31 0.00 0.19 0.16 59 D C G 128.90 0.61 13.19 12.55 93.15 59.34 -74.04 -12.72 54.81 0.21 44.99 1.33 3.62 45.74 0.87 48.24 0.00 0.11 0.08 60 K H G 134.12 2.67 12.78 16.39 100.43 49.21 -99.20 -6.04 48.81 0.95 50.24 5.83 9.52 30.84 1.39 51.50 0.00 0.43 0.49 61 N C C 40.30 11.84 8.35 21.11 112.15 74.32 -105.10 110.42 98.89 0.88 0.22 78.68 19.56 0.44 0.10 0.11 0.00 0.22 0.87 62 P C T 77.34 4.94 14.14 21.02 92.42 -152.78 -66.56 -21.00 72.58 0.19 27.23 3.35 4.69 64.83 7.68 19.19 0.00 0.09 0.17 63 F C T 89.64 9.66 11.59 22.33 94.85 61.03 -83.20 -8.76 68.21 0.37 31.42 3.27 4.63 59.75 10.70 21.08 0.03 0.18 0.36 64 K H G 115.09 6.53 11.96 19.98 94.35 79.15 -68.12 -23.66 44.47 1.40 54.13 16.98 9.19 18.81 16.66 36.89 0.02 0.68 0.76 65 E C G 140.92 1.91 13.55 15.99 96.40 62.59 -77.38 -13.75 51.64 2.24 46.12 23.64 9.35 19.03 17.26 28.44 0.03 1.15 1.10 66 L C C 91.30 6.75 10.29 18.48 106.48 68.77 -90.03 72.59 60.96 3.87 35.17 28.72 15.03 18.24 13.41 20.55 0.09 1.82 2.14 67 K C T 152.48 2.65 12.53 16.72 108.16 -131.32 -81.65 108.14 80.09 2.62 17.29 22.16 18.39 40.27 7.70 8.73 0.03 1.30 1.42 68 G C T 50.13 3.79 13.59 18.65 107.96 1.94 92.34 -3.12 90.99 2.47 6.54 22.78 25.49 43.03 1.30 5.09 0.00 1.51 0.80 69 G C C 36.00 6.94 13.90 22.13 123.87 -110.96 103.94 -175.33 85.21 11.44 3.35 49.85 23.36 12.23 0.60 3.05 0.00 8.32 2.58 70 C C C 58.75 12.45 11.17 23.77 121.14 -79.50 -107.32 138.43 63.58 34.63 1.79 48.14 10.97 3.79 0.53 1.42 0.00 30.11 5.03 71 V E E 91.49 5.01 14.72 21.39 121.14 -159.21 -112.05 135.20 42.35 56.84 0.81 34.89 4.96 1.31 0.40 0.52 0.00 50.87 7.03 72 I C C 103.29 7.83 10.73 19.96 115.20 -154.08 -98.67 127.29 50.28 49.30 0.42 47.94 1.04 0.70 0.23 0.19 0.00 44.44 5.46 73 S C C 69.18 5.12 14.48 20.93 123.50 -170.46 -113.94 148.47 98.36 1.63 0.01 98.37 0.09 0.02 0.00 0.00 0.00 1.49 0.03