# 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 128.37 3.79 11.72 17.19 116.23 -160.94 -95.59 132.89 99.85 0.14 0.01 99.81 0.07 0.02 0.00 0.00 0.00 0.08 0.01 1 S C C 68.76 5.93 9.07 16.74 118.48 -149.47 -98.04 141.43 82.68 16.96 0.37 81.66 0.66 0.58 0.09 0.16 0.00 15.92 0.93 2 K E E 146.54 2.53 11.90 16.23 121.82 -158.27 -117.73 139.05 48.60 50.94 0.46 42.45 4.50 0.87 0.14 0.34 0.00 49.17 2.53 3 T E E 68.81 9.48 9.27 19.95 122.51 -160.93 -116.40 137.66 37.66 62.18 0.16 35.77 1.57 0.19 0.05 0.10 0.00 61.25 1.07 4 V E E 98.92 3.00 15.38 19.50 118.07 -154.99 -107.46 129.18 32.96 66.88 0.16 32.36 0.87 0.13 0.08 0.08 0.00 64.36 2.13 5 V C C 63.75 11.97 8.17 20.47 117.32 -147.37 -96.50 131.04 69.52 30.33 0.14 68.63 1.21 0.13 0.06 0.07 0.00 28.20 1.69 6 R C C 137.76 3.04 12.20 16.52 119.06 -138.49 -87.98 152.98 92.56 7.28 0.17 90.22 2.54 0.30 0.05 0.09 0.00 5.08 1.72 7 K C T 171.20 1.10 11.19 12.80 103.80 -93.35 -60.21 108.83 99.12 0.41 0.48 0.94 6.08 92.26 0.05 0.32 0.00 0.27 0.08 8 N C T 142.85 0.54 12.25 11.50 96.93 21.78 24.27 12.01 99.40 0.17 0.43 1.28 5.52 92.69 0.04 0.33 0.00 0.12 0.03 9 E C C 68.45 8.90 7.20 17.49 120.72 122.26 -91.33 147.01 97.81 1.85 0.34 51.52 45.81 0.49 0.13 0.16 0.00 0.61 1.27 10 S C C 61.52 1.88 15.50 16.86 119.37 -116.56 -76.04 160.47 96.44 3.17 0.40 95.14 1.17 0.17 0.27 0.06 0.00 0.74 2.45 11 L H H 96.52 7.37 11.18 20.00 92.15 -109.67 -58.99 -38.21 1.52 0.00 98.48 0.38 0.21 0.76 98.33 0.32 0.00 0.00 0.00 12 E H H 128.62 1.58 15.81 17.02 91.78 53.03 -64.51 -40.66 0.70 0.00 99.29 0.11 0.05 0.42 99.11 0.31 0.00 0.00 0.00 13 D H H 74.04 2.49 16.56 19.10 91.71 48.92 -65.45 -40.49 0.29 0.00 99.71 0.05 0.02 0.16 99.49 0.28 0.00 0.00 0.00 14 A H H 21.21 9.83 12.67 24.73 91.68 51.28 -63.32 -42.31 0.14 0.00 99.86 0.02 0.01 0.07 99.83 0.07 0.00 0.00 0.00 15 L H H 73.75 5.73 16.27 23.06 91.68 49.94 -63.93 -41.27 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 16 R H H 134.80 1.63 18.65 18.99 91.62 50.46 -64.39 -41.82 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 17 R H H 114.71 3.74 17.71 22.00 91.64 49.61 -64.57 -41.52 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 18 F H H 70.59 9.79 15.16 26.08 92.00 49.84 -64.19 -41.70 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 19 K H H 112.86 3.95 17.49 22.22 91.44 50.65 -63.68 -41.12 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 20 R H H 137.34 1.59 18.84 19.00 92.17 49.75 -64.82 -41.38 0.30 0.00 99.69 0.02 0.01 0.19 99.74 0.03 0.00 0.00 0.00 21 S H H 43.52 4.93 16.16 22.45 92.18 49.40 -64.54 -41.30 0.91 0.00 99.09 0.09 0.06 0.60 99.17 0.08 0.00 0.00 0.00 22 V H H 45.58 8.21 12.82 22.89 92.84 48.67 -65.59 -41.49 2.56 0.03 97.41 0.47 0.31 1.55 97.41 0.23 0.01 0.01 0.01 23 S H H 66.36 2.91 14.44 18.23 92.56 50.76 -65.35 -39.27 5.77 0.04 94.19 1.01 0.53 3.89 93.65 0.86 0.02 0.02 0.01 24 K H H 156.37 0.97 15.19 15.11 92.67 51.21 -67.96 -31.99 12.90 0.04 87.07 0.67 0.86 11.12 86.46 0.83 0.02 0.01 0.02 25 T H H 81.61 3.48 12.80 17.34 96.59 47.05 -87.91 -9.67 49.80 0.11 50.09 1.42 5.43 40.92 50.86 1.22 0.04 0.03 0.09 26 G C T 41.78 4.24 14.01 19.65 97.96 -111.56 80.20 6.47 88.52 0.28 11.21 17.40 20.96 48.52 11.78 1.06 0.00 0.09 0.19 27 T H H 59.08 5.50 13.65 20.92 95.08 120.49 -68.57 -35.92 8.04 0.07 91.89 4.97 1.14 1.73 91.46 0.65 0.00 0.02 0.02 28 L H H 71.88 6.49 14.03 22.08 92.66 53.52 -64.32 -41.44 1.92 0.03 98.06 0.69 0.25 0.89 97.55 0.61 0.00 0.01 0.00 29 A H H 56.50 2.65 16.04 19.04 92.00 50.78 -64.22 -40.66 0.78 0.01 99.21 0.26 0.08 0.37 98.77 0.51 0.00 0.01 0.00 30 E H H 99.44 2.48 15.88 18.49 92.11 50.17 -65.50 -40.76 0.61 0.01 99.38 0.15 0.06 0.31 99.14 0.33 0.00 0.00 0.00 31 A H H 44.79 4.66 13.36 19.79 92.16 51.02 -64.14 -41.40 0.99 0.01 99.00 0.20 0.09 0.57 98.81 0.33 0.00 0.00 0.00 32 R H H 127.40 2.67 13.92 17.38 92.42 50.76 -65.08 -39.71 2.27 0.01 97.72 0.43 0.20 1.42 97.37 0.56 0.00 0.00 0.00 33 K H H 125.26 2.07 13.24 15.82 92.75 51.71 -65.88 -38.60 4.95 0.02 95.02 0.82 0.44 3.40 94.10 1.23 0.01 0.01 0.01 34 R H H 149.13 2.26 12.32 15.26 93.52 50.78 -69.01 -36.19 8.66 0.04 91.30 1.29 0.85 6.27 88.95 2.58 0.02 0.02 0.02 35 E H H 133.69 1.68 12.58 14.47 97.01 43.10 -77.45 -32.54 19.95 0.09 79.96 1.74 1.79 16.12 77.09 3.12 0.05 0.04 0.05 36 F H H 136.13 2.32 11.64 14.80 103.42 30.88 -103.43 -13.01 41.62 0.48 57.90 5.47 5.98 30.52 54.14 3.30 0.11 0.20 0.28 37 Y C C 132.81 4.52 9.59 15.91 112.25 56.33 -101.80 109.10 74.65 5.70 19.65 44.34 14.07 15.76 16.29 3.85 0.04 2.61 3.04 38 E C C 109.32 4.72 10.37 16.93 116.33 -151.23 -92.89 135.60 86.98 3.90 9.12 66.05 14.40 5.38 8.43 1.68 0.00 1.84 2.22 39 K C C 121.53 3.58 11.24 16.46 114.67 -118.75 -76.35 143.91 90.93 0.60 8.47 79.31 8.42 2.45 8.38 0.90 0.00 0.26 0.29 40 P H H 89.71 3.43 11.18 16.13 96.79 -109.63 -61.32 -33.39 48.74 0.47 50.80 23.60 6.25 18.47 43.46 7.75 0.01 0.25 0.21 41 S H H 67.81 2.40 11.89 14.99 97.30 58.35 -71.28 -32.34 40.98 0.76 58.26 18.52 6.61 16.52 49.18 8.41 0.03 0.41 0.33 42 V H H 70.25 4.25 10.74 16.81 95.28 57.25 -68.73 -38.04 29.75 1.36 68.89 18.32 6.35 6.85 59.72 7.52 0.02 0.80 0.40 43 K H H 114.34 3.30 12.08 16.67 93.52 55.20 -65.75 -39.83 27.08 1.35 71.58 18.32 4.62 5.62 65.86 4.38 0.01 0.87 0.32 44 R H H 146.44 1.95 12.85 15.16 93.90 51.66 -66.75 -39.19 27.84 1.19 70.97 18.14 4.71 6.21 66.38 3.50 0.01 0.73 0.31 45 K H H 124.41 2.30 12.94 15.82 93.50 51.91 -66.53 -39.23 27.67 0.84 71.48 18.27 4.58 5.49 68.41 2.55 0.01 0.46 0.24 46 K H H 120.16 2.83 12.83 16.63 93.62 52.43 -66.83 -39.36 25.07 0.68 74.24 16.97 3.90 4.83 71.53 2.22 0.00 0.35 0.21 47 K H H 126.93 2.11 13.49 16.04 93.86 52.57 -66.32 -39.04 20.41 0.39 79.20 12.98 3.11 4.81 76.47 2.30 0.00 0.20 0.13 48 S H H 61.01 2.30 13.39 16.09 93.21 50.66 -66.15 -40.41 19.77 0.32 79.91 11.90 3.12 5.39 76.60 2.70 0.00 0.16 0.12 49 E H H 103.85 2.31 13.30 16.13 92.98 50.72 -65.87 -39.85 15.56 0.25 84.20 8.39 2.85 5.09 80.33 3.11 0.01 0.12 0.09 50 A H H 55.05 2.77 11.93 15.99 93.20 52.04 -65.63 -39.41 16.66 0.24 83.10 8.29 2.91 6.10 78.73 3.73 0.01 0.12 0.10 51 A H H 63.64 2.22 10.94 14.20 93.44 53.13 -67.29 -36.62 21.71 0.34 77.96 10.68 3.66 8.09 72.18 5.06 0.01 0.17 0.15 52 R H H 158.44 1.53 10.30 12.51 95.35 55.40 -71.26 -30.61 28.96 0.61 70.43 14.11 5.11 10.80 63.65 5.74 0.03 0.30 0.27 53 K H H 146.11 1.67 9.16 11.93 98.05 60.77 -75.35 -20.38 40.94 1.02 58.03 20.72 6.79 14.59 50.75 6.15 0.03 0.49 0.48 54 R C H 167.68 1.86 8.05 11.38 103.90 79.94 -81.65 16.88 58.82 1.45 39.74 31.83 9.26 17.99 33.69 5.84 0.02 0.67 0.70 55 K C C 159.99 1.30 8.56 10.94 107.01 130.44 -84.19 78.10 78.23 0.93 20.84 59.40 1.70 17.13 17.91 2.89 0.00 0.47 0.50 56 F C C 144.87 3.48 9.15 14.26 108.18 -128.89 -87.52 98.93 99.92 0.03 0.04 99.78 0.08 0.09 0.03 0.00 0.00 0.01 0.00