# 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 131.46 3.11 10.04 14.76 114.43 -153.79 -87.78 131.55 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00 1 V C C 111.09 2.41 8.47 12.62 113.58 -140.35 -90.85 134.48 87.66 1.07 11.27 83.82 1.01 3.10 10.13 0.91 0.00 0.41 0.63 2 A C C 73.29 2.95 8.40 13.16 114.70 -111.54 -80.96 146.72 70.74 0.67 28.59 52.09 8.82 8.26 27.50 2.68 0.00 0.28 0.37 3 P C C 91.18 3.25 9.35 14.19 107.79 -105.11 -71.26 145.41 62.11 0.43 37.46 45.66 5.77 8.90 36.40 2.86 0.00 0.18 0.23 4 T H H 86.40 2.77 10.20 14.26 106.91 -125.15 -78.67 149.45 31.55 0.34 68.11 22.08 4.69 5.49 64.74 2.71 0.00 0.13 0.16 5 L H H 115.49 1.69 10.98 13.12 94.35 -42.58 -65.48 -37.22 10.06 0.11 89.83 4.89 1.92 3.72 87.56 1.80 0.01 0.05 0.05 6 T H H 80.08 2.06 12.12 14.84 92.98 51.99 -65.99 -39.59 5.86 0.06 94.08 2.89 0.88 2.26 92.64 1.27 0.01 0.03 0.02 7 A H H 51.50 3.88 11.79 17.38 92.42 51.61 -65.22 -40.00 2.38 0.03 97.60 1.04 0.35 0.99 96.86 0.73 0.00 0.01 0.01 8 R H H 137.09 2.09 13.84 16.30 92.45 50.29 -65.29 -40.64 1.65 0.03 98.32 0.56 0.22 0.86 97.69 0.64 0.01 0.01 0.01 9 L H H 93.18 1.93 14.09 16.03 92.25 49.82 -65.05 -41.49 1.65 0.03 98.32 0.46 0.20 0.95 97.69 0.67 0.01 0.01 0.01 10 Y H H 116.23 3.07 13.06 17.25 92.71 49.09 -66.21 -40.29 2.85 0.04 97.10 0.73 0.35 1.75 96.21 0.90 0.02 0.02 0.02 11 S H H 56.84 3.51 12.78 17.61 92.83 51.17 -65.91 -39.10 6.15 0.04 93.81 0.69 0.53 4.96 92.57 1.16 0.05 0.01 0.02 12 L H H 99.83 1.88 13.86 15.72 93.64 46.99 -69.72 -40.35 13.92 0.07 86.02 0.59 1.09 12.89 83.58 1.65 0.14 0.02 0.05 13 L H H 101.07 2.28 13.30 15.94 96.98 40.70 -77.53 -40.08 38.37 0.20 61.43 1.06 3.01 34.55 57.54 3.19 0.40 0.07 0.18 14 F C H 117.81 3.70 11.81 16.83 98.40 38.53 -85.85 -27.05 50.97 0.48 48.54 3.53 6.14 40.54 40.60 8.26 0.32 0.21 0.40 15 R C T 147.95 2.77 12.56 16.35 95.34 60.95 -72.64 -26.42 59.38 1.03 39.59 10.23 12.57 36.68 28.69 10.43 0.20 0.46 0.74 16 R C C 147.13 2.62 12.22 15.79 104.22 53.96 -93.08 32.15 66.11 1.78 32.11 27.64 15.30 24.41 21.77 8.98 0.06 0.73 1.12 17 T H H 73.33 4.75 11.22 17.58 109.71 91.87 -83.27 142.48 48.27 1.17 50.55 31.46 12.25 5.26 47.80 2.19 0.01 0.38 0.64 18 S H H 73.89 2.59 13.06 16.33 94.82 -102.66 -66.67 -34.30 14.82 0.16 85.02 5.59 2.95 6.75 82.48 2.07 0.02 0.07 0.07 19 T H H 76.35 2.88 13.91 17.40 93.60 54.02 -66.33 -39.84 6.99 0.09 92.92 2.63 0.98 3.28 91.61 1.42 0.01 0.04 0.03 20 F H H 102.39 4.57 13.16 19.24 92.59 50.66 -65.80 -40.03 2.29 0.02 97.69 0.87 0.28 1.01 96.99 0.84 0.00 0.01 0.01 21 A H H 57.28 3.53 14.08 18.61 91.88 51.88 -63.99 -41.03 0.97 0.00 99.03 0.31 0.09 0.44 98.86 0.30 0.00 0.00 0.00 22 L H H 99.20 1.89 15.48 17.09 92.02 50.47 -65.38 -40.06 0.69 0.00 99.31 0.15 0.05 0.38 99.21 0.21 0.00 0.00 0.00 23 T H H 73.24 2.62 14.97 18.10 92.50 49.81 -65.46 -41.17 0.65 0.00 99.35 0.10 0.04 0.41 99.30 0.15 0.00 0.00 0.00 24 I H H 89.60 3.54 14.73 19.12 92.28 49.01 -65.08 -42.05 0.67 0.00 99.33 0.06 0.04 0.47 99.33 0.10 0.00 0.00 0.00 25 V H H 84.37 2.49 15.95 18.53 92.04 48.84 -64.45 -42.24 0.66 0.00 99.33 0.07 0.04 0.46 99.34 0.08 0.00 0.00 0.00 26 V H H 82.41 1.82 16.63 17.77 91.78 49.49 -64.12 -42.21 0.43 0.00 99.57 0.06 0.03 0.26 99.59 0.06 0.00 0.00 0.00 27 G H H 32.93 2.80 15.53 19.01 91.85 50.46 -63.57 -41.63 0.36 0.00 99.64 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 28 A H H 51.15 3.21 14.98 19.11 91.65 50.58 -63.59 -41.54 0.21 0.00 99.79 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 29 L H H 92.12 2.26 15.87 18.11 91.77 50.16 -64.23 -41.95 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 30 F H H 124.60 1.57 16.24 16.96 91.82 49.95 -64.22 -41.95 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 31 F H H 120.00 1.87 15.66 17.20 92.01 49.38 -64.78 -41.27 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 32 E H H 98.66 3.04 14.93 18.74 91.83 50.64 -64.28 -41.01 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 33 R H H 130.01 2.30 15.69 18.09 91.80 50.00 -64.76 -41.01 0.32 0.00 99.68 0.03 0.01 0.22 99.67 0.06 0.00 0.00 0.00 34 A H H 60.21 1.86 16.20 17.55 91.84 50.37 -63.94 -41.83 0.54 0.00 99.46 0.06 0.03 0.37 99.45 0.10 0.00 0.00 0.00 35 F H H 119.74 1.92 16.18 17.69 92.02 49.17 -64.91 -41.39 0.78 0.00 99.22 0.11 0.06 0.50 99.20 0.13 0.00 0.00 0.00 36 D H H 74.38 3.42 14.96 19.35 92.08 50.07 -64.44 -41.27 0.92 0.00 99.08 0.14 0.06 0.57 99.10 0.12 0.00 0.00 0.00 37 Q H H 105.55 2.09 16.34 18.23 91.93 49.62 -64.91 -41.11 0.96 0.00 99.04 0.10 0.06 0.66 99.05 0.13 0.00 0.00 0.00 38 G H H 39.53 1.79 16.73 17.78 91.90 49.95 -64.23 -41.42 1.26 0.00 98.74 0.15 0.08 0.84 98.76 0.16 0.00 0.00 0.00 39 A H H 54.42 2.65 15.58 18.72 91.84 50.21 -64.48 -41.19 1.02 0.00 98.98 0.13 0.07 0.64 99.00 0.16 0.00 0.00 0.00 40 D H H 74.97 3.33 15.39 19.58 91.91 50.78 -64.58 -40.63 0.86 0.00 99.14 0.10 0.05 0.54 99.17 0.14 0.00 0.00 0.00 41 A H H 57.11 2.21 15.57 17.88 91.72 51.15 -63.69 -41.56 1.01 0.00 98.99 0.10 0.06 0.68 99.00 0.16 0.00 0.00 0.00 42 I H H 97.98 1.55 15.91 16.57 91.57 49.22 -63.94 -42.37 0.82 0.00 99.17 0.09 0.05 0.57 99.11 0.17 0.00 0.00 0.00 43 Y H H 118.09 2.73 14.06 17.60 92.12 49.16 -64.65 -41.38 0.68 0.00 99.32 0.09 0.05 0.43 99.13 0.29 0.00 0.00 0.00 44 E H H 95.80 3.80 12.79 18.02 91.88 51.17 -64.70 -39.67 1.28 0.00 98.72 0.14 0.08 0.92 98.23 0.63 0.00 0.00 0.00 45 H H H 134.87 1.17 14.40 14.79 92.54 48.90 -68.03 -39.14 2.87 0.01 97.13 0.23 0.19 2.30 96.39 0.88 0.00 0.00 0.00 46 I H H 114.45 1.47 13.97 14.92 94.72 45.48 -73.72 -33.58 10.13 0.02 89.85 0.60 0.81 8.59 89.06 0.91 0.02 0.01 0.01 47 N H H 78.44 4.96 10.48 17.28 99.54 44.19 -97.85 1.89 49.06 0.29 50.65 8.63 5.10 34.48 49.70 1.79 0.02 0.10 0.19 48 E C H 118.86 3.63 11.77 17.03 100.72 122.78 -63.52 16.88 53.16 0.45 46.40 11.41 6.80 35.01 40.53 5.72 0.04 0.18 0.31 49 G C H 48.73 2.49 13.89 16.90 97.82 16.32 63.75 -17.87 50.52 0.27 49.21 8.32 6.94 35.04 40.89 8.47 0.04 0.11 0.20 50 K H H 124.80 2.27 13.61 16.26 95.73 64.96 -76.85 -24.08 37.13 0.33 62.55 11.70 6.57 19.20 53.26 8.89 0.03 0.15 0.19 51 L H H 80.44 4.56 12.21 18.42 94.17 63.46 -65.50 -39.80 24.65 0.32 75.02 9.65 4.29 11.33 68.64 5.73 0.03 0.16 0.17 52 W H H 138.07 3.05 13.17 17.27 92.30 51.66 -64.98 -40.16 6.51 0.07 93.42 2.54 0.94 3.14 89.84 3.48 0.00 0.04 0.02 53 K H H 124.94 1.52 15.07 16.11 91.98 51.63 -64.93 -40.57 3.64 0.03 96.32 0.94 0.40 2.20 93.36 3.07 0.00 0.02 0.01 54 H H H 104.90 2.15 14.33 16.67 92.30 49.69 -65.38 -40.76 4.96 0.03 95.01 1.00 0.50 3.33 92.13 3.01 0.01 0.02 0.01 55 I H H 80.24 3.21 13.28 17.64 92.27 49.32 -65.29 -41.68 4.09 0.03 95.87 1.16 0.52 2.30 94.42 1.56 0.01 0.01 0.01 56 K H H 108.33 2.33 13.74 16.76 91.66 51.66 -63.68 -41.24 2.20 0.01 97.78 0.63 0.24 1.20 96.51 1.41 0.00 0.01 0.00 57 H H H 106.59 1.59 13.72 15.13 91.90 50.27 -64.34 -40.73 2.78 0.02 97.21 0.57 0.27 1.78 95.35 2.02 0.00 0.01 0.00 58 K H H 116.39 1.76 12.88 14.85 91.98 50.33 -65.41 -39.63 3.92 0.02 96.06 0.85 0.44 2.44 94.09 2.14 0.01 0.01 0.01 59 Y H H 125.66 2.55 10.63 14.43 92.76 49.43 -67.69 -37.52 7.72 0.08 92.20 2.36 1.18 4.29 90.23 1.86 0.01 0.04 0.03 60 E H H 128.03 1.52 10.12 12.33 93.46 52.65 -69.07 -32.41 15.11 0.12 84.78 4.18 2.22 8.71 82.87 1.89 0.02 0.05 0.06 61 N H H 125.22 0.95 9.47 10.60 96.45 52.45 -79.09 -12.74 33.79 0.17 66.05 8.94 4.15 20.43 64.54 1.75 0.01 0.05 0.11 62 K C H 149.12 1.77 7.69 10.89 102.56 73.60 -83.44 8.71 64.14 0.17 35.69 36.59 1.88 23.01 37.08 1.28 0.00 0.06 0.12 63 E C C 145.77 1.93 10.18 13.49 106.83 101.17 -81.34 104.76 99.94 0.01 0.05 99.80 0.06 0.10 0.03 0.00 0.00 0.00 0.00