# 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 100.66 5.93 10.29 17.84 114.70 -158.10 -95.00 125.61 99.82 0.15 0.03 99.82 0.07 0.02 0.02 0.00 0.00 0.06 0.02 1 T C C 81.37 2.51 10.12 13.85 115.22 -145.76 -87.01 153.72 77.01 8.37 14.62 75.17 0.85 1.42 14.60 0.54 0.00 2.22 5.20 2 L H H 125.18 1.50 9.33 11.70 94.34 -115.98 -64.04 -36.54 7.85 0.08 92.07 2.62 1.16 4.10 90.53 1.50 0.01 0.04 0.03 3 F H H 142.93 1.07 10.42 11.47 92.68 52.48 -66.19 -38.43 3.71 0.04 96.26 0.86 0.43 2.27 94.59 1.80 0.01 0.02 0.01 4 Q H H 96.05 2.29 10.75 14.20 92.79 51.81 -66.02 -39.35 2.33 0.03 97.64 0.71 0.28 1.28 95.51 2.19 0.00 0.02 0.01 5 L H H 89.60 2.35 11.27 14.71 92.29 51.91 -64.55 -40.94 1.67 0.02 98.30 0.54 0.19 0.90 97.48 0.87 0.00 0.01 0.01 6 L H H 97.08 1.62 12.98 14.64 92.12 50.09 -64.59 -40.94 1.29 0.01 98.69 0.38 0.13 0.72 98.18 0.59 0.00 0.01 0.00 7 R H H 136.40 1.63 13.14 14.83 92.43 50.36 -65.36 -40.05 1.49 0.01 98.50 0.24 0.10 1.01 97.85 0.79 0.00 0.00 0.00 8 E H H 103.32 2.45 12.91 16.13 92.44 50.39 -65.58 -39.89 3.20 0.01 96.78 0.31 0.20 2.50 96.00 0.98 0.00 0.00 0.00 9 H H H 106.47 2.43 12.70 15.89 92.68 50.94 -65.91 -39.60 7.44 0.02 92.54 0.64 0.50 6.14 91.48 1.20 0.01 0.01 0.01 10 W H H 149.80 1.84 12.97 15.11 92.49 51.45 -65.34 -40.31 5.83 0.04 94.13 0.85 0.54 4.24 89.86 4.47 0.01 0.02 0.02 11 V H H 88.69 2.05 12.80 15.36 92.80 49.25 -66.51 -39.42 5.50 0.02 94.48 0.41 0.34 4.56 87.26 7.40 0.01 0.01 0.01 12 H H H 124.03 1.98 12.75 15.18 94.20 47.69 -72.19 -34.59 11.10 0.03 88.87 0.45 0.55 9.97 82.12 6.85 0.03 0.01 0.02 13 I H H 105.27 2.04 12.80 15.26 96.20 46.56 -75.50 -36.70 29.45 0.14 70.41 1.55 2.68 25.01 66.27 4.19 0.13 0.06 0.10 14 L H H 101.72 2.15 12.84 15.49 95.81 48.07 -74.06 -33.27 31.55 0.69 67.76 8.95 7.64 16.86 61.76 4.00 0.12 0.29 0.39 15 V H H 81.49 2.79 12.47 16.29 96.40 62.73 -68.72 -41.68 31.16 0.53 68.31 13.07 5.25 13.86 61.04 6.25 0.03 0.28 0.24 16 P H H 81.55 2.21 14.00 16.46 94.51 48.96 -66.22 -38.43 28.24 0.47 71.29 13.87 3.04 11.98 64.58 6.05 0.01 0.26 0.20 17 A H H 64.77 2.18 13.82 16.35 93.27 52.03 -65.93 -39.44 10.23 0.11 89.67 3.97 1.39 4.93 84.08 5.53 0.01 0.05 0.05 18 G H H 38.93 2.49 13.85 17.04 92.63 51.61 -64.84 -40.74 4.71 0.03 95.26 1.15 0.50 2.94 93.27 2.10 0.00 0.01 0.01 19 F H H 123.32 1.95 14.44 16.50 92.51 50.38 -65.76 -40.92 1.86 0.02 98.13 0.42 0.18 1.16 96.89 1.33 0.00 0.01 0.00 20 V H H 83.37 2.26 14.70 17.26 92.17 49.17 -64.97 -42.07 0.72 0.01 99.27 0.16 0.07 0.43 98.88 0.46 0.00 0.00 0.00 21 F H H 118.23 1.85 15.41 16.97 92.03 48.99 -64.54 -41.57 0.36 0.00 99.64 0.06 0.03 0.22 99.50 0.19 0.00 0.00 0.00 22 G H H 33.98 2.57 14.58 17.92 91.82 50.83 -63.11 -41.73 0.40 0.00 99.60 0.05 0.02 0.26 99.53 0.14 0.00 0.00 0.00 23 C H H 67.14 2.43 14.84 17.70 91.98 49.94 -64.47 -41.70 0.45 0.00 99.55 0.05 0.02 0.32 99.47 0.14 0.00 0.00 0.00 24 Y H H 125.87 2.05 15.26 17.29 92.05 49.80 -64.30 -41.84 0.69 0.00 99.31 0.08 0.04 0.49 99.19 0.19 0.00 0.00 0.00 25 L H H 92.97 1.79 15.27 16.74 91.86 49.44 -64.79 -41.06 1.21 0.00 98.79 0.18 0.08 0.84 98.56 0.33 0.00 0.00 0.00 26 D H H 79.84 2.18 14.96 17.31 91.93 50.68 -64.81 -40.52 3.25 0.01 96.74 0.48 0.24 2.32 96.50 0.45 0.00 0.00 0.00 27 R H H 133.61 2.03 15.18 17.17 92.14 49.75 -65.26 -40.09 5.46 0.02 94.53 0.96 0.50 3.72 94.13 0.67 0.00 0.00 0.01 28 K H H 113.50 2.00 15.34 17.27 91.94 50.97 -64.63 -40.65 6.99 0.03 92.98 1.83 0.85 4.01 92.43 0.84 0.01 0.01 0.02 29 D H H 79.76 2.26 14.94 17.42 91.89 50.18 -65.02 -40.33 8.35 0.04 91.61 2.95 0.98 4.01 91.16 0.85 0.00 0.01 0.02 30 D H H 80.30 2.39 14.80 17.51 92.15 50.48 -65.20 -40.59 5.04 0.02 94.94 1.77 0.66 2.33 94.40 0.82 0.00 0.01 0.01 31 E H H 111.41 1.74 15.31 16.63 92.07 50.10 -65.09 -40.51 2.64 0.01 97.35 0.70 0.32 1.43 96.78 0.75 0.00 0.01 0.00 32 K H H 120.22 1.92 15.37 17.17 92.13 49.94 -64.91 -40.81 2.46 0.02 97.53 0.57 0.28 1.45 96.72 0.97 0.01 0.01 0.00 33 L H H 85.64 2.95 14.08 17.99 92.15 50.25 -64.98 -40.32 2.91 0.02 97.07 0.59 0.29 1.82 95.87 1.42 0.01 0.01 0.00 34 T H H 72.43 2.25 14.96 17.39 91.93 50.58 -64.70 -40.59 5.17 0.02 94.80 0.85 0.50 3.53 92.91 2.18 0.01 0.01 0.01 35 A H H 60.92 2.01 14.89 16.90 92.25 51.38 -65.21 -39.85 11.53 0.04 88.43 1.19 0.95 9.00 85.77 3.03 0.02 0.02 0.02 36 F H H 111.83 3.03 13.52 17.47 94.18 48.91 -69.55 -36.94 21.02 0.20 78.77 4.78 2.95 13.82 73.52 4.68 0.05 0.09 0.12 37 R H H 131.44 3.41 12.80 17.53 93.16 56.71 -65.05 -37.26 27.70 0.44 71.87 8.36 4.25 15.88 65.65 5.37 0.06 0.19 0.24 38 N H H 102.17 1.93 13.71 15.74 95.75 52.73 -73.84 -23.83 37.43 0.51 62.06 12.59 5.49 20.12 55.64 5.61 0.04 0.22 0.30 39 K H H 119.93 2.56 12.91 16.15 95.33 59.45 -72.78 -31.92 33.41 0.60 65.99 11.41 7.48 15.85 57.09 7.49 0.08 0.27 0.32 40 S H H 46.11 5.64 10.16 17.72 96.01 57.86 -73.48 -28.62 31.98 0.98 67.04 14.65 5.68 13.10 56.00 9.50 0.08 0.49 0.49 41 M H H 122.45 2.14 11.16 14.35 93.61 59.16 -68.23 -34.38 26.50 0.54 72.97 5.97 3.91 15.43 53.62 20.39 0.13 0.29 0.27 42 L H H 126.38 1.29 10.86 12.42 94.68 51.18 -72.03 -33.14 30.96 0.58 68.47 4.15 4.22 20.99 50.80 18.99 0.23 0.30 0.32 43 F C H 138.07 2.28 9.73 13.19 99.42 38.93 -93.88 2.20 50.62 1.28 48.10 7.50 10.21 32.53 33.67 14.39 0.26 0.58 0.85 44 Q C T 149.20 1.40 10.50 12.89 98.08 -125.42 51.63 35.96 90.33 1.12 8.55 38.57 11.61 40.88 4.87 2.94 0.00 0.62 0.51 45 R C C 132.43 3.52 8.94 14.65 121.82 148.57 -101.27 150.31 95.72 3.03 1.24 79.61 13.55 2.54 0.47 0.76 0.00 1.75 1.33 46 E C C 153.02 1.26 12.98 14.66 114.19 -107.25 -78.83 134.63 92.82 6.69 0.49 90.07 2.38 0.66 0.18 0.24 0.00 3.85 2.63 47 L C C 79.41 10.26 6.74 17.36 116.61 -122.71 -81.16 140.39 89.50 10.38 0.12 87.07 2.37 0.12 0.06 0.04 0.00 3.43 6.90 48 R C C 145.82 2.13 11.00 14.28 117.21 -116.05 -74.66 149.51 99.77 0.21 0.02 98.97 0.79 0.06 0.01 0.01 0.00 0.07 0.10 49 P C T 116.68 1.59 9.26 12.15 102.43 -98.91 -60.70 140.06 98.96 0.09 0.94 1.55 3.83 93.55 0.05 0.94 0.00 0.05 0.05 50 N C T 144.38 0.44 10.73 9.94 95.75 23.31 57.31 6.55 98.64 0.07 1.29 1.80 3.93 92.77 0.07 1.36 0.00 0.04 0.03 51 E C C 95.06 5.67 6.96 14.66 116.98 131.53 -82.56 142.10 94.60 0.96 4.44 67.39 24.63 2.51 0.99 3.33 0.00 0.35 0.81 52 E C C 153.44 1.10 12.25 13.63 115.06 -120.11 -81.46 138.99 96.25 1.31 2.43 88.47 5.98 1.86 0.92 1.35 0.00 0.58 0.84 53 V C C 87.65 7.86 7.47 16.51 113.74 -119.89 -82.03 134.44 95.41 1.94 2.64 86.85 5.31 3.36 0.70 1.80 0.00 1.01 0.98 54 T C C 97.82 2.73 9.87 14.04 104.64 -164.44 -92.71 2.04 95.22 2.35 2.43 75.27 13.11 6.46 0.67 1.81 0.00 1.13 1.54 55 W C C 164.49 4.07 7.29 13.20 111.13 77.09 -93.63 119.67 97.23 1.74 1.03 88.91 4.82 3.41 0.34 0.57 0.00 0.71 1.24 56 K C C 162.22 1.36 12.02 13.96 109.31 -114.96 -79.60 124.70 99.95 0.04 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.02 0.01