# 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 117.90 4.50 11.20 17.35 112.86 -146.53 -88.37 127.64 99.90 0.05 0.05 99.84 0.06 0.04 0.03 0.00 0.00 0.02 0.01 1 L C C 108.47 4.02 9.17 14.82 108.30 -146.11 -83.69 118.87 72.02 1.32 26.66 65.27 1.09 4.60 26.87 1.01 0.00 0.53 0.63 2 N C C 97.62 2.92 10.04 14.36 107.04 -139.12 -81.26 98.37 58.03 0.99 40.99 44.97 5.39 5.56 42.02 1.26 0.00 0.37 0.44 3 I H H 110.97 2.95 10.45 14.83 94.35 52.95 -65.33 -36.67 8.18 0.10 91.72 4.15 1.35 2.73 90.77 0.92 0.00 0.04 0.04 4 F H H 124.22 2.75 12.54 16.25 92.69 53.78 -66.03 -38.54 2.69 0.04 97.27 1.10 0.39 1.20 96.43 0.84 0.00 0.02 0.01 5 S H H 52.99 4.08 12.98 18.47 92.30 52.04 -65.14 -39.95 1.73 0.04 98.23 0.69 0.23 0.81 97.42 0.80 0.00 0.03 0.01 6 L H H 83.78 3.76 14.27 19.21 92.33 50.84 -65.30 -40.98 0.99 0.02 98.99 0.32 0.12 0.51 98.62 0.41 0.00 0.01 0.00 7 V H H 74.00 3.59 15.50 19.96 92.05 50.01 -64.49 -42.18 0.88 0.04 99.08 0.27 0.10 0.47 98.87 0.25 0.00 0.03 0.00 8 C H H 58.80 4.47 15.03 20.69 92.00 49.92 -64.55 -41.43 1.19 0.05 98.76 0.32 0.11 0.69 98.52 0.30 0.00 0.04 0.01 9 I H H 85.84 3.80 15.70 20.41 92.18 49.70 -64.94 -41.53 1.29 0.03 98.68 0.24 0.12 0.87 98.33 0.41 0.01 0.02 0.01 10 C H H 67.98 3.28 15.75 19.71 92.40 49.45 -65.61 -41.45 2.76 0.04 97.20 0.39 0.24 1.99 96.77 0.56 0.01 0.02 0.01 11 I H H 89.79 3.92 15.68 20.26 92.57 48.80 -66.29 -40.30 6.12 0.07 93.81 0.88 0.62 4.45 93.16 0.80 0.02 0.03 0.03 12 N H H 81.42 4.74 14.74 20.49 93.19 50.78 -67.30 -37.27 11.37 0.10 88.52 2.60 1.43 7.30 86.88 1.67 0.03 0.05 0.05 13 S H H 57.89 3.65 14.43 19.19 93.01 55.15 -66.23 -38.53 12.63 0.11 87.25 2.67 1.69 8.32 82.55 4.62 0.04 0.06 0.06 14 A H H 61.07 3.02 14.54 18.27 92.82 53.10 -65.94 -37.47 14.67 0.16 85.16 2.69 1.86 10.08 78.05 7.09 0.06 0.09 0.08 15 L H H 89.95 4.65 13.31 19.02 93.41 50.92 -67.60 -37.06 20.07 0.36 79.57 4.62 2.92 12.85 71.72 7.42 0.10 0.21 0.17 16 Y H H 137.51 4.02 12.79 18.04 95.94 50.28 -74.52 -29.00 31.70 1.51 66.78 12.55 6.73 14.91 57.85 6.31 0.17 0.78 0.69 17 S C H 73.64 2.97 12.46 16.54 96.57 58.85 -80.65 -15.11 49.47 1.56 48.97 22.08 8.65 20.43 41.71 5.56 0.08 0.75 0.74 18 S C H 73.28 3.54 11.82 16.67 102.09 61.66 -86.14 0.03 60.50 1.33 38.18 23.58 14.76 23.37 29.78 7.17 0.05 0.58 0.71 19 S C C 65.33 4.77 10.57 16.94 106.07 83.90 -84.74 67.12 62.70 1.65 35.64 32.63 13.16 17.44 25.87 9.26 0.02 0.76 0.86 20 F C H 136.73 3.30 11.21 15.90 97.09 65.98 -72.78 -25.70 52.50 2.97 44.53 21.96 12.95 18.75 28.99 14.31 0.15 1.59 1.30 21 F H H 126.28 3.89 11.27 16.60 95.80 62.61 -74.68 -26.76 43.54 5.51 50.95 17.16 9.57 17.47 30.55 19.35 0.46 3.38 2.05 22 L H H 99.27 4.87 10.69 17.13 98.16 61.25 -71.74 -20.94 41.04 4.26 54.70 11.32 8.02 20.80 27.63 27.48 0.44 2.69 1.63 23 G C T 49.58 3.21 11.94 16.49 96.02 59.91 -72.59 -23.40 53.18 1.95 44.88 11.07 9.23 31.79 20.28 25.30 0.20 1.05 1.08 24 K C T 144.41 2.18 12.47 15.54 100.19 57.54 -88.62 -4.75 62.03 2.47 35.50 18.95 15.01 28.73 14.70 19.85 0.11 1.18 1.48 25 L C C 76.49 7.67 8.55 17.75 115.73 87.56 -93.03 130.29 90.43 1.45 8.12 54.17 33.64 2.89 6.26 1.62 0.00 0.48 0.94 26 P C C 80.94 3.77 11.71 17.00 106.46 -115.20 -67.51 143.42 60.31 0.80 38.88 43.89 6.03 10.08 20.34 18.85 0.00 0.42 0.40 27 E H G 135.55 2.63 11.52 15.52 96.08 -111.11 -66.54 -30.33 25.59 0.51 73.90 7.31 4.01 13.29 28.27 46.64 0.01 0.28 0.19 28 A H G 65.46 3.30 11.65 16.21 95.74 59.36 -69.47 -26.23 21.58 0.43 78.00 5.17 2.85 12.13 29.47 49.97 0.01 0.25 0.14 29 Y H G 104.94 6.81 10.21 18.58 97.24 54.69 -84.86 -8.28 20.25 0.37 79.38 6.70 2.95 9.89 28.56 51.56 0.00 0.20 0.13 30 A H G 57.68 5.90 10.71 18.56 93.29 84.34 -62.87 -34.94 20.86 0.27 78.86 3.46 2.34 13.70 21.73 58.50 0.01 0.16 0.11 31 F H G 155.03 1.65 13.14 15.08 93.50 54.79 -72.07 -22.72 25.26 0.20 74.53 2.25 2.22 19.12 17.36 58.85 0.00 0.12 0.08 32 L H G 101.37 4.07 11.61 17.02 99.98 53.52 -89.67 -6.12 33.26 0.57 66.17 5.61 5.65 21.40 14.68 52.05 0.02 0.30 0.29 33 N C C 70.94 6.92 10.75 19.41 109.93 88.77 -86.40 111.37 86.84 0.83 12.33 61.46 22.13 3.43 9.30 2.78 0.00 0.26 0.63 34 P H H 80.10 4.72 11.93 18.45 97.29 -146.77 -66.55 -22.69 48.19 1.26 50.55 21.33 6.92 20.00 32.99 17.45 0.03 0.64 0.63 35 I H H 107.54 3.36 12.52 17.06 95.35 62.38 -68.99 -31.88 28.49 2.75 68.76 9.27 4.77 13.70 41.35 28.09 0.21 1.85 0.76 36 V H H 78.52 4.73 11.83 18.11 94.56 56.85 -70.18 -36.03 16.23 1.63 82.14 5.02 2.66 7.76 43.67 39.30 0.08 1.22 0.30 37 D H G 91.13 3.84 13.27 18.34 94.51 55.04 -72.07 -26.38 25.41 0.95 73.64 5.05 3.32 14.95 37.31 38.35 0.09 0.61 0.32 38 F H H 113.54 5.10 12.66 18.89 97.61 48.61 -86.58 -16.02 36.46 1.08 62.45 6.41 5.50 22.58 35.13 28.99 0.23 0.57 0.59 39 M H H 94.85 5.64 12.28 19.56 95.27 74.87 -65.08 -39.28 49.10 1.78 49.12 17.71 10.78 20.89 29.54 19.22 0.11 0.89 0.87 40 P C T 83.15 3.14 14.12 18.09 93.96 56.29 -68.08 -29.82 53.48 0.65 45.86 9.98 6.39 36.05 29.28 17.53 0.04 0.37 0.37 41 V H H 78.63 4.30 14.19 19.49 94.80 53.87 -72.33 -33.58 27.96 0.61 71.43 5.71 3.74 17.69 54.93 17.13 0.16 0.33 0.32 42 I H H 72.47 6.56 13.84 21.85 93.13 59.61 -64.12 -43.12 6.60 0.33 93.06 3.23 1.40 2.47 89.29 3.27 0.01 0.24 0.08 43 P H H 64.86 4.57 14.93 20.81 92.21 51.27 -64.47 -39.68 4.47 0.20 95.33 1.97 0.46 1.99 92.30 3.07 0.00 0.17 0.04 44 L H H 93.82 2.54 16.07 18.75 92.14 51.01 -65.66 -40.26 1.80 0.06 98.14 0.50 0.19 1.01 95.13 3.12 0.00 0.04 0.01 45 L H H 81.80 4.57 15.43 20.84 92.49 50.32 -65.86 -40.72 1.27 0.03 98.70 0.32 0.12 0.74 97.08 1.71 0.00 0.02 0.01 46 F H H 99.92 5.77 14.91 21.75 92.49 49.94 -65.48 -40.77 0.94 0.01 99.05 0.14 0.07 0.64 98.15 1.00 0.00 0.01 0.00 47 F H H 114.64 3.38 15.95 19.79 92.35 50.42 -65.07 -41.37 0.69 0.01 99.31 0.07 0.04 0.49 98.63 0.76 0.00 0.00 0.00 48 L H H 92.74 2.54 16.82 19.20 92.08 50.36 -64.78 -41.68 0.88 0.00 99.12 0.08 0.05 0.65 98.69 0.52 0.00 0.00 0.00 49 L H H 78.08 4.86 16.21 21.84 92.23 49.69 -65.21 -40.83 0.61 0.00 99.38 0.07 0.03 0.41 99.24 0.24 0.00 0.00 0.00 50 A H H 41.86 5.76 14.68 22.14 91.62 51.43 -63.43 -41.33 0.33 0.00 99.67 0.05 0.02 0.20 99.63 0.11 0.00 0.00 0.00 51 F H H 115.73 2.59 16.69 19.29 92.11 49.98 -64.93 -41.27 0.28 0.00 99.71 0.03 0.01 0.20 99.62 0.14 0.00 0.00 0.00 52 V H H 83.11 2.43 16.31 18.60 91.92 49.18 -64.39 -42.32 0.24 0.00 99.76 0.03 0.01 0.16 99.68 0.12 0.00 0.00 0.00 53 W H H 126.95 4.31 14.98 20.17 92.31 48.82 -65.49 -40.91 0.43 0.00 99.57 0.05 0.02 0.29 99.46 0.18 0.00 0.00 0.00 54 Q H H 93.64 4.04 14.31 19.43 92.15 51.41 -64.58 -39.60 1.28 0.00 98.72 0.12 0.07 0.94 98.46 0.40 0.00 0.00 0.00 55 A H H 63.65 1.99 13.97 16.17 92.28 51.98 -65.69 -36.73 5.15 0.01 94.84 0.39 0.30 4.14 94.24 0.91 0.00 0.00 0.00 56 A H H 65.18 2.85 12.09 15.97 93.89 52.82 -70.35 -30.36 15.18 0.08 84.74 1.88 1.35 11.49 83.53 1.67 0.02 0.03 0.04 57 V H H 88.65 4.16 9.73 15.45 99.24 57.97 -79.43 -21.48 35.77 1.20 63.02 10.03 6.17 20.94 58.72 2.94 0.09 0.54 0.57 58 S C H 83.40 1.85 9.26 12.36 101.79 73.53 -81.37 4.14 60.45 3.11 36.45 24.68 8.67 27.21 32.70 3.86 0.05 1.61 1.22 59 F C C 160.38 1.76 7.50 10.75 104.51 82.87 -85.99 35.45 82.15 1.56 16.28 61.44 1.84 18.68 14.09 2.35 0.00 0.80 0.81 60 R C C 170.02 2.24 9.71 13.61 109.30 -156.99 -89.53 106.65 99.95 0.03 0.02 99.89 0.05 0.04 0.01 0.00 0.00 0.01 0.00