# 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 G C C 44.48 5.51 15.63 22.40 117.22 -114.00 88.75 -29.35 99.97 0.02 0.01 99.75 0.17 0.07 0.00 0.00 0.00 0.01 0.00 1 T C C 72.09 8.39 12.10 21.56 114.65 -75.55 -96.08 134.77 97.35 1.95 0.70 94.99 1.70 0.57 0.52 0.10 0.00 0.56 1.54 2 T C C 72.25 4.27 16.41 21.35 117.26 -128.54 -82.65 149.05 97.46 0.56 1.98 91.03 5.51 0.81 1.94 0.17 0.00 0.18 0.36 3 P H H 55.30 13.25 11.43 24.91 93.69 -111.30 -58.97 -37.29 15.11 0.09 84.80 4.90 2.36 8.02 77.13 7.48 0.02 0.05 0.05 4 G H H 41.73 2.89 16.57 19.85 92.61 55.28 -63.33 -38.04 9.84 0.05 90.11 1.69 1.23 6.53 80.43 10.04 0.02 0.03 0.02 5 E H H 97.16 3.91 17.42 21.89 92.71 51.73 -67.36 -37.75 5.07 0.04 94.90 1.14 0.66 3.00 85.05 10.10 0.00 0.02 0.01 6 L H H 19.53 19.60 11.17 30.27 92.42 53.48 -65.74 -38.05 4.32 0.03 95.65 0.86 0.54 2.58 85.25 10.74 0.00 0.02 0.01 7 R H H 125.27 8.57 15.94 25.43 91.41 57.33 -66.89 -26.12 24.15 0.04 75.81 1.00 1.23 21.46 66.21 10.01 0.03 0.02 0.04 8 E C T 149.51 1.05 18.43 17.79 94.09 55.85 -85.06 -8.66 55.36 0.05 44.58 1.62 2.78 51.25 35.70 8.55 0.01 0.02 0.07 9 L C S 38.32 14.80 8.12 22.93 119.97 101.48 -80.25 149.74 98.88 0.18 0.94 36.19 61.71 0.89 0.86 0.11 0.00 0.03 0.22 10 T C C 74.53 1.93 19.55 19.95 120.70 -116.99 -77.20 163.20 99.33 0.20 0.47 98.65 0.59 0.18 0.35 0.03 0.00 0.04 0.16 11 D H H 81.13 10.81 12.15 23.59 91.96 -104.13 -58.07 -38.86 2.33 0.00 97.67 0.41 0.35 1.37 97.31 0.56 0.00 0.00 0.00 12 D H H 108.13 1.28 17.86 18.06 91.89 52.49 -64.80 -39.60 1.32 0.00 98.68 0.11 0.10 1.01 98.10 0.67 0.00 0.00 0.00 13 E H H 92.50 3.56 18.16 22.10 91.67 49.00 -65.42 -40.44 0.59 0.00 99.41 0.08 0.04 0.39 98.83 0.65 0.00 0.00 0.00 14 L H H 12.91 18.50 12.78 31.87 91.67 50.44 -63.46 -43.05 0.23 0.00 99.77 0.04 0.01 0.13 99.68 0.14 0.00 0.00 0.00 15 K H H 83.23 9.17 18.63 28.53 91.20 50.58 -62.87 -41.76 0.28 0.00 99.72 0.03 0.01 0.17 99.73 0.06 0.00 0.00 0.00 16 D H H 83.73 1.67 22.71 21.98 91.85 49.71 -64.18 -42.07 0.40 0.00 99.60 0.03 0.01 0.25 99.64 0.06 0.00 0.00 0.00 17 K H H 81.34 8.04 20.35 29.01 91.82 49.09 -65.16 -40.91 0.38 0.00 99.62 0.04 0.02 0.23 99.64 0.07 0.00 0.00 0.00 18 L H H 16.54 19.41 15.35 34.83 91.76 50.81 -64.13 -42.30 0.32 0.00 99.68 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 19 R H H 126.06 3.73 22.38 26.18 91.31 50.77 -63.54 -41.51 0.34 0.00 99.66 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 20 E H H 102.49 2.21 23.09 23.65 91.77 49.58 -64.49 -41.64 0.51 0.00 99.49 0.06 0.03 0.31 99.55 0.05 0.00 0.00 0.00 21 S H H 12.83 15.10 16.47 32.75 91.59 50.30 -64.15 -41.75 0.81 0.00 99.19 0.12 0.04 0.47 99.31 0.06 0.00 0.00 0.00 22 K H H 83.70 11.53 19.18 30.71 91.39 52.06 -62.98 -41.41 0.57 0.00 99.43 0.09 0.03 0.28 99.55 0.05 0.00 0.00 0.00 23 E H H 109.78 1.74 22.89 22.45 91.68 50.22 -63.99 -41.79 0.26 0.00 99.74 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 24 E H H 84.83 5.77 20.63 26.98 91.56 49.33 -64.85 -41.11 0.24 0.00 99.76 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 25 L H H 24.45 16.65 15.39 32.43 91.74 50.57 -64.07 -41.85 0.27 0.00 99.73 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 26 F H H 102.58 3.93 20.87 24.89 91.61 50.29 -63.67 -41.40 0.31 0.00 99.69 0.02 0.01 0.21 99.69 0.07 0.00 0.00 0.00 27 N H H 89.08 2.13 21.70 22.38 91.88 49.66 -64.91 -40.31 1.09 0.00 98.91 0.06 0.04 0.83 98.94 0.12 0.00 0.00 0.00 28 L H H 27.77 13.15 14.93 29.37 91.85 51.47 -64.27 -41.07 0.99 0.00 99.01 0.10 0.05 0.66 98.86 0.33 0.00 0.00 0.00 29 R H H 107.52 8.44 17.29 26.56 91.63 52.42 -63.22 -41.47 0.91 0.00 99.09 0.15 0.07 0.54 98.73 0.51 0.00 0.00 0.00 30 F H H 125.59 1.43 19.09 18.61 92.02 49.47 -64.57 -41.37 1.40 0.01 98.60 0.18 0.12 0.95 98.13 0.60 0.00 0.00 0.00 31 Q H H 74.77 4.45 15.34 21.14 92.61 49.43 -65.90 -40.14 2.59 0.02 97.39 0.50 0.30 1.66 96.72 0.80 0.01 0.01 0.01 32 M H H 58.11 11.38 11.24 23.50 92.28 52.41 -64.93 -40.12 3.95 0.03 96.02 0.71 0.40 2.75 94.19 1.92 0.01 0.01 0.01 33 A H H 82.94 1.92 13.74 16.37 91.58 53.14 -66.24 -29.47 10.39 0.04 89.58 0.60 0.64 9.21 87.85 1.64 0.02 0.01 0.02 34 T C T 98.73 1.34 13.07 14.10 93.63 50.40 -86.51 -3.24 67.97 0.05 31.97 0.72 2.75 63.71 30.94 1.80 0.01 0.02 0.06 35 G C T 56.95 2.41 11.60 15.64 95.43 -111.85 79.22 9.60 98.44 0.04 1.52 3.21 7.62 87.82 0.92 0.39 0.00 0.02 0.02 36 Q C C 126.17 1.95 13.75 16.37 96.72 123.68 -82.97 -15.14 98.36 0.24 1.40 59.50 35.52 3.26 0.47 0.97 0.00 0.08 0.20 37 L C C 46.01 14.44 7.48 21.39 120.47 58.24 -113.79 134.57 95.97 0.68 3.35 69.36 20.77 5.57 1.00 2.37 0.00 0.22 0.71 38 S C C 90.27 1.59 16.18 17.66 100.37 -164.66 -87.55 -22.43 97.42 0.26 2.33 53.10 36.43 7.95 0.91 1.31 0.00 0.09 0.21 39 N C C 79.54 5.58 13.07 20.20 109.22 47.75 -112.11 96.81 95.65 0.43 3.92 67.06 19.93 8.62 2.11 1.69 0.00 0.14 0.45 40 N H H 91.36 7.04 12.00 20.76 94.99 -175.18 -67.87 -28.73 25.72 0.13 74.15 12.79 5.85 7.92 69.78 3.53 0.00 0.04 0.08 41 R H H 164.85 1.24 16.94 17.23 91.74 59.62 -64.49 -39.24 8.11 0.02 91.87 1.56 1.09 5.06 89.33 2.93 0.01 0.01 0.01 42 R H H 112.61 5.69 16.88 23.58 92.22 50.32 -65.93 -40.56 3.21 0.01 96.77 0.90 0.37 1.75 94.48 2.48 0.00 0.01 0.00 43 L H H 28.26 15.61 13.29 29.40 91.96 51.61 -63.81 -41.85 0.91 0.00 99.09 0.26 0.10 0.44 98.45 0.75 0.00 0.00 0.00 44 R H H 127.47 3.18 21.14 24.12 91.55 50.87 -64.01 -41.00 0.82 0.00 99.18 0.21 0.07 0.44 98.91 0.36 0.00 0.00 0.00 45 T H H 64.52 3.34 21.37 24.39 91.86 50.03 -64.30 -42.18 0.82 0.00 99.18 0.19 0.07 0.47 99.03 0.23 0.00 0.00 0.00 46 V H H 21.09 15.98 16.80 33.34 91.86 49.83 -64.22 -42.50 0.65 0.00 99.35 0.15 0.06 0.34 99.35 0.10 0.00 0.00 0.00 47 R H H 105.08 9.98 20.26 30.39 91.67 51.65 -62.80 -41.74 0.31 0.00 99.69 0.05 0.02 0.16 99.72 0.05 0.00 0.00 0.00 48 Q H H 101.34 2.30 23.39 24.29 91.73 49.42 -64.87 -41.48 0.14 0.00 99.86 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 49 E H H 64.18 10.09 20.80 31.40 91.94 49.74 -65.08 -41.43 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 50 I H H 24.47 17.73 17.82 35.59 91.55 50.16 -63.57 -42.52 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 51 A H H 51.80 4.16 22.68 26.71 91.29 51.08 -63.04 -41.23 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 52 R H H 120.85 3.63 23.39 26.76 91.68 50.12 -64.38 -41.53 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 53 V H H 18.20 17.53 17.94 35.84 91.73 50.03 -64.21 -42.86 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 54 Y H H 87.23 10.73 20.76 31.61 91.58 50.43 -63.02 -41.92 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 55 T H H 68.07 2.46 22.59 23.70 91.63 50.00 -63.87 -42.68 0.15 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 56 V H H 40.29 7.96 19.15 28.63 91.72 49.13 -64.18 -42.61 0.18 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 57 L H H 26.55 14.33 15.31 30.71 91.57 49.94 -63.88 -42.17 0.29 0.00 99.70 0.04 0.02 0.17 99.72 0.06 0.00 0.00 0.00 58 R H H 125.73 3.57 17.90 21.93 91.75 50.30 -64.15 -41.23 0.79 0.00 99.21 0.12 0.05 0.47 99.22 0.14 0.00 0.00 0.00 59 E H H 115.12 1.98 16.50 18.16 92.50 50.09 -65.57 -39.97 1.40 0.00 98.60 0.19 0.10 0.90 98.49 0.32 0.00 0.00 0.00 60 R H H 121.99 5.59 13.50 20.41 93.13 49.20 -67.66 -38.20 3.69 0.01 96.30 0.53 0.31 2.50 95.80 0.85 0.00 0.00 0.00 61 E H H 116.00 4.62 12.15 18.25 92.84 50.32 -68.78 -32.45 12.26 0.02 87.72 1.55 0.94 8.85 87.67 0.97 0.00 0.01 0.01 62 L H H 121.52 1.85 11.50 14.09 96.48 51.42 -78.46 -17.50 36.68 0.09 63.23 13.45 1.19 19.79 64.66 0.81 0.00 0.03 0.06 63 G C C 49.98 3.31 13.10 17.68 105.30 46.75 27.85 -11.40 99.97 0.01 0.02 99.75 0.08 0.15 0.01 0.00 0.00 0.00 0.00