# 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 K C C 109.81 5.74 17.76 23.91 106.62 -130.66 -87.02 98.01 99.68 0.06 0.26 99.57 0.09 0.11 0.19 0.01 0.00 0.02 0.01 1 A H H 32.39 14.19 10.43 24.51 95.13 88.81 -65.24 -35.52 31.29 0.16 68.55 26.54 1.08 5.05 63.13 4.04 0.00 0.07 0.08 2 K H H 133.14 2.14 14.58 17.27 92.60 59.44 -64.13 -38.67 14.05 0.12 85.83 5.05 2.24 6.80 75.60 10.19 0.01 0.06 0.05 3 E H H 109.12 2.44 15.95 18.57 92.49 52.36 -66.19 -37.54 9.45 0.09 90.46 3.00 1.40 4.73 78.59 12.19 0.01 0.05 0.03 4 L H H 29.07 16.14 11.05 27.29 92.52 52.39 -67.00 -35.91 6.60 0.05 93.34 1.76 0.93 3.36 78.92 14.98 0.00 0.03 0.02 5 R H H 118.60 9.22 14.36 24.40 91.96 59.00 -68.08 -26.38 19.10 0.07 80.83 1.86 1.72 14.65 71.59 10.07 0.04 0.03 0.05 6 E C T 148.79 1.08 17.61 17.19 94.72 53.99 -85.27 -8.05 51.17 0.11 48.72 3.49 4.32 42.64 40.77 8.60 0.03 0.05 0.11 7 K C S 64.91 11.35 9.52 21.94 120.26 97.78 -81.71 149.58 98.31 0.29 1.40 35.19 61.83 1.15 1.35 0.16 0.00 0.06 0.27 8 S C C 56.06 2.54 19.48 21.16 119.90 -111.81 -75.20 161.77 97.43 1.80 0.76 96.25 0.91 0.22 0.65 0.06 0.00 0.30 1.61 9 V H H 56.15 14.62 11.84 26.57 92.01 -105.20 -58.50 -39.04 1.55 0.00 98.45 0.33 0.26 0.81 98.28 0.32 0.00 0.00 0.00 10 E H H 131.45 1.69 18.72 19.85 91.36 52.96 -63.84 -40.25 0.81 0.00 99.19 0.09 0.06 0.58 98.84 0.43 0.00 0.00 0.00 11 E H H 97.90 3.04 19.18 22.08 91.78 48.65 -65.31 -40.30 0.49 0.00 99.50 0.07 0.03 0.33 99.03 0.54 0.00 0.00 0.00 12 L H H 13.72 18.13 13.30 32.12 91.63 50.32 -63.49 -42.70 0.24 0.00 99.76 0.04 0.01 0.13 99.69 0.12 0.00 0.00 0.00 13 N H H 63.20 10.13 18.53 29.24 91.31 51.15 -63.14 -41.06 0.59 0.00 99.41 0.06 0.02 0.34 99.52 0.06 0.00 0.00 0.00 14 T H H 78.48 1.77 22.21 21.83 91.97 49.82 -64.22 -42.01 0.45 0.00 99.55 0.04 0.02 0.27 99.62 0.05 0.00 0.00 0.00 15 E H H 76.34 7.48 20.39 28.57 91.75 49.41 -64.83 -41.33 0.27 0.00 99.73 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 16 L H H 18.95 18.40 15.99 34.61 91.64 50.13 -63.95 -42.31 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 17 L H H 74.28 5.21 21.10 26.81 91.58 50.40 -63.28 -41.44 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 18 N H H 87.94 2.20 22.89 23.51 91.78 50.03 -64.38 -41.32 0.30 0.00 99.70 0.02 0.01 0.19 99.73 0.04 0.00 0.00 0.00 19 L H H 26.76 13.45 17.45 32.09 91.71 50.27 -64.26 -41.78 0.43 0.00 99.57 0.04 0.02 0.27 99.63 0.05 0.00 0.00 0.00 20 L H H 51.19 12.44 18.13 31.04 91.53 51.29 -63.29 -41.35 0.41 0.00 99.59 0.06 0.02 0.21 99.67 0.04 0.00 0.00 0.00 21 R H H 138.99 1.80 22.49 22.63 91.54 50.43 -63.95 -41.33 0.22 0.00 99.78 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 22 E H H 86.76 5.05 20.48 25.99 91.64 49.62 -65.14 -41.08 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 23 Q H H 36.62 14.98 15.79 31.19 91.86 51.00 -64.08 -41.57 0.22 0.00 99.78 0.02 0.01 0.13 99.80 0.05 0.00 0.00 0.00 24 F H H 100.54 4.10 20.27 24.63 91.70 50.32 -63.92 -41.26 0.23 0.00 99.77 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 25 N H H 89.36 2.09 21.27 21.98 91.80 49.91 -64.81 -40.90 0.64 0.00 99.36 0.04 0.02 0.45 99.39 0.09 0.00 0.00 0.00 26 L H H 34.19 11.86 14.80 28.14 91.94 51.13 -64.19 -41.07 0.73 0.00 99.26 0.08 0.04 0.46 99.21 0.21 0.00 0.00 0.00 27 R H H 113.11 7.27 17.23 25.50 91.88 52.02 -63.36 -40.95 1.05 0.00 98.95 0.18 0.08 0.60 98.80 0.33 0.00 0.00 0.00 28 M H H 111.19 1.41 18.69 18.31 92.10 49.99 -64.82 -40.94 2.10 0.01 97.89 0.37 0.20 1.32 97.58 0.52 0.00 0.00 0.00 29 Q H H 79.12 4.11 15.08 20.40 92.69 49.58 -65.99 -39.81 3.88 0.03 96.09 1.04 0.50 2.21 95.45 0.78 0.01 0.01 0.01 30 A H H 38.26 10.24 11.08 22.53 92.40 52.95 -64.54 -39.63 5.92 0.04 94.03 1.34 0.61 3.78 92.56 1.65 0.01 0.02 0.02 31 A H H 85.59 1.51 13.61 15.39 92.03 53.15 -66.70 -28.95 13.74 0.06 86.20 1.17 1.09 11.40 84.63 1.63 0.03 0.02 0.03 32 S C T 80.72 1.44 12.38 13.81 94.66 52.77 -85.51 -4.44 70.68 0.06 29.26 1.23 3.77 64.20 28.87 1.83 0.01 0.02 0.07 33 G C T 56.82 2.18 11.91 15.41 96.00 -110.57 79.75 8.72 96.32 0.06 3.61 5.16 9.05 82.28 2.53 0.90 0.00 0.03 0.05 34 Q C C 116.38 2.88 12.73 16.83 97.24 119.57 -82.81 -13.85 90.69 0.39 8.92 62.87 19.87 7.83 3.74 5.18 0.00 0.15 0.37 35 L C C 58.36 13.09 8.22 20.97 110.17 72.71 -93.75 104.88 79.53 0.96 19.51 52.75 14.50 11.60 6.04 13.97 0.00 0.39 0.74 36 Q C C 137.96 1.94 15.35 17.77 101.17 108.73 -79.04 -13.59 82.79 0.59 16.62 52.06 19.18 11.28 6.29 10.49 0.00 0.23 0.48 37 Q C C 96.32 5.63 12.52 19.67 106.11 69.26 -95.45 94.05 84.95 0.57 14.49 64.23 12.86 7.91 7.80 6.49 0.00 0.21 0.49 38 S H H 63.44 5.97 12.20 19.87 96.08 171.86 -69.20 -34.58 28.99 0.16 70.85 16.05 5.76 7.54 66.71 3.78 0.00 0.05 0.10 39 H H H 137.23 1.31 16.92 17.11 92.57 56.56 -65.45 -37.38 11.46 0.04 88.50 2.94 1.69 6.56 85.55 3.21 0.01 0.02 0.02 40 L H H 61.68 8.29 15.72 25.35 92.56 51.20 -66.47 -40.62 4.27 0.02 95.70 1.41 0.51 2.19 93.44 2.42 0.00 0.01 0.01 41 L H H 33.81 14.51 13.76 28.91 91.96 51.65 -63.59 -41.97 1.18 0.00 98.82 0.38 0.12 0.55 98.19 0.75 0.00 0.00 0.00 42 K H H 113.48 2.63 20.92 22.86 91.49 50.83 -63.86 -40.98 0.88 0.00 99.12 0.24 0.08 0.47 98.86 0.34 0.00 0.00 0.00 43 Q H H 91.00 3.40 20.99 24.17 91.70 49.95 -64.98 -41.50 0.76 0.00 99.24 0.19 0.07 0.43 99.12 0.19 0.00 0.00 0.00 44 V H H 20.57 16.63 16.02 33.08 91.95 49.83 -64.32 -42.30 0.63 0.00 99.37 0.17 0.05 0.31 99.37 0.09 0.00 0.00 0.00 45 R H H 112.94 8.38 20.09 28.95 91.54 51.36 -62.90 -41.44 0.37 0.00 99.63 0.07 0.02 0.20 99.66 0.05 0.00 0.00 0.00 46 R H H 137.70 1.83 23.24 23.31 91.88 49.26 -64.70 -41.37 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 47 D H H 44.65 10.69 20.06 31.44 91.94 49.49 -65.14 -41.39 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 48 V H H 23.36 17.05 17.71 34.84 91.49 50.44 -63.38 -42.52 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 49 A H H 53.88 3.25 22.89 25.55 91.15 50.58 -62.91 -41.98 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 50 R H H 120.91 3.59 23.29 26.62 91.69 49.78 -64.66 -41.56 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 51 V H H 16.38 18.72 17.11 36.05 91.69 50.18 -64.02 -42.78 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 52 K H H 92.88 9.57 21.04 30.77 91.34 51.58 -62.51 -41.47 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 53 T H H 72.55 1.97 22.83 22.82 91.61 49.63 -63.53 -42.58 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 54 L H H 43.93 8.90 18.77 29.16 91.80 49.40 -64.56 -42.25 0.27 0.00 99.73 0.03 0.02 0.15 99.74 0.05 0.00 0.00 0.00 55 L H H 30.39 15.31 14.69 30.62 91.62 49.92 -63.72 -41.85 0.49 0.00 99.51 0.07 0.03 0.28 99.52 0.10 0.00 0.00 0.00 56 N H H 93.94 2.74 18.04 20.86 91.79 49.74 -64.48 -40.10 1.60 0.00 98.40 0.25 0.12 0.99 98.40 0.24 0.00 0.00 0.00 57 E H H 127.01 1.60 16.58 17.58 92.79 49.96 -66.47 -39.44 3.80 0.01 96.19 0.53 0.35 2.54 96.12 0.45 0.00 0.00 0.00 58 K H H 107.12 6.44 13.18 20.91 93.61 49.41 -70.33 -33.98 9.79 0.03 90.19 1.59 1.15 6.51 90.02 0.70 0.01 0.01 0.02 59 A H H 61.97 6.82 10.89 19.05 95.46 54.53 -70.00 -26.95 33.11 0.09 66.80 3.59 2.99 25.28 67.01 1.02 0.01 0.03 0.06 60 G C T 60.88 1.25 13.48 14.71 98.45 26.40 9.94 -2.08 72.15 0.09 27.76 22.01 1.30 44.61 31.13 0.86 0.00 0.03 0.06 61 A C C 67.15 5.01 11.79 18.36 103.25 96.15 -78.91 -3.31 99.97 0.01 0.02 99.89 0.05 0.04 0.01 0.00 0.00 0.00 0.00