# 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 116.23 5.02 10.73 17.19 113.42 -151.76 -87.09 137.86 99.96 0.02 0.02 99.89 0.06 0.03 0.01 0.00 0.00 0.00 0.00 1 S C C 78.42 2.76 9.53 13.89 112.80 -121.97 -80.21 143.19 92.49 0.58 6.93 89.86 0.64 3.03 5.08 0.85 0.00 0.24 0.30 2 R C C 168.19 2.36 8.93 12.82 105.21 -126.40 -81.61 70.64 82.18 1.74 16.08 63.60 10.44 7.71 13.25 3.18 0.00 0.78 1.06 3 T C C 84.45 3.83 8.61 14.06 112.23 -136.77 -90.17 135.25 77.78 1.61 20.61 61.13 9.41 6.69 17.96 3.23 0.00 0.72 0.86 4 R C C 156.23 2.45 11.03 14.61 101.03 -136.89 -75.44 -29.02 61.83 0.82 37.35 42.33 10.36 8.71 34.61 3.23 0.00 0.32 0.43 5 N H H 98.47 2.69 11.79 15.35 102.04 43.23 -79.07 -12.55 49.15 0.37 50.48 29.83 9.13 9.98 47.90 2.82 0.00 0.13 0.20 6 A H H 57.76 4.30 10.63 16.46 95.88 64.98 -67.79 -32.68 28.20 0.19 71.61 17.38 4.64 6.72 68.57 2.51 0.00 0.07 0.10 7 Q H H 110.15 2.47 12.66 15.89 93.21 58.22 -65.34 -39.41 10.65 0.09 89.26 5.89 1.71 3.44 87.00 1.88 0.00 0.04 0.04 8 K H H 128.56 1.78 13.76 15.52 93.20 50.56 -66.53 -39.53 5.81 0.05 94.13 2.81 0.90 2.30 92.51 1.43 0.00 0.03 0.02 9 K H H 120.47 2.35 14.36 17.03 92.99 50.35 -65.73 -40.38 4.03 0.04 95.93 1.89 0.54 1.60 95.00 0.92 0.00 0.02 0.02 10 Y H H 113.61 3.84 14.25 18.87 92.90 49.55 -65.42 -41.20 2.39 0.02 97.59 0.97 0.33 1.04 97.17 0.47 0.00 0.01 0.01 11 E H H 100.47 2.31 16.14 18.40 92.21 50.59 -64.64 -41.44 1.33 0.00 98.67 0.43 0.14 0.61 98.60 0.22 0.00 0.00 0.00 12 G H H 31.12 2.86 15.36 18.98 92.05 50.82 -63.38 -42.14 1.63 0.00 98.36 0.44 0.15 0.86 98.33 0.22 0.00 0.00 0.00 13 M H H 92.10 3.38 15.46 19.28 92.24 49.85 -65.36 -40.45 0.88 0.00 99.12 0.23 0.07 0.43 99.11 0.15 0.00 0.00 0.00 14 M H H 93.90 3.15 15.47 19.20 91.99 51.01 -64.68 -40.86 0.60 0.00 99.40 0.14 0.05 0.30 99.40 0.11 0.00 0.00 0.00 15 R H H 141.47 1.62 16.72 17.59 91.92 49.95 -64.73 -41.11 0.60 0.00 99.40 0.14 0.04 0.31 99.41 0.10 0.00 0.00 0.00 16 K H H 117.73 2.02 16.41 18.12 92.07 49.78 -65.07 -40.45 0.67 0.00 99.32 0.15 0.05 0.35 99.35 0.09 0.00 0.00 0.00 17 L H H 78.78 3.60 15.31 19.53 92.10 50.10 -64.76 -41.15 0.55 0.00 99.45 0.12 0.04 0.28 99.47 0.08 0.00 0.00 0.00 18 K H H 115.67 1.99 16.92 18.44 91.99 50.17 -64.30 -41.05 0.57 0.00 99.43 0.10 0.04 0.30 99.47 0.08 0.00 0.00 0.00 19 A H H 53.14 2.32 15.82 18.31 91.77 50.27 -63.93 -41.13 0.69 0.00 99.31 0.11 0.05 0.37 99.38 0.08 0.00 0.00 0.00 20 K H H 109.18 2.85 16.05 19.02 92.08 50.19 -64.88 -40.38 0.65 0.00 99.35 0.12 0.05 0.34 99.42 0.08 0.00 0.00 0.00 21 E H H 99.54 2.62 15.86 18.67 91.93 50.34 -64.51 -40.83 0.65 0.00 99.35 0.13 0.04 0.34 99.41 0.09 0.00 0.00 0.00 22 E H H 105.72 1.74 16.53 17.53 91.79 49.99 -64.46 -41.14 0.72 0.00 99.28 0.14 0.05 0.38 99.32 0.10 0.00 0.00 0.00 23 R H H 127.28 2.19 15.98 18.10 91.91 49.77 -64.73 -40.99 0.85 0.00 99.15 0.18 0.06 0.46 99.17 0.12 0.00 0.00 0.00 24 M H H 90.80 3.34 15.09 18.92 92.01 50.08 -64.48 -40.98 1.13 0.00 98.87 0.29 0.09 0.58 98.88 0.16 0.00 0.00 0.00 25 R H H 136.22 1.65 16.53 17.44 91.87 50.21 -64.41 -40.92 1.36 0.00 98.64 0.35 0.12 0.68 98.68 0.16 0.00 0.00 0.00 26 K H H 116.19 1.80 16.43 17.63 92.04 49.76 -64.88 -40.97 1.38 0.00 98.62 0.39 0.13 0.64 98.67 0.16 0.00 0.00 0.00 27 E H H 93.67 3.31 15.26 19.28 92.09 50.29 -64.41 -41.21 1.06 0.00 98.94 0.30 0.09 0.49 98.99 0.13 0.00 0.00 0.00 28 E H H 102.65 2.56 16.21 18.71 91.83 50.26 -64.43 -40.96 0.97 0.00 99.03 0.25 0.08 0.46 99.07 0.13 0.00 0.00 0.00 29 E H H 104.55 1.75 16.67 17.66 91.86 50.22 -64.51 -40.90 0.97 0.00 99.03 0.22 0.08 0.48 99.09 0.13 0.00 0.00 0.00 30 L H H 82.04 2.80 15.32 18.67 92.05 49.99 -64.46 -41.15 0.99 0.00 99.00 0.24 0.08 0.49 99.05 0.13 0.00 0.00 0.00 31 K H H 111.69 3.24 15.56 19.20 91.96 50.44 -63.92 -41.09 0.88 0.00 99.12 0.20 0.07 0.43 99.17 0.12 0.00 0.00 0.00 32 E H H 108.44 2.05 16.21 17.97 91.97 49.86 -64.93 -41.22 0.99 0.00 99.01 0.23 0.08 0.48 99.06 0.14 0.00 0.00 0.00 33 E H H 107.29 1.69 16.99 17.73 91.90 49.24 -64.73 -41.29 1.10 0.00 98.90 0.22 0.09 0.59 98.91 0.19 0.00 0.00 0.00 34 E H H 93.40 3.13 15.74 19.45 92.14 49.78 -64.71 -40.77 1.65 0.00 98.34 0.28 0.15 0.98 98.28 0.31 0.00 0.00 0.00 35 A H H 48.18 4.35 13.89 19.70 91.91 51.20 -63.79 -40.57 3.13 0.01 96.86 0.57 0.29 1.95 96.43 0.75 0.01 0.00 0.00 36 K H H 122.66 1.84 15.82 17.36 92.10 50.89 -65.38 -39.64 5.73 0.01 94.25 0.90 0.47 3.97 92.03 2.60 0.01 0.00 0.01 37 K H H 124.07 1.68 15.60 16.76 92.50 50.95 -65.66 -40.17 11.07 0.03 88.91 1.38 0.94 8.31 84.84 4.49 0.02 0.01 0.01 38 F H H 108.05 3.77 13.39 18.33 92.93 49.36 -66.57 -39.50 17.37 0.08 82.54 3.37 1.94 11.65 75.83 7.09 0.03 0.04 0.05 39 W H H 137.95 4.19 12.39 17.87 93.69 50.82 -69.24 -33.39 27.12 0.29 72.60 9.70 4.02 13.20 62.23 10.51 0.03 0.14 0.16 40 S H H 76.53 1.98 13.39 15.70 94.56 59.99 -70.79 -25.74 41.15 0.55 58.30 13.59 5.71 22.22 48.75 9.07 0.04 0.27 0.34 41 I C T 110.64 2.87 11.68 15.61 101.80 64.46 -80.51 -4.83 60.58 0.57 38.85 9.33 12.01 38.92 32.47 6.52 0.06 0.24 0.43 42 G C T 49.14 2.82 12.60 16.34 100.97 37.09 14.03 -1.50 77.92 0.43 21.65 23.97 11.94 42.70 16.53 4.38 0.00 0.17 0.30 43 A C C 62.49 4.83 10.45 16.89 105.01 103.96 -78.08 63.99 83.33 0.86 15.81 64.54 8.69 9.93 11.52 4.39 0.00 0.39 0.55 44 K C C 129.43 3.84 11.12 16.30 105.82 108.63 -85.88 45.67 85.26 1.01 13.73 60.82 14.79 9.16 10.55 3.58 0.00 0.41 0.70 45 D C C 86.15 2.88 11.74 15.71 111.87 72.63 -85.40 136.88 84.89 0.53 14.58 66.23 12.64 5.30 13.06 2.24 0.00 0.19 0.34 46 E H H 137.07 1.94 11.43 14.32 94.99 -111.64 -65.77 -34.47 30.00 0.14 69.86 11.56 6.50 12.18 65.17 4.44 0.01 0.06 0.09 47 S H H 76.74 1.22 13.19 13.85 93.37 53.17 -66.66 -38.49 25.96 0.12 73.92 10.52 4.03 11.40 70.06 3.87 0.01 0.05 0.07 48 K H H 111.54 3.00 12.62 16.69 93.09 50.15 -67.34 -38.52 12.45 0.10 87.45 7.78 1.86 3.32 84.22 2.74 0.00 0.05 0.04 49 K H H 110.89 3.58 13.43 18.20 92.49 53.17 -64.41 -41.11 4.70 0.04 95.26 2.70 0.68 1.43 94.18 0.97 0.00 0.02 0.01 50 Q H H 104.86 1.57 16.06 16.80 92.11 49.92 -64.71 -41.23 2.98 0.02 97.00 1.54 0.38 1.02 96.39 0.65 0.00 0.01 0.01 51 A H H 54.73 2.24 16.04 18.33 91.98 50.09 -64.24 -41.33 2.62 0.02 97.36 1.27 0.29 0.96 96.95 0.51 0.00 0.01 0.01 52 L H H 64.27 4.58 14.24 20.56 92.08 50.32 -64.26 -41.36 1.68 0.01 98.31 0.68 0.17 0.67 98.19 0.28 0.00 0.00 0.00 53 E H H 99.01 2.56 16.47 19.25 91.69 50.59 -63.72 -41.51 1.03 0.00 98.97 0.35 0.09 0.43 99.00 0.14 0.00 0.00 0.00 54 L H H 92.17 1.77 16.53 17.59 91.77 49.83 -64.24 -41.37 0.87 0.00 99.12 0.25 0.07 0.39 99.17 0.12 0.00 0.00 0.00 55 K H H 111.15 2.23 16.14 18.33 91.92 49.87 -64.44 -41.07 0.93 0.00 99.07 0.24 0.07 0.44 99.14 0.11 0.00 0.00 0.00 56 R H H 122.27 3.10 15.40 19.21 92.02 50.23 -64.15 -41.19 0.73 0.00 99.27 0.18 0.05 0.35 99.33 0.08 0.00 0.00 0.00 57 Q H H 104.10 2.01 16.17 17.97 91.79 50.16 -64.66 -40.92 0.51 0.00 99.49 0.10 0.03 0.25 99.55 0.06 0.00 0.00 0.00 58 E H H 106.07 1.78 16.43 17.56 91.80 50.08 -64.73 -40.63 0.49 0.00 99.51 0.09 0.03 0.24 99.58 0.06 0.00 0.00 0.00 59 K H H 110.92 2.45 16.27 18.77 91.90 50.18 -64.66 -41.21 0.43 0.00 99.57 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 60 I H H 84.19 2.90 15.52 19.07 91.97 49.82 -64.33 -41.89 0.31 0.00 99.69 0.05 0.02 0.16 99.74 0.04 0.00 0.00 0.00 61 A H H 58.54 2.14 16.46 18.40 91.69 50.08 -63.79 -41.18 0.33 0.00 99.67 0.05 0.02 0.17 99.72 0.04 0.00 0.00 0.00 62 R H H 130.76 2.07 16.54 18.32 91.86 49.91 -64.76 -40.89 0.35 0.00 99.65 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 63 R H H 122.77 2.70 16.18 19.15 91.86 50.30 -64.74 -41.29 0.32 0.00 99.68 0.05 0.02 0.16 99.74 0.03 0.00 0.00 0.00 64 A H H 53.15 2.40 15.96 18.59 91.62 50.37 -63.78 -41.41 0.41 0.00 99.59 0.06 0.02 0.21 99.67 0.04 0.00 0.00 0.00 65 M H H 98.57 2.15 16.36 18.29 91.88 49.78 -64.38 -41.33 0.49 0.00 99.51 0.08 0.03 0.26 99.58 0.05 0.00 0.00 0.00 66 R H H 123.48 3.06 15.44 19.02 91.88 50.44 -64.44 -40.73 0.61 0.00 99.39 0.10 0.03 0.32 99.50 0.05 0.00 0.00 0.00 67 K H H 115.69 2.36 15.78 18.38 91.89 50.71 -64.67 -40.73 0.65 0.00 99.35 0.11 0.04 0.34 99.46 0.06 0.00 0.00 0.00 68 K H H 116.88 1.74 16.32 17.42 92.01 50.66 -64.35 -41.38 0.60 0.00 99.40 0.11 0.04 0.31 99.48 0.07 0.00 0.00 0.00 69 I H H 82.37 2.63 14.90 18.03 91.90 50.22 -64.17 -42.19 0.55 0.00 99.45 0.11 0.04 0.28 99.49 0.09 0.00 0.00 0.00 70 Y H H 106.21 3.87 13.21 18.31 92.11 50.03 -63.93 -41.80 0.61 0.00 99.39 0.11 0.04 0.33 99.37 0.15 0.00 0.00 0.00 71 E H H 105.55 2.40 13.04 16.25 91.97 50.57 -64.02 -40.85 0.95 0.00 99.05 0.17 0.07 0.53 98.97 0.25 0.00 0.00 0.00 72 E H H 133.15 1.08 13.14 13.64 92.32 49.46 -66.09 -39.02 2.12 0.00 97.88 0.26 0.14 1.45 97.48 0.67 0.00 0.00 0.00 73 E H H 127.95 2.12 11.39 14.26 93.01 50.11 -68.87 -33.88 7.50 0.01 92.50 0.50 0.44 6.00 92.22 0.82 0.00 0.00 0.00 74 L H H 102.60 3.71 9.37 14.63 96.12 49.21 -83.21 -9.81 42.45 0.07 57.48 2.30 2.74 35.73 57.87 1.28 0.01 0.02 0.05 75 G C T 59.10 1.41 11.73 13.80 99.19 -115.00 71.16 18.71 93.39 0.10 6.50 25.34 1.18 66.16 6.69 0.52 0.00 0.03 0.07 76 L C C 100.88 5.26 10.21 17.14 104.38 135.65 -81.78 53.03 99.98 0.01 0.01 99.92 0.05 0.02 0.00 0.00 0.00 0.00 0.00