# 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 114.52 5.80 11.68 19.05 112.83 -153.38 -92.22 123.17 99.97 0.03 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 T C C 97.20 3.22 10.07 14.94 111.30 -165.84 -89.57 123.54 89.47 1.68 8.86 82.94 1.01 6.17 6.66 1.55 0.00 0.86 0.82 2 G C C 53.25 2.97 10.72 14.94 103.54 -89.85 -67.87 -22.51 77.72 2.27 20.00 44.64 14.03 18.82 16.13 4.20 0.01 1.16 1.01 3 G C C 46.02 3.88 10.74 16.02 104.14 62.29 -66.15 -38.00 66.50 2.85 30.65 43.00 11.50 11.46 26.69 4.76 0.01 1.62 0.97 4 L H H 105.77 3.81 10.97 16.15 100.93 45.76 -77.10 -26.17 41.85 6.65 51.50 30.38 6.58 6.33 44.93 5.42 0.04 5.01 1.32 5 V H H 88.46 4.80 11.38 17.59 100.31 55.13 -76.36 -30.34 28.04 8.13 63.83 19.40 4.90 5.72 55.79 6.09 0.07 6.90 1.12 6 L H H 97.85 4.53 12.06 17.94 96.84 55.73 -70.16 -35.36 23.98 5.42 70.60 15.75 4.37 5.90 60.80 7.74 0.05 4.64 0.74 7 N H H 94.64 3.39 13.79 18.07 95.89 53.11 -69.47 -34.01 27.72 3.36 68.92 17.67 4.63 7.08 59.23 8.11 0.03 2.67 0.58 8 A H H 53.64 5.44 12.26 19.30 94.43 56.78 -67.04 -34.11 28.71 2.91 68.38 16.30 5.06 8.79 57.99 9.01 0.05 2.19 0.61 9 I H H 89.53 6.17 11.85 19.44 95.68 53.41 -72.66 -31.13 32.44 4.17 63.38 18.63 6.06 9.69 54.31 7.19 0.07 3.14 0.92 10 S H H 70.63 4.02 12.79 18.09 97.84 59.64 -76.03 -21.20 46.19 4.71 49.10 27.78 7.07 12.17 42.96 5.44 0.04 3.46 1.08 11 R C C 159.88 2.65 12.43 16.23 100.76 60.43 -82.12 -9.36 58.31 5.48 36.21 33.20 11.36 13.95 31.70 4.68 0.04 3.66 1.41 12 A C C 71.17 4.57 10.90 17.02 103.82 75.76 -80.20 8.88 69.28 3.44 27.28 29.83 14.18 25.02 23.18 4.54 0.03 2.11 1.12 13 G C T 52.99 3.14 12.05 16.47 105.81 -9.24 69.38 -0.98 83.14 1.46 15.40 27.14 18.62 38.22 9.30 5.28 0.01 0.75 0.67 14 G C C 48.79 3.84 11.92 17.19 110.20 26.99 66.68 -126.11 81.09 2.06 16.85 32.38 22.40 27.15 8.21 7.80 0.01 1.02 1.03 15 A C C 77.67 3.77 11.42 16.60 105.84 -30.67 -82.59 79.23 75.69 3.49 20.82 38.63 18.98 18.49 11.75 8.72 0.02 1.82 1.59 16 M C C 124.13 3.80 11.12 16.35 102.70 80.60 -83.84 6.27 70.93 4.02 25.05 38.06 16.69 16.64 17.26 7.46 0.03 2.12 1.73 17 G C C 47.10 3.75 12.78 17.72 105.79 33.93 -27.09 -35.46 67.79 1.91 30.30 33.33 16.56 18.22 23.75 6.31 0.02 0.93 0.87 18 G C H 46.04 4.29 12.89 18.19 104.26 2.26 -40.46 -32.90 54.37 1.15 44.48 22.73 15.82 17.36 37.23 5.75 0.04 0.50 0.56 19 L H H 102.99 4.49 12.47 18.05 98.09 49.23 -74.19 -27.34 35.23 0.84 63.93 17.09 8.56 10.94 58.62 4.02 0.03 0.39 0.35 20 G H H 37.97 4.25 13.94 19.35 97.44 54.24 -60.44 -40.67 26.52 0.85 72.63 15.52 5.28 7.28 67.99 3.16 0.02 0.45 0.30 21 L H H 95.60 3.44 13.71 18.00 94.99 50.91 -68.19 -39.15 11.47 0.69 87.84 7.08 1.94 3.33 84.76 2.24 0.01 0.47 0.17 22 I H H 92.34 4.39 13.76 19.16 93.93 51.64 -67.30 -39.77 6.14 0.51 93.35 3.76 0.96 1.91 91.36 1.49 0.01 0.40 0.10 23 K H H 121.35 2.83 15.45 18.74 93.12 51.52 -66.47 -39.69 4.79 0.33 94.88 2.90 0.72 1.47 93.59 1.00 0.00 0.27 0.06 24 S H H 56.91 3.08 15.41 18.97 92.98 51.17 -65.48 -40.89 4.52 0.24 95.23 2.40 0.63 1.63 94.28 0.82 0.00 0.18 0.06 25 L H H 86.43 3.40 15.31 19.32 92.60 49.95 -65.16 -40.98 2.89 0.08 97.03 1.31 0.39 1.17 96.50 0.56 0.00 0.04 0.02 26 A H H 50.10 3.58 14.48 19.31 92.20 51.40 -64.07 -40.93 2.03 0.03 97.94 0.92 0.24 0.76 97.78 0.28 0.00 0.01 0.01 27 E H H 109.40 2.04 16.42 18.11 92.30 50.26 -64.79 -40.85 1.67 0.02 98.32 0.68 0.18 0.66 98.27 0.20 0.00 0.01 0.00 28 K H H 114.97 2.17 15.95 17.96 92.23 50.21 -64.74 -40.90 1.24 0.01 98.75 0.42 0.13 0.55 98.72 0.17 0.00 0.00 0.00 29 E H H 99.97 3.11 15.07 18.87 92.02 50.51 -64.64 -40.75 1.04 0.01 98.95 0.33 0.10 0.47 98.94 0.15 0.00 0.00 0.00 30 K H H 120.62 1.93 15.99 17.69 91.92 50.48 -64.39 -40.70 1.11 0.00 98.89 0.32 0.10 0.51 98.93 0.14 0.00 0.00 0.00 31 Q H H 100.73 1.74 16.38 17.38 91.97 50.13 -64.55 -40.95 1.26 0.00 98.73 0.33 0.10 0.60 98.82 0.14 0.00 0.00 0.00 32 L H H 80.91 2.90 15.14 18.61 91.96 50.12 -64.36 -41.05 1.11 0.00 98.88 0.31 0.10 0.52 98.93 0.14 0.00 0.00 0.00 33 L H H 86.30 2.78 15.23 18.57 91.89 50.94 -64.30 -40.68 1.01 0.00 98.99 0.29 0.08 0.46 99.04 0.12 0.00 0.00 0.00 34 E H H 112.20 1.63 16.30 17.14 92.03 50.53 -64.72 -40.46 1.10 0.00 98.90 0.30 0.09 0.52 98.96 0.13 0.00 0.00 0.00 35 R H H 143.21 1.55 16.09 16.92 91.93 49.82 -65.30 -40.95 1.02 0.00 98.98 0.28 0.09 0.49 99.02 0.12 0.00 0.00 0.00 36 L H H 86.78 2.93 14.97 18.47 92.06 49.91 -64.63 -41.56 0.80 0.00 99.20 0.24 0.07 0.36 99.21 0.12 0.00 0.00 0.00 37 E H H 106.33 1.94 16.38 17.89 91.93 50.16 -64.16 -41.23 0.76 0.00 99.24 0.21 0.07 0.36 99.25 0.12 0.00 0.00 0.00 38 A H H 56.70 1.91 16.32 17.76 91.85 50.30 -63.91 -41.02 1.02 0.00 98.98 0.22 0.08 0.55 99.01 0.14 0.00 0.00 0.00 39 A H H 53.26 2.73 15.01 18.42 91.88 50.71 -63.90 -40.68 1.24 0.00 98.76 0.30 0.11 0.62 98.82 0.15 0.00 0.00 0.00 40 K H H 119.22 2.20 15.71 18.02 92.08 50.82 -64.76 -40.35 1.30 0.00 98.70 0.38 0.12 0.59 98.76 0.14 0.00 0.00 0.00 41 K H H 122.64 1.48 16.75 17.13 91.92 50.23 -64.71 -41.53 1.14 0.00 98.86 0.32 0.11 0.52 98.92 0.13 0.00 0.00 0.00 42 E H H 108.32 1.66 16.67 17.47 91.91 49.50 -64.57 -41.06 1.03 0.00 98.97 0.28 0.09 0.47 99.04 0.12 0.00 0.00 0.00 43 A H H 49.36 3.14 14.44 18.67 91.72 50.55 -63.52 -40.98 0.86 0.00 99.14 0.21 0.07 0.40 99.21 0.11 0.00 0.00 0.00 44 E H H 106.80 2.02 15.88 17.72 91.89 50.66 -64.52 -40.66 0.77 0.00 99.23 0.18 0.06 0.36 99.31 0.09 0.00 0.00 0.00 45 E H H 107.64 1.59 16.14 16.91 91.84 50.43 -64.64 -41.00 0.76 0.00 99.24 0.18 0.06 0.36 99.32 0.08 0.00 0.00 0.00 46 R H H 134.90 1.80 15.82 17.20 91.85 50.09 -64.93 -41.31 0.74 0.00 99.26 0.19 0.06 0.34 99.32 0.08 0.00 0.00 0.00 47 V H H 81.42 2.59 14.79 17.81 91.94 49.67 -64.62 -41.47 0.64 0.00 99.36 0.18 0.05 0.28 99.42 0.07 0.00 0.00 0.00 48 K H H 124.35 1.55 16.17 16.97 91.76 50.15 -64.61 -41.15 0.68 0.00 99.32 0.17 0.05 0.31 99.39 0.08 0.00 0.00 0.00 49 R H H 140.90 1.40 16.50 16.78 91.86 49.76 -64.86 -40.75 0.81 0.00 99.19 0.18 0.07 0.41 99.24 0.10 0.00 0.00 0.00 50 A H H 52.71 2.69 14.88 18.21 91.75 50.45 -64.15 -41.19 0.76 0.00 99.24 0.17 0.06 0.38 99.29 0.10 0.00 0.00 0.00 51 E H H 108.46 2.26 15.96 18.25 92.01 50.36 -64.53 -40.68 0.74 0.00 99.26 0.17 0.06 0.36 99.31 0.09 0.00 0.00 0.00 52 A H H 58.71 1.85 16.32 17.66 91.70 50.44 -64.16 -41.56 0.77 0.00 99.23 0.16 0.06 0.39 99.29 0.09 0.00 0.00 0.00 53 E H H 113.75 1.58 16.84 17.46 91.78 49.53 -65.02 -40.72 0.84 0.00 99.16 0.17 0.07 0.44 99.22 0.10 0.00 0.00 0.00 54 A H H 51.95 3.07 14.73 18.69 91.74 50.74 -63.80 -41.00 0.89 0.00 99.11 0.20 0.06 0.45 99.18 0.11 0.00 0.00 0.00 55 K H H 121.59 1.79 16.27 17.57 91.77 50.33 -64.65 -40.40 0.96 0.00 99.04 0.22 0.07 0.48 99.11 0.11 0.00 0.00 0.00 56 A H H 58.30 1.83 15.96 17.36 91.78 50.83 -64.01 -40.96 1.11 0.00 98.89 0.28 0.09 0.54 98.97 0.11 0.00 0.00 0.00 57 L H H 93.01 2.00 15.68 17.41 91.92 49.93 -64.35 -41.29 0.85 0.00 99.15 0.28 0.07 0.36 99.19 0.10 0.00 0.00 0.00 58 L H H 92.18 2.52 14.98 17.81 91.87 50.05 -64.64 -41.06 0.63 0.00 99.37 0.19 0.05 0.27 99.41 0.08 0.00 0.00 0.00 59 E H H 114.31 1.55 16.16 16.89 91.86 50.31 -64.68 -40.96 0.63 0.00 99.37 0.15 0.05 0.30 99.42 0.08 0.00 0.00 0.00 60 E H H 113.30 1.46 16.48 16.87 91.75 49.62 -64.87 -40.88 0.69 0.00 99.31 0.14 0.06 0.35 99.37 0.09 0.00 0.00 0.00 61 A H H 52.20 2.84 14.73 18.31 91.77 50.58 -64.14 -41.10 0.67 0.00 99.32 0.14 0.05 0.34 99.38 0.09 0.00 0.00 0.00 62 E H H 109.58 2.14 15.85 17.89 91.80 50.32 -64.77 -40.70 0.70 0.00 99.30 0.15 0.05 0.36 99.35 0.08 0.00 0.00 0.00 63 A H H 59.93 1.78 16.20 17.40 91.77 50.24 -64.27 -41.19 0.85 0.00 99.15 0.18 0.07 0.44 99.22 0.09 0.00 0.00 0.00 64 K H H 124.99 1.50 16.57 17.14 91.97 49.51 -65.07 -40.51 0.90 0.00 99.10 0.19 0.07 0.46 99.17 0.10 0.00 0.00 0.00 65 A H H 53.14 3.02 14.60 18.44 91.83 50.73 -63.95 -41.27 0.92 0.00 99.08 0.23 0.07 0.44 99.14 0.11 0.00 0.00 0.00 66 K H H 126.48 1.61 16.23 17.22 91.74 50.22 -64.82 -40.37 1.05 0.00 98.95 0.29 0.09 0.51 98.98 0.13 0.00 0.00 0.00 67 A H H 60.79 1.77 16.05 17.26 91.92 50.55 -64.05 -41.20 1.15 0.00 98.85 0.33 0.11 0.54 98.90 0.13 0.00 0.00 0.00 68 L H H 91.31 2.08 15.73 17.57 91.93 49.80 -64.66 -41.12 1.03 0.00 98.97 0.33 0.09 0.46 98.99 0.13 0.00 0.00 0.00 69 E H H 103.08 2.34 15.54 17.95 91.88 50.35 -64.17 -40.86 0.92 0.00 99.08 0.23 0.08 0.46 99.12 0.12 0.00 0.00 0.00 70 A H H 55.59 2.02 15.27 17.31 91.61 50.67 -63.90 -40.91 1.39 0.00 98.61 0.29 0.12 0.75 98.68 0.15 0.00 0.00 0.00 71 Q H H 103.22 1.57 15.97 16.74 91.76 50.25 -64.50 -40.97 1.41 0.00 98.59 0.31 0.12 0.75 98.67 0.15 0.00 0.00 0.00 72 Y H H 123.93 2.26 14.92 17.29 91.91 50.07 -64.38 -41.42 1.17 0.00 98.82 0.33 0.11 0.57 98.85 0.14 0.00 0.00 0.00 73 R H H 134.09 2.11 15.08 17.20 91.76 50.59 -64.48 -40.68 0.88 0.00 99.12 0.26 0.08 0.40 99.13 0.12 0.00 0.00 0.00 74 E H H 112.22 1.53 15.58 16.41 91.91 50.25 -64.62 -40.72 0.82 0.00 99.18 0.22 0.07 0.40 99.19 0.11 0.00 0.00 0.00 75 R H H 142.08 1.35 15.79 16.14 91.88 49.77 -64.93 -41.08 0.97 0.00 99.02 0.24 0.09 0.51 99.04 0.12 0.00 0.00 0.00 76 E H H 98.47 2.52 14.75 17.64 91.94 49.92 -64.65 -40.90 1.10 0.00 98.90 0.29 0.10 0.55 98.93 0.13 0.00 0.00 0.00 77 R H H 137.52 1.96 15.39 17.26 91.71 50.41 -64.53 -40.64 1.14 0.00 98.86 0.31 0.11 0.55 98.90 0.12 0.00 0.00 0.00 78 A H H 60.71 1.73 15.82 16.98 91.89 50.51 -64.16 -40.89 1.24 0.00 98.75 0.31 0.12 0.63 98.83 0.11 0.00 0.00 0.00 79 E H H 111.64 1.67 16.34 17.28 92.07 49.75 -64.99 -40.75 1.08 0.00 98.92 0.26 0.10 0.55 98.98 0.11 0.00 0.00 0.00 80 T H H 66.58 3.35 14.65 18.74 91.89 50.17 -64.57 -41.17 0.77 0.00 99.23 0.19 0.07 0.37 99.28 0.09 0.00 0.00 0.00 81 E H H 113.20 1.78 16.16 17.46 91.67 50.42 -64.56 -40.55 0.48 0.00 99.52 0.11 0.04 0.23 99.56 0.06 0.00 0.00 0.00 82 A H H 60.63 1.72 16.30 17.34 91.76 50.47 -63.95 -41.12 0.50 0.00 99.50 0.10 0.03 0.26 99.55 0.06 0.00 0.00 0.00 83 L H H 84.56 2.69 15.70 18.57 91.87 49.87 -64.46 -41.43 0.40 0.00 99.60 0.08 0.03 0.20 99.63 0.06 0.00 0.00 0.00 84 L H H 83.86 3.52 15.08 19.10 91.80 50.22 -64.20 -41.03 0.35 0.00 99.65 0.07 0.02 0.18 99.69 0.05 0.00 0.00 0.00 85 A H H 57.50 1.99 15.91 17.71 91.64 50.87 -64.09 -40.88 0.49 0.00 99.51 0.09 0.03 0.26 99.56 0.06 0.00 0.00 0.00 86 R H H 138.72 1.45 16.60 16.96 91.75 49.90 -64.82 -40.91 0.63 0.00 99.37 0.10 0.04 0.35 99.43 0.07 0.00 0.00 0.00 87 Y H H 114.93 3.42 14.92 18.75 91.93 49.97 -64.52 -41.44 0.52 0.00 99.48 0.10 0.04 0.28 99.51 0.07 0.00 0.00 0.00 88 R H H 134.24 2.93 15.45 18.64 91.64 50.62 -64.00 -40.97 0.50 0.00 99.50 0.10 0.04 0.26 99.54 0.06 0.00 0.00 0.00 89 E H H 112.25 1.53 16.73 17.25 91.84 50.05 -64.69 -40.88 0.61 0.00 99.39 0.11 0.05 0.33 99.45 0.07 0.00 0.00 0.00 90 R H H 140.28 1.52 17.05 17.49 91.92 49.48 -65.03 -40.98 0.68 0.00 99.32 0.12 0.05 0.37 99.38 0.08 0.00 0.00 0.00 91 A H H 47.37 4.36 14.43 19.80 91.83 50.37 -64.32 -41.39 0.74 0.00 99.26 0.15 0.06 0.38 99.32 0.09 0.00 0.00 0.00 92 E H H 108.44 2.54 16.43 19.03 91.77 50.40 -64.06 -40.83 0.74 0.00 99.25 0.15 0.06 0.39 99.32 0.08 0.00 0.00 0.00 93 A H H 59.97 1.74 17.10 17.94 91.71 50.29 -63.85 -41.45 0.71 0.00 99.29 0.13 0.05 0.37 99.36 0.08 0.00 0.00 0.00 94 E H H 109.80 2.05 17.26 18.61 91.92 49.54 -65.05 -40.72 0.76 0.00 99.24 0.15 0.05 0.39 99.32 0.08 0.00 0.00 0.00 95 A H H 46.22 4.95 14.36 20.43 91.83 50.79 -63.82 -41.33 0.63 0.00 99.37 0.13 0.04 0.32 99.44 0.07 0.00 0.00 0.00 96 K H H 120.76 1.86 17.12 18.39 91.76 50.56 -64.67 -40.47 0.56 0.00 99.44 0.10 0.04 0.28 99.52 0.06 0.00 0.00 0.00 97 A H H 57.72 1.82 16.76 17.90 91.65 50.97 -63.69 -41.46 0.60 0.00 99.40 0.11 0.04 0.30 99.49 0.06 0.00 0.00 0.00 98 V H H 73.29 3.91 15.45 19.78 91.92 49.61 -64.28 -41.90 0.46 0.00 99.54 0.10 0.03 0.21 99.60 0.05 0.00 0.00 0.00 99 R H H 128.45 4.02 15.38 19.94 91.74 50.47 -64.14 -41.18 0.48 0.00 99.52 0.09 0.03 0.23 99.59 0.06 0.00 0.00 0.00 100 E H H 115.12 1.54 17.21 17.67 92.01 49.88 -64.86 -41.26 0.64 0.00 99.36 0.10 0.04 0.34 99.42 0.09 0.00 0.00 0.00 101 K H H 122.26 1.67 17.11 17.79 91.99 49.59 -64.66 -40.64 1.04 0.00 98.96 0.15 0.08 0.63 98.95 0.19 0.00 0.00 0.00 102 A H H 42.90 6.37 13.52 21.20 91.99 50.67 -64.55 -40.38 2.12 0.00 97.88 0.28 0.16 1.37 97.75 0.43 0.00 0.00 0.00 103 M H H 105.01 3.28 15.58 19.45 92.03 51.82 -64.83 -39.42 4.65 0.01 95.34 0.56 0.34 3.34 94.12 1.63 0.00 0.00 0.00 104 A H H 67.23 1.75 16.37 17.44 92.13 51.60 -65.79 -37.62 20.35 0.02 79.63 1.01 0.92 17.89 78.16 1.99 0.01 0.01 0.01 105 R H H 128.99 3.61 15.32 19.34 94.30 49.54 -75.86 -25.60 38.71 0.04 61.25 2.80 1.56 32.86 60.78 1.96 0.00 0.01 0.03 106 L H H 74.59 7.46 12.91 21.60 92.40 65.15 -62.56 -42.21 3.36 0.01 96.63 1.52 0.41 1.11 96.41 0.52 0.00 0.00 0.00 107 D H H 95.04 2.26 16.79 19.03 92.15 51.15 -64.63 -40.25 1.34 0.00 98.66 0.44 0.11 0.59 98.47 0.39 0.00 0.00 0.00 108 E H H 117.40 1.63 17.75 18.33 92.08 49.79 -65.95 -40.29 0.76 0.00 99.24 0.19 0.06 0.38 99.02 0.34 0.00 0.00 0.00 109 A H H 45.63 5.38 15.21 21.52 92.04 50.53 -64.45 -41.75 0.42 0.00 99.57 0.11 0.03 0.20 99.52 0.14 0.00 0.00 0.00 110 V H H 64.97 5.78 15.43 21.89 91.80 50.44 -63.95 -42.02 0.29 0.00 99.71 0.06 0.02 0.13 99.74 0.05 0.00 0.00 0.00 111 A H H 56.25 2.69 16.36 19.30 91.48 51.08 -63.73 -41.15 0.20 0.00 99.80 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 112 L H H 88.26 2.39 16.03 18.32 91.91 50.36 -64.45 -41.46 0.20 0.00 99.80 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 113 V H H 70.07 5.08 14.13 19.61 91.90 49.68 -64.78 -41.62 0.28 0.00 99.72 0.03 0.01 0.17 99.70 0.08 0.00 0.00 0.00 114 L H H 87.20 4.68 12.67 18.22 92.17 50.44 -65.10 -38.81 0.63 0.00 99.37 0.06 0.03 0.42 99.19 0.29 0.00 0.00 0.00 115 K H H 140.30 1.64 12.85 14.99 91.79 54.21 -65.95 -36.10 4.24 0.00 95.76 0.22 0.18 3.69 94.62 1.28 0.00 0.00 0.00 116 E H H 132.85 1.89 12.22 14.38 93.23 52.06 -70.57 -32.00 17.24 0.02 82.74 0.66 0.69 15.75 81.36 1.51 0.01 0.00 0.01 117 V H H 96.88 4.14 10.20 14.87 97.90 43.81 -86.46 -23.74 32.42 0.12 67.46 3.39 2.37 25.92 66.90 1.27 0.02 0.04 0.10 118 L C C 98.12 5.31 7.92 14.79 110.20 70.97 -90.69 112.24 99.52 0.20 0.28 90.47 8.57 0.43 0.28 0.04 0.00 0.06 0.16 119 P C C 99.71 2.53 12.55 16.25 108.34 -120.26 -70.86 136.08 99.99 0.01 0.00 99.94 0.04 0.01 0.00 0.00 0.00 0.00 0.00