# 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 102.26 6.95 13.35 21.38 113.79 -152.03 -87.15 135.68 99.94 0.03 0.03 99.87 0.06 0.04 0.01 0.00 0.00 0.01 0.00 1 A C C 59.05 7.31 10.15 18.76 108.22 -113.99 -72.21 133.70 87.85 1.19 10.96 80.82 1.16 6.89 7.99 1.91 0.00 0.56 0.69 2 N C C 116.62 2.63 11.31 15.27 101.37 -161.37 -85.07 -5.33 85.90 1.02 13.08 53.40 20.20 11.91 10.31 3.08 0.00 0.39 0.70 3 H C C 104.65 5.16 10.20 17.06 110.84 86.51 -89.14 113.18 72.85 1.18 25.97 37.00 29.46 6.23 23.91 2.29 0.01 0.33 0.76 4 K H H 139.44 2.66 12.82 16.67 94.61 -110.24 -65.60 -37.44 14.51 0.13 85.36 5.66 3.14 6.33 81.28 3.45 0.01 0.05 0.07 5 S H H 62.35 2.35 14.77 17.37 93.30 52.30 -66.65 -39.12 12.02 0.11 87.87 4.65 1.85 5.78 83.93 3.67 0.01 0.05 0.05 6 A H H 33.20 6.82 13.14 22.11 92.79 52.58 -65.35 -40.07 6.38 0.08 93.54 3.42 0.95 2.32 90.45 2.78 0.00 0.04 0.03 7 L H H 65.15 7.20 14.13 22.97 92.46 52.06 -64.72 -41.07 2.86 0.03 97.11 1.48 0.41 1.03 96.15 0.90 0.00 0.02 0.01 8 K H H 120.78 2.13 17.84 19.62 92.18 50.96 -64.93 -40.90 2.21 0.03 97.76 1.04 0.28 0.85 97.30 0.51 0.00 0.01 0.01 9 R H H 132.71 2.83 17.75 20.78 92.33 50.27 -65.71 -40.69 2.41 0.03 97.56 1.07 0.29 0.97 97.17 0.48 0.00 0.01 0.01 10 I H H 62.21 8.38 15.60 25.26 92.67 49.82 -65.52 -41.46 2.47 0.03 97.51 1.00 0.31 1.05 97.18 0.44 0.00 0.01 0.01 11 R H H 120.74 3.82 18.19 22.47 92.30 50.32 -64.58 -41.14 3.86 0.03 96.12 1.43 0.48 1.72 95.88 0.46 0.00 0.01 0.01 12 S H H 53.86 2.87 18.19 21.05 92.19 50.11 -64.87 -40.88 8.00 0.03 91.97 2.64 0.99 3.78 92.07 0.49 0.00 0.01 0.02 13 N H H 60.82 6.94 16.15 24.50 92.67 50.72 -65.89 -39.85 7.58 0.02 92.40 3.07 1.03 2.84 92.62 0.43 0.00 0.01 0.01 14 E H H 94.31 5.23 17.29 23.38 92.39 51.67 -65.02 -40.73 3.23 0.01 96.76 1.10 0.40 1.38 96.81 0.29 0.00 0.00 0.00 15 K H H 119.95 2.20 19.17 20.72 91.90 50.22 -65.04 -41.15 2.02 0.01 97.97 0.66 0.23 0.90 97.97 0.23 0.00 0.00 0.00 16 R H H 114.31 5.79 17.83 24.53 92.33 49.86 -65.11 -40.74 1.17 0.00 98.83 0.37 0.12 0.51 98.83 0.17 0.00 0.00 0.00 17 R H H 101.89 8.54 17.28 26.61 91.90 50.86 -64.46 -41.07 0.99 0.00 99.00 0.27 0.10 0.47 99.02 0.14 0.00 0.00 0.00 18 V H H 74.88 3.18 20.37 23.20 91.84 49.50 -64.47 -41.99 0.82 0.00 99.18 0.20 0.08 0.41 99.20 0.11 0.00 0.00 0.00 19 L H H 76.99 4.20 20.37 24.83 91.85 49.60 -64.24 -41.87 0.66 0.00 99.33 0.14 0.06 0.34 99.37 0.09 0.00 0.00 0.00 20 N H H 34.59 13.34 16.23 30.39 92.27 50.33 -64.89 -40.72 0.96 0.00 99.04 0.18 0.08 0.53 99.11 0.10 0.00 0.00 0.00 21 R H H 119.87 5.63 20.19 26.45 91.85 51.17 -63.81 -41.10 0.72 0.00 99.27 0.13 0.06 0.41 99.31 0.09 0.00 0.00 0.00 22 Y H H 124.40 2.50 22.31 23.43 91.85 49.18 -64.64 -41.86 0.70 0.00 99.30 0.13 0.06 0.39 99.33 0.08 0.00 0.00 0.00 23 Q H H 51.88 11.72 19.11 31.44 91.85 49.37 -64.85 -41.89 0.79 0.00 99.21 0.14 0.06 0.46 99.26 0.08 0.00 0.00 0.00 24 H H H 48.09 15.44 17.74 33.02 91.76 50.93 -63.72 -41.49 0.68 0.00 99.32 0.13 0.05 0.38 99.38 0.06 0.00 0.00 0.00 25 K H H 114.82 2.65 23.93 25.60 91.61 50.27 -64.23 -41.27 0.47 0.00 99.53 0.07 0.03 0.27 99.57 0.05 0.00 0.00 0.00 26 T H H 60.46 4.83 22.88 27.79 91.74 48.96 -64.66 -41.87 0.49 0.00 99.51 0.06 0.03 0.30 99.55 0.05 0.00 0.00 0.00 27 T H H 10.12 20.72 16.62 37.41 91.76 50.02 -64.37 -42.54 0.26 0.00 99.74 0.03 0.02 0.15 99.77 0.03 0.00 0.00 0.00 28 R H H 105.61 9.48 22.08 31.67 91.38 50.95 -62.76 -41.98 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.02 0.00 0.00 0.00 29 N H H 90.05 1.89 25.24 24.95 91.59 49.64 -64.40 -41.33 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 30 A H H 17.53 13.29 19.54 33.84 91.76 50.57 -64.39 -42.24 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 31 I H H 19.83 19.61 17.45 36.87 91.38 50.30 -63.35 -42.70 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 32 K H H 113.57 2.89 23.78 26.04 91.30 50.70 -63.13 -41.29 0.17 0.00 99.83 0.01 0.01 0.12 99.80 0.07 0.00 0.00 0.00 33 A H H 54.39 3.89 22.28 26.05 91.60 49.67 -64.60 -40.55 0.62 0.00 99.38 0.03 0.02 0.49 99.08 0.37 0.00 0.00 0.00 34 L H H 12.69 20.95 13.64 34.52 91.68 50.99 -64.79 -39.08 1.57 0.00 98.43 0.08 0.07 1.30 97.04 1.51 0.00 0.00 0.00 35 R H H 122.35 9.70 18.31 28.50 91.13 56.51 -67.18 -27.88 12.77 0.01 87.22 0.42 0.48 11.71 85.75 1.63 0.01 0.00 0.00 36 L H H 126.60 1.32 20.08 19.80 93.88 55.02 -84.91 -10.60 46.16 0.04 53.80 2.71 2.48 39.20 53.53 2.02 0.00 0.01 0.04 37 A C C 27.11 14.96 8.05 22.94 116.23 104.12 -77.43 138.96 97.27 0.15 2.59 87.25 6.91 2.89 2.43 0.34 0.00 0.04 0.15 38 T C C 114.46 1.38 16.00 17.59 99.51 -171.03 -97.20 -15.40 99.12 0.14 0.74 75.67 21.35 2.06 0.54 0.19 0.00 0.05 0.15 39 D C C 87.69 2.58 16.62 19.46 119.60 74.27 -95.62 140.14 98.26 0.39 1.35 54.42 42.17 1.58 1.04 0.27 0.00 0.08 0.44 40 K H H 113.82 10.02 11.77 22.71 93.06 -130.95 -59.97 -38.01 13.81 0.05 86.13 3.35 3.89 6.55 83.38 2.77 0.01 0.02 0.03 41 S H H 83.86 1.16 18.30 18.03 92.04 53.52 -64.33 -40.06 9.96 0.04 90.00 1.92 1.43 6.37 87.05 3.17 0.01 0.02 0.02 42 D H H 72.95 4.00 18.21 22.76 92.37 47.66 -66.98 -38.39 6.57 0.05 93.37 2.47 0.85 3.17 89.88 3.57 0.00 0.03 0.02 43 A H H 6.80 19.93 11.32 31.47 91.33 52.34 -62.98 -42.28 3.01 0.02 96.96 1.15 0.37 1.29 95.15 2.03 0.00 0.01 0.00 44 A H H 54.12 7.79 19.76 28.23 91.62 52.21 -63.55 -39.22 3.45 0.02 96.53 0.66 0.30 2.23 93.86 2.94 0.00 0.01 0.00 45 A H H 69.80 1.69 23.65 23.09 91.98 51.79 -66.28 -37.66 9.51 0.02 90.48 0.61 0.48 8.25 87.32 3.32 0.01 0.01 0.00 46 K H H 55.67 13.75 18.44 32.20 94.11 48.25 -74.24 -31.17 12.15 0.02 87.83 0.80 0.57 10.70 85.57 2.35 0.00 0.01 0.01 47 L H H 19.81 21.72 15.40 36.48 91.93 66.05 -60.96 -43.60 1.17 0.00 98.82 0.33 0.11 0.48 98.85 0.23 0.00 0.00 0.00 48 S H H 64.29 3.49 23.47 26.78 91.43 51.32 -63.52 -39.79 0.33 0.00 99.67 0.06 0.01 0.16 99.62 0.14 0.00 0.00 0.00 49 T H H 73.51 3.81 24.12 27.60 91.76 49.68 -65.43 -41.28 0.16 0.00 99.84 0.02 0.00 0.09 99.79 0.10 0.00 0.00 0.00 50 V H H 6.60 22.32 18.03 40.41 91.47 49.09 -64.29 -43.61 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.03 0.00 0.00 0.00 51 I H H 40.67 16.00 20.91 36.39 91.18 50.51 -62.58 -42.49 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 52 S H H 60.35 2.20 25.46 25.89 91.20 50.61 -63.39 -41.93 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 53 M H H 46.61 11.41 22.20 34.14 91.71 49.45 -64.54 -42.38 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 54 I H H 6.02 24.09 16.96 41.17 91.47 49.03 -63.79 -42.70 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 D H H 64.93 7.15 22.71 30.27 91.35 51.20 -62.98 -41.42 0.24 0.00 99.76 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 56 K H H 107.39 2.65 23.91 25.40 91.85 49.96 -64.63 -41.36 0.49 0.00 99.51 0.02 0.02 0.37 99.50 0.09 0.00 0.00 0.00 57 L H H 15.36 15.03 16.40 32.81 92.03 49.75 -65.16 -41.22 0.98 0.00 99.01 0.08 0.08 0.73 98.84 0.27 0.00 0.00 0.00 58 A H H 23.91 14.19 14.31 29.15 91.85 52.07 -63.76 -40.92 2.82 0.01 97.17 0.27 0.18 2.24 96.52 0.77 0.01 0.00 0.00 59 K H H 153.88 1.31 18.47 19.09 90.75 53.10 -64.35 -31.64 10.48 0.02 89.50 0.28 0.40 10.41 88.07 0.79 0.03 0.01 0.01 60 K C T 114.84 4.35 15.17 20.75 93.36 52.39 -88.92 2.73 89.19 0.03 10.78 0.34 3.07 85.28 10.73 0.52 0.00 0.01 0.04 61 N C T 121.38 3.09 16.48 21.01 93.34 -116.80 62.92 31.74 99.27 0.01 0.72 0.41 3.77 95.19 0.53 0.08 0.00 0.00 0.00 62 I C S 51.63 12.61 15.70 29.14 96.78 127.04 -81.54 -29.07 99.57 0.21 0.22 5.42 91.08 3.09 0.21 0.04 0.00 0.07 0.09 63 I C S 15.09 21.11 11.31 32.03 131.94 25.53 -133.38 148.55 95.99 3.74 0.28 12.89 81.99 1.52 0.19 0.07 0.00 0.84 2.50 64 H C C 103.53 3.39 20.21 23.17 115.92 -104.51 -71.54 152.50 98.31 1.26 0.42 96.28 1.77 0.32 0.30 0.07 0.00 0.78 0.47 65 D C T 101.09 6.44 13.44 21.73 92.55 -109.05 -58.72 -36.70 65.78 0.16 34.06 3.25 8.31 53.10 31.24 3.86 0.02 0.06 0.16 66 N C T 118.34 1.22 19.38 18.94 92.35 52.72 -66.96 -33.09 58.23 0.11 41.66 3.07 6.08 47.38 40.61 2.71 0.02 0.03 0.10 67 K H H 81.90 8.69 18.54 27.79 93.12 50.79 -67.76 -38.53 12.72 0.09 87.19 5.19 2.24 5.52 84.55 2.41 0.01 0.03 0.05 68 A H H 6.99 20.69 12.65 33.55 91.69 52.96 -62.89 -42.53 2.60 0.01 97.39 0.90 0.33 1.23 96.68 0.85 0.00 0.00 0.00 69 S H H 58.61 3.98 21.83 25.77 91.55 51.59 -63.52 -40.94 1.20 0.00 98.80 0.36 0.13 0.60 98.24 0.66 0.00 0.00 0.00 70 N H H 90.94 2.27 23.36 24.17 92.07 49.49 -65.22 -40.95 0.98 0.00 99.02 0.25 0.09 0.52 98.70 0.43 0.00 0.00 0.00 71 L H H 26.51 16.80 17.98 34.80 92.10 49.65 -64.90 -42.20 0.84 0.00 99.16 0.17 0.08 0.47 99.07 0.22 0.00 0.00 0.00 72 K H H 68.02 15.48 19.07 33.75 91.45 51.87 -62.17 -42.09 1.20 0.00 98.80 0.23 0.10 0.68 98.81 0.17 0.00 0.00 0.00 73 S H H 61.94 2.17 23.66 24.14 91.48 50.40 -63.75 -41.16 1.64 0.00 98.36 0.30 0.10 0.94 98.50 0.16 0.00 0.00 0.00 74 K H H 96.90 5.26 22.28 27.77 91.97 49.43 -65.64 -41.04 1.53 0.00 98.47 0.20 0.09 0.99 98.53 0.18 0.00 0.00 0.00 75 L H H 13.29 20.70 15.19 36.10 92.14 50.63 -64.50 -42.25 1.16 0.00 98.84 0.24 0.09 0.64 98.79 0.23 0.00 0.00 0.00 76 T H H 56.79 7.85 20.01 28.57 91.72 51.28 -63.32 -41.63 0.75 0.00 99.25 0.20 0.06 0.35 99.23 0.17 0.00 0.00 0.00 77 K H H 124.50 1.54 21.97 21.46 92.05 50.29 -64.57 -41.30 0.46 0.00 99.54 0.08 0.03 0.25 99.44 0.20 0.00 0.00 0.00 78 H H H 62.36 9.45 17.21 27.88 92.42 49.23 -65.60 -40.82 0.69 0.00 99.31 0.10 0.04 0.42 99.05 0.39 0.00 0.00 0.00 79 V H H 30.52 16.36 12.55 29.13 92.05 50.57 -64.60 -40.88 1.49 0.00 98.50 0.16 0.09 1.03 97.89 0.83 0.00 0.00 0.00 80 A H H 74.83 3.08 15.37 19.52 91.67 53.61 -66.16 -30.48 13.45 0.01 86.54 0.61 0.52 11.77 85.91 1.17 0.00 0.00 0.01 81 K H H 152.43 1.35 15.15 16.17 93.66 54.05 -76.64 -17.55 48.33 0.03 51.64 5.85 0.57 39.17 53.22 1.14 0.00 0.01 0.02 82 L C C 65.80 13.78 11.19 24.52 98.19 69.80 -75.24 -19.47 99.70 0.02 0.28 99.14 0.21 0.36 0.27 0.01 0.00 0.00 0.01