# 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 112.28 6.47 12.40 20.07 112.52 -163.40 -94.07 126.50 99.92 0.06 0.02 99.86 0.06 0.04 0.01 0.00 0.00 0.02 0.01 1 G C C 47.51 4.59 11.28 17.21 113.40 -148.49 -104.61 164.11 90.61 2.86 6.53 84.26 1.62 5.58 3.41 2.25 0.00 1.69 1.18 2 W C C 177.02 3.64 9.27 14.54 107.10 -108.73 -88.69 46.52 77.47 6.15 16.38 49.84 12.56 15.36 7.29 8.79 0.02 3.75 2.40 3 Y C C 158.16 3.38 10.29 15.33 108.84 140.36 -91.88 94.54 74.79 6.78 18.43 44.13 15.80 15.47 9.30 8.84 0.02 4.13 2.30 4 A C C 69.66 5.38 10.53 17.50 110.13 -137.87 -89.66 115.06 70.26 5.24 24.50 43.61 15.94 10.83 16.69 7.94 0.02 2.90 2.07 5 L C C 87.47 6.50 11.51 19.61 114.65 -147.48 -91.19 136.86 59.25 1.60 39.15 38.39 15.26 5.32 37.05 2.68 0.01 0.73 0.56 6 P C H 72.06 5.63 15.00 21.84 107.75 -106.36 -68.86 142.05 50.95 0.78 48.27 37.39 4.76 7.25 47.56 2.37 0.00 0.41 0.26 7 S H H 50.57 11.01 13.57 24.86 97.69 -119.28 -67.25 -34.35 22.33 0.58 77.09 14.23 3.46 5.93 72.86 2.98 0.01 0.31 0.21 8 Y H H 126.32 6.93 16.17 23.89 94.61 58.66 -67.66 -36.65 7.15 0.39 92.45 3.46 1.27 3.03 89.73 2.11 0.02 0.27 0.11 9 V H H 79.63 4.34 18.49 23.21 93.39 52.76 -66.87 -40.72 4.43 0.78 94.80 2.44 0.69 1.67 93.23 1.18 0.01 0.65 0.13 10 I H H 57.26 10.80 17.80 29.14 92.97 49.50 -65.92 -42.00 2.89 0.88 96.23 1.59 0.40 0.97 95.62 0.55 0.01 0.76 0.10 11 V H H 37.97 14.20 17.77 32.09 92.51 49.05 -64.90 -42.30 1.85 0.30 97.85 0.91 0.24 0.68 97.66 0.25 0.00 0.23 0.03 12 S H H 51.10 5.85 21.34 27.58 92.23 50.63 -64.62 -41.54 1.44 0.06 98.50 0.53 0.16 0.68 98.40 0.17 0.00 0.04 0.01 13 A H H 47.19 5.76 21.84 28.04 92.25 50.40 -65.09 -41.44 1.14 0.01 98.85 0.25 0.10 0.65 98.84 0.15 0.00 0.01 0.00 14 A H H 24.18 14.76 19.17 34.17 92.27 49.93 -64.98 -42.11 0.77 0.01 99.22 0.16 0.06 0.45 99.19 0.12 0.00 0.00 0.00 15 W H H 93.76 11.97 21.38 33.04 92.16 49.77 -64.48 -42.09 0.84 0.01 99.15 0.16 0.07 0.50 99.13 0.13 0.00 0.00 0.00 16 A H H 52.71 4.35 23.99 27.98 91.83 49.83 -64.16 -42.33 1.12 0.01 98.87 0.18 0.09 0.72 98.86 0.15 0.00 0.00 0.00 17 A H H 37.94 8.51 22.03 31.17 92.00 49.22 -64.82 -41.78 1.81 0.00 98.18 0.19 0.13 1.33 98.17 0.19 0.00 0.00 0.00 18 G H H 10.88 16.46 18.07 34.85 92.31 50.73 -64.40 -41.93 3.74 0.01 96.25 0.41 0.24 2.70 96.34 0.30 0.00 0.00 0.00 19 F H H 93.52 6.96 22.78 30.06 91.83 49.77 -64.24 -41.95 2.34 0.01 97.66 0.38 0.20 1.59 97.41 0.41 0.00 0.00 0.00 20 W H H 127.72 4.09 23.80 27.51 91.72 49.31 -64.53 -42.24 1.92 0.01 98.07 0.36 0.18 1.30 97.68 0.47 0.00 0.00 0.00 21 A H H 19.45 13.70 18.70 33.32 92.06 50.54 -64.27 -41.98 3.73 0.01 96.26 0.42 0.25 2.98 95.80 0.54 0.00 0.00 0.00 22 I H H 50.30 12.18 19.74 32.30 91.88 49.92 -64.17 -41.95 2.65 0.01 97.34 0.38 0.23 1.94 97.09 0.35 0.00 0.00 0.00 23 D H H 74.88 3.98 22.78 26.39 91.97 50.27 -64.44 -40.94 3.18 0.01 96.81 0.52 0.22 2.10 96.86 0.28 0.00 0.00 0.00 24 T H H 46.51 8.07 19.76 28.81 92.35 49.61 -65.57 -41.55 2.69 0.01 97.30 0.35 0.19 1.86 97.30 0.29 0.00 0.00 0.00 25 Y H H 46.91 13.20 16.77 30.89 92.13 50.43 -64.40 -41.72 1.07 0.01 98.92 0.23 0.11 0.63 98.75 0.27 0.00 0.00 0.00 26 Q H H 80.26 4.94 18.93 24.49 91.75 51.25 -63.99 -40.69 1.59 0.02 98.38 0.33 0.16 1.01 98.02 0.46 0.01 0.01 0.00 27 I H H 76.39 3.46 17.03 21.25 92.13 50.22 -64.89 -41.20 3.02 0.05 96.93 0.56 0.32 2.12 95.90 1.04 0.02 0.03 0.01 28 Y H H 78.29 8.98 12.84 23.32 92.88 50.23 -66.63 -39.83 4.28 0.05 95.67 0.80 0.48 2.97 94.28 1.40 0.02 0.03 0.02 29 K H H 121.94 5.34 13.10 19.83 92.33 53.51 -67.31 -30.87 13.91 0.07 86.02 1.33 1.15 11.33 84.72 1.36 0.03 0.03 0.04 30 E C T 137.76 1.55 13.10 14.64 95.04 51.64 -85.39 -3.02 74.87 0.06 25.07 1.30 3.19 68.37 25.84 1.23 0.00 0.02 0.05 31 G C T 60.69 1.50 12.61 14.82 97.81 -99.89 80.45 11.32 97.11 0.04 2.85 5.81 5.91 85.27 2.61 0.36 0.00 0.02 0.02 32 K C C 119.46 4.09 10.70 16.85 116.64 135.11 -96.38 131.82 98.89 0.32 0.79 81.11 16.84 0.95 0.51 0.22 0.00 0.11 0.26 33 P C C 78.03 5.14 12.50 19.28 112.16 -104.61 -66.47 147.18 94.03 0.42 5.55 79.40 8.23 6.79 2.52 2.57 0.00 0.19 0.31 34 S C C 53.03 6.81 12.62 20.94 107.65 -133.05 -82.41 115.91 74.13 1.88 23.99 57.48 8.33 8.15 13.97 9.97 0.00 0.78 1.32 35 W H G 128.68 8.80 11.26 21.04 95.38 94.21 -66.67 -29.88 37.24 0.96 61.80 14.61 7.47 15.03 30.01 31.89 0.04 0.46 0.49 36 N H H 116.73 1.91 14.38 16.79 93.68 58.58 -69.64 -24.83 32.36 0.62 67.03 9.62 5.81 15.90 34.11 33.91 0.04 0.31 0.30 37 Q H H 113.85 3.18 13.79 17.89 96.72 54.22 -81.37 -15.87 35.67 0.81 63.52 9.70 8.04 17.54 32.65 31.19 0.07 0.38 0.44 38 N C C 55.02 10.63 10.74 22.26 104.60 52.86 -103.81 51.72 59.25 1.24 39.51 39.27 9.06 11.03 27.46 11.83 0.01 0.51 0.83 39 K H H 116.84 5.12 13.97 20.75 94.15 150.82 -64.04 -38.15 5.03 0.02 94.95 1.95 0.74 2.28 93.56 1.44 0.00 0.01 0.01 40 D H H 99.90 1.38 18.31 18.23 92.54 51.82 -65.37 -39.66 2.27 0.01 97.72 0.51 0.23 1.40 96.88 0.98 0.00 0.00 0.00 41 Q H H 62.64 8.02 16.48 25.92 92.04 50.31 -65.70 -40.65 0.85 0.00 99.15 0.20 0.08 0.49 98.51 0.71 0.00 0.00 0.00 42 F H H 42.49 14.94 14.41 29.82 91.89 50.63 -64.14 -41.88 0.34 0.00 99.66 0.08 0.03 0.17 99.52 0.20 0.00 0.00 0.00 43 Q H H 94.47 3.52 20.98 24.38 91.57 51.01 -63.77 -41.23 0.33 0.00 99.66 0.06 0.02 0.18 99.63 0.10 0.00 0.00 0.00 44 R H H 123.91 2.68 21.94 23.77 91.89 49.71 -64.82 -41.48 0.39 0.00 99.61 0.06 0.03 0.23 99.57 0.11 0.00 0.00 0.00 45 A H H 14.05 13.67 16.18 31.38 91.95 50.54 -63.84 -41.99 0.61 0.00 99.39 0.10 0.04 0.37 99.31 0.18 0.00 0.00 0.00 46 L H H 57.84 10.24 18.56 29.58 91.86 50.64 -63.75 -41.56 1.87 0.01 98.12 0.27 0.14 1.26 97.90 0.42 0.00 0.00 0.00 47 Y H H 130.00 2.33 21.56 22.72 91.89 49.84 -64.47 -41.64 4.75 0.02 95.24 0.47 0.30 3.65 94.99 0.58 0.00 0.01 0.01 48 R H H 106.29 5.50 19.72 25.80 92.30 49.70 -65.63 -40.80 7.51 0.03 92.46 0.93 0.59 5.58 92.21 0.65 0.01 0.01 0.02 49 R H H 63.66 13.89 16.19 30.25 92.45 51.41 -64.72 -40.94 4.43 0.03 95.53 1.11 0.55 2.59 95.29 0.44 0.00 0.01 0.01 50 D H H 69.63 5.58 19.18 25.50 92.14 50.68 -64.85 -40.06 2.72 0.01 97.26 0.77 0.26 1.54 97.11 0.32 0.00 0.00 0.00 51 W H H 129.59 2.52 20.43 22.08 92.12 50.75 -64.37 -41.89 0.82 0.00 99.18 0.19 0.07 0.47 99.05 0.22 0.00 0.00 0.00 52 Y H H 72.18 8.64 17.82 27.70 92.19 49.77 -64.56 -42.51 0.43 0.00 99.57 0.08 0.03 0.25 99.50 0.14 0.00 0.00 0.00 53 L H H 46.89 11.35 16.20 28.56 92.07 50.11 -64.36 -41.32 0.45 0.00 99.55 0.07 0.03 0.27 99.51 0.11 0.00 0.00 0.00 54 R H H 133.46 2.74 19.89 22.49 91.95 50.50 -64.34 -41.16 0.49 0.00 99.50 0.07 0.03 0.31 99.50 0.08 0.00 0.00 0.00 55 R H H 122.26 3.21 19.83 22.85 92.25 49.15 -65.26 -41.17 0.59 0.00 99.40 0.08 0.04 0.38 99.42 0.08 0.00 0.00 0.00 56 E H H 60.47 10.90 16.77 28.40 92.44 49.88 -65.23 -40.84 0.49 0.00 99.51 0.07 0.03 0.30 99.54 0.06 0.00 0.00 0.00 57 Q H H 80.08 8.36 17.90 27.01 92.08 51.12 -64.22 -41.03 0.32 0.00 99.68 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 58 E H H 106.11 2.57 20.21 22.17 92.31 49.92 -65.14 -41.29 0.45 0.00 99.55 0.05 0.03 0.29 99.54 0.09 0.00 0.00 0.00 59 T H H 54.47 5.52 18.71 25.12 92.24 48.77 -65.22 -41.93 0.79 0.00 99.21 0.10 0.05 0.54 99.09 0.21 0.00 0.00 0.00 60 I H H 44.97 10.11 15.78 27.31 92.23 49.29 -64.34 -41.92 0.85 0.00 99.15 0.10 0.06 0.60 98.89 0.34 0.00 0.00 0.00 61 G H H 25.38 5.59 14.70 22.23 91.91 51.52 -63.10 -41.26 1.41 0.00 98.59 0.21 0.11 0.94 97.74 1.00 0.00 0.00 0.00 62 M H H 120.56 1.84 15.83 17.48 92.45 50.10 -65.67 -39.67 2.11 0.01 97.88 0.15 0.12 1.66 95.49 2.57 0.00 0.00 0.00 63 F H H 121.59 5.32 13.65 19.98 93.07 50.39 -69.68 -31.63 5.79 0.01 94.20 0.22 0.27 5.20 92.35 1.95 0.01 0.00 0.00 64 L H H 86.70 6.42 11.87 19.80 95.76 45.66 -91.15 -3.21 48.20 0.07 51.73 0.93 2.01 44.77 50.31 1.87 0.03 0.02 0.06 65 G C T 62.66 0.93 14.30 14.66 96.58 -113.85 75.03 18.04 98.54 0.10 1.37 9.76 3.27 85.80 0.82 0.27 0.00 0.05 0.03 66 F C C 99.40 7.62 8.28 17.38 119.27 134.01 -99.34 141.64 95.61 1.53 2.85 80.41 10.32 4.79 1.34 1.42 0.00 0.73 0.98 67 D C C 115.54 1.81 12.75 15.45 111.38 -135.82 -93.30 118.04 94.73 1.99 3.29 77.25 9.37 8.09 1.20 1.99 0.00 1.12 0.99 68 Y C C 135.62 7.39 8.57 17.19 107.54 -172.26 -95.61 46.88 93.08 2.91 4.01 40.62 14.69 38.25 1.14 2.51 0.00 1.62 1.16 69 G C C 54.84 2.36 11.75 15.40 108.58 -62.11 84.61 5.15 97.34 0.96 1.70 57.97 5.24 34.48 0.44 0.93 0.00 0.60 0.34 70 A C C 73.02 5.10 11.82 18.46 109.20 35.62 -85.35 120.18 99.93 0.06 0.01 99.71 0.21 0.04 0.00 0.00 0.00 0.03 0.01