# 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 H C C 120.12 4.95 11.73 18.25 113.63 -162.70 -92.48 127.34 99.94 0.02 0.03 99.87 0.07 0.04 0.02 0.00 0.00 0.01 0.00 1 Q C C 122.13 3.09 9.56 14.40 108.10 -127.31 -78.33 128.65 75.25 0.58 24.17 70.76 0.91 5.71 18.73 3.31 0.00 0.26 0.32 2 H C C 132.28 3.28 9.00 13.98 102.95 -132.17 -80.56 -5.57 60.92 0.79 38.28 39.55 8.87 12.56 29.37 8.84 0.00 0.36 0.45 3 S C H 70.75 4.05 9.31 15.04 105.76 60.86 -80.79 39.63 52.08 0.95 46.97 31.84 9.49 11.32 34.94 11.47 0.01 0.43 0.50 4 R H H 147.18 3.45 10.87 15.86 102.13 90.01 -79.40 -11.89 46.51 1.05 52.44 31.31 8.39 7.75 42.99 8.60 0.01 0.50 0.46 5 R H H 127.53 5.79 10.76 18.07 104.51 75.84 -80.99 37.88 47.54 1.03 51.43 33.92 7.05 7.42 45.76 4.91 0.01 0.46 0.47 6 R H H 133.27 4.55 11.94 18.01 107.05 -113.90 -79.84 99.08 46.42 0.50 53.08 33.14 6.34 6.65 50.61 2.82 0.00 0.20 0.23 7 Q H H 116.98 3.21 12.79 17.22 98.34 -109.36 -67.79 -33.48 31.35 0.26 68.39 11.80 4.82 14.63 65.95 2.54 0.01 0.11 0.13 8 G H H 39.30 3.40 14.71 18.91 95.45 44.75 -58.53 -35.41 28.01 0.17 71.82 9.11 3.85 14.67 70.11 2.09 0.01 0.07 0.09 9 W H H 94.45 7.79 13.86 23.12 93.32 57.11 -66.19 -40.92 6.96 0.07 92.97 3.56 1.03 2.46 91.69 1.19 0.00 0.03 0.02 10 L H H 59.39 9.25 14.13 24.74 92.41 51.48 -64.93 -40.61 2.95 0.04 97.01 1.38 0.37 1.18 96.28 0.76 0.00 0.02 0.01 11 K H H 113.75 2.14 18.16 19.75 91.80 50.93 -64.72 -40.83 1.52 0.02 98.46 0.60 0.20 0.67 98.02 0.49 0.00 0.01 0.00 12 E H H 89.15 3.92 17.64 22.20 92.09 50.40 -64.84 -41.20 1.33 0.01 98.65 0.44 0.16 0.66 98.36 0.37 0.00 0.01 0.00 13 I H H 39.95 12.35 14.24 27.74 92.31 50.16 -65.12 -41.43 1.28 0.01 98.71 0.38 0.14 0.66 98.48 0.33 0.00 0.01 0.00 14 R H H 119.00 4.77 17.32 23.03 91.90 51.79 -63.74 -40.80 1.48 0.02 98.50 0.39 0.16 0.81 98.15 0.47 0.00 0.01 0.00 15 K H H 119.06 1.89 18.46 19.44 92.17 50.25 -65.19 -40.24 3.14 0.02 96.84 0.60 0.31 2.03 96.15 0.88 0.01 0.01 0.01 16 L H H 55.96 8.69 14.28 24.59 92.76 50.21 -66.29 -38.40 6.41 0.04 93.54 1.42 0.79 3.99 92.35 1.39 0.01 0.02 0.02 17 Q H H 74.27 10.67 13.10 24.48 92.90 55.02 -67.33 -35.01 18.19 0.14 81.68 4.26 2.13 11.40 79.97 2.09 0.02 0.06 0.07 18 K H H 148.28 1.59 16.77 17.98 94.44 52.80 -74.88 -23.21 39.18 0.25 60.57 6.58 5.20 27.12 58.26 2.56 0.03 0.09 0.15 19 S C C 59.86 4.25 14.19 19.54 108.93 52.34 -92.53 17.72 68.08 0.63 31.28 35.78 11.76 19.85 28.65 3.32 0.00 0.22 0.43 20 T C H 62.22 9.70 12.29 22.77 100.04 61.13 -82.23 -15.42 54.13 0.74 45.13 26.86 13.04 15.04 36.18 8.12 0.01 0.28 0.46 21 H H H 116.42 5.31 15.12 21.63 96.64 81.66 -67.26 -18.03 41.03 0.55 58.42 15.14 8.86 17.71 46.76 10.96 0.04 0.25 0.29 22 L H H 74.13 6.27 14.72 22.49 95.16 67.62 -68.50 -35.60 30.88 0.78 68.34 11.37 5.80 14.06 53.35 14.61 0.05 0.43 0.32 23 L H H 62.76 9.51 14.79 25.39 94.78 54.77 -70.13 -37.47 23.06 0.99 75.95 8.09 4.37 10.71 58.54 17.23 0.09 0.62 0.34 24 I H H 63.30 11.45 14.19 26.12 95.95 51.95 -71.70 -33.07 23.82 1.00 75.18 7.42 4.34 11.75 54.34 21.08 0.11 0.59 0.38 25 R H H 137.49 4.84 16.70 22.54 95.12 55.44 -71.22 -29.30 38.86 0.68 60.46 7.81 5.81 23.56 42.54 19.43 0.12 0.35 0.38 26 K C T 115.29 5.86 16.58 23.24 97.93 51.12 -82.23 -12.54 52.50 0.54 46.96 10.29 8.24 33.32 32.99 14.43 0.08 0.24 0.42 27 L C H 52.46 12.43 13.38 26.43 109.21 92.63 -79.27 132.59 51.88 0.23 47.89 22.85 21.17 6.28 47.94 1.56 0.01 0.06 0.14 28 P H H 67.34 5.74 18.67 25.22 94.09 -125.59 -62.75 -35.54 17.00 0.09 82.91 6.61 2.16 7.79 81.72 1.64 0.01 0.03 0.05 29 F H H 60.53 13.47 17.50 31.05 93.04 52.33 -65.86 -39.68 4.63 0.03 95.35 1.39 0.53 2.50 94.36 1.19 0.00 0.01 0.01 30 S H H 27.27 12.75 17.43 30.92 92.12 52.82 -64.07 -40.49 1.03 0.00 98.96 0.33 0.11 0.47 98.58 0.51 0.00 0.00 0.00 31 R H H 117.20 4.49 22.20 26.67 91.88 50.93 -64.84 -40.70 0.60 0.00 99.40 0.15 0.05 0.30 99.28 0.22 0.00 0.00 0.00 32 L H H 58.52 8.27 20.82 29.83 92.00 50.38 -64.49 -42.20 0.42 0.00 99.58 0.08 0.03 0.23 99.58 0.09 0.00 0.00 0.00 33 A H H 14.81 17.00 17.37 34.61 91.88 50.87 -64.08 -42.00 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 34 R H H 108.12 8.61 20.81 29.69 91.83 51.06 -63.89 -41.22 0.26 0.00 99.74 0.03 0.01 0.16 99.75 0.06 0.00 0.00 0.00 35 E H H 94.68 3.51 22.53 25.35 91.71 50.20 -64.36 -41.87 0.42 0.00 99.58 0.04 0.02 0.30 99.55 0.09 0.00 0.00 0.00 36 I H H 41.13 10.19 18.88 30.38 92.07 49.44 -64.73 -42.21 0.60 0.00 99.39 0.06 0.04 0.41 99.24 0.25 0.00 0.00 0.00 37 C H H 19.32 15.21 14.73 30.80 92.08 50.86 -64.51 -40.18 1.44 0.00 98.56 0.15 0.09 1.03 97.68 1.04 0.00 0.00 0.00 38 V H H 79.45 4.70 18.00 23.40 92.18 51.09 -65.69 -37.79 6.21 0.01 93.78 0.38 0.34 5.39 91.39 2.47 0.01 0.00 0.00 39 K H H 131.14 2.40 18.10 20.31 93.19 50.39 -70.22 -33.26 12.50 0.03 87.47 0.83 0.92 10.64 85.49 2.06 0.02 0.01 0.02 40 F H H 79.88 10.21 12.86 24.04 98.91 47.04 -88.03 -12.78 36.62 0.60 62.77 11.87 9.35 17.30 58.21 2.61 0.07 0.20 0.40 41 T C C 61.47 9.91 10.84 21.55 103.68 79.66 -81.50 17.45 69.85 1.31 28.84 46.51 6.24 15.99 26.16 3.72 0.00 0.58 0.80 42 R C T 170.99 2.24 12.60 15.98 105.20 105.12 -75.01 98.43 77.07 0.90 22.03 19.04 13.34 44.76 17.03 4.84 0.02 0.39 0.59 43 G C T 58.62 1.74 12.91 15.04 102.60 17.04 80.53 -2.07 87.47 0.39 12.15 21.76 18.93 47.34 7.40 4.12 0.00 0.16 0.30 44 V C C 83.56 6.56 9.12 17.21 110.10 93.18 -92.72 112.09 86.96 0.75 12.29 46.90 25.35 14.76 8.22 3.89 0.00 0.27 0.61 45 D C C 106.90 2.46 13.35 16.68 104.97 -101.41 -80.33 81.72 84.25 0.80 14.95 52.40 15.87 15.78 10.35 4.73 0.00 0.34 0.53 46 F C C 114.19 7.62 10.72 19.55 99.85 93.12 -78.17 1.79 61.85 1.01 37.14 35.84 12.10 14.07 29.68 7.32 0.01 0.42 0.56 47 N C H 101.27 3.52 15.97 20.15 97.73 83.58 -69.29 -13.11 51.32 1.21 47.47 32.11 7.49 12.12 41.12 6.02 0.01 0.59 0.54 48 W H H 84.41 11.60 13.54 25.87 96.24 70.01 -75.13 -26.30 32.03 0.87 67.10 22.01 4.21 6.81 62.00 4.18 0.01 0.44 0.34 49 Q H H 70.99 11.92 15.63 27.77 93.68 70.59 -63.86 -40.96 8.50 0.11 91.39 5.69 1.09 1.91 90.08 1.14 0.00 0.05 0.03 50 A H H 55.56 4.69 19.20 24.40 92.88 51.87 -64.78 -40.63 2.06 0.01 97.93 0.82 0.26 0.87 97.42 0.62 0.00 0.01 0.00 51 Q H H 96.75 3.93 21.55 25.29 92.22 49.76 -65.94 -40.40 0.92 0.00 99.07 0.29 0.10 0.45 98.75 0.41 0.00 0.00 0.00 52 A H H 14.64 15.30 16.48 32.67 92.03 50.62 -64.21 -42.37 0.51 0.00 99.49 0.14 0.04 0.25 99.34 0.22 0.00 0.00 0.00 53 L H H 50.83 12.55 19.39 32.16 91.90 50.52 -63.70 -41.97 0.32 0.00 99.68 0.07 0.02 0.17 99.63 0.10 0.00 0.00 0.00 54 L H H 88.98 3.23 23.38 25.91 91.74 49.99 -64.32 -41.72 0.23 0.00 99.77 0.04 0.01 0.13 99.75 0.06 0.00 0.00 0.00 55 A H H 35.30 7.69 20.64 29.37 91.68 50.89 -64.08 -41.95 0.22 0.00 99.78 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 56 L H H 36.22 16.15 18.69 34.58 92.07 50.25 -64.29 -41.62 0.14 0.00 99.86 0.02 0.00 0.08 99.86 0.03 0.00 0.00 0.00 57 Q H H 79.84 9.07 21.71 30.91 91.95 50.69 -63.40 -41.73 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 E H H 104.10 3.17 24.21 26.54 91.71 49.54 -64.71 -41.47 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 59 A H H 31.04 9.90 20.26 31.17 91.87 50.39 -64.94 -41.48 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 60 A H H 21.70 14.34 18.54 33.43 91.76 51.00 -63.85 -41.67 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 61 E H H 95.53 5.23 22.66 28.09 91.83 50.67 -63.96 -40.87 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 62 A H H 47.20 4.89 21.53 26.73 91.63 51.31 -64.41 -41.60 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 63 F H H 62.56 12.76 19.53 32.42 91.99 50.29 -64.61 -42.07 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 64 L H H 57.39 12.18 19.41 31.75 91.79 50.89 -63.77 -41.72 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.03 0.00 0.00 0.00 65 V H H 73.96 4.13 22.27 26.19 91.64 50.26 -63.71 -42.26 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.03 0.00 0.00 0.00 66 H H H 82.57 7.62 21.44 29.48 92.08 49.91 -65.05 -41.33 0.27 0.00 99.73 0.01 0.01 0.20 99.71 0.07 0.00 0.00 0.00 67 L H H 32.28 16.50 18.71 34.98 91.81 50.41 -64.45 -42.23 0.60 0.00 99.40 0.03 0.01 0.46 99.40 0.09 0.00 0.00 0.00 68 F H H 81.46 10.45 21.26 31.85 91.96 50.26 -64.57 -41.50 0.58 0.00 99.42 0.07 0.03 0.36 99.43 0.11 0.00 0.00 0.00 69 E H H 95.46 4.36 24.37 28.31 91.73 50.42 -64.00 -41.98 0.59 0.00 99.41 0.06 0.03 0.39 99.41 0.11 0.00 0.00 0.00 70 D H H 40.99 11.79 22.03 34.11 92.01 48.56 -65.63 -41.01 0.85 0.00 99.15 0.08 0.04 0.58 99.14 0.15 0.00 0.00 0.00 71 A H H 12.93 17.74 19.03 36.89 91.91 51.63 -63.84 -41.94 0.82 0.00 99.18 0.08 0.04 0.57 99.06 0.24 0.00 0.00 0.00 72 Y H H 101.11 8.08 23.65 31.96 91.67 50.89 -64.08 -41.51 1.22 0.00 98.78 0.12 0.07 0.89 98.63 0.29 0.00 0.00 0.00 73 L H H 69.29 5.59 24.02 29.72 91.60 50.04 -64.19 -42.49 1.20 0.00 98.80 0.13 0.08 0.86 98.61 0.30 0.00 0.00 0.00 74 L H H 24.50 13.34 19.01 33.46 91.89 50.06 -64.41 -42.27 1.30 0.01 98.69 0.20 0.13 0.92 98.32 0.42 0.01 0.01 0.00 75 T H H 21.72 12.24 16.05 29.94 91.85 50.55 -63.86 -42.32 1.42 0.04 98.54 0.31 0.18 0.89 98.08 0.50 0.01 0.02 0.01 76 L H H 96.56 3.72 18.28 22.32 92.05 49.23 -65.05 -42.24 1.47 0.01 98.52 0.19 0.11 1.06 97.77 0.84 0.00 0.01 0.00 77 H H H 120.98 4.02 16.84 21.81 92.19 49.16 -67.77 -34.81 4.68 0.02 95.30 0.23 0.27 4.12 94.65 0.71 0.01 0.01 0.00 78 A C H 44.77 9.37 13.08 23.73 93.87 46.06 -88.07 -6.97 51.17 0.03 48.80 0.68 1.68 48.19 48.31 1.10 0.01 0.01 0.03 79 G C T 61.28 1.29 17.43 18.30 93.86 -119.35 71.08 22.41 99.57 0.01 0.42 3.24 2.93 93.53 0.22 0.07 0.00 0.00 0.00 80 R C C 96.30 8.16 12.54 22.34 127.83 118.02 -121.86 147.04 98.64 1.08 0.28 70.92 26.26 1.38 0.10 0.15 0.00 0.34 0.85 81 V C C 103.44 5.42 14.91 21.96 100.49 -162.14 -97.87 -9.60 98.74 1.14 0.13 59.65 38.09 1.20 0.03 0.10 0.00 0.55 0.39 82 T C C 76.61 3.59 20.88 24.90 128.33 66.08 -121.41 148.32 96.88 3.02 0.09 74.94 21.44 0.71 0.02 0.08 0.00 1.39 1.41 83 L C C 49.46 19.02 11.30 29.39 110.15 -125.41 -86.48 118.31 97.17 2.74 0.09 86.07 10.81 0.21 0.04 0.04 0.00 0.97 1.85 84 F C C 88.60 5.50 18.61 24.93 126.85 168.54 -109.97 158.71 99.69 0.21 0.11 93.83 5.81 0.05 0.10 0.01 0.00 0.05 0.15 85 P H H 91.72 4.51 15.63 21.65 91.25 -106.40 -57.98 -37.04 2.17 0.00 97.82 0.19 0.22 1.52 97.48 0.58 0.00 0.00 0.00 86 K H H 124.56 2.75 19.58 22.36 91.53 54.25 -64.00 -38.79 0.88 0.00 99.12 0.07 0.05 0.63 98.78 0.47 0.00 0.00 0.00 87 D H H 14.60 17.85 15.04 33.38 91.92 50.91 -64.91 -41.35 0.22 0.00 99.78 0.03 0.01 0.12 99.49 0.34 0.00 0.00 0.00 88 V H H 25.96 16.23 17.60 33.98 91.72 50.75 -63.50 -41.99 0.08 0.00 99.92 0.01 0.00 0.04 99.86 0.09 0.00 0.00 0.00 89 Q H H 94.16 3.21 24.29 26.79 91.44 50.62 -63.54 -42.26 0.11 0.00 99.89 0.01 0.00 0.07 99.86 0.05 0.00 0.00 0.00 90 L H H 44.49 8.69 21.79 31.60 91.62 49.90 -63.97 -42.49 0.20 0.00 99.80 0.01 0.01 0.14 99.77 0.08 0.00 0.00 0.00 91 A H H 5.38 20.41 16.30 37.39 91.27 50.98 -62.99 -42.91 0.37 0.00 99.63 0.04 0.02 0.23 99.58 0.13 0.00 0.00 0.00 92 R H H 88.59 10.53 19.35 30.27 91.58 50.87 -63.56 -40.84 0.87 0.00 99.12 0.10 0.06 0.59 98.86 0.38 0.00 0.00 0.00 93 R H H 143.77 2.68 20.67 23.30 92.18 50.23 -65.49 -40.24 1.59 0.00 98.41 0.16 0.10 1.18 97.83 0.73 0.00 0.00 0.00 94 I H H 60.58 11.50 17.11 29.04 93.32 46.57 -69.83 -38.09 4.87 0.02 95.11 0.25 0.33 4.17 94.59 0.63 0.01 0.00 0.00 95 R H H 82.89 11.84 15.32 27.56 96.72 38.60 -91.42 -12.55 31.47 0.12 68.42 1.49 3.42 25.91 67.99 1.02 0.05 0.03 0.09 96 G C T 35.89 5.71 16.60 23.43 100.45 -109.93 78.39 9.58 88.17 0.35 11.48 25.74 10.51 52.23 7.63 3.50 0.00 0.13 0.26 97 L C C 74.23 9.08 12.17 22.43 96.81 119.94 -71.71 -25.16 59.58 0.71 39.71 33.94 8.58 16.47 10.54 29.69 0.00 0.34 0.44 98 E C G 118.05 5.84 12.27 19.31 97.46 59.51 -76.64 -15.00 52.17 0.69 47.14 17.75 9.20 25.22 9.33 37.74 0.01 0.34 0.42 99 E C G 138.22 2.44 12.11 15.76 99.16 60.63 -83.57 9.01 55.01 0.52 44.47 13.73 9.76 30.95 7.13 37.80 0.01 0.25 0.36 100 G C C 52.25 3.49 11.62 16.65 103.89 -76.37 78.60 9.28 80.62 0.37 19.00 49.04 4.65 27.97 3.62 14.28 0.00 0.18 0.26 101 L C C 88.17 9.78 11.26 21.55 106.70 118.78 -82.06 70.39 99.88 0.08 0.04 99.71 0.17 0.06 0.01 0.01 0.00 0.03 0.02