# 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 R C C 132.65 5.77 12.66 19.87 112.44 -140.07 -83.67 139.37 99.88 0.03 0.09 99.73 0.12 0.07 0.06 0.00 0.00 0.01 0.01 1 S C C 61.37 3.65 12.06 17.03 114.49 -114.83 -76.95 160.14 68.18 0.55 31.27 63.35 0.96 3.49 30.69 1.02 0.00 0.17 0.32 2 R H H 153.25 3.58 11.16 16.35 94.49 -106.44 -62.89 -37.06 15.15 0.12 84.73 6.99 2.81 5.68 82.17 2.23 0.01 0.05 0.06 3 K H H 124.14 3.84 13.39 18.50 92.77 53.30 -65.66 -39.41 8.91 0.08 91.01 3.61 1.48 3.95 88.28 2.60 0.01 0.04 0.03 4 E H H 102.71 3.77 14.77 19.39 92.28 50.44 -66.03 -39.54 6.74 0.07 93.19 2.90 1.05 2.88 90.53 2.58 0.01 0.04 0.03 5 S H H 51.54 4.18 15.62 20.92 92.67 50.84 -65.70 -40.47 7.71 0.07 92.22 3.26 1.10 3.36 90.69 1.52 0.01 0.03 0.03 6 Y H H 91.43 7.57 16.63 25.14 92.14 50.42 -65.38 -40.80 4.34 0.03 95.63 1.43 0.53 2.14 95.11 0.78 0.00 0.01 0.01 7 S H H 36.21 9.11 16.36 26.80 91.94 52.04 -64.06 -40.99 3.29 0.02 96.69 0.89 0.30 1.86 96.49 0.45 0.00 0.00 0.00 8 V H H 68.60 4.80 18.95 24.25 91.96 50.58 -64.43 -42.08 1.68 0.00 98.31 0.22 0.12 1.25 98.22 0.19 0.00 0.00 0.00 9 Y H H 107.32 4.81 19.91 24.96 91.88 50.25 -64.20 -42.66 0.43 0.00 99.56 0.06 0.03 0.26 99.58 0.06 0.00 0.00 0.00 10 V H H 39.05 11.71 17.66 30.26 91.88 49.45 -64.32 -42.65 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 11 Y H H 77.05 11.05 17.69 29.39 91.90 50.43 -64.04 -41.43 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 12 K H H 108.06 3.16 20.92 23.55 91.93 50.31 -64.79 -41.49 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 13 V H H 53.70 6.03 18.54 25.74 91.70 49.03 -64.38 -42.28 0.23 0.00 99.77 0.01 0.01 0.17 99.77 0.03 0.00 0.00 0.00 14 L H H 26.61 13.77 13.85 28.83 91.82 50.34 -64.25 -40.54 0.35 0.00 99.65 0.02 0.02 0.26 99.60 0.10 0.00 0.00 0.00 15 K H H 104.84 6.85 15.22 23.25 91.88 52.71 -64.94 -37.22 1.57 0.00 98.43 0.07 0.06 1.38 98.14 0.35 0.00 0.00 0.00 16 Q H H 129.44 1.39 16.93 17.43 93.36 49.54 -69.47 -36.75 4.27 0.00 95.73 0.12 0.17 3.93 95.43 0.34 0.00 0.00 0.00 17 V H H 81.23 5.09 14.38 20.55 98.63 37.46 -85.35 -33.90 8.11 0.02 91.87 0.33 0.99 6.57 91.87 0.20 0.02 0.00 0.02 18 H C C 68.61 9.00 10.04 20.58 111.70 23.73 -132.79 68.44 99.04 0.22 0.74 60.86 36.98 1.09 0.66 0.12 0.00 0.05 0.24 19 P C T 91.79 4.50 10.91 17.80 94.70 169.49 -62.93 -26.98 87.12 0.24 12.64 15.40 6.79 64.70 2.65 10.18 0.00 0.12 0.16 20 D C T 130.15 0.61 14.10 13.16 95.64 53.81 -84.01 2.60 83.74 0.20 16.06 7.04 9.67 66.59 4.22 12.21 0.00 0.10 0.17 21 T C S 61.04 8.37 10.66 20.35 99.87 86.82 -91.61 -2.30 83.47 0.57 15.97 28.99 34.08 20.97 5.95 9.22 0.00 0.20 0.58 22 G C C 43.55 3.73 16.26 20.85 100.76 -122.23 77.85 2.18 83.97 0.95 15.08 41.01 28.35 14.51 12.37 2.76 0.00 0.31 0.69 23 I C H 61.19 11.22 12.95 25.01 99.04 112.43 -80.77 -21.33 50.62 0.90 48.48 36.47 8.06 5.75 47.02 1.90 0.00 0.29 0.51 24 S H H 51.19 8.54 14.73 24.37 94.01 75.60 -64.38 -42.49 15.58 0.16 84.26 10.05 2.22 3.66 82.51 1.42 0.00 0.07 0.07 25 S H H 78.56 1.74 18.22 19.21 92.91 47.39 -66.75 -39.59 3.43 0.03 96.54 1.22 0.52 1.61 95.64 1.00 0.00 0.01 0.01 26 K H H 124.20 2.53 18.53 20.96 92.45 49.01 -66.66 -40.56 1.78 0.02 98.21 0.54 0.21 0.91 97.62 0.70 0.00 0.01 0.00 27 A H H 20.68 13.03 14.06 28.28 92.39 50.57 -64.87 -41.80 1.19 0.01 98.81 0.34 0.12 0.61 98.54 0.40 0.00 0.00 0.00 28 M H H 77.49 8.15 17.11 26.32 91.99 51.36 -63.56 -40.96 0.59 0.00 99.41 0.14 0.05 0.29 99.36 0.16 0.00 0.00 0.00 29 G H H 38.76 2.27 19.61 21.04 91.72 51.07 -63.86 -41.95 0.70 0.00 99.30 0.12 0.04 0.42 99.29 0.14 0.00 0.00 0.00 30 I H H 81.85 4.58 19.07 24.16 92.03 48.97 -65.17 -41.98 0.53 0.00 99.47 0.08 0.03 0.32 99.46 0.11 0.00 0.00 0.00 31 M H H 53.62 12.34 15.99 29.00 91.94 50.21 -64.32 -41.70 0.47 0.00 99.53 0.08 0.03 0.26 99.52 0.10 0.00 0.00 0.00 32 N H H 80.23 5.33 18.45 24.60 91.85 51.01 -63.86 -40.21 0.78 0.00 99.22 0.12 0.04 0.49 99.22 0.14 0.00 0.00 0.00 33 S H H 62.13 2.17 19.70 20.83 91.93 50.58 -65.10 -41.22 1.20 0.00 98.80 0.13 0.06 0.84 98.78 0.19 0.00 0.00 0.00 34 F H H 86.14 6.78 18.16 25.93 92.16 49.43 -65.10 -41.87 1.20 0.00 98.79 0.17 0.08 0.80 98.75 0.20 0.00 0.00 0.00 35 V H H 43.83 11.16 16.13 28.34 91.97 50.16 -64.24 -41.93 0.85 0.00 99.15 0.17 0.07 0.48 99.15 0.12 0.00 0.00 0.00 36 N H H 83.56 3.41 19.11 22.68 91.70 50.74 -64.12 -40.81 0.94 0.00 99.06 0.18 0.06 0.55 99.09 0.12 0.00 0.00 0.00 37 D H H 78.10 2.53 19.67 21.52 92.10 50.12 -65.15 -41.05 0.99 0.00 99.01 0.16 0.06 0.63 99.03 0.13 0.00 0.00 0.00 38 I H H 51.61 9.63 17.14 28.03 92.01 50.00 -64.66 -42.56 0.53 0.00 99.47 0.07 0.03 0.33 99.46 0.10 0.00 0.00 0.00 39 F H H 77.94 10.47 16.82 28.00 91.78 50.53 -63.70 -41.40 0.32 0.00 99.68 0.05 0.02 0.19 99.65 0.10 0.00 0.00 0.00 40 E H H 117.63 2.25 20.04 21.75 91.85 50.30 -64.69 -40.96 0.45 0.00 99.55 0.05 0.02 0.29 99.48 0.15 0.00 0.00 0.00 41 R H H 127.64 3.35 19.87 23.18 92.03 49.15 -65.48 -41.30 1.07 0.00 98.92 0.11 0.06 0.77 98.83 0.23 0.00 0.00 0.00 42 I H H 40.25 13.20 16.52 30.41 92.37 47.61 -65.97 -41.49 2.40 0.01 97.59 0.34 0.21 1.61 97.53 0.30 0.00 0.01 0.00 43 A H H 44.72 7.59 17.92 26.66 91.76 51.32 -63.45 -41.00 5.01 0.03 94.96 0.89 0.47 3.23 94.83 0.56 0.01 0.01 0.01 44 G H H 37.97 2.37 20.84 22.23 92.16 50.39 -64.19 -42.34 10.91 0.05 89.04 1.75 1.07 7.59 88.52 1.01 0.01 0.02 0.02 45 E H H 83.62 6.27 20.07 26.93 92.34 48.86 -66.28 -40.64 6.74 0.04 93.21 1.81 0.92 3.81 92.07 1.34 0.01 0.02 0.02 46 A H H 23.37 14.02 15.30 30.10 92.06 52.35 -63.78 -40.73 4.25 0.04 95.71 1.38 0.51 2.16 93.73 2.19 0.00 0.02 0.01 47 S H H 58.24 4.25 19.60 24.23 91.86 51.82 -64.38 -39.96 5.08 0.06 94.87 1.30 0.54 3.05 91.59 3.46 0.01 0.03 0.02 48 R H H 135.32 2.21 20.35 21.67 92.30 50.24 -65.73 -39.98 6.48 0.10 93.42 1.35 0.76 4.30 89.47 4.01 0.02 0.06 0.03 49 L H H 47.82 9.26 15.37 26.27 92.61 49.88 -66.89 -38.57 8.49 0.22 91.29 2.17 1.15 5.19 86.32 4.95 0.03 0.14 0.06 50 A H H 37.32 9.25 13.03 23.86 92.97 55.25 -65.99 -35.31 19.41 0.48 80.11 4.52 2.17 12.60 74.12 6.05 0.06 0.30 0.17 51 H H H 131.48 2.13 15.21 17.50 94.96 53.23 -72.63 -26.32 32.89 0.73 66.39 6.54 3.77 22.68 60.04 6.14 0.10 0.41 0.31 52 Y H H 148.82 2.89 12.91 16.75 98.72 51.56 -80.14 -25.50 45.69 1.32 52.99 11.33 10.02 25.92 46.14 5.09 0.19 0.61 0.70 53 N C T 86.76 5.75 10.49 17.73 106.88 43.68 -99.30 66.30 68.15 1.13 30.72 21.13 13.69 33.39 26.42 4.23 0.03 0.47 0.64 54 K C T 161.93 1.90 11.95 15.11 97.85 -134.38 -38.43 9.20 79.43 0.78 19.79 20.94 19.20 39.81 12.83 6.35 0.01 0.32 0.54 55 R C C 152.16 3.41 11.59 16.51 109.08 91.69 -95.41 102.97 81.67 1.36 16.97 31.56 21.35 29.51 8.12 8.00 0.01 0.60 0.85 56 S C C 71.32 5.74 11.79 19.02 106.24 -153.21 -87.64 59.46 86.22 3.02 10.76 41.92 26.53 18.48 3.51 6.72 0.00 1.71 1.13 57 T C C 88.75 4.65 15.59 21.51 117.22 104.41 -104.87 134.72 81.96 11.55 6.49 54.99 17.19 9.99 2.73 3.88 0.01 8.46 2.75 58 I C C 35.68 17.69 10.12 27.29 119.40 -148.43 -105.72 132.07 84.40 14.58 1.01 72.96 10.60 0.56 0.86 0.33 0.00 9.04 5.65 59 T C C 64.43 3.54 21.12 24.19 123.12 -137.70 -87.11 162.99 93.02 6.25 0.73 92.46 1.07 0.21 0.61 0.10 0.00 4.23 1.32 60 S H H 56.40 11.77 13.28 25.52 91.54 -105.51 -59.07 -38.91 2.24 0.01 97.76 0.55 0.36 1.10 97.62 0.36 0.00 0.00 0.00 61 R H H 155.98 1.98 18.92 20.76 91.73 53.87 -63.92 -39.91 0.73 0.00 99.27 0.10 0.06 0.46 99.10 0.28 0.00 0.00 0.00 62 E H H 79.24 8.34 18.81 27.85 91.79 49.34 -65.90 -40.71 0.27 0.00 99.73 0.05 0.02 0.15 99.50 0.28 0.00 0.00 0.00 63 I H H 14.02 20.93 15.58 36.44 91.86 50.13 -64.01 -43.09 0.12 0.00 99.88 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 64 Q H H 68.04 11.64 20.56 32.20 91.30 50.83 -62.62 -41.67 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.05 0.00 0.00 0.00 65 T H H 62.70 3.83 23.73 27.21 91.71 49.64 -64.54 -41.89 0.33 0.00 99.67 0.02 0.01 0.24 99.63 0.09 0.00 0.00 0.00 66 A H H 16.18 14.36 19.88 35.02 91.78 50.82 -63.98 -42.01 0.53 0.00 99.47 0.04 0.02 0.39 99.27 0.27 0.00 0.00 0.00 67 V H H 12.64 21.24 18.01 38.92 91.75 50.11 -64.13 -41.42 0.79 0.00 99.21 0.06 0.04 0.61 98.29 0.99 0.00 0.00 0.00 68 R H H 115.11 9.14 20.74 30.16 91.22 53.66 -64.19 -35.22 2.59 0.01 97.40 0.15 0.12 2.25 95.33 2.15 0.00 0.00 0.00 69 L H H 89.68 6.18 21.33 27.75 92.18 53.18 -69.77 -31.36 10.61 0.01 89.37 0.28 0.39 10.14 87.48 1.69 0.01 0.00 0.01 70 L H H 46.40 15.26 17.66 32.60 96.16 44.08 -86.03 -25.74 21.68 0.07 78.25 0.98 2.23 18.45 77.17 1.07 0.05 0.02 0.05 71 L C S 32.62 17.88 12.80 30.26 112.64 57.23 -110.11 103.67 97.46 0.37 2.17 22.34 72.91 1.97 2.16 0.22 0.00 0.09 0.31 72 P C C 80.24 5.05 16.44 22.67 112.38 -140.35 -67.81 142.38 84.95 0.46 14.59 53.15 10.96 20.51 10.64 4.21 0.00 0.20 0.34 73 G C H 44.37 3.43 16.91 20.88 115.46 18.84 78.88 -148.32 50.68 0.62 48.69 13.02 15.30 23.39 36.99 10.52 0.08 0.24 0.44 74 E H H 125.68 3.36 17.17 21.03 94.38 -13.99 -66.98 -35.50 22.82 0.42 76.76 6.96 4.45 11.31 61.88 14.91 0.07 0.23 0.18 75 L H H 53.24 11.50 14.55 26.98 92.29 55.27 -65.34 -37.92 14.62 0.57 84.80 5.77 2.41 6.43 68.92 15.89 0.03 0.40 0.15 76 A H H 24.27 14.26 13.50 28.42 92.30 54.82 -64.96 -37.29 11.88 0.60 87.52 5.73 1.87 4.44 71.65 15.71 0.02 0.45 0.13 77 K H H 129.00 3.37 19.62 23.49 92.65 53.08 -67.18 -34.44 17.19 0.96 81.85 6.00 2.81 8.47 67.45 14.22 0.07 0.73 0.24 78 H H H 94.56 6.13 18.09 24.96 97.06 50.97 -80.23 -25.64 24.26 1.84 73.90 9.01 4.31 11.73 61.39 11.58 0.14 1.35 0.49 79 A H H 28.54 14.79 13.74 28.68 98.69 74.74 -70.06 -37.09 29.85 5.16 64.99 17.47 6.06 8.64 56.20 6.70 0.12 3.63 1.19 80 V H H 72.56 9.53 16.14 26.07 97.91 53.35 -74.63 -29.88 33.48 7.89 58.63 19.78 6.20 9.48 50.37 6.42 0.16 5.99 1.60 81 S H H 67.35 4.17 16.33 21.21 99.93 59.73 -78.45 -29.11 42.80 5.87 51.34 21.44 8.64 14.35 43.13 6.70 0.21 4.02 1.53 82 E C T 119.64 4.97 15.46 21.45 98.90 44.15 -77.34 -6.95 63.71 1.17 35.12 11.06 11.16 40.23 29.66 6.63 0.08 0.59 0.59 83 G C T 37.45 8.78 14.58 23.96 101.11 0.94 42.60 -28.32 74.97 0.83 24.20 17.25 14.20 43.21 18.97 5.53 0.02 0.39 0.42 84 T C C 63.56 9.92 14.24 24.85 99.36 64.29 -75.92 -23.78 60.80 3.83 35.37 40.72 11.06 8.94 29.91 5.92 0.02 2.30 1.13 85 K C H 120.75 4.96 17.80 23.66 96.99 65.36 -70.34 -29.02 46.95 8.48 44.57 31.58 8.58 7.90 36.70 7.08 0.06 6.48 1.60 86 A H H 44.64 10.12 15.40 26.36 96.84 59.94 -70.58 -32.35 37.39 11.93 50.68 26.49 6.00 6.23 41.36 8.00 0.06 10.32 1.54 87 V H H 54.27 12.75 13.93 26.93 99.50 52.95 -78.65 -26.42 30.73 14.39 54.88 22.00 4.99 5.22 44.89 8.20 0.07 13.10 1.54 88 T H H 74.54 5.97 16.18 23.15 100.44 56.70 -76.05 -27.51 32.68 13.14 54.17 22.64 5.09 6.19 44.63 7.86 0.07 12.06 1.46 89 C H H 73.83 5.72 14.60 21.44 97.93 56.02 -80.47 -13.90 39.48 9.98 50.55 24.58 6.95 9.34 41.86 7.23 0.10 8.50 1.44 90 Y C H 115.15 8.79 11.35 21.01 101.86 61.13 -86.34 -7.07 47.35 7.08 45.57 27.47 9.27 12.08 39.08 5.42 0.10 5.12 1.45 91 T C C 87.73 5.05 10.94 17.54 106.65 73.20 -92.76 28.23 59.09 5.52 35.39 33.92 10.47 14.48 32.35 3.79 0.05 3.53 1.40 92 S C C 83.30 2.69 10.02 14.30 108.51 109.39 -89.57 94.97 78.71 2.36 18.93 60.01 2.79 14.96 17.81 2.10 0.00 1.40 0.93 93 A C C 80.93 3.74 11.17 16.54 107.32 -145.01 -85.90 56.71 99.91 0.05 0.04 99.78 0.09 0.08 0.02 0.00 0.00 0.02 0.01