# 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 91.16 8.90 11.72 21.61 117.31 -158.36 -91.68 143.01 99.95 0.03 0.03 99.87 0.07 0.03 0.02 0.00 0.00 0.01 0.00 1 S C C 64.83 3.39 13.62 18.00 113.88 -113.89 -77.57 157.94 86.86 0.53 12.61 84.02 0.70 1.87 12.54 0.41 0.00 0.15 0.31 2 K H H 124.92 6.34 12.56 20.20 94.48 -110.19 -63.04 -36.30 15.03 0.13 84.84 6.58 3.04 5.74 83.04 1.48 0.01 0.05 0.07 3 M H H 82.77 9.11 13.81 23.82 92.76 53.20 -65.78 -39.47 7.93 0.06 92.01 2.70 1.33 3.96 90.27 1.67 0.01 0.03 0.03 4 S H H 54.46 3.75 17.54 21.88 92.08 51.53 -65.10 -40.51 5.53 0.06 94.41 2.41 0.88 2.43 92.52 1.69 0.00 0.03 0.03 5 D H H 63.57 6.89 18.53 26.21 92.06 50.50 -64.87 -40.43 3.83 0.05 96.12 1.86 0.62 1.51 95.21 0.75 0.00 0.02 0.02 6 V H H 27.86 16.10 16.62 33.19 91.95 49.89 -64.08 -42.33 1.50 0.01 98.49 0.56 0.19 0.69 98.27 0.28 0.00 0.00 0.00 7 K H H 94.59 9.09 21.57 30.92 91.58 51.15 -63.03 -41.80 1.20 0.01 98.79 0.39 0.12 0.62 98.63 0.22 0.00 0.01 0.00 8 C H H 63.39 4.10 23.77 27.45 91.66 49.66 -64.05 -42.22 1.31 0.01 98.69 0.36 0.12 0.71 98.63 0.17 0.00 0.00 0.00 9 T H H 33.61 12.23 22.06 34.55 91.76 49.95 -64.84 -41.73 0.67 0.00 99.33 0.20 0.07 0.32 99.34 0.06 0.00 0.00 0.00 10 S H H 15.26 18.91 19.41 38.37 91.84 51.37 -63.87 -41.85 0.32 0.00 99.68 0.07 0.02 0.17 99.71 0.03 0.00 0.00 0.00 11 V H H 69.01 6.73 24.19 31.30 91.63 50.17 -63.89 -42.50 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 12 V H H 66.74 5.85 24.89 30.81 91.48 49.60 -63.58 -43.15 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 13 L H H 22.97 18.89 20.90 39.58 91.45 49.12 -63.99 -42.85 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 14 L H H 33.53 16.07 20.25 36.17 91.34 50.14 -63.22 -41.42 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 15 S H H 55.17 3.59 24.14 27.34 91.42 51.14 -64.23 -41.62 0.52 0.00 99.48 0.03 0.02 0.38 99.52 0.05 0.00 0.00 0.00 16 V H H 39.63 9.94 20.59 31.53 91.90 49.86 -64.43 -42.58 0.59 0.00 99.41 0.05 0.03 0.43 99.31 0.17 0.00 0.00 0.00 17 L H H 13.64 19.88 14.82 35.28 91.69 50.11 -64.13 -41.30 0.81 0.00 99.19 0.09 0.06 0.56 98.80 0.49 0.00 0.00 0.00 18 Q H H 95.11 6.49 18.18 25.59 91.70 51.78 -64.07 -40.38 2.62 0.00 97.37 0.19 0.13 2.16 96.53 0.98 0.00 0.00 0.00 19 Q H H 124.29 2.15 18.33 20.30 91.07 53.05 -65.61 -31.73 9.14 0.01 90.85 0.25 0.34 8.79 89.69 0.91 0.01 0.00 0.00 20 L C T 58.68 11.15 13.18 25.49 94.09 51.32 -86.15 -3.23 74.15 0.07 25.79 0.99 2.72 69.41 25.39 1.40 0.01 0.02 0.07 21 R C T 174.26 2.10 18.88 21.14 94.96 -117.75 60.12 37.15 93.29 0.10 6.61 6.23 2.34 84.56 5.96 0.80 0.00 0.04 0.05 22 V C C 33.10 16.51 10.10 26.43 103.13 144.05 -91.13 29.71 84.99 2.01 13.00 76.51 4.30 4.80 8.41 3.81 0.00 0.99 1.18 23 E C C 119.94 5.20 15.37 21.93 99.09 110.28 -74.24 -23.87 78.17 1.76 20.06 53.49 10.26 14.39 10.19 9.77 0.01 0.90 0.99 24 S C T 83.07 2.63 15.54 18.77 98.40 57.03 -82.22 -5.57 76.65 1.69 21.66 26.37 24.43 26.84 9.36 11.22 0.02 0.75 1.00 25 S C C 47.83 10.34 11.09 22.21 104.65 79.82 -95.44 42.19 81.96 1.17 16.87 42.42 22.23 17.73 8.28 8.10 0.00 0.48 0.76 26 S C H 70.60 4.14 14.68 20.09 97.06 123.05 -68.82 -37.72 49.93 0.57 49.51 22.46 22.64 4.68 48.38 1.36 0.01 0.14 0.33 27 K H H 144.05 1.68 18.10 19.23 93.16 53.12 -65.50 -39.14 5.17 0.02 94.80 1.29 0.99 2.74 94.17 0.79 0.01 0.01 0.01 28 L H H 33.30 15.24 14.89 30.45 92.55 49.54 -65.55 -41.62 2.20 0.01 97.78 0.59 0.27 1.21 97.28 0.64 0.00 0.01 0.00 29 W H H 74.02 13.82 16.25 30.31 91.95 51.55 -63.31 -41.79 0.65 0.00 99.35 0.19 0.07 0.31 99.06 0.37 0.00 0.00 0.00 30 A H H 57.76 2.46 22.63 23.89 91.54 50.55 -63.53 -41.43 0.27 0.00 99.72 0.06 0.02 0.14 99.68 0.10 0.00 0.00 0.00 31 Q H H 71.07 8.36 21.54 30.35 91.96 49.82 -64.99 -41.20 0.24 0.00 99.76 0.04 0.01 0.14 99.75 0.06 0.00 0.00 0.00 32 C H H 7.21 22.40 16.05 38.71 91.60 50.46 -64.17 -42.83 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 33 V H H 62.49 7.89 22.45 30.70 91.50 50.33 -63.55 -42.35 0.13 0.00 99.86 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 34 Q H H 105.24 2.23 25.43 26.29 91.54 50.02 -63.99 -42.02 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 35 L H H 17.90 17.03 19.31 36.75 91.72 49.40 -64.36 -42.55 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 36 H H H 38.64 18.61 19.19 37.07 91.30 51.64 -62.07 -42.68 0.18 0.00 99.82 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 37 N H H 86.35 3.15 24.14 26.58 91.51 50.09 -64.13 -40.65 0.41 0.00 99.59 0.02 0.02 0.32 99.54 0.09 0.00 0.00 0.00 38 D H H 62.47 6.79 22.12 29.37 91.90 49.39 -65.80 -39.80 0.81 0.00 99.19 0.05 0.04 0.66 98.78 0.46 0.00 0.00 0.00 39 I H H 10.59 22.74 14.58 37.40 91.63 50.75 -64.42 -41.51 1.31 0.00 98.69 0.05 0.06 1.18 96.81 1.90 0.00 0.00 0.00 40 L H H 76.38 10.76 18.95 30.03 91.23 52.40 -67.39 -29.40 9.20 0.00 90.80 0.16 0.27 9.31 88.62 1.63 0.01 0.00 0.00 41 L H H 118.49 1.87 20.91 21.74 93.65 51.59 -86.82 -9.60 43.72 0.05 56.24 1.19 1.96 39.85 54.97 1.97 0.01 0.01 0.04 42 A C C 20.18 17.39 7.82 24.66 117.46 109.04 -72.88 142.87 98.05 0.51 1.45 91.27 4.84 1.76 1.30 0.21 0.00 0.14 0.49 43 K C S 169.90 0.98 17.61 17.62 96.74 -159.39 -92.10 -21.12 99.57 0.21 0.22 35.38 63.22 1.02 0.12 0.06 0.00 0.06 0.13 44 D C S 76.83 3.19 19.96 23.07 130.96 32.62 -132.50 150.77 98.99 0.65 0.37 32.65 65.92 0.45 0.27 0.06 0.00 0.12 0.54 45 T H H 47.73 17.00 12.67 29.21 91.88 -122.92 -61.59 -37.05 3.87 0.01 96.12 0.62 0.89 2.19 95.55 0.74 0.00 0.00 0.00 46 T H H 84.78 3.69 20.24 24.29 91.80 55.30 -63.38 -41.53 2.06 0.00 97.94 0.19 0.19 1.53 97.35 0.73 0.00 0.00 0.00 47 E H H 89.11 4.16 21.78 25.93 91.98 48.14 -65.86 -40.16 0.73 0.00 99.26 0.12 0.06 0.47 98.79 0.57 0.00 0.00 0.00 48 A H H 4.85 20.42 14.84 36.16 91.04 51.54 -62.47 -43.68 0.17 0.00 99.83 0.03 0.01 0.09 99.79 0.08 0.00 0.00 0.00 49 F H H 52.26 15.76 20.69 35.90 91.69 50.23 -63.25 -42.41 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 50 E H H 109.98 2.78 25.71 27.76 91.48 50.14 -63.75 -41.85 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 51 K H H 66.67 11.45 22.72 34.11 91.92 49.22 -65.44 -40.85 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 52 M H H 10.27 23.76 19.10 42.66 91.47 50.45 -63.62 -42.76 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 53 V H H 50.24 11.43 23.41 34.88 91.56 50.10 -63.24 -42.35 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 S H H 52.73 3.75 25.69 29.14 91.40 50.69 -63.59 -42.03 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 55 L H H 19.25 18.43 20.81 39.15 91.41 49.98 -64.18 -42.78 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 56 L H H 20.76 20.59 20.32 40.17 91.23 50.44 -63.35 -41.88 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 57 S H H 53.40 5.20 23.76 29.07 91.32 51.87 -63.47 -41.62 0.15 0.00 99.85 0.01 0.00 0.10 99.81 0.07 0.00 0.00 0.00 58 V H H 52.25 7.87 21.83 30.42 91.68 49.92 -64.09 -42.70 0.27 0.00 99.73 0.01 0.01 0.20 99.51 0.27 0.00 0.00 0.00 59 L H H 14.95 21.07 16.65 37.62 91.69 49.33 -64.56 -41.03 0.82 0.00 99.18 0.04 0.04 0.69 98.56 0.67 0.00 0.00 0.00 60 L H H 63.98 12.85 17.68 30.61 91.08 53.15 -66.47 -30.93 9.76 0.01 90.23 0.27 0.35 9.23 88.82 1.31 0.01 0.00 0.00 61 S H H 80.04 2.12 19.42 21.12 93.13 56.48 -80.66 -14.16 44.52 0.13 55.35 2.78 2.86 37.71 54.52 1.96 0.03 0.05 0.09 62 M C C 69.58 12.79 11.40 24.55 108.02 86.76 -81.37 103.77 69.93 1.75 28.33 29.08 20.39 20.61 24.80 3.41 0.04 0.63 1.04 63 Q C C 119.65 5.42 13.42 20.42 107.88 -146.58 -82.42 100.76 79.45 2.66 17.89 46.45 10.18 22.51 13.45 4.60 0.01 1.25 1.54 64 G C T 45.38 5.27 12.73 19.51 118.94 118.27 -103.96 -65.20 86.68 1.44 11.88 28.30 23.27 36.02 5.79 5.19 0.01 0.67 0.76 65 A C C 87.64 2.52 13.98 17.33 100.62 -65.63 -84.67 1.42 86.06 3.19 10.76 39.44 23.85 23.48 5.27 4.98 0.01 1.73 1.24 66 V C C 60.54 11.13 10.68 22.59 119.47 100.10 -100.79 138.77 79.96 10.43 9.61 41.01 33.76 6.01 7.29 2.50 0.06 4.69 4.69 67 D C C 85.05 4.34 18.05 23.00 103.59 -124.63 -80.56 91.25 88.99 3.82 7.19 81.13 3.64 4.01 6.23 1.31 0.00 2.26 1.43 68 I H H 40.67 17.77 11.88 29.39 94.81 172.32 -69.64 -30.54 16.40 0.20 83.40 13.03 1.72 2.79 80.48 1.80 0.00 0.09 0.08 69 N H H 88.22 6.42 17.10 24.61 91.99 61.02 -62.71 -40.51 3.66 0.03 96.31 1.08 0.44 2.05 93.82 2.59 0.00 0.01 0.01 70 K H H 118.88 2.11 20.02 21.18 92.24 50.35 -66.01 -40.37 2.16 0.02 97.81 0.56 0.23 1.31 95.12 2.75 0.00 0.02 0.00 71 L H H 39.22 10.61 16.14 28.25 92.12 50.26 -64.60 -42.58 1.59 0.02 98.38 0.46 0.18 0.89 96.28 2.17 0.00 0.01 0.00 72 C H H 24.88 14.37 14.49 29.68 92.23 50.56 -64.08 -41.75 1.49 0.02 98.49 0.45 0.16 0.80 97.25 1.32 0.00 0.01 0.00 73 E H H 101.89 3.96 17.65 22.25 92.04 51.29 -64.28 -40.00 2.42 0.02 97.55 0.44 0.21 1.63 95.64 2.06 0.00 0.01 0.00 74 E H H 112.29 2.78 18.02 20.78 92.83 50.45 -66.88 -38.98 5.41 0.02 94.56 0.57 0.40 4.25 92.60 2.14 0.01 0.01 0.01 75 M H H 67.65 11.10 14.77 26.42 94.49 47.66 -71.79 -36.11 13.35 0.07 86.58 1.64 1.42 10.17 84.71 1.96 0.03 0.03 0.04 76 L H H 62.15 11.78 12.56 24.82 99.02 49.82 -86.08 -14.79 37.68 0.85 61.47 14.19 7.40 17.77 57.18 2.58 0.07 0.34 0.48 77 D C H 92.42 4.02 14.61 19.76 102.31 87.01 -78.62 16.90 56.30 0.78 42.92 27.45 7.66 21.10 39.08 3.95 0.01 0.35 0.39 78 N C H 95.41 5.92 12.40 19.66 101.64 64.38 -82.46 20.20 60.48 0.67 38.85 28.30 10.16 22.74 32.36 5.77 0.01 0.28 0.39 79 R C H 132.08 5.94 12.48 19.90 103.82 108.18 -84.05 24.80 52.22 0.88 46.90 30.03 9.84 13.21 38.10 7.96 0.01 0.39 0.47 80 A C H 59.46 6.55 11.79 19.81 105.25 82.48 -81.46 32.58 49.97 1.17 48.86 31.26 8.43 10.94 38.59 9.65 0.01 0.60 0.51 81 T C H 79.85 5.20 12.56 19.23 106.08 66.33 -90.32 36.02 50.41 1.84 47.75 33.47 7.73 10.00 37.86 9.23 0.01 0.98 0.72 82 L C H 87.75 7.13 10.70 19.28 107.62 78.73 -87.87 88.04 49.59 1.70 48.71 32.94 8.59 9.21 39.62 8.07 0.02 0.87 0.69 83 Q C C 112.63 4.19 12.00 17.78 107.79 63.71 -88.91 94.74 54.76 1.31 43.93 36.96 8.28 10.02 36.89 6.62 0.01 0.66 0.57 84 H C C 118.22 4.72 10.68 17.01 107.67 58.92 -89.92 83.51 58.03 1.03 40.95 37.83 9.01 11.64 33.44 7.09 0.01 0.48 0.52 85 H C C 119.79 4.56 10.39 16.63 107.10 67.36 -88.79 69.26 57.42 0.84 41.74 36.10 9.16 12.62 32.79 8.48 0.01 0.38 0.46 86 H C C 122.51 4.20 10.02 15.87 106.50 65.14 -88.05 58.54 58.34 0.83 40.84 34.87 9.46 14.34 29.85 10.61 0.01 0.38 0.48 87 H C C 121.73 4.14 9.51 15.34 106.53 98.77 -88.83 52.96 60.01 0.92 39.07 35.18 9.72 15.24 26.34 12.54 0.01 0.42 0.55 88 H C C 128.40 3.58 9.08 14.36 105.25 77.42 -85.80 31.71 63.76 0.99 35.26 36.54 10.45 16.96 21.75 13.22 0.01 0.46 0.60 89 H C C 133.88 3.17 8.50 13.36 105.24 88.46 -87.96 30.94 71.23 1.14 27.63 41.71 11.07 18.74 15.95 11.32 0.00 0.55 0.66 90 H C C 135.94 3.07 7.91 12.76 108.68 97.20 -90.94 89.85 84.35 0.77 14.88 68.03 3.23 14.52 8.48 4.87 0.00 0.42 0.45 91 H C C 140.18 3.12 10.42 15.28 108.13 -149.13 -91.73 96.81 99.77 0.04 0.19 99.31 0.20 0.34 0.07 0.04 0.00 0.02 0.01