# 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 115.92 5.49 11.70 18.76 114.40 -160.58 -94.83 132.35 99.84 0.14 0.02 99.64 0.19 0.07 0.01 0.00 0.00 0.06 0.03 1 G C C 47.34 4.23 9.99 15.77 117.01 -159.79 -99.55 163.95 93.06 1.84 5.10 84.03 2.20 7.31 3.05 1.49 0.00 0.93 0.99 2 G C C 51.38 3.26 9.27 14.00 109.03 -120.14 -81.59 -31.44 76.17 2.31 21.51 43.32 16.90 16.63 11.88 8.87 0.02 1.02 1.36 3 D C C 109.46 2.03 9.58 12.78 102.37 53.43 -79.74 -5.04 60.53 1.78 37.69 31.01 14.33 15.85 21.55 15.44 0.03 0.81 0.97 4 D C C 97.75 2.84 9.71 13.93 99.55 76.69 -79.17 -9.22 51.64 1.64 46.71 30.17 9.41 12.26 27.87 18.68 0.02 0.84 0.76 5 F H H 119.91 5.38 8.22 15.10 97.29 74.24 -76.02 -18.11 41.11 1.84 57.05 23.22 7.26 10.84 32.01 24.89 0.04 1.01 0.74 6 E H H 131.96 2.75 10.11 14.39 97.69 70.72 -76.91 -16.39 48.32 1.92 49.76 20.88 9.33 18.32 28.95 20.51 0.09 1.02 0.90 7 K C T 153.35 1.60 10.72 13.08 100.65 61.15 -85.48 -1.94 59.96 1.64 38.39 21.59 14.92 24.71 20.47 16.47 0.09 0.76 1.00 8 K C S 123.77 3.74 9.69 15.38 116.80 94.86 -95.72 135.89 94.73 1.08 4.19 40.13 51.64 3.01 3.36 0.85 0.00 0.39 0.63 9 P C C 97.51 2.78 11.51 15.73 112.29 -105.66 -69.52 144.73 90.61 1.93 7.46 76.87 8.75 4.73 5.85 1.66 0.00 0.77 1.37 10 L C C 88.27 7.68 8.96 17.93 115.14 -113.86 -81.33 141.63 78.95 0.76 20.29 67.07 7.66 3.40 19.36 1.79 0.00 0.28 0.45 11 P C C 72.85 4.68 11.89 18.22 111.18 -105.31 -68.39 150.82 55.82 0.43 43.75 43.18 4.18 7.49 41.49 3.26 0.00 0.19 0.21 12 D H H 99.85 2.60 13.25 16.61 100.10 -108.72 -70.36 -31.77 28.41 0.43 71.16 16.74 4.48 8.47 65.53 4.37 0.01 0.20 0.20 13 C H H 71.37 3.65 12.35 17.26 95.74 59.96 -68.27 -38.33 15.89 0.31 83.80 8.73 2.70 5.47 78.66 4.12 0.01 0.17 0.13 14 L H H 77.86 5.44 12.47 19.34 93.63 52.60 -67.24 -38.42 4.88 0.08 95.04 2.81 0.76 1.63 93.06 1.66 0.00 0.05 0.03 15 K H H 115.89 2.73 14.94 18.24 92.65 52.52 -64.86 -40.44 2.34 0.04 97.62 1.16 0.34 0.97 96.57 0.93 0.00 0.02 0.01 16 E H H 106.84 2.05 15.97 17.63 92.84 50.03 -65.69 -40.48 2.03 0.04 97.93 0.88 0.26 0.93 97.12 0.78 0.00 0.02 0.01 17 L H H 75.75 4.13 14.55 19.95 92.59 50.04 -65.17 -41.49 1.90 0.03 98.07 0.77 0.24 0.90 97.52 0.54 0.00 0.01 0.01 18 H H H 90.20 4.79 14.53 20.59 92.19 50.39 -64.93 -40.65 2.46 0.04 97.50 1.03 0.32 1.11 97.14 0.37 0.00 0.02 0.02 19 E H H 109.23 2.02 16.60 18.23 92.27 50.35 -64.74 -40.79 2.00 0.02 97.98 0.79 0.24 0.87 97.84 0.24 0.00 0.01 0.01 20 K H H 118.28 2.02 16.41 18.01 92.51 49.68 -65.93 -40.62 1.46 0.01 98.53 0.54 0.17 0.68 98.38 0.22 0.00 0.00 0.00 21 Q H H 83.15 4.55 14.69 20.48 92.35 49.90 -65.94 -40.42 1.34 0.01 98.64 0.44 0.15 0.67 98.47 0.24 0.00 0.00 0.00 22 Q H H 97.56 3.40 15.17 19.30 92.33 50.96 -65.34 -40.04 1.40 0.01 98.58 0.40 0.15 0.74 98.42 0.28 0.00 0.00 0.00 23 A H H 58.93 2.09 15.32 17.27 92.29 51.07 -64.69 -40.58 1.96 0.01 98.03 0.54 0.21 1.07 97.70 0.47 0.00 0.01 0.00 24 K H H 117.91 2.28 15.02 17.45 92.60 50.27 -66.65 -39.40 3.50 0.03 96.48 0.79 0.36 2.16 95.76 0.90 0.01 0.01 0.01 25 L H H 84.11 4.44 12.23 18.07 93.23 51.18 -67.43 -38.61 5.70 0.05 94.25 1.31 0.68 3.56 92.96 1.44 0.01 0.02 0.02 26 A H H 68.87 2.49 12.79 16.08 93.77 54.88 -67.38 -34.71 12.95 0.10 86.95 2.98 1.61 8.22 85.01 2.06 0.02 0.04 0.05 27 K H H 148.23 1.45 12.50 13.97 97.25 55.35 -75.73 -23.02 31.89 0.24 67.87 6.23 4.03 21.98 64.85 2.64 0.04 0.09 0.14 28 S C H 62.68 4.60 9.06 15.39 103.64 68.74 -83.43 20.98 51.58 0.53 47.89 22.55 8.78 20.82 43.77 3.54 0.02 0.20 0.32 29 K C H 149.07 2.22 9.74 13.30 102.76 68.05 -79.66 1.25 53.25 1.20 45.56 28.87 10.09 15.04 31.56 13.19 0.02 0.55 0.66 30 E C T 143.23 1.81 9.83 12.82 103.36 87.72 -81.79 4.71 58.52 1.28 40.20 21.75 11.92 25.34 23.05 16.56 0.04 0.61 0.73 31 N C C 119.87 2.10 9.83 13.24 103.77 53.37 -89.85 61.31 68.97 1.60 29.42 32.65 10.64 26.78 14.25 14.00 0.02 0.79 0.89 32 Y C C 145.17 4.37 8.10 14.39 112.33 143.23 -94.99 121.67 86.28 3.75 9.97 63.37 16.51 6.24 6.17 3.63 0.01 1.62 2.46 33 T C C 98.28 2.29 10.63 14.48 118.16 -161.41 -102.84 132.23 96.57 2.62 0.80 74.21 21.51 0.94 0.52 0.27 0.00 1.14 1.41 34 P C C 82.91 4.84 9.23 16.10 115.51 -108.29 -67.30 149.66 98.33 0.49 1.18 89.89 7.31 1.27 0.65 0.38 0.00 0.23 0.27 35 P C C 88.39 4.07 9.40 15.31 111.83 -103.39 -66.58 149.82 90.58 0.78 8.64 79.12 5.01 6.92 2.93 5.18 0.00 0.41 0.43 36 K C C 161.19 1.52 9.67 12.35 107.00 -119.02 -79.96 101.98 82.62 2.81 14.58 55.15 13.78 13.39 4.64 10.06 0.00 1.35 1.62 37 Y C C 166.82 2.61 8.18 12.49 109.12 -123.14 -91.19 100.39 80.73 3.71 15.56 49.26 16.43 15.25 5.38 9.90 0.01 1.88 1.89 38 N C C 117.05 2.39 9.42 13.40 108.91 -164.73 -95.89 93.81 87.67 2.33 10.00 56.50 19.92 11.36 4.82 4.99 0.00 1.15 1.26 39 T C C 78.75 4.54 8.41 14.83 117.37 161.20 -97.00 136.87 92.27 1.73 5.99 62.48 27.09 2.58 5.19 1.09 0.00 0.69 0.88 40 P C C 92.78 2.94 10.07 14.62 107.26 -109.97 -67.12 145.17 79.79 1.16 19.05 62.98 8.18 7.65 16.77 3.30 0.00 0.58 0.54 41 R C C 161.90 2.60 9.35 13.52 105.57 -120.82 -77.78 68.52 59.81 1.55 38.64 43.76 8.05 7.82 34.32 4.62 0.00 0.74 0.69 42 K H H 136.68 2.53 10.90 14.63 102.41 62.24 -79.11 -18.16 45.83 1.55 52.62 31.30 8.21 7.13 47.96 4.08 0.01 0.77 0.53 43 T H H 72.71 3.56 11.21 16.15 105.17 58.83 -81.07 -20.87 44.43 1.55 54.02 33.14 5.78 5.76 51.00 3.04 0.00 0.81 0.46 44 T H H 75.57 4.06 11.47 16.98 96.27 52.38 -66.08 -37.77 22.83 0.60 76.58 17.43 3.28 3.04 74.26 1.53 0.00 0.28 0.20 45 R H H 148.60 1.80 13.47 15.54 93.54 53.07 -66.20 -40.13 4.81 0.08 95.10 2.59 0.76 1.61 94.02 0.95 0.00 0.05 0.02 46 E H H 107.44 2.10 14.47 16.73 92.69 50.52 -66.03 -40.25 3.02 0.05 96.93 1.38 0.42 1.27 96.01 0.87 0.00 0.03 0.01 47 R H H 115.29 3.69 14.00 18.88 92.68 50.73 -65.64 -40.78 2.32 0.04 97.64 1.01 0.31 1.02 96.91 0.72 0.00 0.02 0.01 48 L H H 84.35 3.25 14.56 18.76 92.17 50.48 -64.95 -40.96 1.64 0.02 98.35 0.64 0.20 0.73 98.05 0.37 0.00 0.01 0.00 49 N H H 90.11 1.89 16.30 17.73 92.19 50.26 -64.85 -40.52 1.92 0.01 98.06 0.69 0.21 0.91 97.92 0.27 0.00 0.01 0.00 50 R H H 125.35 2.66 16.10 19.06 92.36 50.20 -65.42 -41.08 1.40 0.01 98.59 0.42 0.14 0.71 98.54 0.18 0.00 0.00 0.00 51 R H H 118.57 3.72 15.86 20.45 92.30 50.37 -65.01 -40.96 0.66 0.00 99.34 0.18 0.06 0.32 99.34 0.09 0.00 0.00 0.00 52 A H H 54.72 2.60 16.39 19.27 91.82 50.69 -64.01 -41.02 0.42 0.00 99.58 0.10 0.03 0.21 99.59 0.06 0.00 0.00 0.00 53 Q H H 105.43 1.98 17.34 18.78 92.16 50.09 -65.02 -40.73 0.40 0.00 99.60 0.08 0.03 0.21 99.63 0.05 0.00 0.00 0.00 54 I H H 81.77 3.79 15.95 20.58 92.08 49.63 -64.84 -42.34 0.25 0.00 99.75 0.05 0.02 0.13 99.78 0.03 0.00 0.00 0.00 55 K H H 112.19 2.70 17.34 20.12 91.92 50.08 -63.91 -41.65 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.02 0.00 0.00 0.00 56 A H H 54.18 2.15 17.20 18.99 91.62 50.23 -63.56 -41.75 0.21 0.00 99.79 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 57 A H H 50.26 2.92 16.39 19.90 91.70 50.37 -64.06 -41.68 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 58 L H H 77.87 3.77 15.39 20.21 91.89 50.08 -64.46 -40.95 0.31 0.00 99.69 0.04 0.02 0.18 99.73 0.04 0.00 0.00 0.00 59 Q H H 101.54 1.92 16.57 18.04 91.66 50.44 -64.31 -41.05 0.52 0.00 99.48 0.08 0.03 0.31 99.52 0.06 0.00 0.00 0.00 60 R H H 135.90 1.56 16.19 16.97 92.03 50.04 -64.88 -40.92 0.98 0.00 99.02 0.18 0.08 0.58 99.06 0.10 0.00 0.00 0.00 61 K H H 106.34 2.70 14.75 18.04 92.04 49.99 -65.36 -40.77 1.14 0.01 98.85 0.25 0.11 0.65 98.84 0.16 0.00 0.00 0.00 62 K H H 111.14 2.31 14.26 17.01 91.78 50.56 -64.36 -40.98 1.44 0.01 98.55 0.37 0.15 0.79 98.41 0.27 0.00 0.00 0.00 63 D H H 83.42 1.48 14.00 15.08 91.84 50.69 -64.72 -40.15 2.49 0.01 97.49 0.62 0.26 1.43 97.18 0.50 0.00 0.00 0.00 64 K H H 121.03 1.48 12.70 14.17 92.17 50.74 -65.56 -39.40 4.39 0.02 95.59 0.99 0.46 2.70 94.84 0.99 0.00 0.01 0.01 65 L H H 102.33 2.07 10.29 13.40 92.67 51.44 -66.39 -37.43 8.37 0.05 91.58 1.94 0.96 5.21 90.29 1.54 0.01 0.02 0.02 66 K H H 154.08 0.98 10.14 11.30 93.57 53.40 -69.03 -28.35 22.66 0.13 77.21 4.32 2.30 15.58 76.10 1.56 0.02 0.05 0.08 67 A C H 87.66 1.08 8.70 10.36 96.53 57.78 -77.06 -16.79 50.77 0.24 48.99 19.94 1.52 27.26 49.65 1.40 0.00 0.08 0.16 68 E C C 138.56 2.20 10.10 13.66 103.54 76.45 -79.07 33.68 99.84 0.02 0.13 99.45 0.15 0.27 0.11 0.01 0.00 0.01 0.00