# 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 124.09 3.82 10.56 16.09 114.55 -137.76 -86.99 137.80 99.84 0.12 0.04 99.69 0.15 0.07 0.02 0.00 0.00 0.06 0.02 1 A C C 84.20 2.51 8.90 13.00 110.24 -121.61 -78.87 138.24 92.32 1.57 6.11 82.91 1.67 8.61 3.29 1.85 0.00 0.88 0.80 2 G C C 53.79 2.39 8.90 12.61 111.62 -97.86 -88.84 153.35 86.13 2.57 11.30 54.22 16.09 16.40 5.88 4.74 0.01 1.17 1.50 3 T C C 103.12 2.28 9.01 12.64 100.63 -92.14 -78.34 -11.86 70.40 2.45 27.15 37.96 17.30 15.85 17.38 9.04 0.03 1.09 1.35 4 S C C 76.65 2.73 9.40 13.50 102.09 70.21 -80.13 -5.77 59.21 1.70 39.09 30.02 13.57 16.62 26.07 11.99 0.05 0.79 0.90 5 G C H 45.30 2.95 10.21 14.45 100.77 63.51 -66.18 -37.77 50.55 1.85 47.60 27.98 10.03 13.44 31.51 15.22 0.05 0.93 0.85 6 L H H 114.27 2.04 10.03 13.06 97.11 53.67 -73.58 -28.65 35.62 2.85 61.53 19.07 7.32 10.23 39.46 21.23 0.08 1.75 0.85 7 L H H 108.66 2.93 9.31 13.70 97.65 59.95 -76.05 -22.96 29.73 3.24 67.03 15.61 5.71 8.93 40.67 26.05 0.08 2.15 0.80 8 N H H 115.67 2.04 9.81 13.11 97.51 65.84 -75.27 -15.30 38.80 3.32 57.88 17.91 7.40 13.78 33.81 23.82 0.14 2.06 1.06 9 A C H 86.74 1.57 9.25 11.78 98.04 64.19 -80.09 -11.24 53.62 3.57 42.81 20.87 11.95 21.99 23.27 18.26 0.20 1.85 1.62 10 V C C 109.52 2.28 8.13 12.02 104.77 67.84 -89.51 32.83 80.73 4.37 14.90 41.74 31.84 7.64 10.51 3.89 0.04 1.66 2.68 11 K C C 148.41 2.02 8.99 12.65 114.56 78.35 -94.10 126.93 96.93 1.77 1.30 80.18 15.52 1.38 0.76 0.46 0.00 0.90 0.81 12 P C C 98.45 3.15 8.50 13.62 112.76 -110.47 -70.50 144.78 95.46 1.74 2.80 84.96 7.03 3.67 1.33 1.19 0.00 0.93 0.89 13 K C C 156.19 1.83 9.09 12.42 114.87 -134.83 -92.27 132.38 95.08 2.21 2.71 83.20 8.85 3.00 1.51 1.08 0.00 1.14 1.22 14 I C C 122.85 2.91 7.52 12.39 113.86 -141.03 -90.32 132.12 91.47 2.66 5.87 79.72 8.33 3.43 4.10 1.72 0.00 1.43 1.27 15 Q C C 129.40 2.29 8.91 12.85 114.19 -147.65 -91.11 136.63 86.83 2.13 11.04 74.91 7.68 3.97 9.30 2.12 0.00 1.09 0.93 16 T C C 101.77 2.23 9.35 13.01 108.43 -139.20 -84.42 119.84 72.70 2.58 24.72 57.02 7.89 6.64 22.76 3.37 0.00 1.37 0.94 17 I C H 114.62 3.03 9.30 13.91 106.20 105.48 -86.37 15.36 55.75 1.76 42.48 38.77 10.38 6.35 40.64 2.43 0.01 0.80 0.62 18 D H H 94.52 2.68 10.63 14.55 103.32 66.19 -78.47 -8.51 42.93 1.02 56.06 32.84 6.29 3.95 54.63 1.54 0.00 0.44 0.32 19 I H H 117.81 2.07 11.20 14.15 94.86 53.25 -66.74 -37.48 7.30 0.16 92.55 4.55 1.04 1.89 91.56 0.85 0.00 0.07 0.04 20 Q H H 117.11 1.84 13.28 15.43 92.88 52.13 -65.89 -39.66 2.64 0.06 97.30 1.37 0.39 1.02 96.52 0.65 0.00 0.04 0.01 21 A H H 55.38 2.84 13.16 17.08 92.60 50.05 -65.46 -41.14 1.69 0.04 98.27 0.80 0.23 0.72 97.65 0.58 0.00 0.02 0.01 22 A H H 56.62 2.92 13.95 17.82 92.32 50.92 -64.84 -41.01 1.48 0.03 98.49 0.58 0.18 0.71 97.98 0.53 0.00 0.01 0.01 23 A H H 60.70 2.31 14.89 17.46 92.18 50.56 -64.61 -40.97 2.37 0.02 97.61 0.61 0.24 1.38 97.14 0.61 0.00 0.01 0.01 24 G H H 40.15 2.27 15.27 17.68 92.30 50.42 -64.88 -41.06 5.40 0.03 94.57 0.94 0.48 3.72 94.26 0.56 0.00 0.01 0.01 25 W H H 151.32 2.19 15.37 17.63 92.50 49.60 -66.18 -40.14 3.62 0.02 96.36 1.11 0.43 1.92 96.24 0.28 0.00 0.01 0.01 26 G H H 38.67 2.71 15.32 18.45 92.69 51.25 -64.49 -41.94 1.51 0.01 98.48 0.44 0.17 0.80 98.44 0.15 0.00 0.00 0.00 27 I H H 102.98 1.97 16.02 17.61 92.42 48.27 -65.74 -41.55 0.47 0.00 99.53 0.11 0.04 0.25 99.53 0.07 0.00 0.00 0.00 28 A H H 62.76 2.14 15.63 17.70 92.15 49.77 -64.53 -41.79 0.25 0.00 99.75 0.05 0.02 0.13 99.76 0.04 0.00 0.00 0.00 29 A H H 62.24 2.15 15.79 17.89 92.10 50.02 -64.70 -41.38 0.27 0.00 99.73 0.04 0.02 0.16 99.75 0.04 0.00 0.00 0.00 30 A H H 61.09 2.29 15.60 17.95 92.16 49.79 -64.73 -41.18 0.36 0.00 99.63 0.05 0.02 0.23 99.65 0.05 0.00 0.00 0.00 31 A H H 58.52 2.39 15.21 17.80 91.97 50.10 -64.07 -41.40 0.51 0.00 99.49 0.06 0.03 0.33 99.48 0.09 0.00 0.00 0.00 32 G H H 37.74 2.21 14.73 17.19 91.75 50.99 -64.25 -40.94 1.02 0.00 98.98 0.11 0.06 0.72 98.89 0.21 0.00 0.00 0.00 33 A H H 60.95 2.06 13.83 16.21 92.01 50.72 -64.76 -39.97 1.42 0.01 98.58 0.17 0.09 1.04 98.13 0.56 0.00 0.00 0.00 34 I H H 104.53 2.06 12.64 15.25 92.49 50.60 -66.24 -39.11 1.81 0.03 98.16 0.20 0.13 1.44 96.64 1.57 0.00 0.02 0.00 35 W H H 173.44 1.66 12.04 14.12 93.10 51.67 -68.93 -34.68 6.55 0.06 93.39 0.51 0.39 5.72 90.38 2.92 0.02 0.04 0.02 36 V H H 115.78 1.03 12.04 12.65 95.05 48.86 -73.87 -30.03 18.53 0.12 81.35 1.08 1.10 16.25 79.15 2.24 0.06 0.06 0.06 37 V H H 106.74 1.73 10.85 13.14 101.23 48.40 -90.12 -7.85 38.64 1.47 59.89 9.98 11.34 19.38 55.74 1.98 0.22 0.53 0.83 38 Q C C 105.37 4.00 9.40 15.25 112.37 110.89 -83.94 132.07 73.81 1.71 24.48 41.26 18.78 13.72 19.25 5.35 0.02 0.77 0.85 39 P C C 90.69 2.74 10.96 14.95 106.85 -110.52 -70.55 120.79 72.27 1.24 26.50 44.86 8.96 18.03 19.17 7.70 0.00 0.61 0.67 40 F C H 132.14 3.61 10.10 15.16 104.27 61.83 -79.81 4.78 49.94 2.03 48.03 23.98 9.08 17.49 33.27 14.02 0.07 1.01 1.08 41 G H H 42.93 3.10 11.22 15.54 99.59 64.51 -64.13 -29.78 43.55 1.65 54.80 17.87 7.74 18.45 40.64 13.60 0.08 0.95 0.67 42 W H H 158.88 2.26 11.00 14.19 96.24 60.17 -69.10 -34.33 28.06 2.41 69.53 10.59 5.41 12.78 52.62 16.04 0.19 1.68 0.69 43 I H H 99.63 2.82 10.58 14.66 94.69 56.80 -69.32 -34.73 22.82 4.43 72.76 11.70 4.69 8.30 57.39 13.27 0.20 3.41 1.03 44 K H H 122.06 2.85 10.89 14.96 93.78 55.05 -69.04 -31.28 22.61 3.30 74.09 12.49 4.05 7.51 60.02 12.50 0.09 2.62 0.72 45 K H H 132.88 2.28 10.84 14.14 94.62 55.79 -69.48 -31.84 21.43 1.75 76.82 8.36 4.18 10.03 61.48 14.00 0.21 1.28 0.48 46 T H H 91.07 2.09 10.69 13.67 95.86 51.59 -74.57 -29.02 26.65 1.90 71.46 7.88 4.87 14.75 58.08 12.12 0.38 1.25 0.66 47 F H H 147.27 1.95 9.84 12.76 97.75 44.01 -83.82 -22.13 41.65 2.87 55.48 9.97 9.01 24.38 44.55 8.64 0.61 1.59 1.25 48 I C H 119.75 2.37 9.20 12.70 104.46 42.97 -100.99 1.36 58.36 7.61 34.03 22.42 19.05 19.90 26.57 4.58 0.52 3.12 3.84 49 D C C 102.30 2.46 9.01 13.19 115.01 114.58 -91.65 132.58 96.24 2.79 0.98 63.12 31.76 1.63 0.60 0.33 0.00 1.26 1.29 50 P C C 97.62 2.92 8.87 13.63 115.05 -111.59 -71.07 146.68 99.30 0.54 0.17 88.92 10.06 0.36 0.08 0.07 0.00 0.23 0.28 51 P C C 90.40 3.36 8.35 13.68 114.04 -104.86 -65.28 150.47 98.54 0.29 1.17 91.14 6.01 1.50 0.52 0.47 0.00 0.12 0.23 52 P C C 110.60 1.67 8.38 11.41 109.08 -103.49 -72.74 142.66 92.95 0.55 6.50 84.12 5.78 3.60 2.40 3.47 0.00 0.25 0.38 53 T C C 107.83 1.73 6.88 10.18 108.59 -113.85 -87.36 121.80 73.92 1.39 24.69 49.46 10.32 13.14 5.52 20.17 0.00 0.73 0.66 54 E C C 150.79 1.45 6.53 9.44 109.38 -140.18 -86.19 119.21 71.77 1.70 26.53 41.59 12.46 17.39 5.55 21.35 0.00 0.89 0.78 55 E C C 150.22 1.52 6.82 9.88 111.07 -138.99 -89.15 123.13 78.39 1.38 20.23 64.95 3.44 10.81 4.94 14.44 0.00 0.81 0.61 56 K C C 157.33 1.94 9.24 12.68 109.24 -141.76 -88.89 111.74 99.69 0.08 0.23 99.07 0.34 0.39 0.11 0.04 0.00 0.03 0.02