# 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 111.67 4.95 10.50 17.02 110.20 -156.72 -89.50 121.41 99.52 0.23 0.25 99.39 0.15 0.14 0.14 0.02 0.00 0.10 0.06 1 L C C 116.07 2.77 8.74 12.97 102.53 73.69 -77.80 -1.05 59.79 1.73 38.48 50.15 1.84 9.01 30.56 6.70 0.00 0.87 0.87 2 Q H H 129.62 2.13 8.39 11.87 99.47 70.01 -78.13 -8.50 46.00 1.47 52.53 23.45 8.73 14.94 38.87 12.56 0.04 0.79 0.62 3 S H H 74.00 2.61 8.53 12.63 103.69 87.70 -80.36 11.41 36.13 1.51 62.36 20.34 6.40 9.83 45.19 16.80 0.04 0.93 0.49 4 I H H 116.98 2.31 8.93 12.58 97.35 97.33 -78.98 -18.94 29.02 1.75 69.23 15.46 5.82 8.83 52.34 15.81 0.05 1.17 0.50 5 I H H 105.34 3.49 8.78 13.91 103.99 61.12 -84.83 6.03 28.44 2.55 69.00 16.74 5.73 7.98 53.38 13.68 0.07 1.68 0.74 6 K H H 137.98 2.55 9.99 13.96 99.83 73.54 -75.99 -18.48 35.41 1.78 62.81 16.39 6.05 13.78 49.30 12.64 0.09 1.15 0.61 7 N H H 112.73 2.38 9.75 13.37 101.32 53.85 -84.23 10.42 49.15 1.47 49.38 15.90 7.95 25.34 36.63 12.57 0.11 0.87 0.63 8 I C C 113.18 3.13 8.50 13.30 102.13 86.03 -82.21 -10.18 60.51 4.01 35.47 28.83 12.36 20.22 25.69 9.01 0.11 2.27 1.49 9 W C C 180.66 2.54 8.63 12.71 103.50 71.65 -89.43 13.52 74.00 7.99 18.01 44.96 17.14 11.78 12.54 5.77 0.07 4.42 3.30 10 I C C 109.13 3.34 9.06 14.25 115.58 119.13 -96.01 131.33 88.46 6.95 4.59 54.39 31.19 3.47 2.69 1.91 0.01 4.10 2.24 11 P C C 97.83 2.92 10.03 14.65 112.06 -109.20 -69.93 142.48 89.30 5.92 4.78 75.74 8.23 5.29 1.98 2.71 0.00 4.27 1.77 12 M C C 126.88 3.60 8.28 13.88 112.21 -137.85 -91.97 124.71 91.29 4.79 3.92 73.05 13.72 3.73 1.92 2.04 0.00 2.01 3.53 13 K C C 131.70 2.63 9.56 13.89 118.59 -144.63 -97.36 144.36 95.73 1.01 3.27 72.66 21.02 2.03 2.16 0.98 0.00 0.37 0.78 14 P C T 99.98 2.51 9.70 13.50 104.85 -97.77 -66.43 138.81 57.01 0.52 42.48 13.52 7.66 34.88 17.22 26.08 0.01 0.25 0.39 15 Y C T 170.68 1.88 9.86 12.77 98.77 47.28 -77.65 -7.82 52.66 0.74 46.60 10.22 7.22 33.43 21.84 26.35 0.04 0.37 0.53 16 Y H H 130.03 4.17 9.51 15.38 103.41 62.46 -90.58 24.99 46.41 2.32 51.27 25.97 9.78 11.07 27.98 22.98 0.03 1.11 1.08 17 T H H 68.87 4.54 10.44 16.76 100.52 90.52 -71.91 -36.01 39.68 1.66 58.67 24.43 9.81 7.37 52.82 4.14 0.03 0.76 0.64 18 K H H 135.99 1.93 12.96 15.26 94.92 46.14 -66.76 -37.35 15.03 0.47 84.50 5.03 3.46 7.91 80.12 2.96 0.10 0.26 0.17 19 V H H 82.98 2.40 12.94 16.02 93.20 50.83 -65.96 -40.85 10.92 0.32 88.76 2.78 1.89 7.00 85.17 2.73 0.11 0.20 0.11 20 Y H H 112.31 3.79 12.45 17.68 93.04 49.24 -67.28 -39.36 6.58 0.25 93.17 2.54 1.13 3.55 90.20 2.28 0.05 0.18 0.07 21 Q H H 95.59 3.17 13.77 17.90 92.49 52.36 -65.07 -40.33 2.92 0.08 97.01 0.76 0.36 1.90 95.58 1.31 0.02 0.06 0.02 22 E H H 114.04 1.99 14.83 16.78 92.82 49.96 -65.97 -39.85 4.03 0.07 95.90 0.60 0.40 3.28 94.24 1.38 0.03 0.04 0.02 23 I H H 92.67 2.72 14.41 17.64 93.22 48.58 -67.20 -40.98 5.04 0.09 94.87 0.62 0.50 4.18 93.76 0.82 0.04 0.04 0.03 24 W H H 138.88 2.70 14.53 17.81 92.90 49.19 -65.81 -41.84 4.30 0.13 95.56 0.78 0.53 3.17 94.75 0.62 0.04 0.07 0.05 25 I H H 94.43 2.20 15.04 17.37 92.37 48.84 -64.98 -41.66 4.14 0.05 95.80 0.44 0.32 3.43 95.13 0.61 0.02 0.03 0.02 26 G H H 34.99 2.84 14.59 18.28 92.33 50.34 -64.52 -41.62 1.98 0.01 98.01 0.40 0.18 1.25 97.75 0.41 0.00 0.01 0.00 27 M H H 102.81 2.36 15.33 17.89 92.28 49.62 -65.74 -40.14 0.68 0.00 99.32 0.12 0.05 0.40 99.17 0.26 0.00 0.00 0.00 28 G H H 36.94 2.70 14.98 18.32 92.26 51.23 -64.53 -40.99 1.24 0.00 98.76 0.15 0.07 0.85 98.60 0.33 0.00 0.00 0.00 29 L H H 94.31 2.30 15.34 17.73 92.45 49.71 -65.76 -40.93 1.05 0.00 98.95 0.15 0.06 0.67 98.87 0.24 0.00 0.00 0.00 30 M H H 102.37 2.31 15.42 17.82 92.13 50.30 -64.94 -40.79 0.66 0.00 99.34 0.12 0.05 0.37 99.37 0.09 0.00 0.00 0.00 31 G H H 35.50 2.54 14.76 17.94 92.00 51.30 -64.25 -40.99 0.84 0.00 99.15 0.12 0.05 0.54 99.21 0.08 0.00 0.00 0.00 32 F H H 116.74 2.05 15.21 17.23 92.22 50.26 -64.78 -41.46 0.20 0.00 99.80 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 33 I H H 90.15 2.29 15.05 17.50 91.95 49.94 -64.36 -42.18 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 34 V H H 81.20 2.09 14.88 17.07 92.00 49.68 -63.92 -42.38 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 35 Y H H 128.41 2.04 14.58 16.76 92.15 49.61 -64.88 -41.23 0.28 0.00 99.72 0.02 0.01 0.19 99.70 0.07 0.00 0.00 0.00 36 K H H 118.32 2.11 14.36 16.76 92.19 50.26 -65.11 -40.24 1.01 0.01 98.99 0.09 0.05 0.76 98.88 0.21 0.00 0.00 0.00 37 I H H 97.40 2.35 13.90 16.64 92.82 48.98 -66.27 -40.23 3.34 0.05 96.61 0.41 0.29 2.46 96.22 0.58 0.01 0.03 0.01 38 R H H 147.26 1.77 14.05 15.89 92.89 51.04 -67.34 -37.56 12.59 0.15 87.26 1.78 1.24 9.19 86.62 1.01 0.03 0.07 0.05 39 A H H 66.95 2.28 13.11 15.94 95.01 50.09 -73.61 -29.35 36.64 0.70 62.66 8.52 5.27 22.87 60.65 1.97 0.06 0.31 0.34 40 A C H 60.78 3.47 11.32 16.21 99.15 66.34 -72.96 -31.22 53.04 1.06 45.90 19.48 14.54 18.69 43.69 2.64 0.04 0.41 0.50 41 D C H 86.50 2.79 12.43 16.12 102.39 57.99 -74.71 11.65 50.36 0.63 49.01 28.45 7.57 13.55 46.95 2.91 0.01 0.26 0.30 42 K H H 139.42 1.86 12.46 14.93 94.23 51.67 -65.44 -36.43 18.68 0.26 81.06 9.03 3.50 6.99 76.17 4.06 0.02 0.12 0.11 43 R H H 155.80 1.32 13.50 14.50 92.59 53.10 -65.75 -39.08 11.74 0.22 88.03 5.18 1.99 5.13 82.86 4.62 0.02 0.12 0.07 44 S H H 55.35 2.80 12.16 16.25 92.63 51.09 -65.85 -39.40 9.07 0.18 90.74 4.29 1.39 3.78 85.39 4.96 0.01 0.12 0.05 45 K H H 123.69 1.86 12.84 15.15 92.58 51.20 -65.63 -39.77 6.70 0.13 93.16 2.39 1.07 3.45 87.64 5.31 0.02 0.09 0.04 46 A H H 64.96 1.65 12.43 14.28 92.50 51.67 -65.35 -39.26 8.96 0.16 90.89 2.60 1.29 5.19 85.50 5.25 0.03 0.10 0.05 47 L H H 110.25 1.67 11.75 13.79 93.33 50.36 -69.01 -34.28 16.34 0.27 83.39 4.65 2.57 9.62 77.55 5.30 0.05 0.15 0.12 48 K H H 139.49 2.11 10.74 13.97 94.92 58.09 -70.80 -30.88 29.38 0.64 69.98 9.49 5.69 15.79 63.49 4.82 0.10 0.30 0.33 49 A C H 85.46 1.50 10.33 12.56 97.78 58.90 -75.52 -17.65 52.12 1.03 46.84 18.64 9.61 25.06 40.73 4.87 0.06 0.45 0.56 50 S C C 90.24 1.37 9.35 11.46 101.46 61.31 -87.28 2.41 74.08 2.06 23.86 36.37 15.46 22.83 18.38 4.94 0.02 0.89 1.10 51 A C S 77.03 2.37 8.10 12.37 119.07 103.74 -91.72 146.26 95.80 3.14 1.06 45.88 48.48 1.96 0.54 0.41 0.00 1.40 1.31 52 P C C 114.83 1.40 8.93 11.58 113.58 -101.57 -68.93 145.55 93.07 5.94 0.99 77.34 13.13 2.28 0.39 0.60 0.00 3.40 2.84 53 A C C 82.59 2.52 6.94 11.49 116.59 -114.83 -85.02 145.02 93.26 5.95 0.79 78.22 13.32 1.48 0.26 0.54 0.00 3.32 2.85 54 P C C 116.10 1.31 8.23 10.64 111.57 -102.09 -69.04 145.12 91.86 5.02 3.11 62.48 14.72 14.21 0.57 2.96 0.00 3.18 1.88 55 G C C 60.31 1.61 6.55 9.83 113.36 -129.85 -91.68 144.88 90.61 5.33 4.06 53.52 19.18 17.67 0.64 3.84 0.00 3.05 2.10 56 H C C 164.29 0.99 6.87 8.97 109.86 -132.82 -93.07 106.60 92.60 4.41 2.99 83.27 3.54 5.90 0.65 2.06 0.00 2.59 1.98 57 H C C 149.02 2.19 8.52 12.34 109.59 -151.06 -92.73 106.30 99.85 0.13 0.03 99.62 0.19 0.10 0.01 0.01 0.00 0.06 0.02