# 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 119.95 4.22 10.54 16.37 109.98 -152.77 -86.95 122.64 99.80 0.04 0.16 99.65 0.09 0.12 0.10 0.01 0.00 0.01 0.01 1 R C C 153.22 2.98 9.14 13.82 109.56 -134.11 -87.79 121.70 78.87 0.74 20.40 70.73 1.53 4.97 21.01 1.06 0.00 0.28 0.42 2 D C C 94.08 2.33 9.32 12.88 109.51 -123.80 -81.82 129.53 69.86 0.90 29.24 56.82 5.36 5.30 30.18 1.50 0.00 0.33 0.50 3 I H H 118.49 2.37 8.89 12.77 94.45 -140.66 -65.25 -35.71 9.67 0.11 90.23 4.34 1.66 4.06 86.76 3.06 0.02 0.05 0.05 4 K H H 139.02 1.38 11.23 13.04 92.26 54.45 -66.32 -38.39 6.01 0.07 93.92 1.75 0.91 3.46 89.77 4.03 0.02 0.04 0.03 5 T H H 74.57 2.23 11.56 14.66 93.45 49.00 -67.00 -39.78 5.18 0.07 94.75 1.43 0.77 3.08 89.53 5.09 0.02 0.05 0.03 6 Y H H 124.07 3.29 11.30 15.96 93.21 49.62 -66.54 -38.69 4.87 0.05 95.08 1.18 0.67 2.94 89.56 5.59 0.01 0.03 0.02 7 L H H 99.90 2.91 12.07 16.16 93.48 50.85 -69.71 -33.58 13.49 0.09 86.42 1.82 1.22 9.99 77.56 9.28 0.04 0.05 0.04 8 S H H 72.29 2.44 12.91 16.11 95.18 55.37 -78.48 -18.83 39.57 0.14 60.29 3.01 2.93 33.16 53.12 7.56 0.06 0.07 0.11 9 V C H 81.96 4.29 11.62 17.39 103.19 67.59 -85.43 -3.64 54.14 0.44 45.43 8.34 11.81 34.45 39.55 5.25 0.08 0.15 0.38 10 A H H 59.79 3.82 11.64 17.00 105.46 79.18 -70.95 -33.95 37.84 0.26 61.90 13.79 15.47 8.35 60.01 2.15 0.01 0.08 0.14 11 P H H 87.78 2.64 12.90 16.23 94.78 38.52 -64.80 -34.22 18.38 0.13 81.50 6.21 2.78 9.24 79.23 2.41 0.01 0.06 0.06 12 V H H 89.12 2.18 13.42 15.94 93.60 51.37 -66.66 -40.08 6.57 0.12 93.32 2.56 0.84 3.13 91.42 1.94 0.01 0.06 0.04 13 L H H 86.78 3.02 13.38 17.43 92.76 50.42 -65.46 -40.39 1.85 0.03 98.12 0.94 0.21 0.67 97.51 0.65 0.00 0.01 0.01 14 S H H 54.32 3.51 13.12 18.03 92.32 51.20 -64.52 -40.45 1.00 0.01 98.98 0.46 0.09 0.39 98.80 0.24 0.00 0.01 0.00 15 T H H 80.02 1.98 14.78 16.71 92.51 50.69 -65.12 -40.54 0.37 0.00 99.62 0.11 0.03 0.18 99.56 0.12 0.00 0.00 0.00 16 L H H 100.74 1.67 14.87 16.18 92.20 49.60 -65.01 -41.32 0.27 0.00 99.73 0.06 0.02 0.14 99.67 0.11 0.00 0.00 0.00 17 W H H 140.92 2.62 14.28 17.55 92.27 48.98 -65.72 -41.13 0.44 0.01 99.55 0.11 0.03 0.26 99.48 0.11 0.00 0.01 0.00 18 F H H 117.88 2.47 14.46 17.49 92.18 50.13 -64.44 -41.13 0.43 0.01 99.56 0.09 0.04 0.26 99.54 0.06 0.00 0.00 0.00 19 G H H 41.51 1.79 15.13 16.59 92.26 50.73 -64.30 -40.87 0.57 0.00 99.43 0.13 0.05 0.33 99.41 0.08 0.00 0.00 0.00 20 A H H 63.57 1.98 15.14 16.97 92.47 49.82 -65.46 -40.81 0.65 0.00 99.34 0.10 0.04 0.43 99.32 0.10 0.00 0.00 0.00 21 L H H 90.52 2.75 15.18 18.38 92.60 48.73 -65.46 -41.34 1.05 0.00 98.95 0.13 0.07 0.74 98.91 0.14 0.00 0.00 0.00 22 A H H 57.26 2.42 15.01 17.80 91.80 51.32 -64.03 -40.85 0.97 0.00 99.02 0.12 0.06 0.63 99.09 0.10 0.00 0.00 0.00 23 G H H 36.68 2.19 14.83 17.32 91.89 51.22 -63.56 -41.23 0.89 0.00 99.11 0.13 0.06 0.54 99.19 0.09 0.00 0.00 0.00 24 L H H 93.80 2.20 15.13 17.44 92.19 50.10 -65.15 -40.65 0.49 0.00 99.51 0.07 0.03 0.30 99.54 0.07 0.00 0.00 0.00 25 L H H 92.80 2.53 14.66 17.74 92.16 50.30 -64.50 -41.10 0.28 0.00 99.72 0.04 0.01 0.16 99.73 0.06 0.00 0.00 0.00 26 I H H 93.58 2.06 14.66 16.78 91.94 49.93 -64.58 -41.46 0.21 0.00 99.79 0.03 0.01 0.13 99.79 0.05 0.00 0.00 0.00 27 E H H 103.94 1.89 14.54 16.41 92.04 50.42 -64.31 -40.92 0.36 0.00 99.64 0.03 0.02 0.24 99.61 0.10 0.00 0.00 0.00 28 I H H 85.04 2.98 13.12 17.07 92.22 49.86 -64.78 -40.48 0.50 0.00 99.50 0.04 0.02 0.35 99.30 0.28 0.00 0.00 0.00 29 N H H 83.31 4.02 11.35 16.98 92.44 51.74 -67.54 -33.08 1.70 0.00 98.30 0.10 0.06 1.44 97.44 0.96 0.00 0.00 0.00 30 R H H 166.43 1.13 12.44 13.38 93.28 50.73 -69.62 -34.91 5.97 0.00 94.03 0.11 0.16 5.96 92.89 0.86 0.00 0.00 0.00 31 L H H 124.93 1.09 11.98 12.59 97.35 39.71 -80.98 -30.38 9.00 0.01 90.98 0.22 0.70 8.28 90.31 0.45 0.02 0.00 0.01 32 F C C 111.33 3.61 8.97 14.30 109.56 30.80 -124.46 76.92 98.93 0.32 0.75 60.24 37.84 0.76 0.61 0.14 0.00 0.07 0.33 33 P C T 93.88 2.87 9.22 14.04 98.23 171.12 -64.52 -25.50 58.43 0.22 41.36 7.61 4.24 45.43 6.58 35.87 0.00 0.11 0.16 34 D C T 120.31 1.11 11.64 12.83 96.92 51.17 -79.12 1.12 52.04 0.17 47.78 4.43 4.18 41.98 8.90 40.28 0.00 0.09 0.14 35 A H G 59.86 5.26 8.80 15.83 100.86 93.89 -81.06 -2.30 36.24 0.51 63.25 16.97 5.56 13.38 7.98 55.67 0.00 0.27 0.17 36 L C G 111.06 3.77 9.62 15.03 100.32 85.41 -79.68 -6.14 52.72 1.10 46.18 16.34 9.84 27.26 7.20 38.23 0.01 0.55 0.56 37 S C G 85.07 1.90 10.20 13.35 109.02 74.64 -97.06 74.59 60.05 1.78 38.17 20.62 12.30 27.97 5.04 32.27 0.03 0.85 0.92 38 F C C 125.01 4.39 7.08 13.38 117.21 146.88 -97.23 133.46 86.20 1.73 12.07 42.65 33.26 10.42 2.16 9.64 0.00 0.73 1.14 39 P C C 111.31 1.49 9.10 11.74 107.38 -117.73 -71.89 133.45 89.29 0.87 9.84 43.94 17.12 27.51 1.18 9.38 0.00 0.45 0.42 40 F C C 161.85 1.96 7.42 11.01 107.53 -128.59 -88.34 84.84 90.83 0.94 8.22 65.14 4.21 21.75 1.28 6.63 0.00 0.51 0.48 41 F C C 147.09 3.37 9.14 14.24 106.76 -136.41 -88.35 68.93 99.93 0.05 0.02 99.77 0.12 0.07 0.01 0.00 0.00 0.02 0.01