# 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 117.65 5.29 10.42 17.33 113.33 -159.82 -93.08 129.34 99.92 0.06 0.02 99.83 0.08 0.05 0.01 0.00 0.00 0.02 0.01 1 T C C 95.29 3.19 9.28 14.24 115.66 -160.30 -97.16 138.95 94.94 2.14 2.92 86.42 1.88 7.17 1.29 1.06 0.00 1.11 1.08 2 D C C 113.01 2.21 9.09 12.96 111.14 -127.61 -87.06 115.96 94.57 1.74 3.69 62.39 22.13 10.11 1.54 1.97 0.00 0.78 1.08 3 K C C 122.96 4.10 8.35 14.32 115.27 -134.42 -87.21 136.02 90.61 0.86 8.53 64.32 20.02 6.31 5.34 3.05 0.00 0.34 0.62 4 P C C 86.67 3.54 9.30 14.56 109.98 -108.20 -68.88 143.91 83.66 0.77 15.57 65.78 7.29 10.79 8.05 7.18 0.00 0.35 0.57 5 Q C C 132.30 2.55 9.97 13.83 98.62 -102.73 -74.10 -21.60 58.64 0.84 40.51 28.35 9.60 20.95 13.43 26.71 0.01 0.38 0.59 6 N C G 105.07 3.38 9.39 14.31 99.87 59.48 -85.52 1.78 53.78 0.75 45.47 18.99 10.09 24.95 14.09 31.01 0.02 0.33 0.52 7 D C C 99.82 3.48 10.11 15.16 99.93 85.34 -83.86 2.15 57.98 1.10 40.91 28.58 11.90 18.05 12.16 28.08 0.01 0.48 0.74 8 L C C 111.02 3.37 10.23 15.15 102.52 87.38 -86.51 13.14 76.95 1.61 21.43 39.02 22.28 16.36 9.06 11.31 0.01 0.60 1.36 9 V C C 75.34 5.91 8.78 16.63 117.27 106.08 -96.32 134.53 97.02 1.02 1.96 47.83 47.45 1.81 1.23 0.58 0.00 0.28 0.81 10 P C C 76.09 4.27 10.58 16.68 110.99 -108.01 -65.45 147.14 87.34 0.87 11.79 73.29 6.26 7.82 4.05 7.63 0.00 0.41 0.55 11 D C G 113.02 2.31 10.20 13.95 98.98 -118.83 -70.67 -24.90 57.54 0.85 41.60 25.81 10.81 20.15 6.02 36.35 0.00 0.43 0.42 12 Q C G 138.65 1.34 10.40 12.36 95.39 64.78 -73.74 -18.44 52.96 0.99 46.06 17.21 11.14 24.85 6.84 38.96 0.01 0.52 0.47 13 W C G 155.69 3.80 8.92 14.36 99.80 57.03 -89.59 -2.93 55.49 1.62 42.88 28.32 11.70 15.96 7.89 34.50 0.00 0.80 0.83 14 K C C 112.76 4.59 9.74 16.09 107.25 93.63 -82.21 76.17 72.48 2.04 25.48 41.72 22.58 8.69 17.44 7.47 0.01 0.79 1.29 15 P C C 93.70 2.22 11.16 14.31 98.69 56.55 -69.80 -27.07 64.12 1.81 34.07 37.74 11.94 14.56 22.29 11.64 0.01 0.88 0.94 16 L C C 110.96 2.30 10.79 14.14 96.32 60.73 -73.68 -32.35 56.79 2.11 41.10 30.45 13.05 14.14 28.80 11.47 0.04 1.01 1.04 17 F C C 121.10 3.38 10.71 15.52 102.11 53.51 -85.15 -16.70 55.91 1.98 42.11 33.72 11.42 11.48 32.98 8.46 0.03 0.91 1.00 18 N H H 96.30 2.58 12.57 15.93 102.98 54.44 -74.20 -39.74 38.82 0.67 60.51 17.56 11.62 11.54 55.02 3.60 0.04 0.27 0.35 19 N H H 102.92 2.48 12.75 15.93 95.88 28.45 -67.07 -28.66 24.42 0.23 75.34 7.95 5.35 12.24 70.95 3.24 0.03 0.09 0.14 20 A H H 59.06 2.84 12.99 16.79 93.74 57.10 -66.17 -38.82 12.31 0.15 87.54 5.33 2.16 5.58 84.04 2.73 0.02 0.07 0.08 21 Q H H 93.90 2.91 13.56 17.44 92.60 52.36 -65.05 -40.31 6.41 0.11 93.48 3.26 1.03 2.64 91.09 1.86 0.01 0.06 0.05 22 W H H 143.02 2.38 14.00 16.96 92.56 50.59 -65.26 -40.61 3.93 0.08 96.00 1.61 0.58 1.91 94.50 1.31 0.01 0.04 0.03 23 L H H 89.72 2.29 14.51 17.11 92.23 50.45 -64.58 -41.52 3.25 0.06 96.69 1.24 0.46 1.64 95.78 0.82 0.01 0.03 0.02 24 V H H 84.42 2.00 15.05 16.99 92.03 49.42 -64.29 -41.90 2.04 0.02 97.93 0.73 0.27 1.02 97.59 0.36 0.00 0.01 0.01 25 H H H 105.56 2.36 14.69 17.46 91.92 49.75 -64.87 -40.91 1.26 0.01 98.73 0.39 0.14 0.63 98.64 0.20 0.00 0.00 0.00 26 D H H 78.05 2.67 14.72 17.98 92.19 50.90 -64.77 -40.34 1.16 0.01 98.83 0.28 0.11 0.65 98.79 0.16 0.00 0.00 0.00 27 I H H 95.20 2.01 15.03 16.93 92.00 49.81 -64.60 -42.13 0.59 0.00 99.41 0.13 0.06 0.33 99.38 0.09 0.00 0.00 0.00 28 V H H 86.38 1.96 15.20 17.05 91.89 48.82 -64.69 -42.14 0.36 0.00 99.64 0.08 0.03 0.19 99.64 0.05 0.00 0.00 0.00 29 V H H 79.74 2.36 14.78 17.53 91.75 48.87 -64.78 -41.69 0.31 0.00 99.69 0.06 0.03 0.17 99.69 0.05 0.00 0.00 0.00 30 K H H 118.03 2.01 15.35 17.29 91.85 49.79 -64.67 -40.86 0.30 0.00 99.70 0.05 0.02 0.17 99.70 0.05 0.00 0.00 0.00 31 T H H 74.75 2.18 14.88 17.22 92.10 49.81 -65.05 -41.35 0.46 0.00 99.54 0.06 0.03 0.30 99.54 0.07 0.00 0.00 0.00 32 I H H 96.68 2.29 15.08 17.53 92.12 49.33 -65.35 -41.56 0.47 0.00 99.53 0.05 0.02 0.32 99.55 0.06 0.00 0.00 0.00 33 Y H H 132.19 1.94 15.69 17.37 92.08 49.30 -64.61 -41.66 0.32 0.00 99.68 0.04 0.02 0.21 99.70 0.05 0.00 0.00 0.00 34 G H H 38.15 1.94 15.48 17.22 91.63 49.86 -63.80 -41.85 0.38 0.00 99.62 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 35 G H H 38.21 2.66 14.47 17.82 91.96 50.43 -64.55 -40.97 0.37 0.00 99.63 0.04 0.02 0.25 99.64 0.05 0.00 0.00 0.00 36 L H H 93.05 2.53 15.05 17.96 92.11 50.32 -64.81 -40.88 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 37 I H H 101.02 1.46 16.47 16.78 91.93 49.86 -64.37 -41.97 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 38 I H H 98.22 1.78 16.28 17.44 91.87 48.97 -64.59 -41.82 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 39 A H H 48.12 4.13 13.81 19.57 91.94 50.76 -63.92 -41.49 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 40 V H H 84.57 2.09 16.23 18.05 91.77 50.04 -63.81 -41.84 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 41 I H H 101.68 1.31 17.05 16.73 91.84 49.09 -64.17 -42.02 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 42 A H H 51.16 3.23 14.50 18.86 91.86 49.92 -64.16 -41.28 0.24 0.00 99.76 0.01 0.00 0.18 99.75 0.05 0.00 0.00 0.00 43 H H H 100.06 3.60 14.30 19.05 92.07 50.36 -64.71 -40.83 1.00 0.00 99.00 0.03 0.02 0.91 98.93 0.11 0.00 0.00 0.00 44 V H H 90.73 1.35 15.55 15.84 91.85 49.72 -64.52 -41.55 0.84 0.00 99.16 0.05 0.04 0.68 99.00 0.23 0.00 0.00 0.00 45 L H H 97.08 1.57 14.77 15.80 92.03 49.69 -64.82 -40.68 0.94 0.00 99.06 0.07 0.04 0.73 97.92 1.24 0.00 0.00 0.00 46 C H H 62.81 3.66 11.96 17.27 92.12 50.61 -64.72 -40.50 1.45 0.00 98.55 0.07 0.06 1.26 96.06 2.55 0.00 0.00 0.00 47 W H H 159.89 1.80 12.79 14.99 92.40 50.74 -65.78 -38.04 2.56 0.00 97.44 0.09 0.09 2.37 92.82 4.62 0.00 0.00 0.00 48 A H H 77.50 1.17 12.72 13.39 92.75 51.88 -68.75 -32.45 14.55 0.01 85.45 0.25 0.38 14.54 81.43 3.39 0.01 0.00 0.00 49 W H H 159.06 2.27 11.01 14.18 97.43 44.13 -91.22 -11.64 38.40 0.06 61.54 1.91 2.58 33.77 56.65 4.98 0.03 0.02 0.07 50 T H G 66.19 5.25 8.14 15.34 99.24 89.26 -72.13 -28.81 29.93 0.30 69.77 12.91 5.29 11.14 26.55 43.81 0.00 0.15 0.14 51 P H G 99.60 1.52 10.13 12.27 94.53 65.49 -67.84 -24.73 23.54 0.17 76.29 5.16 2.63 14.15 23.05 54.85 0.00 0.09 0.07 52 W H G 197.19 1.10 8.92 10.53 95.60 59.93 -75.99 -17.09 23.36 0.38 76.26 5.21 2.99 13.99 21.93 55.52 0.01 0.22 0.14 53 I C C 118.54 2.72 7.16 11.55 103.30 64.27 -90.92 15.45 51.51 2.10 46.38 35.49 4.12 13.90 19.73 24.56 0.01 1.05 1.14 54 R C C 174.96 1.91 10.96 14.27 105.94 -146.87 -78.72 88.13 99.91 0.04 0.04 99.77 0.10 0.09 0.02 0.00 0.00 0.02 0.01