# 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 117.54 5.29 10.42 17.31 113.53 -158.91 -93.11 129.52 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 95.42 3.18 9.25 14.21 115.84 -161.18 -98.54 139.03 94.75 2.25 3.01 86.37 1.90 6.98 1.36 1.08 0.00 1.16 1.15 2 D C C 112.56 2.24 8.99 12.89 110.99 -129.63 -87.58 115.27 94.21 1.78 4.01 61.90 22.59 9.77 1.79 2.04 0.00 0.79 1.11 3 K C C 124.24 3.87 8.48 14.21 115.37 -132.99 -87.23 135.95 89.06 0.90 10.03 62.06 19.93 7.11 6.29 3.61 0.00 0.36 0.64 4 P C C 86.92 3.65 9.25 14.62 109.46 -106.62 -69.09 142.35 82.55 0.79 16.67 63.51 7.61 11.55 8.66 7.74 0.00 0.36 0.56 5 Q C C 130.35 2.62 9.99 13.93 98.99 -102.77 -75.39 -20.36 59.68 0.91 39.41 31.09 9.66 19.08 13.65 25.50 0.01 0.41 0.62 6 N C G 103.63 3.57 9.30 14.44 100.21 60.60 -84.72 2.15 54.40 0.80 44.80 20.59 10.39 23.79 14.15 30.14 0.02 0.36 0.56 7 D C C 101.09 3.33 10.19 15.07 99.70 79.47 -83.99 1.87 59.12 1.10 39.78 29.66 11.77 18.18 12.20 26.95 0.01 0.49 0.74 8 L C C 112.46 3.16 10.30 14.97 102.62 83.49 -86.19 12.22 76.55 1.60 21.85 39.06 21.94 16.20 9.37 11.49 0.01 0.60 1.34 9 V C S 74.13 6.08 8.56 16.55 117.10 104.45 -95.13 134.43 97.06 0.93 2.00 47.29 48.03 1.80 1.30 0.57 0.00 0.25 0.76 10 P C C 76.79 4.06 10.69 16.54 111.06 -108.01 -65.06 147.01 87.14 0.77 12.09 72.70 6.31 8.23 4.37 7.52 0.00 0.36 0.51 11 D C G 112.86 2.33 10.17 13.94 99.69 -117.47 -68.37 -23.58 57.45 0.83 41.72 25.39 10.77 20.63 6.46 35.91 0.00 0.42 0.42 12 Q C G 138.49 1.35 10.45 12.41 95.52 64.71 -73.51 -19.32 52.85 0.92 46.23 16.92 11.02 25.16 7.39 38.56 0.01 0.48 0.46 13 W C G 156.02 3.74 9.05 14.40 99.38 56.16 -90.69 -3.03 54.75 1.55 43.70 27.64 11.57 16.13 8.70 34.39 0.00 0.76 0.81 14 K C C 111.74 4.73 9.73 16.21 106.92 92.10 -80.63 66.15 70.21 1.94 27.85 41.57 21.16 8.07 19.21 8.02 0.01 0.76 1.19 15 P C C 93.02 2.29 11.19 14.45 98.34 60.91 -70.23 -26.10 62.29 1.82 35.89 38.77 10.33 13.19 23.09 12.79 0.01 0.92 0.90 16 L C C 112.02 2.29 10.85 14.15 96.22 61.13 -72.71 -31.45 56.17 2.19 41.64 30.57 12.30 14.00 28.09 12.86 0.04 1.08 1.06 17 F C C 120.98 3.57 10.53 15.59 103.34 54.57 -86.65 -12.31 56.37 2.05 41.59 34.10 11.36 11.51 31.61 9.40 0.03 0.95 1.04 18 N H H 96.61 2.68 12.43 15.98 102.69 56.18 -75.57 -35.04 44.90 0.69 54.40 19.09 13.35 13.77 49.43 3.68 0.04 0.28 0.37 19 N H H 103.78 2.59 12.58 15.94 96.29 20.06 -67.54 -23.52 30.75 0.26 68.99 10.18 7.13 14.51 64.78 3.10 0.03 0.10 0.16 20 A H H 60.00 2.85 12.87 16.69 94.13 60.76 -66.21 -38.52 13.19 0.15 86.67 6.03 2.45 5.54 83.33 2.51 0.01 0.06 0.08 21 E H H 99.58 2.89 13.45 17.31 92.65 52.64 -65.14 -40.26 6.37 0.11 93.52 3.30 1.01 2.58 91.20 1.81 0.01 0.06 0.05 22 W H H 142.44 2.43 13.86 16.93 92.61 50.71 -65.38 -40.72 3.68 0.07 96.25 1.53 0.55 1.77 94.71 1.36 0.01 0.04 0.03 23 L H H 89.03 2.32 14.39 17.06 92.27 50.41 -64.58 -41.53 3.08 0.06 96.86 1.17 0.43 1.55 95.95 0.83 0.01 0.03 0.02 24 V H H 84.72 1.96 15.00 16.86 92.07 49.44 -64.42 -41.93 2.00 0.02 97.98 0.71 0.27 0.99 97.65 0.35 0.00 0.01 0.01 25 H H H 105.35 2.37 14.57 17.38 91.99 49.66 -64.94 -40.85 1.28 0.01 98.71 0.38 0.13 0.65 98.62 0.20 0.00 0.00 0.00 26 D H H 78.76 2.69 14.62 17.94 92.24 50.93 -64.75 -40.28 1.25 0.01 98.75 0.28 0.11 0.72 98.71 0.17 0.00 0.00 0.00 27 I H H 95.75 1.97 14.98 16.80 91.99 49.79 -64.61 -42.11 0.62 0.00 99.38 0.14 0.06 0.35 99.35 0.09 0.00 0.00 0.00 28 V H H 86.85 1.91 15.15 16.91 91.89 48.77 -64.63 -42.10 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 79.35 2.40 14.64 17.49 91.81 48.85 -64.77 -41.65 0.30 0.00 99.70 0.06 0.02 0.16 99.70 0.05 0.00 0.00 0.00 30 K H H 118.13 2.00 15.28 17.23 91.80 49.88 -64.61 -40.87 0.28 0.00 99.72 0.05 0.02 0.16 99.73 0.05 0.00 0.00 0.00 31 T H H 75.27 2.10 14.90 17.07 92.11 49.78 -65.05 -41.34 0.43 0.00 99.57 0.05 0.03 0.28 99.58 0.06 0.00 0.00 0.00 32 I H H 96.56 2.27 15.02 17.45 92.11 49.35 -65.34 -41.55 0.45 0.00 99.55 0.04 0.02 0.32 99.56 0.05 0.00 0.00 0.00 33 Y H H 131.75 1.97 15.57 17.35 92.06 49.33 -64.63 -41.65 0.31 0.00 99.69 0.03 0.02 0.20 99.71 0.04 0.00 0.00 0.00 34 G H H 38.39 1.89 15.44 17.09 91.60 49.90 -63.78 -41.73 0.38 0.00 99.62 0.04 0.02 0.25 99.64 0.05 0.00 0.00 0.00 35 G H H 38.44 2.57 14.44 17.65 91.96 50.44 -64.51 -40.95 0.36 0.00 99.63 0.04 0.02 0.25 99.65 0.05 0.00 0.00 0.00 36 L H H 93.34 2.52 14.94 17.85 92.09 50.30 -64.89 -40.77 0.23 0.00 99.77 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 37 I H H 101.25 1.47 16.33 16.69 91.94 49.94 -64.37 -41.99 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 38 I H H 98.85 1.74 16.23 17.29 91.87 49.08 -64.61 -41.73 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 A H H 48.51 4.01 13.80 19.41 91.95 50.73 -64.08 -41.41 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 84.37 2.12 16.06 17.98 91.79 50.04 -63.88 -41.84 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 41 I H H 101.58 1.31 16.90 16.63 91.89 49.09 -64.18 -42.00 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 42 A H H 52.17 3.06 14.54 18.61 91.88 49.88 -64.14 -41.32 0.25 0.00 99.75 0.01 0.00 0.18 99.76 0.05 0.00 0.00 0.00 43 H H H 100.12 3.52 14.19 18.87 92.12 50.25 -64.78 -40.81 1.04 0.00 98.96 0.03 0.03 0.94 98.90 0.10 0.00 0.00 0.00 44 V H H 90.33 1.38 15.41 15.82 91.81 49.73 -64.51 -41.58 0.82 0.00 99.18 0.05 0.04 0.67 99.02 0.22 0.00 0.00 0.00 45 L H H 97.45 1.54 14.70 15.66 92.01 49.66 -64.67 -40.75 0.90 0.00 99.10 0.07 0.04 0.70 97.87 1.32 0.00 0.00 0.00 46 C H H 63.77 3.51 12.01 17.08 92.17 50.63 -64.80 -40.54 1.40 0.00 98.60 0.07 0.05 1.22 96.06 2.60 0.00 0.00 0.00 47 W H H 159.45 1.82 12.70 14.96 92.47 50.85 -65.76 -38.09 2.48 0.00 97.52 0.09 0.09 2.29 92.90 4.63 0.00 0.00 0.00 48 A H H 77.46 1.18 12.63 13.37 92.77 51.79 -68.70 -32.08 14.56 0.01 85.44 0.25 0.37 14.55 81.38 3.43 0.01 0.00 0.00 49 W H H 160.37 2.22 11.00 14.09 97.60 44.04 -91.75 -11.36 39.13 0.06 60.81 1.96 2.60 34.39 55.91 5.01 0.03 0.02 0.07 50 T H G 66.08 5.26 8.12 15.32 100.58 89.16 -73.89 -24.22 32.56 0.34 67.10 14.65 6.08 11.34 25.73 41.87 0.00 0.17 0.17 51 P H G 99.48 1.54 10.08 12.26 94.47 63.45 -67.60 -24.08 25.09 0.19 74.72 5.70 2.89 14.92 22.02 54.29 0.00 0.10 0.08 52 W H G 197.48 1.09 8.90 10.50 95.49 59.93 -75.94 -17.33 24.73 0.40 74.87 5.51 3.21 14.87 20.90 55.13 0.01 0.22 0.15 53 I C C 118.51 2.71 7.16 11.54 103.33 62.31 -90.96 13.56 51.70 2.06 46.23 35.65 4.19 13.88 18.81 25.33 0.01 1.03 1.11 54 R C C 175.12 1.90 10.97 14.28 105.22 -144.99 -78.77 82.67 99.91 0.04 0.05 99.75 0.10 0.10 0.02 0.00 0.00 0.02 0.01