# 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 111.53 5.79 10.34 17.52 111.24 -165.82 -85.47 127.45 99.93 0.03 0.04 99.82 0.08 0.06 0.01 0.00 0.00 0.01 0.01 1 A C C 75.39 3.33 9.25 14.22 109.31 -123.22 -80.70 137.66 91.29 1.30 7.40 84.34 1.35 7.27 2.96 2.73 0.00 0.66 0.69 2 E C C 144.89 2.00 8.76 12.26 105.25 -126.81 -83.31 57.03 89.06 2.34 8.61 57.23 17.35 14.74 2.78 5.50 0.00 1.19 1.21 3 K C C 146.69 2.50 8.64 12.72 108.35 84.89 -91.88 88.38 87.40 3.40 9.19 52.53 22.83 12.37 3.05 5.67 0.00 1.53 2.02 4 S C C 69.41 3.82 8.07 13.68 116.18 83.08 -95.22 143.89 90.40 3.11 6.49 62.39 17.02 10.81 2.21 4.17 0.00 1.39 2.00 5 T C T 113.93 1.57 9.15 11.87 99.21 -126.47 -80.34 -6.91 92.67 1.03 6.30 27.65 25.37 40.14 1.72 4.04 0.00 0.47 0.61 6 T C T 99.85 2.22 9.56 13.08 104.10 70.30 -87.98 3.13 92.90 1.22 5.88 20.83 30.59 41.97 1.60 3.71 0.00 0.54 0.76 7 G C S 55.11 2.00 11.07 14.19 102.87 -98.63 84.66 1.30 94.23 2.17 3.60 37.77 46.78 10.02 1.22 1.99 0.00 0.84 1.37 8 L C C 87.37 5.64 8.09 15.61 117.14 119.19 -88.10 144.11 93.45 2.85 3.69 70.83 19.38 2.79 2.86 0.94 0.00 0.99 2.23 9 T C C 76.20 2.11 13.17 15.66 119.46 -121.82 -79.32 162.33 92.67 1.82 5.51 83.29 7.09 1.74 5.37 0.66 0.00 0.59 1.25 10 E H H 138.49 2.34 11.26 15.13 92.83 -103.71 -59.14 -38.95 6.91 0.04 93.05 2.27 1.68 3.04 91.89 1.07 0.01 0.01 0.02 11 A H H 75.13 1.15 13.62 14.04 92.32 51.48 -64.88 -40.21 4.18 0.02 95.80 0.96 0.59 2.49 94.75 1.19 0.01 0.01 0.01 12 E H H 96.15 2.64 13.08 16.55 92.42 49.14 -66.24 -39.81 2.44 0.02 97.55 0.79 0.31 1.27 96.44 1.17 0.00 0.01 0.01 13 S H H 42.82 4.97 11.28 18.42 92.08 51.81 -64.28 -41.02 1.57 0.01 98.43 0.59 0.20 0.71 97.90 0.60 0.00 0.00 0.00 14 K H H 126.96 1.71 15.02 16.58 91.83 50.24 -65.00 -40.53 1.52 0.01 98.47 0.36 0.16 0.86 98.22 0.39 0.00 0.00 0.00 15 E H H 111.49 1.51 15.29 16.06 91.91 50.37 -64.96 -41.44 1.88 0.01 98.12 0.33 0.16 1.18 97.95 0.36 0.00 0.00 0.00 16 F H H 111.37 2.74 14.57 17.86 92.17 49.44 -64.61 -41.42 1.63 0.00 98.36 0.32 0.15 0.95 98.32 0.26 0.00 0.00 0.00 17 H H H 103.93 3.00 14.46 18.29 91.85 50.31 -64.42 -40.44 0.93 0.00 99.07 0.16 0.07 0.52 99.10 0.15 0.00 0.00 0.00 18 G H H 38.12 2.09 14.93 17.16 91.86 51.21 -64.00 -40.97 0.96 0.00 99.04 0.12 0.06 0.60 99.06 0.15 0.00 0.00 0.00 19 I H H 101.34 1.76 14.99 16.38 92.17 49.54 -65.04 -41.59 0.50 0.00 99.50 0.06 0.03 0.31 99.49 0.11 0.00 0.00 0.00 20 F H H 118.20 2.43 14.45 17.35 92.14 49.21 -65.02 -41.46 0.28 0.00 99.72 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 21 M H H 103.35 2.13 14.91 17.19 91.87 49.64 -64.58 -41.23 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 22 A H H 61.15 1.79 15.29 16.72 91.89 50.39 -63.88 -41.34 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 23 S H H 57.42 2.35 14.54 17.31 91.93 50.39 -64.33 -41.04 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 24 M H H 98.94 2.75 14.35 17.80 92.11 50.28 -65.01 -40.68 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 25 T H H 80.74 1.76 15.18 16.62 91.85 50.72 -64.81 -41.00 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 26 L H H 100.65 1.40 15.36 15.83 91.82 49.60 -64.73 -41.69 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 27 W H H 141.59 2.42 14.27 17.26 92.05 49.26 -65.27 -41.16 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 28 F H H 114.21 2.81 14.54 18.01 91.99 50.07 -64.50 -40.99 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 29 G H H 41.25 1.47 15.82 16.34 91.65 50.25 -64.17 -41.65 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 30 L H H 96.61 1.67 15.96 16.93 92.19 49.37 -65.23 -41.46 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 31 V H H 67.06 4.16 13.71 19.42 92.02 50.11 -64.58 -41.61 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 32 V H H 84.49 2.16 15.81 17.88 91.97 50.17 -63.84 -41.93 0.12 0.00 99.88 0.00 0.00 0.08 99.88 0.03 0.00 0.00 0.00 33 L H H 101.41 1.20 16.78 16.27 91.93 49.40 -64.49 -41.84 0.13 0.00 99.87 0.00 0.00 0.09 99.86 0.04 0.00 0.00 0.00 34 A H H 51.88 3.08 14.34 18.47 91.94 50.26 -64.38 -41.15 0.44 0.00 99.56 0.01 0.01 0.38 99.50 0.10 0.00 0.00 0.00 35 H H H 97.88 3.88 13.90 19.07 92.20 50.08 -64.81 -40.93 1.81 0.00 98.19 0.04 0.04 1.76 97.98 0.19 0.00 0.00 0.00 36 I H H 102.93 1.39 15.38 15.82 91.98 49.64 -64.60 -41.79 1.48 0.00 98.51 0.07 0.07 1.25 98.25 0.35 0.00 0.00 0.00 37 L H H 96.14 1.51 14.58 15.51 92.07 49.66 -64.99 -40.41 1.80 0.00 98.20 0.14 0.10 1.39 95.72 2.65 0.00 0.00 0.00 38 S H H 52.52 3.46 11.64 16.79 92.50 51.28 -64.88 -40.08 2.79 0.00 97.20 0.15 0.13 2.29 92.16 5.27 0.00 0.00 0.00 39 W H H 154.74 2.14 11.82 14.83 92.90 50.40 -66.23 -37.13 3.74 0.00 96.26 0.17 0.17 3.13 88.79 7.74 0.00 0.00 0.00 40 L H H 122.61 1.04 11.82 12.53 93.06 51.43 -70.44 -30.09 15.05 0.01 84.94 0.44 0.56 13.97 79.00 6.02 0.01 0.00 0.01 41 Y H H 163.18 1.45 10.23 12.15 98.01 46.99 -87.53 -12.23 37.33 0.09 62.57 2.47 3.16 31.28 57.16 5.74 0.05 0.04 0.10 42 R C C 125.36 4.39 7.25 13.49 109.56 87.69 -89.90 110.92 67.87 0.93 31.21 37.48 17.50 13.28 8.61 22.03 0.01 0.37 0.71 43 P C T 110.10 1.47 8.69 11.39 97.32 -154.65 -68.15 -15.89 69.75 0.49 29.77 20.43 8.82 40.01 4.74 25.47 0.00 0.25 0.28 44 W C T 204.32 1.11 8.36 10.13 99.81 60.16 -84.12 -0.48 72.19 0.58 27.23 32.49 3.42 37.86 4.14 21.48 0.00 0.34 0.27 45 L C C 108.08 4.37 8.99 15.10 106.74 95.42 -84.09 90.82 99.76 0.14 0.10 99.54 0.19 0.13 0.04 0.02 0.00 0.06 0.03