# 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 117.68 4.14 11.23 16.77 114.48 -157.65 -88.77 133.37 99.91 0.04 0.05 99.82 0.08 0.06 0.03 0.00 0.00 0.01 0.01 1 A C C 68.33 3.92 8.78 14.40 112.23 -120.78 -81.19 143.65 76.45 0.59 22.96 69.81 1.15 5.00 22.30 1.19 0.00 0.24 0.32 2 D C C 98.38 2.01 9.92 12.91 109.45 -117.40 -79.28 144.35 65.33 0.44 34.22 50.19 6.46 6.59 34.45 1.90 0.00 0.17 0.23 3 K H H 146.34 1.87 9.95 12.92 94.67 -106.44 -64.59 -36.42 21.45 0.24 78.31 10.99 4.18 7.42 72.79 4.39 0.01 0.12 0.11 4 A H H 73.53 1.49 11.15 13.01 93.01 52.52 -65.88 -38.58 18.10 0.20 81.69 8.61 3.30 7.03 76.42 4.44 0.01 0.10 0.09 5 D H H 85.53 2.43 11.50 14.90 93.30 50.72 -67.04 -37.18 16.17 0.23 83.60 9.63 2.74 4.81 78.54 4.07 0.01 0.12 0.09 6 Q H H 98.64 2.82 11.79 15.79 92.82 52.92 -66.22 -38.66 12.43 0.15 87.43 6.93 2.25 3.98 84.41 2.30 0.00 0.07 0.06 7 S H H 61.70 2.13 13.49 16.03 92.93 51.89 -65.96 -39.51 13.60 0.12 86.28 6.93 1.97 4.94 84.05 2.00 0.00 0.05 0.05 8 S H H 60.71 2.30 13.50 16.34 92.68 51.97 -65.50 -39.82 13.07 0.09 86.84 5.44 1.90 5.74 85.02 1.81 0.01 0.04 0.04 9 Y H H 124.61 2.56 12.95 16.38 92.50 51.30 -65.51 -40.64 8.00 0.07 91.93 3.57 1.20 3.41 90.19 1.56 0.01 0.03 0.04 10 L H H 95.96 2.27 13.39 16.30 92.05 50.94 -64.80 -41.00 3.28 0.04 96.67 1.41 0.45 1.49 95.26 1.34 0.01 0.02 0.01 11 I H H 99.88 2.06 13.74 16.12 92.21 50.00 -65.61 -40.28 2.56 0.03 97.41 0.76 0.34 1.45 95.82 1.60 0.01 0.02 0.01 12 K H H 124.20 1.97 13.91 16.17 92.48 50.48 -66.14 -40.00 3.59 0.04 96.38 0.74 0.44 2.37 94.29 2.11 0.01 0.02 0.01 13 F H H 118.78 2.67 13.11 16.65 92.83 48.96 -66.81 -39.97 4.97 0.03 95.00 0.84 0.57 3.38 90.94 4.22 0.02 0.02 0.01 14 I H H 102.88 2.98 13.05 17.04 93.46 49.38 -70.49 -30.88 12.23 0.06 87.71 1.58 1.10 9.05 79.88 8.30 0.03 0.03 0.03 15 S H H 70.40 2.94 12.92 16.88 95.66 54.71 -79.89 -15.92 40.57 0.12 59.32 2.90 2.79 34.36 52.92 6.85 0.04 0.05 0.09 16 T C T 77.44 3.86 11.76 17.11 106.15 73.91 -84.80 22.72 58.42 0.43 41.15 7.65 11.18 39.66 35.29 5.62 0.06 0.15 0.38 17 A H H 65.56 3.18 11.93 16.36 104.95 68.42 -70.70 -35.78 43.02 0.27 56.71 12.82 22.86 6.58 56.31 1.20 0.01 0.06 0.16 18 P H H 90.41 2.13 13.16 15.65 94.70 47.17 -67.06 -34.22 12.92 0.07 87.01 4.13 2.04 6.54 85.93 1.29 0.01 0.03 0.03 19 V H H 83.88 2.79 12.93 16.55 94.20 51.14 -66.79 -40.07 3.95 0.05 96.00 1.38 0.47 1.95 95.22 0.93 0.00 0.02 0.01 20 A H H 55.22 3.57 12.99 17.98 92.72 51.20 -65.14 -40.48 0.88 0.01 99.12 0.34 0.09 0.36 98.87 0.34 0.00 0.00 0.00 21 A H H 57.74 2.77 13.57 17.29 92.31 51.26 -64.37 -40.40 0.37 0.00 99.63 0.11 0.03 0.17 99.57 0.12 0.00 0.00 0.00 22 T H H 77.33 1.96 14.74 16.65 92.31 50.51 -65.11 -41.04 0.19 0.00 99.81 0.04 0.01 0.10 99.79 0.06 0.00 0.00 0.00 23 I H H 95.03 2.13 14.29 16.65 92.15 49.75 -65.01 -41.60 0.13 0.00 99.87 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 24 W H H 143.14 2.46 13.91 17.05 92.01 49.90 -65.26 -40.81 0.18 0.00 99.82 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 25 L H H 98.31 1.98 14.38 16.51 91.99 50.20 -64.70 -40.98 0.20 0.00 99.80 0.04 0.01 0.11 99.80 0.03 0.00 0.00 0.00 26 T H H 82.71 1.62 14.91 16.06 92.14 49.33 -65.15 -41.10 0.33 0.00 99.67 0.09 0.03 0.17 99.67 0.04 0.00 0.00 0.00 27 I H H 98.70 2.11 14.78 16.93 92.47 48.26 -65.16 -41.43 0.36 0.00 99.63 0.07 0.02 0.22 99.64 0.05 0.00 0.00 0.00 28 T H H 72.57 2.52 14.94 17.83 92.23 48.88 -64.74 -41.50 0.67 0.00 99.33 0.10 0.05 0.45 99.32 0.08 0.00 0.00 0.00 29 A H H 58.55 2.08 15.19 17.31 91.84 50.45 -64.37 -41.09 0.65 0.00 99.35 0.10 0.05 0.39 99.39 0.06 0.00 0.00 0.00 30 G H H 35.02 2.52 14.40 17.62 92.06 51.11 -63.71 -41.26 0.59 0.00 99.41 0.10 0.04 0.34 99.46 0.06 0.00 0.00 0.00 31 I H H 94.44 2.28 15.08 17.53 92.11 49.88 -64.66 -41.30 0.37 0.00 99.63 0.04 0.02 0.23 99.66 0.05 0.00 0.00 0.00 32 L H H 93.74 2.25 14.92 17.41 92.03 50.14 -64.71 -41.25 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.06 0.00 0.00 0.00 33 I H H 91.70 2.23 14.42 16.96 91.94 50.01 -64.67 -41.40 0.31 0.00 99.69 0.03 0.01 0.20 99.65 0.10 0.00 0.00 0.00 34 E H H 102.21 2.07 14.34 16.62 91.96 50.32 -64.19 -41.06 0.54 0.00 99.46 0.04 0.02 0.39 99.32 0.22 0.00 0.00 0.00 35 F H H 109.52 2.45 13.46 16.46 92.09 49.11 -65.21 -40.18 0.70 0.00 99.29 0.05 0.04 0.53 98.78 0.60 0.00 0.00 0.00 36 N H H 80.71 4.13 11.19 16.96 92.21 51.79 -67.64 -33.57 2.32 0.00 97.67 0.11 0.08 2.07 96.18 1.57 0.00 0.00 0.00 37 R H H 160.39 1.38 12.23 13.78 93.71 50.98 -70.16 -36.08 6.36 0.00 93.64 0.11 0.18 6.41 92.17 1.12 0.00 0.00 0.00 38 F H H 155.17 1.02 12.17 12.53 97.72 38.10 -82.79 -29.18 10.03 0.02 89.96 0.25 0.84 9.21 89.11 0.54 0.02 0.00 0.01 39 F C C 111.49 3.50 9.16 14.36 109.28 33.39 -124.64 73.73 98.60 0.45 0.95 64.02 33.53 0.96 0.69 0.22 0.00 0.11 0.47 40 P C T 90.43 3.27 8.86 14.20 101.16 170.77 -64.49 -20.02 59.10 0.28 40.62 9.00 4.69 43.95 5.43 36.60 0.00 0.15 0.17 41 D C G 118.07 1.25 11.63 13.11 96.62 51.56 -76.85 1.30 52.93 0.20 46.87 5.37 4.47 41.48 6.69 41.75 0.00 0.11 0.13 42 L H G 91.73 4.91 8.59 15.31 100.52 96.24 -78.52 1.60 39.67 0.57 59.76 20.63 5.62 11.80 5.75 55.69 0.00 0.31 0.19 43 L C G 116.99 3.06 9.63 14.22 97.50 103.01 -75.19 -19.43 58.19 1.25 40.56 17.51 12.23 28.90 5.06 35.08 0.01 0.62 0.59 44 F C T 157.07 1.70 10.07 12.86 111.72 46.59 -106.36 95.10 65.04 3.11 31.85 20.69 15.30 29.65 3.50 27.83 0.02 1.44 1.57 45 H C S 128.15 3.02 7.49 12.64 118.31 127.34 -97.41 136.29 95.96 3.30 0.74 41.55 53.02 1.73 0.19 0.49 0.00 1.64 1.37 46 P C C 115.60 1.23 8.64 11.09 111.48 -111.99 -71.56 140.26 97.80 1.96 0.24 84.33 11.72 1.71 0.06 0.20 0.00 1.07 0.91 47 L C C 124.57 2.67 6.66 11.40 115.66 -118.38 -89.95 136.63 99.50 0.48 0.02 98.01 1.50 0.10 0.01 0.01 0.00 0.18 0.20 48 P C C 108.60 1.91 11.20 14.22 109.12 -98.55 -68.96 138.91 99.98 0.02 0.00 99.81 0.13 0.05 0.00 0.00 0.00 0.01 0.00