# 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 136.42 2.60 8.71 13.21 115.51 -155.12 -95.41 133.96 99.90 0.08 0.02 99.82 0.09 0.03 0.01 0.00 0.00 0.03 0.01 1 K C C 163.43 1.20 7.46 10.10 116.14 -148.86 -97.81 133.27 94.62 3.54 1.84 92.38 0.99 1.79 0.74 0.61 0.00 1.73 1.76 2 R C C 176.07 1.83 6.37 10.08 115.09 -141.70 -95.87 130.17 92.53 4.13 3.35 76.81 9.96 5.50 0.90 2.54 0.00 2.66 1.64 3 T C C 111.41 1.34 7.72 10.35 110.61 -162.59 -96.17 106.52 93.27 3.48 3.25 64.31 19.87 8.89 0.69 2.82 0.00 2.16 1.26 4 F C C 151.50 2.67 6.99 11.58 115.91 -132.33 -99.76 129.91 93.23 4.11 2.66 64.26 23.13 5.52 0.80 1.98 0.00 1.90 2.41 5 Q C C 131.38 2.03 9.26 13.04 117.33 -162.46 -107.54 127.64 97.93 1.48 0.59 82.43 14.93 0.68 0.36 0.21 0.00 0.67 0.72 6 P C C 87.73 4.53 8.74 15.30 112.54 -111.48 -66.86 147.62 90.48 1.04 8.48 70.47 8.31 11.69 5.75 2.64 0.00 0.54 0.59 7 S C C 66.82 4.04 9.91 15.65 112.03 -122.05 -86.08 134.12 86.45 1.03 12.52 64.90 9.64 11.48 9.92 2.93 0.00 0.42 0.71 8 N C H 104.12 3.72 10.42 15.67 98.09 -151.87 -80.48 -18.87 51.10 0.91 47.98 32.92 12.79 6.09 44.65 2.74 0.01 0.32 0.48 9 R H H 153.61 2.19 11.78 14.94 93.79 67.39 -66.25 -38.71 16.24 0.30 83.45 8.83 3.41 4.87 80.12 2.51 0.01 0.15 0.10 10 R H H 138.93 1.87 13.27 15.40 93.00 51.76 -66.38 -39.77 9.08 0.28 90.64 4.81 1.59 3.29 87.41 2.64 0.02 0.17 0.07 11 R H H 105.86 4.77 12.21 18.62 92.99 51.67 -65.87 -40.27 5.76 0.23 94.02 2.94 1.00 2.27 91.00 2.58 0.01 0.14 0.05 12 A H H 46.09 6.84 11.31 19.84 92.42 51.78 -65.32 -39.34 5.32 0.18 94.51 2.34 0.85 2.43 91.72 2.50 0.02 0.11 0.05 13 R H H 159.87 1.74 14.41 16.33 94.08 48.57 -71.62 -35.63 8.13 0.19 91.68 2.33 1.20 4.84 88.80 2.60 0.06 0.11 0.07 14 N H H 104.21 2.33 14.73 17.20 98.90 42.28 -85.07 -31.67 16.28 0.20 83.53 2.67 2.36 11.51 80.97 2.21 0.09 0.08 0.11 15 H H H 102.40 4.87 13.12 19.30 104.07 29.64 -102.28 -6.02 40.34 0.53 59.13 7.74 9.71 23.62 56.52 1.79 0.10 0.17 0.35 16 G C H 26.25 5.98 14.47 22.04 116.00 -113.02 61.82 -163.99 60.16 0.76 39.08 32.55 13.93 14.03 34.77 3.97 0.01 0.28 0.45 17 F H H 99.89 8.69 12.81 22.49 93.79 -55.37 -65.94 -34.76 16.36 0.23 83.40 4.89 3.17 9.02 74.64 7.96 0.08 0.12 0.12 18 R H H 145.24 3.00 14.86 18.93 91.82 56.32 -64.42 -38.10 7.26 0.10 92.63 1.52 1.04 4.49 81.99 10.85 0.03 0.06 0.03 19 S H H 60.51 3.02 15.55 19.16 92.62 50.83 -67.21 -36.90 6.52 0.09 93.39 1.26 0.84 4.00 79.24 14.56 0.02 0.05 0.03 20 R H H 99.89 7.21 13.31 21.97 93.44 51.96 -73.58 -27.18 12.75 0.13 87.12 1.97 1.61 8.62 74.47 13.12 0.07 0.07 0.07 21 M H H 74.53 9.26 10.62 21.19 97.12 60.82 -84.22 0.00 45.07 0.45 54.48 11.74 4.80 28.65 45.43 8.81 0.05 0.19 0.33 22 S C T 86.50 1.54 14.60 16.13 94.74 87.05 -81.86 -14.17 81.90 0.51 17.59 19.71 18.77 43.43 13.20 4.28 0.01 0.17 0.43 23 T C S 66.14 3.52 11.46 16.69 124.53 73.42 -101.64 156.87 96.98 1.21 1.81 12.27 83.71 0.80 1.67 0.13 0.00 0.19 1.23 24 R H H 180.06 1.17 12.84 14.30 92.15 -115.78 -59.91 -37.51 3.56 0.01 96.43 0.33 0.80 2.09 96.38 0.39 0.00 0.00 0.00 25 A H H 72.38 1.56 14.31 15.64 91.73 52.43 -63.92 -40.36 2.36 0.00 97.64 0.15 0.17 1.84 97.32 0.51 0.00 0.00 0.00 26 G H H 19.69 7.42 11.76 21.52 91.98 50.23 -64.50 -40.93 1.01 0.00 98.99 0.14 0.07 0.66 98.59 0.53 0.00 0.00 0.00 27 R H H 121.50 4.49 14.72 20.60 91.60 51.46 -63.80 -40.83 0.36 0.00 99.64 0.09 0.03 0.18 99.56 0.14 0.00 0.00 0.00 28 S H H 64.89 1.64 17.74 18.14 91.89 50.43 -64.65 -41.17 0.47 0.00 99.53 0.10 0.03 0.25 99.57 0.05 0.00 0.00 0.00 29 I H H 82.90 3.45 17.02 20.94 91.93 49.23 -64.48 -42.65 0.21 0.00 99.79 0.05 0.01 0.11 99.80 0.03 0.00 0.00 0.00 30 L H H 55.38 7.55 14.55 23.83 91.72 49.63 -63.88 -42.13 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 31 A H H 52.18 2.77 16.90 19.96 91.34 50.66 -63.21 -41.19 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 32 A H H 53.37 2.14 15.84 17.97 91.61 50.75 -63.77 -41.29 0.50 0.00 99.50 0.04 0.02 0.33 99.52 0.09 0.00 0.00 0.00 33 R H H 103.43 4.79 13.29 19.48 92.18 49.95 -65.24 -40.39 1.40 0.00 98.60 0.21 0.10 0.89 98.52 0.28 0.00 0.00 0.00 34 R H H 131.50 3.85 12.50 17.81 91.80 51.20 -64.79 -39.76 3.69 0.02 96.29 0.64 0.28 2.45 95.73 0.87 0.00 0.01 0.00 35 R H H 179.25 0.82 13.35 13.33 91.66 51.97 -66.60 -33.08 11.49 0.05 88.45 0.82 0.70 9.81 87.62 0.98 0.02 0.02 0.02 36 K C T 141.07 1.56 11.72 13.59 94.56 52.15 -83.89 -7.26 66.97 0.09 32.94 1.30 2.80 60.58 34.01 1.20 0.01 0.03 0.07 37 G C T 51.49 2.80 11.47 15.55 98.80 -101.95 81.07 8.28 90.90 0.16 8.93 8.51 6.73 75.09 8.18 1.32 0.00 0.07 0.10 38 R C C 137.89 4.16 9.76 15.51 102.55 124.26 -79.93 -6.22 72.44 0.90 26.66 53.38 9.06 9.96 14.61 12.01 0.00 0.39 0.59 39 V C C 93.09 4.78 10.00 16.26 107.12 75.21 -88.26 33.91 60.03 1.41 38.56 30.80 12.35 17.16 17.01 21.27 0.02 0.70 0.70 40 N C C 119.84 1.85 11.04 13.89 104.77 59.98 -83.79 43.43 57.43 2.24 40.33 30.14 11.07 16.74 17.19 22.68 0.03 1.19 0.96 41 L C C 117.01 3.63 7.88 13.26 104.30 93.38 -85.67 11.06 61.66 3.18 35.16 34.97 12.13 14.90 17.87 17.01 0.03 1.66 1.43 42 S C C 85.43 2.06 8.37 12.01 108.71 83.05 -91.61 98.32 78.27 2.20 19.53 62.70 3.23 13.87 11.74 6.11 0.00 1.23 1.13 43 A C C 82.36 3.00 10.14 14.82 107.32 -118.66 -82.20 95.12 99.85 0.07 0.08 99.62 0.15 0.14 0.04 0.01 0.00 0.04 0.01