# 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 121.14 4.14 9.71 15.50 114.71 -142.81 -88.06 139.12 99.93 0.04 0.02 99.81 0.11 0.04 0.01 0.00 0.00 0.02 0.01 1 S C C 70.75 3.10 8.97 13.73 114.29 -123.57 -86.22 141.27 91.49 0.22 8.29 88.72 0.77 2.80 6.64 0.85 0.00 0.08 0.14 2 P C H 96.95 2.72 8.97 13.17 100.63 -120.70 -68.90 -24.07 57.22 0.46 42.33 33.54 7.60 16.54 33.91 7.93 0.00 0.20 0.28 3 D H H 100.81 2.30 9.87 13.29 98.41 63.36 -76.47 -18.77 45.67 0.67 53.66 24.06 6.69 15.90 42.43 10.23 0.01 0.32 0.36 4 L H H 98.00 3.22 9.35 14.09 94.65 68.60 -67.64 -33.81 31.32 0.94 67.74 16.42 5.60 10.31 53.87 12.88 0.03 0.51 0.39 5 W H H 146.02 2.99 10.33 14.75 93.80 58.79 -67.14 -34.02 28.23 1.26 70.51 15.72 4.42 9.34 58.63 10.67 0.03 0.73 0.47 6 K H H 121.42 1.99 11.47 14.28 93.17 57.39 -66.41 -37.86 19.57 0.87 79.56 10.41 3.49 6.91 68.03 10.26 0.03 0.56 0.30 7 I H H 99.02 2.43 11.33 14.74 92.88 52.07 -66.58 -38.94 7.81 0.29 91.90 2.31 1.19 4.12 76.22 15.86 0.03 0.21 0.06 8 W H H 142.05 3.82 10.31 15.69 93.18 52.46 -70.05 -31.86 6.42 0.16 93.41 1.36 0.76 3.92 76.17 17.60 0.02 0.13 0.03 9 L H H 112.05 2.24 11.21 14.42 94.30 53.90 -73.23 -27.81 15.95 0.18 83.87 1.69 1.45 11.80 68.33 16.49 0.07 0.11 0.07 10 L H H 122.82 1.28 12.22 13.29 97.14 47.69 -83.88 -25.85 34.04 0.34 65.62 2.99 4.14 26.90 57.41 7.98 0.20 0.16 0.22 11 I C S 87.47 5.25 9.10 16.22 115.41 60.62 -104.40 127.36 72.32 2.70 24.98 18.09 45.43 8.22 23.89 1.47 0.11 0.64 2.17 12 D C C 78.51 3.57 12.38 17.44 108.31 -126.35 -84.29 114.82 98.10 0.16 1.74 95.60 1.99 0.52 1.64 0.11 0.00 0.06 0.08 13 P H H 77.79 5.21 10.55 17.97 93.23 -155.67 -61.77 -33.41 13.39 0.08 86.53 2.95 1.39 8.88 78.76 7.91 0.02 0.04 0.04 14 R H H 151.93 1.77 13.47 15.66 92.10 55.80 -65.28 -38.56 7.94 0.05 92.01 0.85 0.64 6.18 84.42 7.83 0.03 0.03 0.02 15 R H H 133.70 2.08 13.98 16.35 92.98 49.13 -66.86 -39.28 5.89 0.08 94.02 1.17 0.61 3.87 84.99 9.25 0.02 0.05 0.02 16 V H H 66.83 4.22 12.41 18.28 92.55 50.48 -65.55 -41.51 4.76 0.06 95.17 1.44 0.62 2.56 93.32 1.99 0.01 0.03 0.02 17 L H H 89.76 2.72 13.94 17.49 92.00 50.66 -64.74 -41.12 1.21 0.01 98.78 0.43 0.12 0.53 98.65 0.26 0.00 0.00 0.00 18 I H H 98.91 1.71 14.87 16.26 91.79 49.68 -64.76 -41.55 0.29 0.00 99.71 0.06 0.02 0.14 99.68 0.10 0.00 0.00 0.00 19 A H H 57.43 2.24 14.42 17.05 91.86 50.05 -64.14 -41.27 0.17 0.00 99.83 0.02 0.01 0.09 99.79 0.08 0.00 0.00 0.00 20 V H H 80.12 2.89 14.21 17.91 91.90 49.61 -64.94 -41.01 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.05 0.00 0.00 0.00 21 F H H 117.01 2.36 14.52 17.34 91.84 50.04 -65.01 -40.87 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 22 A H H 63.08 1.69 15.09 16.36 91.68 50.72 -64.43 -41.31 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 23 F H H 120.83 1.84 14.98 16.62 92.03 49.49 -65.03 -41.04 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 24 L H H 89.96 2.98 14.13 18.00 91.98 50.26 -64.81 -40.88 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 T H H 78.28 2.27 14.96 17.47 91.83 50.15 -64.37 -41.33 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 26 I H H 101.85 1.52 16.30 16.82 92.14 49.51 -64.75 -41.69 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 27 L H H 88.31 2.46 15.82 18.42 91.97 49.41 -64.44 -41.63 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 28 G H H 29.73 4.67 13.84 20.32 91.56 51.35 -63.09 -41.63 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 29 L H H 94.43 2.29 16.26 18.52 91.90 50.31 -64.57 -40.85 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 30 A H H 61.87 1.80 16.38 17.54 91.75 50.36 -64.35 -41.62 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 31 I H H 86.09 3.52 15.20 19.49 92.10 49.19 -64.77 -41.87 0.21 0.00 99.79 0.01 0.01 0.15 99.75 0.07 0.00 0.00 0.00 32 H H H 91.02 5.31 13.91 20.66 91.77 50.99 -63.68 -41.25 0.35 0.00 99.64 0.02 0.01 0.29 99.48 0.20 0.00 0.00 0.00 33 M H H 109.96 1.72 15.56 16.88 91.69 50.55 -64.44 -40.97 0.48 0.00 99.52 0.02 0.02 0.40 99.12 0.43 0.00 0.00 0.00 34 I H H 100.53 1.82 15.21 16.71 92.10 49.29 -65.49 -41.29 0.95 0.00 99.05 0.05 0.04 0.82 98.20 0.88 0.00 0.00 0.00 35 L H H 72.30 6.18 12.09 19.92 92.63 49.48 -66.86 -37.72 3.81 0.01 96.18 0.17 0.19 3.47 94.42 1.73 0.01 0.01 0.00 36 L H H 98.07 4.20 12.00 17.77 92.76 53.41 -72.61 -24.67 23.48 0.07 76.44 1.07 1.26 21.27 73.97 2.29 0.05 0.03 0.05 37 S C T 85.67 1.28 13.17 14.24 95.12 55.77 -85.38 -6.86 62.84 0.45 36.71 6.18 6.25 48.74 35.30 3.01 0.04 0.18 0.30 38 T C S 59.13 5.93 8.28 16.35 119.03 93.12 -91.49 144.24 90.93 2.07 7.00 40.29 44.93 5.46 5.30 1.67 0.00 0.60 1.75 39 T C T 116.72 1.30 11.76 13.65 95.73 -140.06 -74.08 -17.16 64.98 0.65 34.37 11.65 16.79 37.75 10.69 22.29 0.02 0.31 0.50 40 E C T 138.46 1.95 12.00 14.85 97.46 67.70 -78.75 -14.56 63.53 0.79 35.68 10.77 13.35 39.96 11.23 23.72 0.02 0.39 0.56 41 F C C 96.86 7.54 9.38 18.36 107.26 53.85 -100.48 91.76 60.47 3.13 36.41 25.69 14.58 21.72 11.28 23.37 0.05 1.47 1.84 42 N C C 73.33 5.87 11.70 19.35 106.95 135.61 -94.93 92.47 73.71 3.99 22.30 51.90 10.53 10.86 11.33 11.04 0.01 1.99 2.33 43 W C T 144.33 5.97 11.12 18.66 95.04 -154.39 -71.22 -20.31 65.73 2.11 32.16 15.55 13.68 37.16 11.49 19.65 0.08 1.06 1.32 44 L C T 110.35 3.36 11.08 15.83 97.47 58.46 -84.56 -8.98 63.94 4.21 31.85 18.05 13.28 33.70 11.49 18.91 0.17 2.19 2.22 45 E C C 123.29 3.53 9.94 15.23 105.98 89.65 -83.12 93.12 69.71 4.36 25.93 30.02 16.78 24.06 9.65 15.03 0.05 2.07 2.33 46 D C T 118.29 1.97 11.35 14.10 102.76 17.76 -81.36 29.32 86.87 1.42 11.71 27.98 22.71 36.89 4.60 6.32 0.00 0.67 0.82 47 G C C 51.50 3.36 10.79 15.77 107.41 -86.35 81.45 16.10 91.15 1.61 7.24 40.03 28.23 23.33 2.48 4.30 0.00 0.74 0.89 48 I C C 96.38 5.31 9.65 16.82 115.81 133.37 -90.17 134.62 87.37 3.81 8.82 62.91 21.07 3.12 6.96 2.13 0.00 1.63 2.18 49 P C C 85.62 3.98 11.00 16.66 110.95 -113.12 -69.42 146.56 75.91 3.70 20.39 64.32 5.36 6.13 14.91 5.50 0.00 2.17 1.60 50 A C C 76.26 4.07 9.71 15.44 107.68 -114.82 -77.27 124.73 63.34 3.00 33.66 45.56 8.82 8.84 23.10 10.74 0.01 1.79 1.14 51 A C C 73.84 3.97 9.34 15.00 109.60 -129.48 -84.55 125.08 55.69 3.58 40.73 38.37 9.25 8.21 28.58 12.19 0.02 2.28 1.09 52 K C C 148.39 2.34 9.85 13.73 109.14 -136.41 -88.30 107.20 56.36 4.77 38.87 42.61 6.97 6.92 28.48 10.45 0.02 3.28 1.28 53 V C C 105.40 3.48 7.86 13.19 111.49 -135.80 -93.76 116.33 55.21 5.69 39.10 41.82 7.24 6.66 31.26 7.54 0.02 3.94 1.51 54 Q C C 134.74 2.03 8.91 12.52 112.99 -146.58 -95.30 126.89 59.98 6.40 33.62 43.90 8.33 7.75 26.92 6.89 0.02 4.61 1.57 55 Q C C 137.51 2.00 8.51 12.23 114.01 -137.79 -90.35 129.42 66.52 8.04 25.43 47.82 9.23 8.73 20.36 5.96 0.02 5.84 2.03 56 V C C 112.49 2.58 7.48 12.06 113.71 -157.54 -99.70 126.56 73.94 8.83 17.24 52.01 13.51 7.60 14.54 3.76 0.02 5.80 2.77 57 T C C 102.46 1.96 8.31 11.98 117.80 -148.33 -99.08 135.39 85.52 7.45 7.03 63.07 18.43 4.02 4.66 2.58 0.00 5.55 1.69 58 P C C 108.74 2.05 8.50 12.30 112.90 -110.63 -70.07 143.55 84.53 8.27 7.20 70.07 8.34 6.02 3.86 3.19 0.00 6.65 1.88 59 V C C 120.58 1.78 7.15 10.69 113.65 -130.28 -90.85 131.67 85.12 9.73 5.14 65.92 13.97 4.85 2.69 2.49 0.00 5.89 4.19 60 V C C 116.93 1.69 6.68 10.21 117.15 -132.86 -92.97 134.95 93.91 4.70 1.39 74.80 17.65 1.65 0.78 0.60 0.00 3.04 1.48 61 P C C 107.29 1.83 6.74 10.43 113.33 -107.93 -66.20 146.60 95.41 2.25 2.34 84.46 6.40 4.78 0.97 1.09 0.00 1.48 0.82 62 Q C C 151.70 1.01 7.18 9.47 110.92 -108.94 -77.75 134.76 97.67 1.09 1.24 94.85 0.77 2.55 0.47 0.37 0.00 0.54 0.45 63 R C C 181.89 1.70 8.99 12.23 109.28 -115.49 -83.59 120.98 99.90 0.07 0.03 99.73 0.12 0.09 0.01 0.00 0.00 0.03 0.01