# 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 109.31 6.71 18.45 25.57 108.96 82.88 -88.67 100.25 99.93 0.07 0.00 99.87 0.09 0.01 0.00 0.00 0.00 0.03 0.01 1 V C C 36.27 18.34 9.82 27.42 119.27 -144.59 -97.13 136.33 84.61 15.32 0.07 85.17 0.39 0.04 0.04 0.01 0.00 2.40 11.95 2 Q C C 118.90 2.25 19.49 21.65 123.31 -148.49 -104.18 148.51 98.13 1.80 0.07 97.98 0.52 0.09 0.02 0.02 0.00 0.63 0.74 3 R C T 147.71 6.85 12.58 21.12 110.55 -90.03 -60.28 135.45 99.34 0.53 0.14 0.26 1.70 97.61 0.01 0.09 0.00 0.27 0.07 4 G C T 47.59 3.24 17.33 21.26 96.87 24.13 89.43 -6.43 99.71 0.24 0.05 0.29 1.78 97.71 0.00 0.05 0.00 0.16 0.01 5 S C C 31.24 10.85 13.40 26.17 118.85 133.14 -71.94 148.79 94.06 5.91 0.03 93.18 0.94 0.06 0.00 0.02 0.00 5.60 0.20 6 K E E 111.39 6.43 20.58 27.86 118.30 -128.32 -98.28 133.81 4.56 95.20 0.25 4.37 0.24 0.07 0.14 0.08 0.00 93.87 1.24 7 V E E 15.35 21.67 13.90 35.68 130.11 -173.13 -127.59 149.03 4.49 94.93 0.58 4.11 0.29 0.14 0.30 0.19 0.00 94.84 0.13 8 R E E 100.68 7.54 23.26 31.39 117.95 -135.84 -105.02 131.92 4.74 94.58 0.68 4.09 0.45 0.23 0.28 0.29 0.00 94.52 0.13 9 I E E 27.15 19.37 14.47 34.11 111.52 -136.63 -88.47 121.83 8.95 90.89 0.16 8.11 0.61 0.15 0.03 0.10 0.00 90.54 0.45 10 L C C 73.35 8.00 18.99 27.86 100.19 -174.61 -86.64 -25.27 61.90 37.85 0.25 45.43 14.60 0.87 0.03 0.25 0.00 38.21 0.62 11 R C C 90.35 8.71 14.95 24.85 116.17 42.68 -119.96 114.09 84.08 14.57 1.34 52.69 28.93 3.24 0.33 1.03 0.01 12.01 1.76 12 P C T 83.16 7.45 13.70 22.64 93.95 -152.35 -65.15 -26.13 88.51 4.66 6.83 26.66 19.88 42.07 0.79 6.41 0.01 3.18 1.01 13 E C T 133.59 2.67 16.37 19.32 94.97 61.28 -84.93 -8.02 88.04 3.52 8.43 18.72 23.95 45.28 0.96 7.76 0.01 2.04 1.28 14 S C C 26.23 13.70 10.37 24.85 115.80 101.77 -87.89 135.10 82.42 6.79 10.79 39.03 30.48 13.29 2.09 8.11 0.02 2.83 4.15 15 Y C T 130.79 6.29 16.66 24.35 94.15 -140.81 -69.67 -19.54 77.31 3.54 19.15 10.88 20.60 46.69 3.69 14.20 0.07 2.01 1.85 16 W C T 84.93 13.01 15.35 28.74 95.54 64.01 -82.67 -12.92 75.08 7.73 17.19 10.30 19.32 46.31 3.32 12.74 0.12 5.21 2.67 17 F C C 66.93 13.08 14.11 27.67 105.67 74.54 -87.77 67.01 59.95 21.76 18.29 33.44 14.24 14.05 4.45 12.98 0.14 14.63 6.08 18 Q C C 113.38 5.48 18.74 24.81 99.67 -119.86 -89.19 13.06 71.55 22.35 6.10 39.15 22.16 11.31 2.13 3.71 0.02 19.34 2.19 19 D C E 66.25 7.77 18.09 26.86 126.16 100.01 -107.49 151.12 49.67 46.16 4.17 25.19 17.54 8.69 1.41 2.57 0.04 42.94 1.63 20 V E E 70.77 11.69 17.20 29.24 120.46 -125.47 -100.60 137.78 25.39 73.22 1.39 21.31 2.85 1.03 0.79 0.57 0.00 72.37 1.08 21 G E E 13.97 13.35 18.12 32.22 139.99 164.83 -151.52 176.84 9.23 90.12 0.65 7.02 1.62 0.61 0.35 0.24 0.00 89.69 0.46 22 T E E 58.77 8.87 22.65 32.01 123.61 -93.68 -108.56 141.85 5.34 93.90 0.75 4.21 0.62 0.22 0.53 0.19 0.00 93.94 0.29 23 V E E 27.47 20.10 15.74 35.27 104.60 -151.68 -87.91 -4.76 7.07 89.59 3.34 5.05 1.26 0.70 1.93 1.01 0.00 89.76 0.28 24 A E E 35.29 11.18 19.41 31.18 128.44 -0.50 -129.15 148.28 8.54 86.52 4.94 5.93 1.81 1.12 2.44 1.64 0.00 86.73 0.34 25 S E E 43.79 9.31 19.20 29.41 126.71 -149.49 -122.06 144.94 10.48 85.18 4.34 7.93 1.63 1.03 2.17 1.54 0.00 85.27 0.43 26 I E E 67.72 12.02 13.39 26.15 119.36 -149.09 -109.04 133.10 20.13 76.48 3.39 16.26 3.38 1.53 2.10 1.38 0.01 73.56 1.79 27 E C E 101.40 5.88 11.92 19.51 114.84 -149.36 -98.07 127.94 50.60 47.01 2.39 41.63 5.86 2.40 1.00 1.32 0.00 45.92 1.88 28 Q C T 135.52 2.73 10.80 15.19 108.48 -156.35 -90.73 100.67 71.72 23.75 4.52 26.99 19.37 27.19 0.93 3.28 0.02 19.96 2.27 29 G C T 59.92 1.37 11.19 13.04 104.81 6.74 70.27 12.72 91.72 4.95 3.33 18.04 26.99 46.85 0.41 3.03 0.00 3.69 0.99 30 G C S 50.96 2.90 9.44 13.90 117.18 -21.88 84.77 -15.91 95.98 1.90 2.11 21.78 38.69 35.33 0.18 2.30 0.00 1.22 0.51 31 T C S 117.35 1.06 10.87 12.09 100.26 -57.74 -83.75 -15.93 87.86 10.28 1.86 33.23 37.83 17.27 0.26 1.85 0.00 6.99 2.57 32 S C C 70.14 4.10 9.87 15.53 114.43 62.34 -98.26 133.19 77.03 21.14 1.83 38.78 27.46 11.74 0.30 1.84 0.00 17.01 2.88 33 R C C 143.64 5.17 11.75 18.71 113.04 -163.49 -95.27 129.17 67.55 31.13 1.33 38.78 23.00 7.35 0.28 1.32 0.01 24.46 4.82 34 Y C C 103.84 8.35 12.85 22.57 118.67 -145.83 -108.22 129.69 69.39 30.31 0.29 46.89 21.54 1.31 0.07 0.27 0.00 27.63 2.30 35 P C C 67.50 7.85 16.52 25.36 110.17 -128.13 -72.05 139.28 65.74 34.08 0.19 49.07 14.33 1.05 0.03 0.18 0.00 34.56 0.78 36 V E E 37.90 15.01 14.22 29.69 124.98 -147.80 -122.09 137.40 13.14 86.71 0.15 10.81 2.28 0.33 0.05 0.10 0.00 85.55 0.88 37 I E E 74.28 8.56 19.85 29.40 117.57 -147.31 -106.67 126.45 5.55 94.38 0.07 4.83 0.70 0.10 0.02 0.04 0.00 93.86 0.45 38 V E E 25.88 17.99 15.36 33.74 120.74 -166.08 -112.97 129.73 8.74 91.15 0.11 7.87 0.78 0.12 0.03 0.05 0.00 90.76 0.40 39 R E E 110.55 6.82 20.93 28.54 118.31 -161.57 -110.30 131.14 23.12 76.70 0.17 20.86 1.62 0.22 0.05 0.10 0.00 76.30 0.86 40 F C C 39.83 17.59 10.95 28.34 116.80 -150.07 -96.80 131.45 62.50 36.23 1.27 57.87 2.84 0.92 0.36 0.81 0.00 35.06 2.14 41 D C S 100.43 3.24 17.32 21.18 98.68 -163.22 -85.20 -23.29 82.24 15.95 1.81 27.14 38.92 16.71 0.24 1.62 0.00 14.12 1.25 42 K C S 133.33 2.73 16.64 19.78 124.31 18.88 -124.76 136.44 79.48 18.45 2.08 24.34 38.09 18.12 0.28 1.88 0.01 15.16 2.13 43 V C C 68.19 12.71 9.35 21.93 116.42 -144.27 -102.34 130.27 73.10 24.46 2.44 52.92 14.91 4.95 0.72 1.96 0.01 19.56 4.96 44 N C C 108.75 3.01 13.41 17.61 110.69 -152.08 -107.42 95.46 77.18 21.07 1.74 59.06 11.61 5.67 0.46 1.49 0.00 17.78 3.93 45 Y C C 120.26 7.30 9.02 17.74 113.50 134.54 -113.90 110.91 66.73 28.94 4.33 42.37 15.04 9.06 1.39 3.20 0.05 19.08 9.81 46 A C T 90.45 1.91 11.15 14.36 110.32 -105.78 -73.55 125.28 82.34 13.23 4.43 14.92 15.86 52.02 1.11 3.20 0.03 9.94 2.91 47 G C T 62.65 1.28 13.09 14.37 99.00 7.95 81.30 1.81 88.15 8.78 3.07 14.04 22.34 51.98 0.46 2.55 0.01 7.38 1.23 48 V C C 72.67 8.00 9.11 18.59 119.04 121.59 -96.13 137.64 60.79 36.93 2.28 42.91 12.68 4.01 1.02 1.62 0.03 23.98 13.75 49 N C C 94.34 4.90 13.99 20.23 113.59 -137.40 -91.75 121.76 69.22 27.67 3.12 55.19 8.11 4.29 1.28 2.06 0.01 21.76 7.31 50 T C C 67.97 10.83 11.98 23.34 101.72 -163.74 -88.47 0.77 75.19 13.07 11.74 42.88 15.20 17.96 3.06 8.58 0.03 8.66 3.63 51 N C T 97.99 5.89 15.23 22.16 101.90 84.41 -83.12 -0.14 78.53 6.98 14.49 23.32 23.19 33.36 3.28 10.28 0.06 4.11 2.40 52 N C C 93.64 6.09 16.43 23.35 101.91 59.61 -97.44 25.58 78.55 7.43 14.02 31.70 20.84 27.54 2.94 10.28 0.04 4.18 2.48 53 F C C 56.25 15.66 11.25 26.88 120.51 120.11 -100.27 138.34 79.21 16.20 4.59 63.69 10.09 3.66 2.09 2.81 0.01 7.42 10.24 54 A C C 41.70 6.59 18.83 26.42 126.10 -150.12 -110.96 158.47 88.66 6.89 4.44 83.39 4.78 1.04 1.65 2.62 0.00 3.95 2.56 55 Q H G 98.98 10.99 13.63 25.17 92.25 -111.75 -61.13 -29.33 9.17 0.66 90.17 1.24 1.25 5.59 0.77 90.56 0.00 0.57 0.02 56 D H G 112.59 2.11 18.38 20.45 91.39 62.32 -74.74 -10.75 9.05 0.88 90.07 0.96 1.16 5.88 0.59 90.56 0.00 0.83 0.02 57 E H G 59.44 12.13 14.44 27.51 95.15 64.98 -89.21 -4.78 10.34 1.27 88.39 2.73 1.85 4.45 0.68 89.01 0.00 1.27 0.02 58 L E E 38.93 18.83 11.09 29.34 122.91 89.59 -103.13 139.35 21.13 78.54 0.33 18.67 2.72 0.19 0.09 0.19 0.00 77.11 1.02 59 V E E 74.99 6.13 19.19 26.33 122.60 -163.51 -117.30 136.12 5.80 94.17 0.04 5.61 0.17 0.02 0.01 0.01 0.00 93.97 0.20 60 E E E 112.68 7.95 15.20 24.54 113.84 -122.57 -81.70 131.05 5.15 94.79 0.07 5.01 0.18 0.03 0.02 0.03 0.00 94.17 0.56 61 V E E 60.41 10.94 10.49 22.32 121.23 -163.81 -108.88 145.12 48.63 50.81 0.56 43.24 3.42 0.54 0.19 0.31 0.00 51.52 0.78 62 E C C 149.16 1.48 15.05 16.70 114.39 -114.77 -90.74 136.00 69.94 28.98 1.08 55.47 12.89 1.26 0.45 0.62 0.00 27.56 1.75 63 A C C 61.75 8.04 8.90 18.20 117.13 -110.76 -74.66 144.73 91.35 5.98 2.68 79.97 10.14 1.53 1.55 0.99 0.00 4.82 0.99 64 P C C 78.71 5.47 9.91 17.22 112.95 -105.24 -66.17 149.85 87.88 2.70 9.43 78.59 5.50 4.25 5.99 3.01 0.00 1.75 0.91 65 K C C 161.61 1.41 10.72 12.99 111.16 -108.19 -80.88 134.98 79.31 3.03 17.66 62.38 10.52 6.41 11.64 5.98 0.00 1.69 1.38 66 A C C 76.57 3.81 7.96 13.56 112.58 -111.99 -75.63 144.64 71.92 3.56 24.53 54.19 10.82 7.03 15.42 9.03 0.00 2.11 1.40 67 K C C 150.69 2.15 8.69 12.41 109.78 -116.25 -82.64 135.53 68.46 3.39 28.15 50.92 10.18 7.40 16.72 11.50 0.01 1.99 1.27 68 A C C 81.40 2.65 7.66 12.14 112.23 -107.60 -79.50 138.71 68.59 3.55 27.85 49.06 11.33 8.33 14.82 13.06 0.01 2.15 1.24 69 K C C 157.09 1.79 7.98 11.34 111.04 -110.24 -83.33 132.43 72.94 4.92 22.14 53.04 10.85 9.27 11.82 10.13 0.01 3.00 1.89 70 K C C 158.33 1.70 7.80 11.15 112.39 -114.93 -84.60 132.90 84.41 3.59 12.00 76.47 1.95 6.90 7.69 3.37 0.00 1.96 1.66 71 A C C 85.44 2.68 9.28 13.73 109.21 -126.47 -80.50 132.95 99.91 0.05 0.04 99.79 0.08 0.08 0.02 0.00 0.00 0.02 0.01