# 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 137.49 2.44 9.73 13.66 112.89 -168.37 -95.41 130.04 99.93 0.06 0.01 99.88 0.07 0.02 0.00 0.00 0.00 0.03 0.00 1 L C C 128.30 2.14 7.23 11.29 115.43 -154.66 -92.14 133.34 90.81 8.49 0.70 90.12 0.86 0.76 0.28 0.24 0.00 5.48 2.27 2 K C C 152.86 1.73 7.54 11.10 116.01 -139.28 -92.26 136.47 84.77 14.25 0.98 75.75 6.52 1.94 0.34 0.66 0.00 10.98 3.82 3 R C C 180.06 1.67 8.23 11.64 115.21 -139.32 -93.31 135.12 86.15 13.09 0.76 71.89 12.13 1.90 0.25 0.59 0.00 9.30 3.95 4 F C C 129.42 4.24 6.82 13.03 116.45 -133.49 -93.60 133.07 90.79 8.86 0.34 75.93 14.00 1.06 0.13 0.23 0.00 5.97 2.67 5 P C C 111.94 1.57 10.26 12.86 99.94 -140.41 -72.55 -9.44 96.50 2.82 0.68 52.81 39.34 4.70 0.23 0.40 0.00 1.82 0.69 6 T C C 77.42 3.61 8.54 14.13 124.75 66.08 -117.27 150.06 92.95 3.08 3.98 45.45 42.47 5.32 2.43 1.34 0.00 1.24 1.75 7 P C C 91.56 2.76 10.77 14.90 109.11 -100.30 -68.43 139.85 84.06 2.87 13.07 46.91 19.06 18.30 7.37 5.36 0.01 1.32 1.66 8 I C C 105.37 3.93 9.00 14.62 104.01 -129.74 -81.68 -12.07 71.44 3.75 24.81 28.77 20.86 23.19 15.80 7.32 0.09 1.42 2.55 9 L H H 109.51 2.65 10.21 14.16 95.19 63.01 -68.33 -32.31 36.58 1.72 61.70 16.74 8.32 12.22 39.70 21.21 0.13 0.92 0.76 10 K H G 138.86 1.89 11.88 14.43 93.81 59.16 -67.51 -35.60 11.15 0.16 88.69 1.77 1.29 7.14 41.18 48.47 0.01 0.10 0.04 11 V H G 87.75 3.38 11.37 16.03 94.31 49.35 -73.52 -28.26 12.69 0.08 87.23 1.08 1.02 9.34 38.72 49.75 0.01 0.05 0.03 12 Y H G 114.09 5.33 11.11 18.14 97.37 48.16 -89.87 -10.17 16.97 0.08 82.95 1.44 1.40 12.51 41.56 42.99 0.01 0.04 0.04 13 W H H 132.49 3.77 12.39 17.86 92.77 82.72 -61.18 -42.70 2.46 0.00 97.53 0.58 0.28 1.30 96.63 1.20 0.00 0.00 0.00 14 P H H 78.55 2.71 14.08 17.51 91.86 50.26 -65.12 -39.01 1.42 0.00 98.58 0.15 0.08 1.05 97.18 1.53 0.00 0.00 0.00 15 F H H 116.74 3.43 13.98 18.49 92.90 49.99 -66.62 -39.98 0.48 0.00 99.52 0.05 0.03 0.36 98.18 1.39 0.00 0.00 0.00 16 F H H 117.95 2.88 15.11 18.57 92.77 49.44 -65.86 -41.17 0.31 0.00 99.69 0.04 0.02 0.21 99.50 0.23 0.00 0.00 0.00 17 V H H 84.72 2.18 16.28 18.25 92.29 48.64 -64.97 -42.01 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 18 A H H 51.56 3.58 15.27 19.94 92.00 50.21 -64.52 -41.46 0.25 0.00 99.75 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 19 G H H 32.71 4.02 15.72 20.92 92.12 51.35 -63.94 -41.35 0.29 0.00 99.71 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 20 A H H 58.79 2.54 17.09 19.52 91.90 50.45 -64.74 -41.55 0.25 0.00 99.75 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 21 A H H 59.16 2.68 16.78 19.57 92.08 50.25 -64.85 -41.72 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 22 V H H 75.81 3.78 16.03 20.60 92.10 49.89 -64.44 -42.01 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 23 Y H H 128.82 2.61 16.81 19.57 91.88 49.77 -64.06 -41.85 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 24 Y H H 130.07 2.17 16.93 18.78 92.10 49.46 -64.79 -41.43 0.21 0.00 99.79 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 25 G H H 34.85 3.36 15.99 20.01 92.21 50.00 -64.61 -41.74 0.42 0.00 99.57 0.04 0.02 0.30 99.58 0.06 0.00 0.00 0.00 26 M H H 97.75 2.99 16.52 19.84 92.13 49.11 -64.82 -41.47 0.53 0.00 99.47 0.05 0.03 0.37 99.48 0.07 0.00 0.00 0.00 27 S H H 56.86 3.08 16.07 19.70 92.13 50.14 -64.75 -40.86 0.93 0.00 99.07 0.14 0.06 0.60 99.10 0.10 0.00 0.00 0.00 28 K H H 117.28 2.31 17.18 19.31 92.16 49.93 -65.18 -41.16 1.09 0.00 98.91 0.14 0.07 0.75 98.87 0.16 0.00 0.00 0.00 29 A H H 57.82 3.04 16.76 19.99 92.16 49.83 -64.94 -40.70 1.01 0.00 98.99 0.18 0.08 0.62 98.89 0.22 0.00 0.00 0.00 30 A H H 50.29 4.28 15.23 20.90 91.98 51.11 -64.04 -40.87 1.46 0.00 98.54 0.25 0.11 0.90 98.42 0.32 0.00 0.00 0.00 31 D H H 82.72 2.98 16.54 19.93 92.20 50.15 -65.20 -40.25 2.84 0.01 97.15 0.46 0.24 1.90 96.71 0.68 0.01 0.00 0.00 32 L H H 92.35 2.29 16.86 18.94 92.10 50.95 -65.03 -40.36 4.03 0.02 95.95 0.51 0.35 2.91 94.51 1.68 0.02 0.01 0.01 33 S H H 54.28 4.47 14.81 20.62 92.13 51.13 -67.31 -34.33 7.93 0.03 92.05 0.77 0.60 6.24 88.80 3.55 0.02 0.01 0.02 34 S H H 56.39 6.52 12.51 20.65 91.94 59.70 -70.61 -21.86 32.93 0.08 66.99 1.64 1.68 29.32 63.36 3.87 0.03 0.04 0.06 35 N C T 114.32 2.19 14.52 17.25 96.08 52.50 -93.61 0.46 72.39 0.14 27.47 4.36 4.26 63.03 24.66 3.51 0.01 0.05 0.13 36 T C S 57.96 5.05 9.95 17.29 120.02 105.89 -82.64 153.48 97.04 0.55 2.41 26.71 68.80 1.16 2.42 0.26 0.00 0.10 0.56 37 K H H 161.42 1.13 12.81 14.15 92.24 -117.91 -60.01 -35.66 15.77 0.07 84.16 1.25 2.19 12.13 75.25 9.03 0.08 0.03 0.05 38 E H H 128.51 1.51 13.93 15.30 91.71 54.66 -65.67 -35.59 10.63 0.03 89.34 0.57 0.79 8.89 78.71 10.98 0.04 0.01 0.02 39 F H H 50.11 10.81 9.80 21.91 93.11 48.70 -71.14 -33.29 4.21 0.01 95.77 0.33 0.30 3.23 82.30 13.82 0.01 0.01 0.00 40 I H H 82.95 7.56 11.72 20.76 91.67 57.91 -67.02 -30.35 9.53 0.02 90.45 0.46 0.57 8.18 79.67 11.07 0.03 0.01 0.01 41 N H H 127.14 0.91 15.52 14.95 95.97 48.22 -93.76 0.78 45.06 0.11 54.83 1.26 3.06 40.57 45.85 8.97 0.10 0.04 0.14 42 D C C 50.87 8.40 7.64 17.97 111.66 115.05 -77.26 124.32 99.64 0.31 0.05 78.29 21.08 0.19 0.03 0.02 0.00 0.06 0.33 43 P C T 114.24 1.41 11.63 14.01 91.74 -144.56 -63.44 -23.70 99.42 0.02 0.56 0.36 2.13 97.05 0.03 0.41 0.00 0.01 0.01 44 R C T 171.47 1.51 12.51 14.43 94.40 58.43 -82.51 -8.77 99.25 0.04 0.72 0.50 2.33 96.57 0.06 0.51 0.00 0.02 0.02 45 N C C 44.03 10.60 7.97 19.69 106.70 77.17 -102.42 92.14 96.99 1.15 1.85 65.48 30.45 1.04 0.96 0.70 0.00 0.28 1.08 46 P C T 84.04 2.57 13.69 17.36 93.48 175.59 -64.17 -31.24 53.02 0.28 46.70 7.44 4.43 40.31 21.28 26.17 0.01 0.13 0.22 47 R H T 124.56 3.58 12.92 17.77 93.59 58.52 -69.51 -26.76 45.82 0.43 53.76 3.89 4.27 35.24 27.45 28.50 0.10 0.22 0.34 48 F H G 85.74 7.99 10.03 19.50 93.59 59.76 -66.35 -35.16 34.19 0.95 64.86 7.81 6.01 18.78 32.89 33.45 0.07 0.52 0.48 49 A H H 74.36 2.99 11.98 16.26 94.33 56.46 -68.61 -27.99 38.26 1.46 60.28 10.78 8.02 18.95 33.32 27.26 0.14 0.74 0.77 50 K C T 155.29 1.27 12.66 13.95 98.90 55.06 -81.57 -2.00 62.43 1.13 36.44 7.63 10.92 42.82 21.24 15.78 0.14 0.56 0.91 51 G C T 54.31 2.61 12.44 16.10 101.75 -57.29 82.64 7.42 77.63 0.72 21.64 13.24 13.35 51.16 12.68 8.67 0.02 0.34 0.53 52 G C C 37.99 8.03 8.99 18.16 108.16 139.10 -73.75 111.78 86.71 2.29 11.00 56.52 17.88 12.36 3.89 7.02 0.00 1.17 1.16 53 K C C 146.12 2.34 12.33 15.91 115.95 98.62 -100.52 135.25 83.65 6.10 10.25 63.40 13.65 6.72 3.89 6.41 0.00 3.95 1.98 54 F C C 137.11 4.70 9.39 15.99 113.18 -125.44 -86.54 131.11 78.67 10.79 10.55 69.55 5.97 3.41 4.52 5.77 0.00 7.67 3.11 55 V C C 100.17 3.73 8.44 14.12 116.74 -151.47 -100.74 132.11 77.80 8.96 13.24 64.29 8.34 5.58 4.84 8.03 0.00 7.15 1.77 56 E C C 145.22 1.98 8.59 12.30 110.55 -133.69 -89.11 119.59 77.94 9.34 12.72 62.90 8.01 7.20 4.23 8.16 0.00 7.56 1.93 57 V C C 108.60 3.06 6.62 11.62 111.71 -162.33 -98.73 116.43 88.44 4.77 6.78 82.83 1.91 4.85 2.45 3.25 0.00 3.48 1.23 58 D C C 123.01 1.26 10.55 12.56 107.11 -136.06 -87.15 99.71 99.92 0.06 0.03 99.77 0.10 0.08 0.01 0.00 0.00 0.03 0.01