# 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 97.92 9.25 9.73 19.93 115.52 -134.92 -86.17 139.57 99.89 0.10 0.01 99.84 0.08 0.02 0.00 0.00 0.00 0.04 0.02 1 K C C 139.58 2.60 10.63 14.83 115.00 -127.10 -85.20 136.95 96.14 2.24 1.62 94.79 0.73 1.18 0.65 0.44 0.00 0.75 1.46 2 T C T 114.55 1.59 9.50 12.66 111.44 -103.07 -69.85 136.49 89.39 2.64 7.97 15.98 13.07 59.93 1.43 6.66 0.00 1.39 1.52 3 G C T 61.88 1.16 11.62 13.06 98.17 18.26 82.78 -2.68 92.44 1.08 6.48 11.33 15.51 65.08 0.75 6.20 0.00 0.66 0.46 4 I C C 95.12 5.59 9.85 17.12 100.11 94.04 -84.56 -20.26 84.06 7.74 8.20 37.03 29.51 17.59 1.52 6.52 0.02 3.24 4.57 5 H C C 91.84 8.23 9.47 19.10 118.13 54.81 -109.77 130.00 92.13 6.47 1.40 60.89 28.46 2.87 0.36 1.12 0.00 3.63 2.66 6 P C T 76.87 5.57 12.65 19.85 113.39 -115.39 -69.02 151.40 92.95 3.14 3.91 36.06 15.95 40.25 0.28 4.61 0.00 2.37 0.48 7 E C T 128.05 3.49 15.24 19.72 110.84 -98.31 -79.85 125.39 82.61 12.51 4.88 26.31 16.98 38.76 0.29 5.38 0.00 11.65 0.63 8 Y E E 103.71 11.98 10.74 22.99 124.20 -129.41 -111.07 139.88 37.05 62.21 0.74 31.00 5.76 0.89 0.13 0.71 0.00 59.87 1.63 9 V E E 64.08 7.49 15.32 24.51 126.16 -168.08 -122.00 141.40 11.41 88.55 0.03 10.18 0.84 0.06 0.01 0.02 0.00 88.52 0.36 10 D E E 98.77 5.02 16.40 23.19 114.52 -122.65 -82.86 132.63 7.81 92.18 0.01 7.08 0.36 0.03 0.00 0.01 0.00 92.44 0.08 11 T E E 30.10 13.84 12.45 27.30 133.92 173.22 -139.90 157.11 3.97 96.03 0.00 3.60 0.14 0.01 0.00 0.00 0.00 96.22 0.04 12 T E E 69.96 5.92 20.05 26.97 118.36 -129.42 -107.29 130.87 0.57 99.43 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 13 V E E 19.10 18.73 13.32 32.44 122.37 -167.87 -116.42 135.47 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 14 Q E E 87.71 5.40 20.41 26.65 114.36 -148.58 -104.52 121.26 0.60 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.38 0.05 15 C C C 21.90 16.96 10.55 27.30 122.26 -161.64 -91.43 163.60 52.44 47.49 0.07 50.59 1.11 0.13 0.01 0.05 0.00 47.28 0.83 16 G C T 50.33 4.19 15.10 20.41 93.00 -101.43 -63.82 -23.10 97.90 0.99 1.11 0.89 9.95 87.07 0.03 1.18 0.00 0.73 0.14 17 C C T 79.43 4.38 13.52 19.17 93.42 56.69 -89.05 1.66 98.75 0.27 0.98 0.48 8.94 89.31 0.02 1.03 0.00 0.16 0.06 18 G C S 53.87 2.06 15.20 17.64 96.79 -100.54 87.19 4.87 97.69 1.44 0.87 13.29 81.68 2.96 0.07 0.68 0.00 0.87 0.43 19 H C C 85.44 7.44 12.13 21.50 118.42 133.94 -81.89 143.21 93.64 6.32 0.04 92.60 1.24 0.16 0.01 0.03 0.00 5.59 0.39 20 S E E 64.05 7.64 13.90 23.72 127.51 -163.33 -127.71 143.93 1.63 98.36 0.00 1.50 0.08 0.00 0.00 0.00 0.00 98.27 0.14 21 F E E 64.51 12.11 14.25 27.61 131.43 -173.72 -135.44 148.70 0.17 99.83 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 22 T E E 77.66 6.57 18.27 26.21 120.11 -139.54 -109.40 134.56 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 23 T E E 32.22 15.76 13.61 29.73 130.70 -176.84 -131.64 150.76 1.52 98.48 0.00 1.33 0.07 0.00 0.00 0.00 0.00 98.58 0.02 24 R E E 127.52 5.85 20.59 27.45 121.56 -149.00 -111.72 136.01 5.34 94.65 0.01 4.80 0.27 0.02 0.00 0.00 0.00 94.80 0.09 25 S E E 21.11 15.83 12.84 29.02 131.24 -152.46 -125.16 157.28 14.42 85.51 0.07 13.47 0.64 0.08 0.02 0.04 0.00 84.53 1.22 26 T E E 55.90 6.53 16.98 24.85 113.50 -124.32 -88.98 143.54 45.25 54.07 0.68 35.35 9.21 1.47 0.26 0.52 0.00 48.04 5.15 27 K C T 115.49 7.28 12.29 20.91 96.82 -102.01 -66.81 -29.08 86.24 5.85 7.91 6.94 23.42 56.73 0.91 6.28 0.02 4.28 1.41 28 Q C T 151.99 0.93 14.65 14.75 95.65 47.98 -72.47 -20.14 91.08 1.38 7.54 6.54 16.13 68.36 0.91 6.62 0.00 0.89 0.56 29 S C T 78.64 2.68 13.16 16.54 103.10 29.96 -101.83 -5.25 90.36 2.32 7.32 15.94 18.03 56.38 0.91 6.54 0.00 1.50 0.69 30 G C C 34.58 7.48 12.69 21.49 110.13 -132.73 78.62 -8.94 89.97 8.90 1.13 56.38 20.17 13.25 0.17 1.10 0.00 8.01 0.92 31 T C E 81.86 5.01 16.27 22.69 123.05 53.03 -114.00 139.34 50.28 49.53 0.19 45.13 3.79 0.46 0.04 0.15 0.00 49.12 1.31 32 I E E 49.33 15.84 11.87 27.91 121.56 -162.02 -116.60 131.16 9.27 90.71 0.02 8.82 0.39 0.03 0.01 0.01 0.00 90.31 0.44 33 V E E 87.28 4.89 20.00 25.90 117.51 -160.08 -110.38 127.08 2.16 97.82 0.01 2.19 0.06 0.00 0.01 0.00 0.00 97.50 0.24 34 V E E 39.68 16.90 11.67 28.47 121.33 -166.83 -115.91 130.16 10.92 89.01 0.07 10.77 0.32 0.04 0.03 0.03 0.00 88.43 0.38 35 E E E 114.65 4.25 19.56 24.27 109.33 -158.24 -95.47 99.42 46.21 53.56 0.24 29.77 15.80 0.74 0.05 0.17 0.00 52.91 0.55 36 V C C 56.03 11.45 14.29 26.62 124.37 35.98 -118.14 141.90 55.33 44.28 0.39 43.70 11.11 0.54 0.17 0.29 0.00 38.07 6.12 37 C C C 37.49 9.42 15.21 26.34 120.99 -142.54 -103.35 150.23 90.50 9.26 0.25 89.53 1.54 0.21 0.08 0.13 0.00 6.26 2.24 38 S C T 62.26 7.58 14.25 23.27 91.96 -117.83 -63.37 -27.80 63.08 0.62 36.30 2.44 5.16 53.02 1.54 37.24 0.00 0.35 0.24 39 Q C T 127.85 2.57 16.89 20.03 91.60 63.06 -71.54 -22.88 67.48 0.20 32.32 0.65 3.05 62.89 1.14 32.08 0.00 0.11 0.07 40 C C T 54.33 8.80 13.40 23.63 99.82 42.66 -101.95 -4.40 64.49 0.69 34.82 2.84 6.95 52.39 1.72 35.40 0.00 0.36 0.33 41 H C C 52.31 11.96 10.31 23.47 115.16 107.19 -81.79 130.75 97.23 1.48 1.28 69.90 26.22 0.62 0.98 0.29 0.00 0.32 1.67 42 P H G 80.25 4.33 14.63 20.48 93.24 -140.01 -62.69 -27.26 41.23 0.21 58.56 2.01 2.81 34.93 19.78 40.19 0.02 0.11 0.16 43 F H G 114.36 5.45 12.96 19.77 93.23 59.82 -71.68 -23.30 39.40 0.44 60.16 1.75 2.99 33.01 21.60 39.95 0.08 0.25 0.37 44 Y H G 108.07 7.81 10.55 19.66 99.20 53.19 -86.07 -7.57 35.00 2.68 62.32 5.77 6.09 21.86 22.44 40.57 0.44 1.52 1.31 45 T C T 84.18 3.48 11.44 16.17 100.80 57.10 -90.26 -4.98 58.75 5.54 35.70 12.29 13.95 32.57 20.21 14.16 0.69 2.67 3.46 46 G C T 55.88 2.58 10.70 14.76 99.16 -107.57 76.23 2.86 87.32 1.69 10.99 18.46 22.92 46.59 4.62 5.62 0.01 0.86 0.91 47 K C C 158.57 1.17 11.28 12.68 101.87 96.47 -91.28 -4.68 89.25 2.71 8.05 37.13 29.81 22.48 2.88 5.10 0.00 1.47 1.11 48 Q C C 119.60 4.13 8.99 15.11 114.16 90.56 -94.40 130.18 86.13 7.78 6.09 58.83 20.02 7.26 2.27 4.02 0.00 5.73 1.87 49 K C C 147.28 2.46 10.81 15.14 118.46 -159.17 -106.59 136.36 80.61 15.57 3.82 70.38 7.52 2.36 1.97 1.97 0.00 12.87 2.92 50 I C C 106.01 6.10 9.16 17.04 115.05 -140.53 -93.97 128.68 70.02 26.73 3.26 61.58 5.68 1.65 2.15 1.36 0.00 19.50 8.08 51 L C C 113.43 3.70 10.41 15.88 110.29 -153.75 -93.21 120.72 77.86 18.00 4.14 61.34 12.10 3.84 2.37 2.00 0.00 14.23 4.11 52 D C C 97.36 4.46 9.35 15.63 110.76 -152.24 -98.26 103.53 87.31 8.38 4.31 68.58 12.28 6.17 2.10 2.18 0.00 6.74 1.96 53 S C C 81.96 2.87 10.27 14.75 101.62 172.64 -93.25 4.01 85.65 3.71 10.64 40.25 23.69 22.38 6.46 3.72 0.02 2.05 1.42 54 G C S 55.10 2.22 11.71 14.91 101.20 -98.92 75.32 5.59 80.63 1.17 18.20 16.21 34.92 29.45 14.11 4.06 0.03 0.48 0.74 55 G C S 40.85 3.87 12.35 17.46 114.35 -1.19 75.82 -168.24 64.64 1.38 33.98 19.25 32.36 12.64 31.69 2.76 0.06 0.47 0.77 56 R H H 141.83 3.72 13.97 18.49 94.43 -28.15 -67.10 -35.91 12.56 0.60 86.84 5.92 3.09 4.59 84.35 1.49 0.05 0.32 0.19 57 V H H 60.50 7.77 12.51 21.67 93.00 52.38 -65.65 -41.00 5.07 0.46 94.47 2.30 0.87 2.31 92.93 1.15 0.04 0.32 0.07 58 A H H 48.93 3.42 14.72 19.32 92.00 51.74 -64.32 -41.30 2.84 0.38 96.78 1.44 0.43 1.25 95.45 1.05 0.01 0.33 0.03 59 R H H 124.95 2.28 16.49 18.58 92.23 50.73 -65.45 -40.89 2.40 0.31 97.29 1.03 0.38 1.21 96.20 0.88 0.01 0.26 0.03 60 F H H 71.20 6.85 13.68 22.29 92.29 50.31 -64.91 -41.70 2.17 0.24 97.59 0.85 0.32 1.15 96.66 0.80 0.01 0.19 0.03 61 E H H 85.96 6.58 13.39 21.44 92.28 52.23 -64.46 -39.93 1.82 0.09 98.09 0.66 0.20 0.94 97.38 0.73 0.00 0.07 0.01 62 K H H 143.14 1.44 15.40 16.50 92.14 51.19 -66.07 -37.93 3.32 0.07 96.62 0.64 0.30 2.31 95.44 1.25 0.01 0.04 0.01 63 R H H 146.65 2.22 14.85 17.30 94.92 46.15 -73.25 -37.38 6.33 0.05 93.62 0.63 0.50 5.02 92.85 0.95 0.02 0.02 0.02 64 Y H H 109.49 6.66 12.33 20.33 102.42 33.39 -101.48 -8.96 20.53 0.34 79.13 3.54 4.09 13.56 77.42 1.00 0.08 0.11 0.21 65 G C C 31.14 6.58 11.95 20.08 109.71 103.45 -63.89 -39.85 71.74 1.19 27.06 38.38 11.76 21.74 19.57 7.36 0.00 0.57 0.61 66 K C C 135.93 3.34 13.22 17.72 102.56 -80.10 -80.53 6.70 58.09 2.02 39.89 29.16 14.43 15.32 28.15 10.98 0.03 1.01 0.92 67 R C H 143.88 4.10 11.85 17.29 101.09 61.66 -77.11 -16.66 51.05 1.50 47.45 29.78 10.42 11.54 34.85 11.97 0.02 0.74 0.68 68 N C H 97.94 4.08 12.00 17.53 104.52 56.39 -79.76 36.56 51.29 1.30 47.41 32.03 9.34 10.76 36.87 9.76 0.01 0.65 0.58 69 K C H 125.18 4.16 11.46 17.09 104.01 62.86 -80.25 1.50 50.71 1.41 47.87 29.39 11.19 11.47 38.51 8.10 0.02 0.68 0.65 70 A C H 65.94 4.12 10.62 16.26 103.60 58.35 -77.60 -18.39 52.39 1.45 46.16 31.04 10.68 11.69 37.00 8.18 0.02 0.69 0.69 71 A C C 71.44 3.55 9.87 14.96 101.42 60.44 -77.97 -15.78 56.06 1.62 42.31 31.77 11.90 13.20 31.18 10.38 0.02 0.78 0.78 72 A C C 78.62 2.80 8.97 13.35 101.17 66.58 -79.53 -11.12 63.10 2.12 34.78 33.23 13.66 16.96 23.53 10.52 0.03 1.03 1.04 73 D C C 108.60 2.41 8.19 12.22 104.12 74.95 -84.95 27.19 78.32 1.33 20.35 62.44 2.36 14.55 13.66 5.51 0.00 0.72 0.76 74 K C C 148.58 2.59 10.30 14.43 104.85 99.18 -85.65 36.02 99.87 0.05 0.08 99.69 0.11 0.12 0.04 0.00 0.00 0.02 0.01