# 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 V C C 67.40 10.23 16.24 27.15 120.58 -164.87 -109.69 131.73 98.99 1.01 0.00 99.18 0.07 0.01 0.00 0.00 0.00 0.70 0.04 1 L C C 91.77 7.76 15.41 24.31 114.12 -136.59 -91.49 127.66 67.90 31.44 0.66 67.81 0.71 0.43 0.41 0.17 0.00 20.47 10.00 2 L C C 48.62 15.54 10.47 25.82 114.14 -145.13 -90.68 130.83 83.02 14.71 2.27 73.64 6.75 2.15 1.43 0.84 0.00 11.58 3.61 3 E C C 123.92 4.10 16.42 21.53 109.98 -153.90 -92.47 113.84 95.41 2.54 2.05 82.84 10.59 2.19 1.40 0.59 0.00 1.62 0.77 4 S C H 47.10 9.41 12.16 22.57 112.30 65.67 -90.22 137.89 60.69 0.82 38.49 30.86 23.54 5.13 38.63 1.21 0.01 0.23 0.39 5 E H H 131.65 2.97 14.65 18.77 93.72 -100.22 -64.32 -35.64 6.44 0.03 93.52 1.64 1.15 3.55 92.35 1.27 0.01 0.01 0.01 6 Q H H 106.27 2.63 17.56 20.25 92.25 52.95 -65.39 -40.11 2.71 0.03 97.26 0.84 0.37 1.48 96.15 1.14 0.01 0.01 0.01 7 F H H 25.59 16.92 14.32 31.62 92.29 50.16 -64.65 -42.59 1.01 0.01 98.97 0.39 0.14 0.46 98.29 0.71 0.00 0.01 0.00 8 L H H 40.70 14.36 16.85 31.56 91.77 50.68 -63.66 -41.19 0.49 0.00 99.51 0.15 0.05 0.22 99.38 0.20 0.00 0.00 0.00 9 T H H 73.22 2.47 22.60 23.80 91.76 49.97 -64.21 -41.84 0.37 0.00 99.63 0.08 0.03 0.20 99.62 0.08 0.00 0.00 0.00 10 E H H 66.62 8.46 21.00 30.19 91.75 49.77 -64.44 -41.85 0.30 0.00 99.70 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 11 L H H 8.19 23.17 16.51 39.72 91.49 50.39 -63.80 -41.93 0.28 0.00 99.72 0.04 0.01 0.16 99.74 0.05 0.00 0.00 0.00 12 T H H 49.91 9.75 21.03 31.26 91.41 51.40 -63.24 -41.76 0.34 0.00 99.66 0.04 0.01 0.20 99.68 0.07 0.00 0.00 0.00 13 R H H 131.00 2.04 24.10 24.49 91.63 50.16 -63.94 -41.60 0.60 0.00 99.40 0.04 0.02 0.47 99.30 0.17 0.00 0.00 0.00 14 L H H 20.90 14.63 18.70 34.35 91.77 49.86 -64.07 -42.99 0.75 0.00 99.25 0.06 0.04 0.56 98.98 0.37 0.00 0.00 0.00 15 F H H 26.59 20.29 15.58 35.48 91.48 50.68 -63.57 -41.03 1.07 0.00 98.93 0.13 0.07 0.73 98.17 0.90 0.00 0.00 0.00 16 Q H H 113.40 3.07 20.23 23.54 91.67 51.26 -64.47 -38.97 3.26 0.01 96.73 0.23 0.17 2.70 95.16 1.72 0.00 0.00 0.00 17 K H H 127.47 2.52 19.72 21.90 92.30 49.16 -69.00 -33.09 8.18 0.01 91.80 0.29 0.48 7.47 90.24 1.50 0.02 0.00 0.01 18 C H H 19.42 16.82 11.57 28.58 98.43 43.13 -96.35 -7.46 31.08 0.35 68.57 5.38 4.83 21.54 64.87 2.91 0.11 0.12 0.26 19 R C T 122.98 11.14 13.20 24.85 94.02 95.46 -62.34 -32.71 56.31 1.22 42.46 15.31 5.01 35.38 27.71 15.10 0.06 0.67 0.75 20 T C T 115.42 1.04 16.68 16.57 95.07 53.32 -78.87 -13.66 63.27 1.14 35.58 8.07 8.62 45.44 19.99 16.38 0.10 0.62 0.77 21 S C T 71.46 4.08 15.35 20.27 101.19 51.45 -93.52 -7.59 70.06 1.22 28.72 10.71 17.50 42.69 12.75 14.85 0.05 0.60 0.85 22 G C S 37.74 6.68 16.65 24.34 104.01 -106.57 86.34 1.48 94.60 3.99 1.41 21.23 57.94 15.55 0.18 1.25 0.00 3.20 0.65 23 S C C 46.15 8.67 19.30 28.56 124.19 65.62 -118.38 146.22 79.19 20.17 0.64 62.10 12.43 2.82 0.09 0.64 0.00 21.26 0.66 24 V E E 20.98 22.14 13.32 34.76 127.74 -163.24 -129.27 139.15 20.98 78.95 0.07 18.48 1.77 0.15 0.02 0.05 0.00 79.08 0.45 25 Y E E 104.74 6.83 25.14 32.38 121.17 -162.20 -116.88 132.66 2.60 97.39 0.01 2.43 0.11 0.01 0.00 0.00 0.00 97.36 0.07 26 I E E 32.53 21.75 14.83 35.88 121.95 -164.87 -116.10 130.32 0.97 99.03 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.04 0.02 27 T E E 50.57 7.12 23.22 30.96 127.08 -176.13 -125.94 143.52 0.89 99.11 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.02 28 L E E 57.84 17.71 14.40 31.37 122.12 -153.62 -113.58 133.30 2.33 97.67 0.00 2.12 0.06 0.00 0.00 0.00 0.00 97.76 0.04 29 K E E 92.77 6.18 19.31 26.63 129.27 -176.66 -126.90 146.27 3.82 96.17 0.02 3.37 0.20 0.02 0.00 0.01 0.00 96.33 0.07 30 K E E 121.01 6.99 13.70 22.43 116.40 -123.24 -88.48 132.46 8.63 91.30 0.08 7.67 0.62 0.11 0.02 0.04 0.00 91.13 0.41 31 Y E E 95.71 9.11 9.99 20.40 120.14 -175.01 -121.98 142.17 40.88 58.57 0.56 34.22 4.64 1.35 0.11 0.43 0.00 58.40 0.85 32 D C T 125.66 0.95 13.19 13.58 100.75 -28.53 0.75 66.34 75.37 21.91 2.72 28.83 15.86 30.96 0.31 2.44 0.00 20.53 1.05 33 G C T 56.81 2.04 13.67 16.23 99.59 -48.61 71.47 -16.99 97.93 0.36 1.71 39.01 13.49 45.29 0.17 1.69 0.00 0.25 0.10 34 N C C 89.28 8.09 13.90 22.72 101.81 8.02 -103.43 10.49 95.12 3.37 1.51 38.89 25.18 30.92 0.13 1.61 0.00 2.92 0.34 35 K E E 71.75 9.44 17.55 28.19 124.91 96.88 -109.88 142.26 31.56 68.40 0.05 28.01 2.40 0.21 0.01 0.04 0.00 68.72 0.62 36 C E E 8.43 19.51 15.43 35.86 127.06 -165.53 -123.79 143.48 1.86 98.14 0.00 1.73 0.06 0.00 0.00 0.00 0.00 98.15 0.06 37 L E E 28.04 11.58 23.47 36.61 117.05 -140.75 -104.02 128.54 0.55 99.44 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 38 L E E 7.59 22.78 18.84 41.91 123.26 -169.26 -117.06 133.70 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 39 R E E 65.12 11.38 25.05 36.75 121.90 -161.05 -111.93 133.56 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 40 A E E 6.38 20.89 17.04 38.48 127.11 -172.21 -122.73 142.02 0.64 99.36 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 41 T E E 40.43 10.13 19.88 31.36 126.16 -167.91 -127.10 140.07 6.18 93.80 0.03 5.05 0.78 0.09 0.00 0.01 0.00 93.83 0.22 42 D C E 56.38 10.40 15.00 26.54 106.72 175.64 -117.11 56.40 56.05 43.52 0.43 38.03 13.44 3.96 0.05 0.43 0.00 43.38 0.72 43 G C S 50.54 3.30 15.26 19.57 101.86 -76.13 70.20 -48.00 97.87 1.11 1.03 12.05 49.92 35.86 0.05 1.12 0.00 0.81 0.18 44 K C S 173.09 0.65 14.96 13.82 100.85 21.70 -98.26 -15.94 97.63 1.48 0.88 11.59 55.10 30.91 0.05 0.95 0.00 1.20 0.20 45 K E E 109.65 5.33 13.28 20.43 123.63 63.12 -111.89 141.51 49.01 50.70 0.29 38.06 8.05 1.64 0.04 0.29 0.00 51.33 0.61 46 K E E 113.25 9.05 14.06 24.73 123.21 -163.17 -120.58 134.95 9.68 90.31 0.02 9.01 0.48 0.04 0.00 0.01 0.00 90.17 0.29 47 I E E 42.09 13.65 15.96 30.77 125.66 -172.87 -126.56 138.02 2.23 97.77 0.00 2.09 0.08 0.00 0.00 0.00 0.00 97.79 0.04 48 S E E 53.79 11.11 17.95 29.91 129.61 -170.95 -130.96 144.81 1.28 98.72 0.00 1.18 0.03 0.00 0.00 0.00 0.00 98.77 0.01 49 T E E 30.84 14.88 17.69 33.21 134.77 -175.35 -140.99 152.18 0.84 99.16 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.19 0.01 50 V E E 75.85 8.59 21.48 30.73 119.39 -138.78 -108.81 130.20 0.51 99.49 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.50 0.02 51 V E E 14.97 19.51 13.61 33.39 128.19 -176.07 -125.17 146.40 4.43 95.57 0.00 4.27 0.09 0.00 0.00 0.00 0.00 95.46 0.17 52 S C C 45.79 4.36 20.97 25.47 118.58 -113.37 -72.32 158.66 56.02 43.96 0.02 55.65 0.42 0.02 0.00 0.01 0.00 43.65 0.26 53 S H H 56.12 9.98 13.65 24.79 91.49 -109.76 -58.51 -37.12 3.17 0.01 96.82 0.36 0.33 2.32 94.54 2.44 0.00 0.00 0.00 54 K H H 145.37 1.11 19.30 18.62 91.75 54.04 -64.47 -38.34 1.22 0.00 98.78 0.08 0.07 1.00 96.77 2.07 0.00 0.00 0.00 55 E H H 69.75 8.71 16.89 26.69 92.32 48.62 -66.98 -39.12 0.82 0.00 99.18 0.07 0.05 0.62 96.84 2.42 0.00 0.00 0.00 56 V H H 22.20 18.09 13.41 31.52 91.79 52.27 -62.42 -43.28 0.81 0.00 99.19 0.10 0.07 0.53 98.98 0.31 0.00 0.00 0.00 57 N H H 89.40 3.04 20.39 23.25 91.51 50.46 -63.77 -40.69 0.97 0.00 99.03 0.16 0.07 0.59 99.08 0.10 0.00 0.00 0.00 58 K H H 117.12 2.32 20.69 22.18 91.86 49.73 -64.62 -41.65 0.26 0.00 99.74 0.02 0.01 0.17 99.74 0.05 0.00 0.00 0.00 59 F H H 38.71 15.04 16.20 31.79 92.18 49.58 -64.82 -42.37 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 60 Q H H 71.36 10.96 18.35 29.67 91.72 51.09 -63.07 -41.54 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 61 M H H 109.41 1.90 21.18 21.62 91.92 49.96 -64.48 -41.27 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 62 A H H 41.61 5.69 18.53 25.41 91.72 50.25 -64.38 -41.90 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 63 Y H H 65.23 12.38 16.60 29.59 92.20 49.53 -64.62 -41.88 0.28 0.00 99.72 0.02 0.01 0.20 99.73 0.04 0.00 0.00 0.00 64 S H H 48.71 5.32 17.49 23.94 91.62 51.05 -63.40 -41.31 0.42 0.00 99.57 0.05 0.02 0.27 99.59 0.07 0.00 0.00 0.00 65 N H H 92.70 1.86 18.98 19.71 92.15 49.90 -65.08 -41.03 0.54 0.00 99.46 0.06 0.03 0.37 99.41 0.13 0.00 0.00 0.00 66 L H H 71.81 6.00 16.05 23.19 92.03 49.99 -64.64 -41.99 0.52 0.00 99.48 0.06 0.03 0.35 99.32 0.24 0.00 0.00 0.00 67 L H H 70.74 7.12 14.19 22.71 92.12 49.51 -64.89 -40.76 1.11 0.00 98.89 0.15 0.08 0.76 98.55 0.46 0.00 0.00 0.00 68 R H H 143.66 2.39 14.87 17.83 92.26 50.96 -65.00 -38.76 3.86 0.01 96.13 0.41 0.27 2.99 95.36 0.94 0.01 0.01 0.00 69 A H H 69.98 2.13 13.88 16.29 92.76 52.99 -68.15 -32.54 15.47 0.04 84.49 1.05 0.99 13.41 82.65 1.84 0.02 0.01 0.03 70 N H H 95.77 3.92 11.99 17.17 98.31 45.89 -89.60 -7.39 39.47 0.16 60.37 3.89 2.96 31.95 58.20 2.79 0.03 0.07 0.11 71 M C H 103.62 5.60 8.90 16.03 102.90 73.57 -82.55 -0.41 51.03 2.89 46.08 22.56 11.42 19.99 34.60 8.33 0.19 1.26 1.65 72 D C T 113.47 1.69 10.03 12.80 103.17 107.15 -82.09 20.00 59.92 1.96 38.11 14.32 10.26 34.97 22.40 15.68 0.14 0.99 1.25 73 G C T 59.37 1.58 9.80 12.35 100.66 -21.79 69.18 0.65 68.47 1.14 30.40 15.18 11.20 42.23 15.15 14.89 0.03 0.58 0.74 74 L C C 115.61 3.42 7.11 12.33 106.32 107.16 -83.98 72.44 79.82 1.82 18.36 63.41 2.97 15.04 9.78 6.75 0.00 1.05 1.01 75 K C C 151.11 2.23 11.09 14.94 110.44 118.21 -88.79 119.47 99.89 0.09 0.03 99.80 0.09 0.05 0.01 0.00 0.00 0.04 0.01