# 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 G C C 41.57 5.30 13.39 19.89 112.43 -108.23 1.58 -34.62 99.89 0.03 0.08 99.63 0.15 0.15 0.04 0.01 0.00 0.01 0.01 1 K C C 144.72 2.65 11.10 14.93 102.54 -23.79 -79.71 -12.48 62.81 0.91 36.28 51.74 2.66 9.25 29.30 6.07 0.00 0.45 0.53 2 A C C 70.20 4.17 9.22 14.96 103.50 68.89 -76.88 -0.43 56.40 1.30 42.29 32.80 11.60 12.93 31.26 10.11 0.01 0.63 0.66 3 K C H 137.92 3.01 10.60 15.01 102.48 59.93 -79.03 4.38 52.49 1.54 45.98 33.73 9.94 9.45 34.06 11.37 0.01 0.79 0.67 4 K C C 135.13 3.76 10.53 15.75 105.04 64.33 -81.38 62.22 52.60 1.49 45.91 36.77 8.66 7.81 36.20 9.15 0.01 0.76 0.65 5 K C C 126.92 4.57 10.50 16.67 108.15 78.55 -83.95 105.52 58.53 1.37 40.11 39.98 9.54 9.23 32.68 7.26 0.01 0.68 0.62 6 K C C 140.23 3.05 12.22 16.58 106.03 60.27 -84.63 53.27 62.48 1.87 35.65 40.21 11.09 11.30 28.70 6.88 0.01 0.92 0.88 7 W C C 129.71 8.55 9.56 18.99 108.86 121.94 -91.75 99.02 69.44 2.44 28.12 45.34 13.18 10.42 23.47 5.22 0.01 1.13 1.22 8 S C C 61.62 5.21 11.51 18.15 112.09 123.45 -91.79 131.16 77.76 1.99 20.25 56.52 11.07 8.91 18.11 3.43 0.00 0.97 0.99 9 K C H 144.51 3.23 11.86 16.68 103.66 -128.24 -78.15 4.38 60.74 1.07 38.19 20.77 17.25 23.21 33.08 4.62 0.04 0.45 0.58 10 G C H 44.76 3.49 13.24 17.74 103.18 43.26 -25.81 -48.24 55.82 0.82 43.36 18.23 15.53 22.66 37.95 4.81 0.04 0.35 0.42 11 K H H 123.67 3.20 14.30 18.23 96.69 46.37 -72.46 -33.05 38.11 1.62 60.27 22.87 7.79 9.23 53.54 5.10 0.03 0.88 0.57 12 V H H 53.90 9.67 12.08 22.83 95.24 54.58 -70.46 -35.33 25.67 1.85 72.48 17.20 4.57 6.14 65.43 4.93 0.03 1.20 0.49 13 R H H 113.81 7.24 14.51 22.86 93.63 59.14 -66.16 -39.77 15.74 1.07 83.18 9.29 2.83 5.15 74.28 7.36 0.03 0.79 0.27 14 D H H 86.29 3.29 16.41 20.21 93.70 52.04 -67.33 -37.85 15.07 0.84 84.09 7.58 2.55 5.96 73.57 9.45 0.04 0.62 0.23 15 K H H 102.91 6.50 16.25 23.67 93.52 52.00 -69.68 -34.77 15.98 0.78 83.25 6.31 2.63 7.64 71.79 10.78 0.07 0.53 0.25 16 L H H 51.09 13.77 13.59 27.46 94.55 54.31 -73.34 -26.57 21.72 0.84 77.44 7.90 3.69 10.81 64.99 11.67 0.09 0.51 0.34 17 N H H 90.50 7.18 16.68 24.77 95.09 64.00 -72.89 -16.77 46.25 0.61 53.15 6.47 5.05 33.84 45.56 8.28 0.12 0.32 0.36 18 N C T 90.13 6.69 16.76 24.34 98.74 57.87 -94.33 12.81 68.14 0.93 30.93 11.13 9.02 47.27 23.62 7.88 0.04 0.49 0.55 19 L C C 73.30 11.20 15.17 27.05 115.93 114.37 -84.67 131.90 76.00 13.63 10.37 46.46 20.96 8.19 6.90 3.93 0.05 6.72 6.78 20 V C C 61.98 12.95 15.93 29.16 113.44 -144.80 -93.09 121.41 73.40 20.80 5.80 56.82 9.97 5.40 3.47 2.64 0.01 14.88 6.80 21 L C C 81.62 9.89 19.48 29.61 103.99 -167.55 -90.89 31.41 79.31 17.87 2.83 58.86 16.38 3.64 1.60 1.42 0.00 13.25 4.84 22 F C C 38.82 19.72 11.28 29.86 125.33 67.99 -112.45 143.75 86.80 12.55 0.64 65.49 21.18 0.70 0.45 0.26 0.00 7.16 4.76 23 D C C 83.34 3.27 19.80 22.73 119.18 -116.07 -78.13 158.73 98.73 1.08 0.19 97.72 1.14 0.09 0.14 0.02 0.00 0.62 0.27 24 K H H 134.78 5.29 13.29 20.60 92.01 -106.95 -58.78 -37.89 1.24 0.00 98.76 0.14 0.16 0.74 98.80 0.17 0.00 0.00 0.00 25 A H H 69.38 1.47 17.97 18.06 91.67 52.50 -64.19 -40.83 0.83 0.00 99.17 0.08 0.06 0.59 99.03 0.24 0.00 0.00 0.00 26 T H H 32.13 10.95 15.91 28.26 92.04 48.63 -65.91 -40.72 0.36 0.00 99.64 0.06 0.03 0.21 99.49 0.22 0.00 0.00 0.00 27 Y H H 24.95 19.97 13.90 33.66 91.49 51.76 -62.58 -42.87 0.13 0.00 99.86 0.02 0.01 0.07 99.86 0.05 0.00 0.00 0.00 28 D H H 74.95 4.24 21.18 25.64 91.21 50.90 -63.23 -41.08 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 29 K H H 105.12 3.07 22.34 24.72 91.42 50.13 -64.50 -41.02 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 30 L H H 9.12 20.62 16.28 37.22 91.99 49.91 -64.05 -42.23 0.20 0.00 99.80 0.01 0.01 0.14 99.74 0.10 0.00 0.00 0.00 31 C H H 30.03 16.90 16.87 33.50 91.56 52.65 -64.55 -37.15 0.95 0.00 99.05 0.04 0.03 0.83 98.68 0.42 0.00 0.00 0.00 32 K H H 146.11 1.49 21.79 21.94 92.47 51.32 -68.21 -35.25 7.75 0.00 92.25 0.10 0.17 8.07 90.97 0.68 0.00 0.00 0.00 33 E H H 89.92 7.55 18.84 26.86 94.33 46.96 -75.42 -32.64 14.57 0.02 85.41 0.23 0.91 13.83 84.41 0.57 0.03 0.00 0.02 34 V C C 11.48 20.52 11.52 31.99 105.22 34.82 -120.73 51.25 92.84 0.50 6.65 51.59 36.41 4.95 4.87 1.46 0.00 0.13 0.60 35 P C T 75.15 8.45 15.53 25.48 92.22 153.99 -64.24 -25.41 94.98 0.19 4.83 9.34 3.96 81.40 0.45 4.66 0.00 0.11 0.09 36 N C T 125.59 1.50 19.12 19.81 94.80 50.85 -91.59 -0.35 95.79 0.14 4.07 2.74 5.10 87.31 0.20 4.51 0.00 0.08 0.06 37 Y C C 54.63 18.07 10.33 27.63 116.04 102.57 -81.50 134.71 97.96 1.17 0.88 91.23 5.93 0.88 0.15 0.75 0.00 0.53 0.53 38 K C S 133.21 4.33 20.69 26.17 95.73 -160.96 -80.21 -27.86 98.78 1.08 0.14 12.30 82.53 4.04 0.01 0.15 0.00 0.82 0.15 39 L E E 54.11 12.89 20.78 33.70 122.88 30.73 -127.73 127.01 28.85 70.73 0.42 10.31 15.85 4.77 0.09 0.38 0.01 64.42 4.16 40 I E E 12.03 23.76 18.89 42.39 116.41 -173.21 -117.69 116.89 16.27 83.64 0.10 14.06 1.78 0.07 0.08 0.04 0.00 65.01 18.96 41 T C C 28.81 11.96 26.85 39.44 130.90 150.07 -117.02 160.18 94.57 5.39 0.04 93.99 0.99 0.02 0.03 0.01 0.00 4.67 0.29 42 P H H 14.07 22.85 18.93 41.71 91.40 -110.83 -59.15 -36.85 3.08 0.01 96.92 0.14 0.22 2.70 96.24 0.69 0.01 0.00 0.00 43 A H H 45.35 8.66 23.91 33.15 91.66 55.22 -63.51 -40.52 1.78 0.01 98.22 0.10 0.10 1.52 97.56 0.70 0.00 0.00 0.00 44 V H H 34.14 9.72 23.30 34.04 91.87 48.63 -65.27 -42.07 0.99 0.03 98.98 0.13 0.10 0.72 98.13 0.89 0.01 0.02 0.00 45 V H H 3.71 23.44 17.63 41.42 92.06 49.23 -64.32 -43.46 0.96 0.05 98.99 0.19 0.15 0.59 98.75 0.28 0.01 0.02 0.01 46 S H H 14.14 15.57 16.22 32.67 91.82 50.90 -63.44 -42.52 1.56 0.04 98.40 0.29 0.21 0.96 98.15 0.35 0.01 0.02 0.01 47 E H H 127.35 2.10 20.56 22.12 92.37 47.93 -65.68 -41.02 1.59 0.01 98.40 0.13 0.11 1.24 97.86 0.64 0.01 0.01 0.00 48 R H H 120.30 7.10 17.79 25.69 92.93 46.28 -68.68 -37.81 4.03 0.01 95.96 0.12 0.25 3.59 95.40 0.62 0.01 0.00 0.00 49 L H H 40.18 15.11 13.66 29.14 95.85 36.11 -95.70 -2.94 23.32 0.06 76.63 0.79 2.21 20.13 75.87 0.93 0.02 0.01 0.04 50 K C T 164.27 1.43 19.75 20.66 93.28 -126.29 57.09 40.82 99.65 0.03 0.31 13.96 3.42 82.37 0.16 0.06 0.00 0.02 0.01 51 I C C 36.57 16.79 10.73 27.35 124.47 142.23 -117.40 143.49 98.52 1.24 0.23 90.99 6.90 0.54 0.12 0.08 0.00 0.42 0.94 52 R C C 166.65 2.40 19.61 22.61 117.02 -133.12 -101.97 137.09 98.89 0.66 0.46 94.04 4.10 0.80 0.26 0.10 0.00 0.21 0.48 53 G C S 29.50 9.11 18.01 27.72 130.74 44.65 124.97 -173.03 79.13 0.85 20.02 18.56 48.42 10.22 20.54 1.41 0.02 0.24 0.59 54 S H H 65.12 5.82 21.76 27.94 94.66 -66.37 -67.25 -34.20 26.04 0.50 73.46 8.58 9.61 8.47 71.46 1.39 0.04 0.14 0.30 55 L H H 40.81 14.61 21.40 35.81 92.03 56.38 -64.53 -39.96 2.86 0.02 97.12 0.89 0.40 1.41 96.60 0.69 0.00 0.01 0.01 56 A H H 2.56 25.31 17.75 43.29 91.11 51.61 -63.00 -42.86 0.62 0.00 99.37 0.17 0.05 0.31 99.10 0.37 0.00 0.00 0.00 57 R H H 97.00 11.92 25.43 36.88 91.43 51.25 -62.95 -41.94 0.27 0.00 99.73 0.05 0.02 0.15 99.59 0.19 0.00 0.00 0.00 58 A H H 36.65 6.01 27.05 34.18 91.41 50.58 -63.89 -42.47 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 59 A H H 4.17 21.52 22.50 43.96 91.56 50.20 -63.92 -43.53 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 60 L H H 2.54 26.41 20.84 47.30 91.22 49.91 -63.87 -42.50 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 61 Q H H 89.05 6.41 26.08 32.84 91.42 50.92 -63.23 -42.39 0.09 0.00 99.91 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 62 E H H 68.09 6.90 23.99 31.42 91.71 49.51 -64.41 -41.76 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 63 L H H 4.70 22.94 16.09 39.58 91.83 49.54 -63.97 -42.77 0.18 0.00 99.82 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 64 L H H 52.63 15.05 16.59 31.30 91.90 49.98 -63.49 -41.90 0.32 0.00 99.68 0.02 0.01 0.23 99.51 0.22 0.00 0.00 0.00 65 S H H 90.45 1.17 19.53 19.55 90.59 52.61 -64.63 -30.89 3.62 0.00 96.37 0.06 0.07 3.76 95.79 0.32 0.00 0.00 0.00 66 K C T 110.95 5.77 16.02 23.07 91.90 52.42 -85.37 -5.01 87.29 0.00 12.71 0.08 0.43 87.15 12.11 0.23 0.00 0.00 0.00 67 G C T 41.66 5.52 19.16 25.77 94.19 -113.35 80.81 14.06 99.91 0.00 0.09 0.09 0.57 99.31 0.03 0.01 0.00 0.00 0.00 68 L C S 21.34 17.95 16.82 35.48 94.81 120.87 -79.90 -27.09 99.76 0.23 0.01 6.20 93.20 0.44 0.00 0.00 0.00 0.14 0.02 69 I E E 3.12 25.84 13.75 40.70 133.10 26.66 -136.27 149.93 15.63 84.36 0.00 8.13 8.41 0.13 0.00 0.00 0.00 82.83 0.50 70 K E E 102.60 5.43 25.76 31.69 122.72 -154.10 -118.32 136.03 1.21 98.79 0.00 1.10 0.04 0.00 0.00 0.00 0.00 98.84 0.02 71 L E E 66.46 16.48 15.51 31.52 110.39 -117.00 -74.70 125.12 0.40 99.60 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.00 72 V E E 61.53 9.21 17.10 27.66 101.62 176.10 -96.84 -32.17 1.10 98.90 0.00 0.84 0.09 0.00 0.00 0.00 0.00 99.06 0.00 73 S E E 46.32 5.42 19.50 26.07 139.60 -6.32 -157.39 157.03 0.79 99.21 0.00 0.59 0.08 0.01 0.00 0.00 0.00 99.31 0.01 74 K E E 116.43 10.09 11.75 23.31 124.57 -154.73 -129.51 132.35 3.43 96.56 0.01 2.90 0.25 0.03 0.00 0.01 0.00 96.75 0.06 75 H E E 103.41 5.10 12.61 19.51 119.98 173.89 -127.60 121.07 35.21 64.70 0.09 31.48 2.23 0.27 0.02 0.07 0.00 65.52 0.41 76 R C T 188.83 1.07 14.11 14.72 102.89 -45.46 52.03 -109.99 98.68 0.57 0.76 3.35 29.55 65.70 0.02 0.86 0.00 0.44 0.08 77 A C T 79.65 5.14 12.91 19.08 97.23 -22.68 -90.57 4.70 98.96 0.36 0.68 3.10 27.93 67.77 0.02 0.86 0.00 0.28 0.04 78 Q E E 63.02 10.99 13.96 26.22 122.89 99.93 -106.39 140.88 21.88 78.02 0.10 16.42 4.23 0.72 0.01 0.09 0.00 78.28 0.26 79 V E E 32.11 13.92 17.59 32.80 118.15 -147.16 -103.65 130.06 1.81 98.19 0.00 1.74 0.03 0.00 0.00 0.00 0.00 98.21 0.02 80 I E E 20.64 15.20 21.24 37.62 120.18 -161.83 -111.84 130.51 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 81 Y E E 18.25 20.29 19.55 39.96 126.50 -168.20 -118.30 142.47 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 82 T E E 31.03 12.68 22.31 35.55 130.07 -171.99 -126.94 149.50 1.22 98.78 0.00 1.14 0.03 0.00 0.00 0.00 0.00 98.79 0.03 83 R E E 84.13 14.20 16.59 30.58 114.56 -112.80 -81.36 138.80 22.09 77.88 0.04 19.85 1.59 0.13 0.01 0.03 0.00 77.92 0.47 84 N C C 77.54 10.18 13.94 24.81 111.73 -131.09 -88.09 126.07 91.13 8.79 0.08 87.69 2.29 0.59 0.02 0.06 0.00 8.98 0.36 85 T C C 91.85 5.01 15.58 21.70 103.67 -139.25 -93.02 6.55 99.91 0.08 0.01 99.73 0.17 0.05 0.00 0.00 0.00 0.04 0.01