# 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 A C C 36.93 12.03 21.41 33.23 113.72 -166.12 -92.59 133.22 99.78 0.22 0.00 99.79 0.06 0.01 0.00 0.00 0.00 0.14 0.00 1 V E E 16.93 21.56 15.23 36.32 122.82 -151.50 -112.83 136.51 22.34 77.63 0.03 22.63 0.28 0.03 0.01 0.01 0.00 76.50 0.54 2 K E E 84.64 8.45 24.32 33.01 119.81 -156.78 -110.27 131.93 6.49 93.50 0.01 5.77 0.45 0.03 0.00 0.01 0.00 93.61 0.13 3 I E E 11.80 24.07 16.15 40.30 120.25 -160.04 -110.99 130.81 2.05 97.94 0.00 1.89 0.07 0.01 0.00 0.00 0.00 98.00 0.03 4 R E E 78.06 9.31 25.69 35.31 123.70 -170.40 -120.97 135.10 0.92 99.08 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.12 0.01 5 L E E 18.96 23.11 16.27 38.92 122.33 -159.64 -111.51 135.15 0.89 99.11 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.15 0.01 6 K E E 81.65 8.25 23.63 32.36 131.20 -175.17 -132.31 147.43 0.53 99.47 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 7 R E E 106.43 13.28 16.38 29.46 114.39 -114.19 -78.81 133.23 1.83 98.16 0.00 1.73 0.06 0.00 0.00 0.00 0.00 98.13 0.08 8 M E E 67.79 10.46 15.74 27.19 128.55 -175.97 -126.75 154.42 26.28 73.67 0.05 23.01 2.12 0.20 0.01 0.04 0.00 74.21 0.41 9 G C E 37.94 4.30 15.21 20.97 128.72 27.65 114.30 -171.37 58.89 40.94 0.17 38.00 19.47 1.75 0.02 0.19 0.00 39.64 0.92 10 A C C 67.69 4.35 12.66 18.54 121.85 -62.27 -105.52 151.97 69.51 29.54 0.95 44.25 22.10 4.27 0.20 0.95 0.00 23.46 4.78 11 K C T 157.26 2.26 11.68 15.27 103.57 -77.45 -64.39 6.32 97.77 0.69 1.53 2.76 38.87 56.20 0.06 1.51 0.00 0.42 0.18 12 K C T 172.64 0.98 13.97 14.39 96.40 9.05 -57.48 -0.55 97.86 0.59 1.55 3.59 37.97 56.21 0.05 1.65 0.00 0.38 0.15 13 S C S 49.75 7.25 13.25 22.09 114.67 51.70 -121.05 104.49 73.52 26.16 0.32 22.41 49.50 2.27 0.03 0.34 0.00 23.50 1.95 14 P C C 39.56 12.29 14.72 28.35 114.75 -147.22 -70.29 143.21 68.00 31.94 0.05 61.96 2.94 0.30 0.01 0.05 0.00 34.41 0.34 15 F E E 40.91 13.37 19.37 33.81 129.98 -171.98 -127.78 149.31 4.67 95.33 0.00 4.06 0.30 0.01 0.00 0.00 0.00 95.47 0.15 16 Y E E 29.19 19.20 19.43 38.37 126.28 -154.52 -118.01 141.79 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 17 R E E 50.59 15.13 24.86 39.61 128.25 -166.94 -126.61 140.45 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 18 I E E 7.55 23.52 21.46 45.14 117.95 -147.32 -106.94 127.26 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 19 V E E 12.40 18.16 25.76 43.80 124.82 -169.38 -119.13 137.35 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 V E E 10.13 21.26 23.86 44.84 119.31 -152.53 -108.70 129.44 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 21 A E E 9.42 16.99 20.49 38.18 134.38 173.43 -133.65 155.80 2.22 97.78 0.00 2.05 0.06 0.00 0.00 0.00 0.00 97.80 0.09 22 D E E 37.29 10.70 19.37 31.14 115.47 -104.43 -73.38 152.31 21.74 78.21 0.06 19.65 1.65 0.16 0.01 0.04 0.00 77.58 0.90 23 S C T 65.40 9.53 15.41 25.89 91.49 -114.60 -63.85 -22.99 98.79 0.71 0.49 0.72 12.40 85.81 0.02 0.43 0.00 0.49 0.12 24 R C T 177.04 1.27 17.65 17.88 94.66 59.22 -85.96 -9.91 98.90 0.58 0.52 0.94 13.13 84.92 0.03 0.47 0.00 0.40 0.12 25 S C S 31.72 12.25 9.61 22.71 117.51 81.34 -97.06 130.68 96.37 3.36 0.26 22.78 73.41 0.63 0.08 0.14 0.00 1.27 1.70 26 P C C 68.58 5.10 14.20 20.78 112.20 -126.65 -65.80 154.17 95.87 2.08 2.05 87.71 3.84 4.03 0.39 1.84 0.00 1.15 1.04 27 R C T 149.53 7.24 11.35 20.00 94.29 -105.08 -62.44 -26.04 90.25 1.01 8.74 6.51 14.68 66.89 0.47 10.31 0.00 0.56 0.56 28 D C T 116.41 1.52 15.69 16.92 95.86 53.60 -83.39 3.60 89.06 0.54 10.40 3.58 12.26 71.21 0.50 11.85 0.00 0.30 0.31 29 G C C 33.43 11.33 12.63 24.23 99.51 -103.27 82.61 5.75 90.72 1.79 7.49 39.26 36.47 13.54 0.51 8.48 0.00 0.95 0.79 30 R C C 122.48 5.31 17.93 24.40 114.43 141.62 -84.30 135.28 93.83 5.57 0.59 78.11 13.50 2.14 0.12 0.60 0.00 4.04 1.49 31 F E E 77.22 15.03 13.65 28.40 113.64 -122.93 -81.45 129.47 45.77 54.07 0.15 43.54 1.87 0.21 0.06 0.11 0.00 49.12 5.09 32 I E E 69.31 11.30 17.94 29.72 100.89 -169.74 -93.11 -33.75 40.35 59.60 0.05 21.37 18.48 0.41 0.00 0.05 0.00 59.46 0.23 33 E E E 72.22 9.25 21.13 30.93 137.17 -3.66 -147.24 148.61 4.09 95.85 0.05 3.31 0.79 0.10 0.00 0.05 0.00 95.64 0.11 34 T E E 67.45 12.62 19.56 31.91 111.84 -127.28 -85.36 123.40 1.32 98.68 0.01 1.46 0.03 0.00 0.00 0.00 0.00 98.44 0.06 35 V E E 18.19 19.41 18.12 37.69 101.09 175.99 -99.45 -21.21 2.98 97.00 0.01 2.25 0.63 0.07 0.00 0.01 0.00 96.99 0.04 36 G E E 7.62 13.01 22.06 36.30 144.64 -46.09 162.45 178.60 2.16 97.83 0.01 1.51 0.49 0.06 0.00 0.01 0.00 97.90 0.02 37 T E E 43.39 12.97 22.25 35.59 133.10 -96.98 -135.87 151.55 2.26 97.73 0.01 2.03 0.18 0.02 0.00 0.01 0.00 97.65 0.11 38 Y E E 41.08 17.72 17.07 34.95 125.08 -151.74 -120.82 136.57 7.42 92.56 0.02 6.64 0.63 0.05 0.01 0.01 0.00 90.88 1.78 39 N C C 47.26 8.62 18.66 29.07 110.50 -159.22 -113.33 107.53 73.18 26.78 0.03 69.68 2.23 0.14 0.01 0.03 0.00 27.32 0.59 40 P C T 54.09 12.77 12.73 26.68 93.90 -167.52 -67.52 -19.71 93.21 5.00 1.78 20.09 33.75 39.26 0.16 1.77 0.00 4.38 0.59 41 V C S 110.69 2.29 14.71 17.50 96.81 56.23 -86.29 -19.65 96.09 2.05 1.86 10.82 45.00 40.42 0.18 1.68 0.00 1.29 0.60 42 A C S 61.17 4.43 11.30 17.41 118.79 57.25 -103.15 151.66 95.24 2.14 2.61 24.88 49.33 20.94 0.30 2.55 0.00 1.23 0.77 43 K C S 157.49 1.92 13.69 16.55 110.80 -88.36 -84.64 120.15 95.08 3.44 1.48 36.45 49.41 9.30 0.25 1.34 0.00 2.30 0.95 44 P C C 80.43 5.29 13.10 19.81 111.74 44.64 -72.36 147.72 91.30 5.01 3.69 37.69 31.59 22.17 0.51 3.52 0.00 3.86 0.67 45 A C C 47.38 11.43 11.89 24.02 112.38 -131.07 -80.24 130.29 79.80 16.32 3.88 58.06 10.92 9.56 0.53 3.75 0.00 16.33 0.85 46 E E E 105.17 6.41 18.58 26.00 117.87 -153.84 -106.21 128.40 43.38 54.12 2.50 37.62 4.16 1.47 0.75 1.74 0.00 52.42 1.84 47 V E E 30.27 20.39 12.52 32.03 125.24 -167.96 -123.74 136.49 19.55 79.93 0.52 17.61 1.31 0.30 0.33 0.26 0.00 78.17 2.02 48 K E E 119.44 4.68 23.93 29.61 122.65 -162.58 -117.63 135.20 15.45 84.26 0.29 13.28 1.80 0.31 0.17 0.16 0.00 82.70 1.58 49 I E E 20.75 23.31 11.73 34.53 118.81 -151.04 -103.61 133.68 34.84 65.01 0.15 33.44 1.40 0.09 0.12 0.06 0.00 61.25 3.63 50 D C C 68.94 6.06 21.01 27.77 106.41 -132.09 -84.61 107.48 91.13 8.64 0.23 91.38 0.60 0.07 0.16 0.03 0.00 7.36 0.41 51 E H H 86.79 13.98 14.26 28.25 93.50 -166.69 -63.27 -36.31 1.79 0.00 98.21 0.43 0.18 0.89 98.14 0.35 0.00 0.00 0.00 52 E H H 132.41 1.47 21.66 21.63 91.48 54.33 -63.31 -40.95 0.49 0.00 99.50 0.05 0.03 0.34 99.26 0.32 0.00 0.00 0.00 53 L H H 47.31 9.72 19.14 30.03 91.90 48.71 -65.44 -40.95 0.14 0.00 99.86 0.02 0.01 0.08 99.66 0.23 0.00 0.00 0.00 54 A H H 2.23 24.84 14.11 39.48 91.00 51.20 -63.14 -43.41 0.11 0.00 99.89 0.01 0.00 0.06 99.87 0.06 0.00 0.00 0.00 55 L H H 52.18 10.17 20.92 31.84 91.49 50.41 -63.39 -41.80 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 56 K H H 111.98 2.43 24.11 25.24 91.58 50.65 -63.71 -42.14 0.13 0.00 99.87 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 57 W H H 27.36 17.17 17.57 35.16 91.90 50.16 -64.40 -42.65 0.31 0.00 99.69 0.02 0.01 0.23 99.52 0.21 0.00 0.00 0.00 58 L H H 30.22 19.49 15.49 34.27 91.68 50.83 -64.23 -39.18 1.01 0.00 98.99 0.05 0.04 0.90 98.40 0.61 0.00 0.00 0.00 59 Q H H 130.38 2.76 19.19 22.75 90.63 55.42 -66.79 -25.81 10.02 0.01 89.98 0.19 0.27 9.99 88.89 0.65 0.01 0.00 0.01 60 T C T 83.38 4.37 17.41 22.56 94.34 53.67 -89.23 -0.32 79.87 0.04 20.09 0.53 2.10 75.49 21.13 0.70 0.00 0.01 0.04 61 G C T 42.01 5.54 19.47 25.74 101.11 -97.72 92.77 7.36 99.57 0.04 0.40 5.97 2.83 90.84 0.26 0.07 0.00 0.02 0.01 62 A C C 15.13 20.80 11.67 32.09 116.55 160.60 -71.37 143.44 97.86 2.08 0.06 96.89 1.19 0.11 0.02 0.02 0.00 1.34 0.43 63 K C C 132.56 3.51 24.74 28.96 117.41 -141.48 -105.78 128.40 86.25 13.73 0.02 86.19 1.31 0.04 0.01 0.01 0.00 10.90 1.53 64 P C C 28.35 22.05 12.87 34.04 117.30 -116.01 -69.18 149.09 80.60 19.35 0.05 82.38 0.67 0.04 0.02 0.02 0.00 11.93 4.94 65 S C C 30.68 10.57 16.96 28.81 121.04 -113.75 -74.71 163.37 98.28 1.63 0.09 98.26 0.45 0.03 0.05 0.01 0.00 0.64 0.55 66 D H H 113.78 2.00 18.41 20.67 90.85 -104.03 -60.23 -34.80 1.08 0.00 98.92 0.12 0.16 0.64 98.95 0.13 0.00 0.00 0.00 67 T H H 65.34 5.76 19.41 25.88 91.65 53.55 -64.62 -41.33 0.44 0.00 99.56 0.03 0.03 0.31 99.52 0.11 0.00 0.00 0.00 68 V H H 6.71 23.21 14.56 37.82 91.76 48.49 -64.75 -42.70 0.10 0.00 99.90 0.01 0.00 0.06 99.86 0.06 0.00 0.00 0.00 69 R H H 88.67 13.26 18.54 31.50 91.11 51.46 -61.78 -42.43 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 70 N H H 94.69 1.79 23.35 23.10 91.68 49.62 -64.21 -41.60 0.18 0.00 99.82 0.01 0.00 0.14 99.81 0.03 0.00 0.00 0.00 71 L H H 33.88 11.35 19.18 31.77 91.68 49.12 -64.33 -42.93 0.41 0.00 99.59 0.01 0.01 0.35 99.56 0.06 0.00 0.00 0.00 72 F H H 11.24 21.23 14.34 35.70 92.08 47.76 -65.05 -41.85 1.50 0.01 98.49 0.15 0.12 1.10 98.40 0.22 0.00 0.00 0.00 73 S H H 54.82 7.23 16.67 24.97 91.96 51.78 -63.87 -40.43 4.38 0.01 95.61 0.43 0.24 3.41 94.92 0.98 0.01 0.00 0.00 74 S H H 86.49 1.47 17.74 18.68 91.55 52.57 -67.22 -28.85 12.50 0.01 87.48 0.35 0.51 11.85 86.22 1.04 0.01 0.00 0.01 75 Q C T 87.27 8.05 14.05 23.30 93.80 51.63 -87.28 -2.23 80.05 0.03 19.93 0.42 2.71 76.53 19.18 1.13 0.00 0.01 0.03 76 G C T 40.79 4.26 18.28 23.40 95.92 -112.12 81.09 11.75 98.08 0.02 1.89 1.96 4.09 92.06 1.67 0.18 0.00 0.01 0.01 77 I H H 29.56 13.52 15.27 30.25 95.17 122.45 -72.74 -34.05 13.34 0.05 86.60 8.37 1.78 3.40 85.52 0.89 0.00 0.02 0.03 78 M H H 36.28 16.59 14.64 31.14 92.71 56.70 -63.71 -42.39 2.25 0.01 97.74 0.47 0.30 1.39 96.93 0.90 0.00 0.00 0.00 79 E H H 109.72 3.01 19.85 22.80 91.72 51.76 -63.92 -41.10 0.59 0.00 99.41 0.14 0.05 0.33 98.72 0.76 0.00 0.00 0.00 80 K H H 113.03 2.76 19.50 22.00 92.14 49.49 -65.55 -41.21 0.50 0.00 99.49 0.09 0.04 0.30 98.93 0.63 0.00 0.00 0.00 81 F H H 49.05 11.70 14.75 27.62 92.83 48.34 -66.31 -41.35 1.04 0.00 98.96 0.18 0.09 0.65 98.50 0.57 0.00 0.00 0.00 82 H H H 70.17 8.60 14.09 24.16 92.25 50.27 -64.52 -40.69 2.65 0.01 97.34 0.50 0.25 1.68 96.98 0.58 0.00 0.00 0.00 83 N H H 101.08 1.76 15.60 17.06 92.60 50.29 -65.89 -38.29 6.13 0.02 93.85 1.11 0.60 4.07 92.97 1.21 0.00 0.01 0.01 84 A H H 66.19 3.13 12.91 17.19 93.02 51.93 -68.17 -35.33 11.88 0.05 88.07 2.11 1.29 8.06 86.29 2.20 0.01 0.02 0.02 85 K H H 122.52 5.14 11.10 17.59 95.73 51.89 -74.79 -25.20 27.33 0.20 72.47 6.39 3.21 17.44 70.75 2.00 0.02 0.08 0.12 86 Q C H 126.25 2.87 10.31 14.65 99.26 54.90 -84.32 -5.06 56.05 0.27 43.68 27.71 2.34 24.14 44.16 1.37 0.00 0.09 0.18 87 G C C 53.15 2.55 13.09 16.86 108.34 -105.63 74.58 3.55 99.96 0.01 0.02 99.58 0.13 0.27 0.01 0.00 0.00 0.01 0.00