# 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 93.81 8.71 12.03 21.75 117.77 -162.92 -100.52 139.75 99.75 0.25 0.01 99.75 0.07 0.02 0.00 0.00 0.00 0.14 0.02 1 K C C 150.32 2.31 13.67 17.16 112.01 -134.70 -93.23 120.86 73.04 26.77 0.19 72.76 1.29 0.49 0.08 0.09 0.00 16.01 9.28 2 V C C 65.10 11.27 8.96 20.86 118.09 -160.23 -103.85 130.42 80.02 19.91 0.07 67.86 12.37 0.28 0.02 0.05 0.00 17.20 2.21 3 P C C 53.93 8.12 12.42 22.48 115.12 -109.22 -65.35 148.60 89.12 10.72 0.15 87.17 1.74 0.37 0.03 0.10 0.00 9.98 0.62 4 K C S 145.40 3.38 14.39 19.45 95.60 -138.80 -74.16 -28.97 91.18 8.77 0.05 12.21 77.39 1.07 0.00 0.04 0.00 9.03 0.26 5 V E E 81.07 4.73 16.43 22.50 129.40 27.50 -134.29 141.91 29.87 70.01 0.12 22.15 6.56 0.57 0.02 0.12 0.00 70.11 0.47 6 I E E 53.37 13.91 12.03 26.60 125.23 -169.89 -124.95 137.31 14.36 85.63 0.02 13.53 0.42 0.02 0.00 0.01 0.00 85.82 0.20 7 K E E 102.87 6.82 17.23 25.26 117.63 -139.55 -99.00 133.59 4.40 95.60 0.00 4.22 0.10 0.00 0.00 0.00 0.00 95.60 0.08 8 T E E 45.95 11.41 14.81 27.38 128.56 -168.86 -125.46 148.24 1.71 98.29 0.00 1.47 0.09 0.00 0.00 0.00 0.00 98.39 0.03 9 Y E E 99.72 7.36 15.02 24.12 118.19 -127.73 -101.61 131.38 2.75 97.24 0.00 2.64 0.12 0.00 0.00 0.00 0.00 96.57 0.66 10 C C C 23.06 11.17 10.22 23.70 108.49 -141.19 -91.86 112.85 60.93 39.04 0.03 60.11 0.60 0.06 0.00 0.02 0.00 38.66 0.56 11 P C T 89.39 3.56 12.97 18.37 93.00 -163.60 -66.23 -27.73 97.98 0.11 1.91 0.33 3.18 94.02 0.02 2.36 0.00 0.07 0.02 12 K C T 158.77 0.96 12.74 13.34 96.40 47.24 -73.79 -38.94 97.72 0.08 2.21 0.16 2.51 94.63 0.02 2.62 0.00 0.04 0.02 13 C C T 76.20 3.04 11.03 15.38 100.02 24.41 -102.23 -9.55 98.62 0.07 1.31 0.62 3.30 94.31 0.02 1.70 0.00 0.04 0.02 14 K C T 152.63 2.67 11.57 16.22 93.19 -127.87 61.08 29.86 99.28 0.40 0.32 32.44 4.89 62.02 0.07 0.19 0.00 0.32 0.07 15 T E E 74.79 2.91 14.46 18.56 125.15 123.94 -110.77 153.74 36.46 63.52 0.02 33.96 2.00 0.11 0.00 0.02 0.00 62.94 0.96 16 H E E 101.08 10.30 11.24 22.39 117.82 -119.98 -88.99 137.26 1.64 98.36 0.00 1.56 0.06 0.00 0.00 0.00 0.00 98.22 0.16 17 T E E 54.65 7.34 15.12 24.32 128.62 -173.33 -128.05 148.25 1.96 98.04 0.00 1.70 0.11 0.00 0.00 0.00 0.00 98.16 0.02 18 E E E 123.53 4.88 16.48 22.88 114.56 -109.88 -74.43 137.02 4.24 95.75 0.01 3.78 0.23 0.02 0.00 0.00 0.00 95.90 0.07 19 H E E 47.27 15.84 11.37 27.31 130.91 -175.18 -128.38 152.46 13.84 86.13 0.03 12.35 0.73 0.05 0.00 0.02 0.00 86.71 0.15 20 S E E 61.01 4.76 20.84 26.09 122.28 -132.92 -106.16 143.38 11.13 88.84 0.03 10.25 0.49 0.04 0.01 0.02 0.00 88.83 0.37 21 V E E 38.96 18.54 11.88 29.93 123.64 -156.79 -116.14 136.90 12.71 87.23 0.06 11.90 0.57 0.06 0.02 0.03 0.00 86.90 0.52 22 S E E 50.67 6.29 19.40 26.60 126.88 -168.08 -124.11 148.61 11.81 88.09 0.09 10.54 0.90 0.11 0.04 0.05 0.00 87.84 0.52 23 L E E 86.46 9.57 15.00 25.54 116.08 -124.78 -95.13 131.07 14.79 84.96 0.24 12.95 1.48 0.26 0.11 0.14 0.00 84.02 1.05 24 Y E E 91.35 10.94 10.48 22.42 117.16 -146.98 -95.80 133.70 35.08 64.33 0.59 31.22 2.82 0.60 0.27 0.35 0.00 61.97 2.76 25 K C C 144.43 2.75 13.12 17.32 115.25 -156.62 -98.25 135.47 73.29 24.14 2.57 46.88 18.39 8.48 0.59 2.06 0.00 21.96 1.62 26 G C S 54.32 3.31 11.67 16.25 114.57 -33.50 -86.45 150.11 84.08 9.31 6.60 25.98 34.37 24.94 1.32 4.81 0.01 6.85 1.72 27 G C S 47.95 4.02 10.25 16.09 120.19 83.53 104.75 -170.13 81.12 8.05 10.84 32.01 32.15 18.24 2.89 7.25 0.03 4.83 2.60 28 K C C 149.63 2.30 11.77 15.38 114.66 -58.06 -86.87 137.06 77.19 9.34 13.47 51.67 17.96 7.84 6.16 7.31 0.02 6.17 2.86 29 R C C 163.86 3.53 10.63 16.11 112.32 -117.33 -81.45 133.03 74.77 10.57 14.66 58.82 9.67 5.54 8.75 6.44 0.01 7.40 3.38 30 R C C 136.67 5.51 9.37 16.65 117.60 -153.81 -99.27 140.48 71.81 7.61 20.58 56.00 8.57 6.61 12.92 8.32 0.01 5.20 2.38 31 S C C 80.68 3.19 11.15 15.74 104.88 -133.81 -82.11 17.42 66.19 4.84 28.97 34.71 14.96 16.81 17.54 11.36 0.04 3.01 1.56 32 L C C 108.19 4.33 10.63 16.46 104.91 63.09 -88.33 39.44 64.05 4.25 31.70 30.64 16.64 17.48 20.64 10.52 0.06 2.48 1.55 33 A C C 56.22 5.12 11.11 17.89 110.14 83.48 -80.02 146.95 61.30 3.17 35.53 34.20 18.28 9.39 29.04 6.22 0.03 1.69 1.16 34 E H H 120.97 3.38 13.34 17.60 96.96 -91.51 -68.35 -32.72 42.53 1.91 55.56 12.08 9.54 21.63 49.18 5.59 0.14 1.18 0.67 35 G H H 30.84 5.99 12.84 20.35 95.32 50.07 -62.71 -35.48 40.36 1.04 58.60 12.32 7.43 21.31 52.51 5.34 0.09 0.58 0.42 36 Q H H 90.53 4.65 13.73 19.67 93.54 57.76 -66.89 -38.51 16.55 0.95 82.51 10.00 3.05 4.96 76.14 4.98 0.02 0.60 0.26 37 R H H 120.89 3.55 14.40 18.87 93.04 52.91 -66.92 -39.00 11.52 1.40 87.08 6.43 1.97 4.22 80.45 5.50 0.03 1.14 0.25 38 R H H 118.01 3.69 14.65 19.26 93.15 51.98 -66.98 -39.14 11.29 1.63 87.08 5.70 1.87 4.62 79.98 6.07 0.04 1.44 0.26 39 Y H H 103.80 4.88 13.11 19.47 93.63 51.21 -68.04 -37.85 13.66 1.56 84.78 6.68 2.47 5.73 77.66 5.84 0.06 1.21 0.35 40 E H H 102.33 3.69 13.64 18.42 93.44 54.82 -66.70 -38.16 18.62 1.20 80.19 8.95 3.10 7.58 73.41 5.77 0.06 0.78 0.34 41 R H H 142.70 2.87 13.15 16.97 93.58 52.83 -69.72 -31.82 24.17 0.99 74.84 9.02 3.88 11.93 67.40 6.75 0.09 0.57 0.35 42 K H H 128.04 3.37 12.44 16.96 94.50 54.84 -76.39 -20.35 34.62 1.29 64.09 12.45 5.90 16.88 57.93 5.54 0.08 0.68 0.53 43 N C H 102.39 4.19 11.40 16.89 101.05 57.47 -87.92 0.17 56.67 2.14 41.18 25.28 9.78 22.17 36.36 4.36 0.05 0.99 1.01 44 V C C 96.92 3.54 10.89 15.98 113.56 102.26 -92.78 134.34 76.44 3.68 19.88 34.86 18.53 23.49 16.20 3.44 0.05 1.56 1.87 45 G C C 47.97 3.13 10.52 15.21 117.85 -63.83 100.14 -176.14 89.83 3.17 7.00 40.56 21.47 28.61 2.97 3.38 0.01 1.59 1.40 46 Y C C 168.12 2.67 8.94 13.22 110.70 -68.24 -94.23 120.06 83.74 6.96 9.31 43.65 20.14 20.28 2.88 5.95 0.02 3.06 4.01 47 G C T 55.66 1.83 10.30 13.15 111.96 -8.24 74.68 -150.84 86.59 3.12 10.30 25.05 23.22 38.56 1.68 8.40 0.01 1.64 1.43 48 S C T 94.71 1.33 9.78 11.83 101.84 -17.10 -84.36 10.27 87.14 2.86 10.00 27.58 28.16 31.57 1.44 8.54 0.00 1.52 1.19 49 K C C 130.47 3.22 8.41 13.69 117.08 116.11 -92.58 138.77 88.34 6.81 4.85 51.44 31.55 5.40 1.45 3.30 0.00 3.11 3.75 50 R C C 170.30 2.04 10.26 13.83 112.37 -121.18 -79.69 138.57 89.48 7.99 2.53 68.93 17.00 3.03 1.27 1.29 0.00 3.81 4.68 51 K C C 130.96 4.14 8.57 14.70 117.44 -111.26 -83.62 138.68 92.77 4.21 3.02 76.68 14.34 1.71 2.05 1.06 0.00 2.27 1.90 52 P C C 83.76 4.97 9.13 16.01 111.90 -107.10 -67.97 147.76 81.18 5.85 12.96 69.16 6.18 5.49 7.25 5.79 0.00 3.54 2.61 53 E C C 144.56 2.04 10.08 13.53 107.08 -127.28 -82.77 123.87 68.18 7.51 24.32 46.20 13.36 8.55 13.23 11.28 0.02 4.86 2.49 54 Q C C 123.48 3.51 8.64 14.00 113.72 -134.22 -90.99 127.65 61.49 9.33 29.18 43.84 10.16 7.37 16.29 13.25 0.03 6.56 2.50 55 K C C 139.36 3.33 9.30 14.56 113.10 -157.67 -94.54 127.06 64.25 6.86 28.89 47.46 9.46 7.07 17.10 12.16 0.01 4.93 1.81 56 R C C 152.88 3.70 9.76 15.37 114.56 -151.89 -95.50 134.14 67.39 6.27 26.34 44.62 13.06 9.68 16.64 9.84 0.02 4.15 1.99 57 F C C 140.88 3.89 10.52 16.11 112.22 -151.92 -93.69 126.45 68.77 6.62 24.61 45.71 14.15 9.06 16.63 7.89 0.04 3.82 2.70 58 A C C 61.87 6.57 9.22 17.30 114.91 -140.15 -91.41 138.60 74.56 4.89 20.56 52.47 13.77 8.26 13.97 6.72 0.01 2.76 2.04 59 K C C 135.31 3.80 11.21 16.71 111.47 -132.72 -90.84 128.24 74.79 5.97 19.24 49.03 14.71 11.02 11.38 7.81 0.02 3.29 2.74 60 T C C 94.60 3.98 11.50 16.94 106.61 -151.59 -92.63 35.71 76.87 6.71 16.42 39.09 22.18 16.69 8.21 7.38 0.04 3.59 2.81 61 T C C 74.93 6.62 11.50 19.53 113.66 60.58 -98.14 128.52 81.56 8.59 9.85 46.00 20.76 15.60 4.16 5.24 0.02 5.33 2.89 62 K C C 121.78 5.93 13.70 21.04 111.06 -143.81 -93.43 124.54 87.72 11.25 1.03 57.64 27.91 2.72 0.35 0.66 0.00 9.07 1.66 63 K C C 98.01 9.43 13.95 24.27 121.05 -140.61 -99.25 140.22 69.90 29.83 0.26 58.20 9.72 0.96 0.06 0.21 0.00 29.72 1.13 64 Q E E 60.41 11.50 15.82 28.46 122.76 -149.04 -110.70 138.39 16.08 83.90 0.03 15.28 0.71 0.05 0.01 0.02 0.00 83.14 0.80 65 T E E 42.86 11.19 18.18 30.66 121.76 -154.06 -111.45 135.67 6.25 93.74 0.00 5.91 0.20 0.01 0.00 0.00 0.00 93.80 0.09 66 L E E 22.57 17.27 16.90 35.03 119.18 -149.90 -105.00 132.40 1.48 98.52 0.00 1.45 0.02 0.00 0.00 0.00 0.00 98.52 0.01 67 V E E 48.36 9.76 22.12 33.00 116.69 -149.61 -103.79 125.20 0.53 99.47 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 68 L E E 14.63 20.13 16.15 36.58 123.31 -167.68 -112.97 137.94 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 69 K E E 88.69 6.68 22.13 29.54 119.28 -149.59 -107.20 131.15 0.83 99.17 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.07 0.07 70 C E E 11.70 18.14 10.24 29.23 109.36 -127.51 -77.59 122.27 32.06 67.92 0.02 31.71 0.46 0.03 0.00 0.01 0.00 67.20 0.58 71 Q C T 122.16 2.94 16.31 20.37 94.03 -159.11 -70.92 -28.13 99.46 0.20 0.34 0.30 6.30 92.93 0.01 0.30 0.00 0.12 0.04 72 K C T 141.55 2.06 15.04 17.55 97.96 46.56 -78.10 -40.70 99.63 0.06 0.31 0.08 2.77 96.89 0.01 0.22 0.00 0.02 0.02 73 C C T 62.37 5.75 12.45 19.88 101.80 21.30 -105.16 -10.14 99.76 0.07 0.17 0.37 2.62 96.82 0.01 0.14 0.00 0.03 0.01 74 S C C 78.93 3.77 13.87 19.32 94.65 -124.13 69.74 18.85 98.53 1.28 0.18 77.65 4.68 16.14 0.04 0.15 0.00 1.03 0.30 75 Y C C 99.07 6.54 13.85 22.30 120.13 140.58 -84.24 147.34 88.89 11.10 0.01 88.34 0.78 0.04 0.00 0.01 0.00 10.55 0.27 76 T E E 67.56 11.40 14.27 26.39 125.06 -153.14 -117.55 139.95 1.55 98.45 0.00 1.57 0.02 0.00 0.00 0.00 0.00 98.28 0.12 77 I E E 59.56 10.63 17.60 29.42 127.89 -173.57 -129.29 142.38 0.28 99.72 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.01 78 V E E 71.47 11.46 16.58 28.57 116.88 -134.23 -97.67 130.38 4.24 95.76 0.00 4.06 0.11 0.01 0.00 0.00 0.00 95.71 0.11 79 K E E 66.12 13.46 14.86 28.77 122.28 -166.33 -109.36 142.61 43.80 56.07 0.13 39.26 2.60 0.35 0.01 0.12 0.00 57.35 0.30 80 E C E 128.71 4.23 19.91 25.03 113.36 -118.98 -81.27 137.06 53.91 45.68 0.41 36.08 13.14 3.91 0.03 0.45 0.00 45.89 0.49 81 G C E 20.07 12.96 18.59 31.63 122.30 9.02 113.35 19.56 52.50 47.15 0.34 39.05 9.15 2.87 0.04 0.36 0.00 47.97 0.56 82 M E E 34.56 17.67 19.13 36.62 122.44 -119.61 -110.24 138.70 22.91 76.98 0.11 20.66 1.57 0.22 0.03 0.09 0.00 75.80 1.62 83 R E E 77.02 12.25 24.26 36.42 121.11 -151.60 -107.03 137.39 13.95 85.95 0.10 12.22 1.10 0.17 0.04 0.07 0.00 83.53 2.86 84 L E E 15.31 22.59 15.45 37.90 115.28 -137.28 -90.03 132.24 25.03 74.62 0.35 24.26 0.89 0.21 0.12 0.22 0.00 73.07 1.23 85 K E E 98.76 6.58 21.70 28.94 100.40 176.90 -92.32 -33.92 36.63 62.91 0.45 16.04 18.57 2.65 0.04 0.51 0.00 61.82 0.37 86 K E E 92.75 5.37 24.10 30.14 137.85 0.87 -154.21 149.29 26.15 73.36 0.49 15.89 8.06 2.07 0.03 0.57 0.00 73.10 0.28 87 L E E 31.06 22.88 12.50 34.32 125.93 -162.81 -128.99 134.89 16.72 83.14 0.14 15.81 0.70 0.10 0.03 0.08 0.00 83.05 0.23 88 E E E 89.24 5.32 23.18 28.90 123.17 -169.57 -121.74 133.61 9.07 90.88 0.05 8.49 0.30 0.05 0.02 0.02 0.00 90.84 0.28 89 L E E 67.62 14.09 12.74 27.12 115.98 -139.67 -92.97 128.37 10.68 89.27 0.04 10.13 0.30 0.04 0.02 0.02 0.00 89.12 0.37 90 V E E 68.87 6.89 13.16 21.87 123.22 -171.55 -115.23 144.51 35.23 64.71 0.06 35.27 0.40 0.07 0.02 0.02 0.00 63.56 0.65 91 E C C 140.41 2.90 14.52 18.87 112.93 -109.19 -82.36 134.02 98.58 1.42 0.00 98.63 0.09 0.01 0.00 0.00 0.00 1.24 0.02