# 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 112.21 5.76 12.98 20.26 115.81 -158.17 -98.14 130.43 99.35 0.55 0.11 99.34 0.14 0.08 0.07 0.01 0.00 0.30 0.06 1 L C C 99.61 6.55 9.47 17.54 114.37 -150.06 -93.65 130.94 70.37 12.91 16.71 63.06 1.82 4.83 14.96 2.31 0.00 10.37 2.65 2 N C C 107.42 3.45 10.61 15.71 113.55 -149.25 -93.93 125.48 62.14 16.58 21.27 43.65 9.42 7.58 19.12 3.46 0.03 14.97 1.77 3 Q C H 119.07 4.53 10.73 16.88 106.16 -153.36 -91.16 68.16 44.45 20.77 34.77 28.93 8.26 6.37 30.78 4.23 0.05 19.95 1.42 4 V H H 79.85 7.54 10.46 19.36 113.53 93.28 -96.48 123.49 32.12 27.70 40.19 21.51 5.08 4.55 35.65 4.10 0.05 27.79 1.27 5 E H H 111.65 5.13 14.23 20.62 113.25 -148.81 -94.32 126.33 26.94 33.08 39.98 18.21 3.61 3.69 35.69 3.86 0.04 33.80 1.11 6 V H E 66.23 9.82 12.61 23.44 114.41 -152.28 -99.43 129.52 23.98 36.56 39.46 15.70 3.30 3.52 36.12 3.50 0.05 36.66 1.15 7 L E E 76.31 9.77 13.26 23.97 113.30 -147.62 -95.66 124.74 25.30 37.84 36.86 15.99 3.70 4.13 34.05 3.41 0.06 37.42 1.23 8 R E E 127.11 7.06 14.77 22.89 114.00 -155.30 -98.40 128.01 27.97 40.23 31.80 16.88 4.62 5.09 29.45 3.41 0.09 39.17 1.30 9 E E E 99.59 8.36 13.96 23.24 115.52 -155.94 -99.55 131.18 27.83 45.57 26.60 17.35 4.64 4.57 24.52 3.24 0.07 44.35 1.25 10 E E E 97.04 8.06 14.26 23.43 115.42 -158.50 -97.26 129.68 24.90 53.05 22.05 15.91 3.86 3.91 20.44 2.96 0.06 51.59 1.26 11 Y E E 111.96 9.47 12.53 22.96 116.39 -154.37 -102.08 130.13 24.08 57.87 18.04 15.73 3.61 3.81 16.53 2.81 0.08 56.02 1.42 12 V E E 64.44 8.87 11.66 22.00 117.18 -162.34 -112.37 127.47 29.18 53.52 17.30 17.33 5.33 6.48 15.75 3.10 0.15 49.68 2.19 13 E C T 145.03 2.68 14.52 18.12 102.74 -69.82 -51.49 86.68 64.54 19.04 16.42 12.92 9.11 41.57 13.99 3.50 0.19 17.11 1.62 14 G C T 47.37 4.91 14.88 20.70 99.74 -19.25 84.54 -0.98 78.28 9.21 12.51 13.40 12.34 51.92 9.53 3.15 0.05 8.65 0.95 15 Y E E 82.88 11.33 13.22 25.55 121.96 104.93 -109.95 142.71 32.97 56.06 10.97 17.48 8.92 8.72 8.48 2.74 0.11 51.61 1.94 16 V E E 52.39 10.84 17.26 29.30 117.99 -146.13 -105.01 131.35 16.15 75.09 8.76 10.97 3.05 1.97 8.39 1.40 0.01 73.10 1.12 17 V E E 32.35 15.82 16.56 33.01 120.92 -160.62 -109.89 133.82 11.65 78.05 10.30 8.22 1.57 1.17 9.29 1.40 0.00 77.82 0.52 18 Q E E 61.64 11.39 20.58 32.52 120.45 -156.58 -107.82 133.17 10.89 78.36 10.75 7.67 1.47 1.22 9.33 1.57 0.01 78.25 0.48 19 M E E 45.04 15.55 17.42 33.18 121.97 -158.30 -111.24 134.07 14.17 73.93 11.89 10.08 2.10 1.74 9.82 2.12 0.02 73.43 0.68 20 W E E 78.64 12.24 17.38 30.50 119.53 -160.24 -108.19 135.76 20.58 67.92 11.50 14.46 3.70 2.97 8.89 2.78 0.06 65.90 1.26 21 R E E 98.58 10.39 15.92 27.07 118.64 -152.59 -103.84 134.46 35.43 56.04 8.53 24.30 7.26 5.01 5.81 2.85 0.11 52.70 1.95 22 R C C 124.08 7.91 13.82 22.86 110.04 -142.58 -87.57 110.89 62.41 31.95 5.64 34.49 21.74 7.58 3.25 2.31 0.19 27.50 2.94 23 N C C 75.04 6.32 11.43 19.45 114.27 -151.90 -104.67 116.64 89.08 9.89 1.03 62.02 23.72 3.58 0.37 0.68 0.00 7.71 1.92 24 P C T 97.29 4.17 10.17 16.24 95.69 -137.22 -65.91 -20.49 90.65 1.54 7.81 23.09 13.61 53.33 0.76 7.76 0.00 0.99 0.46 25 S C T 89.67 1.38 11.56 13.16 98.84 57.52 -84.16 -3.91 91.16 1.21 7.63 10.33 15.30 64.57 0.67 7.88 0.00 0.79 0.45 26 N C T 107.97 4.26 12.06 17.77 103.91 -84.95 -88.77 37.89 86.25 5.38 8.36 25.57 28.78 32.20 0.78 7.92 0.00 3.27 1.49 27 A C C 47.60 8.23 11.71 21.53 117.46 148.80 -94.11 139.63 90.29 9.06 0.65 58.26 31.31 1.46 0.26 0.41 0.00 6.61 1.70 28 P C C 63.02 9.14 14.90 25.15 113.42 -108.99 -68.34 146.72 80.98 17.84 1.18 68.14 9.65 2.17 0.43 0.74 0.00 17.10 1.76 29 V E E 59.86 11.27 15.37 27.53 118.54 -143.26 -105.08 134.30 29.98 67.41 2.60 23.34 5.93 1.75 1.57 1.22 0.01 63.79 2.40 30 I E E 53.65 13.92 15.46 29.95 119.22 -154.12 -108.89 129.64 16.11 81.09 2.81 13.20 2.23 0.87 1.65 0.97 0.00 80.27 0.80 31 E E E 82.94 10.53 19.71 30.58 120.50 -154.91 -108.53 132.31 13.53 83.15 3.31 10.77 1.84 0.94 1.64 1.09 0.00 83.22 0.49 32 V E E 44.63 14.16 17.70 32.25 119.25 -157.42 -107.26 129.54 18.60 77.99 3.41 15.20 2.30 1.04 1.97 1.12 0.00 77.53 0.85 33 F E E 42.28 15.40 15.62 31.63 120.32 -161.77 -110.14 136.19 35.93 61.79 2.28 30.10 4.21 1.15 1.37 0.92 0.01 60.38 1.86 34 T C C 45.67 7.72 17.52 26.58 126.24 -156.80 -107.28 162.67 68.00 29.15 2.85 54.33 10.84 2.20 1.88 1.15 0.00 27.53 2.08 35 E H H 117.30 6.48 13.89 21.77 93.16 -104.30 -61.34 -33.65 43.30 4.46 52.24 10.81 10.97 21.48 33.06 18.61 0.64 3.16 1.27 36 D H H 108.04 1.68 16.43 17.64 94.38 56.30 -71.54 -27.48 43.99 2.33 53.68 8.14 8.86 25.77 33.71 20.71 0.39 1.52 0.90 37 N H H 50.28 11.36 12.25 24.39 98.75 52.85 -86.00 -12.74 37.91 5.67 56.42 15.63 7.79 14.99 33.65 22.36 0.25 3.79 1.54 38 L H H 59.92 13.55 10.50 23.82 97.64 72.80 -73.18 -28.50 40.44 8.37 51.20 24.01 7.65 10.39 37.58 12.15 0.21 5.87 2.15 39 E H H 136.59 2.38 14.20 17.41 98.43 63.03 -75.65 -20.30 45.13 9.58 45.29 20.11 8.95 17.26 33.09 10.85 0.48 6.91 2.35 40 E C T 125.16 3.41 13.84 18.27 99.87 57.07 -86.33 0.89 62.37 4.98 32.64 12.38 12.24 36.94 22.78 10.27 0.37 3.34 1.67 41 G C T 42.12 7.06 14.32 22.46 104.35 -101.00 82.11 9.24 79.05 7.90 13.05 22.68 16.83 40.50 7.89 4.75 0.06 5.80 1.50 42 I C C 74.12 10.04 14.04 25.10 112.00 131.63 -94.37 118.59 62.45 29.23 8.32 40.98 15.65 5.65 6.05 2.76 0.17 18.29 10.45 43 I C C 61.91 12.02 14.45 27.31 115.95 -153.72 -98.27 127.60 71.66 20.76 7.58 56.63 11.79 2.59 5.83 2.00 0.06 18.30 2.79 44 P C C 54.21 11.03 15.24 27.20 109.97 -122.61 -68.59 144.95 66.47 18.37 15.15 54.85 6.24 4.71 8.56 6.19 0.01 17.75 1.67 45 E C C 115.61 6.99 16.69 24.33 103.66 -129.41 -77.28 10.48 50.21 26.84 22.95 25.75 16.07 10.48 12.10 10.04 0.25 22.86 2.46 46 Y E E 121.04 8.34 15.84 24.80 109.06 54.46 -92.59 102.39 35.66 43.02 21.33 23.41 7.53 7.09 12.71 8.61 0.16 37.57 2.92 47 V E E 50.59 14.27 12.67 26.94 113.89 91.39 -99.32 124.40 39.75 47.20 13.05 30.25 5.64 3.65 9.77 3.84 0.07 43.72 3.06 48 T C C 71.96 7.15 16.50 24.51 114.62 -152.78 -100.27 131.81 52.12 40.04 7.84 40.06 6.87 4.25 5.84 2.53 0.03 37.22 3.19 49 A C C 56.00 9.99 12.34 23.02 106.12 -138.27 -85.48 59.01 70.33 21.61 8.06 41.28 19.24 10.12 5.31 2.92 0.05 18.58 2.50 50 N C C 93.35 4.52 14.25 19.87 109.79 78.37 -90.81 101.77 84.34 7.13 8.52 49.35 22.69 12.64 5.83 2.81 0.01 5.09 1.58 51 D C H 93.75 5.66 12.58 19.55 98.09 -117.45 -71.82 -19.23 56.51 2.33 41.17 21.50 17.34 19.05 32.97 6.91 0.11 1.21 0.91 52 D C H 100.05 2.90 14.91 18.38 97.19 62.48 -75.01 -25.10 50.28 2.05 47.67 15.93 12.02 23.70 39.52 6.72 0.16 1.20 0.76 53 T H H 51.15 8.32 14.19 23.79 97.72 57.75 -77.06 -30.80 39.94 3.39 56.67 20.79 7.69 13.63 48.37 6.21 0.12 2.23 0.97 54 F H H 62.95 13.16 13.20 26.74 94.20 66.71 -65.00 -40.55 14.65 1.71 83.64 9.49 3.06 4.11 78.70 2.99 0.03 1.31 0.31 55 D H H 87.08 3.79 18.62 22.87 93.01 53.82 -65.93 -39.00 10.06 2.07 87.87 6.60 1.80 3.28 83.55 2.56 0.03 1.89 0.30 56 R H H 119.33 4.59 19.29 24.18 92.81 50.37 -67.07 -39.88 7.11 3.27 89.62 4.25 1.31 2.65 85.34 2.80 0.05 3.24 0.35 57 I H H 38.84 13.87 16.65 30.98 92.87 50.01 -66.33 -42.54 5.53 3.91 90.56 3.19 1.05 2.06 87.52 1.98 0.06 3.77 0.36 58 V H H 49.10 10.33 18.18 29.34 92.29 49.96 -64.46 -42.45 6.80 4.01 89.19 3.88 1.05 2.59 86.62 1.57 0.06 3.81 0.40 59 D H H 78.66 3.47 20.54 23.89 92.33 49.93 -65.44 -40.43 11.58 3.75 84.67 6.09 1.45 4.58 82.24 1.57 0.05 3.59 0.46 60 A H H 38.63 7.85 17.92 27.01 92.63 51.41 -66.10 -40.49 13.22 2.83 83.95 6.37 1.83 5.81 81.23 1.72 0.07 2.51 0.47 61 V H H 43.16 12.70 16.72 29.74 94.09 49.25 -69.08 -39.28 17.15 3.11 79.74 7.92 2.49 7.41 77.26 1.71 0.09 2.50 0.61 62 E H H 94.23 6.95 18.30 25.79 93.48 51.58 -67.12 -38.00 24.72 2.89 72.40 9.56 3.34 11.90 70.32 1.98 0.06 2.21 0.62 63 F H H 114.21 4.06 17.84 22.18 94.92 50.36 -70.58 -35.33 34.69 3.21 62.10 11.06 5.40 18.70 58.43 3.17 0.14 2.37 0.74 64 G H H 27.93 6.88 16.51 24.63 96.15 51.97 -65.54 -37.77 40.75 3.31 55.94 14.81 5.82 20.64 51.86 3.63 0.10 2.44 0.71 65 Y H H 82.76 8.80 15.39 25.20 94.90 53.25 -67.71 -39.09 28.83 5.21 65.97 15.88 4.64 9.74 59.71 4.72 0.08 4.42 0.81 66 L H H 68.83 7.22 14.21 22.81 93.62 52.99 -66.73 -38.89 18.00 5.47 76.52 10.80 3.20 5.58 68.27 6.22 0.07 5.20 0.65 67 E H H 110.74 2.56 15.16 18.08 93.37 53.91 -66.72 -38.76 17.25 5.76 76.99 9.41 2.96 6.10 68.07 7.18 0.07 5.61 0.59 68 E H H 107.84 3.69 13.59 18.23 93.91 52.37 -68.59 -34.39 19.10 4.80 76.09 9.07 3.08 7.79 67.53 7.31 0.08 4.54 0.59 69 L H H 83.27 6.82 10.28 18.29 95.90 55.71 -75.60 -25.03 26.37 4.96 68.67 12.47 4.33 10.73 61.02 6.22 0.09 4.35 0.79 70 E H H 133.64 2.59 11.09 14.84 98.02 65.59 -74.71 -15.51 42.36 6.36 51.28 18.05 5.48 19.35 46.38 4.54 0.09 4.77 1.33 71 L C C 119.40 2.33 9.11 12.86 102.62 75.61 -81.76 2.78 60.59 3.57 35.85 36.59 1.93 20.10 34.97 2.93 0.01 2.17 1.30 72 V C C 93.76 5.07 10.55 17.15 107.26 92.14 -89.04 82.91 99.70 0.15 0.15 99.41 0.15 0.21 0.11 0.01 0.00 0.09 0.02