# 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 103.31 7.25 13.39 21.77 118.65 -134.10 -100.26 134.37 99.93 0.06 0.01 99.60 0.34 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 72.71 6.86 11.08 19.55 116.39 -106.86 -68.96 150.56 99.41 0.21 0.38 98.59 0.44 0.53 0.16 0.08 0.00 0.07 0.13 2 P C C 85.88 4.93 11.00 17.58 112.13 -101.86 -67.40 147.06 92.51 1.45 6.04 79.08 5.85 7.84 2.36 3.19 0.00 0.63 1.04 3 K C C 130.60 5.07 9.51 16.06 109.64 -117.91 -79.10 124.69 77.49 5.86 16.65 54.62 11.26 10.87 6.70 10.03 0.01 2.72 3.80 4 K C C 142.21 3.12 10.65 15.29 104.64 -123.20 -80.81 13.76 70.09 4.44 25.47 39.36 16.26 15.14 9.55 15.28 0.02 2.49 1.91 5 D C C 97.42 3.77 10.59 15.78 105.96 69.91 -89.69 65.52 71.47 2.85 25.68 46.01 12.27 13.05 10.53 15.24 0.01 1.56 1.33 6 A C C 63.53 6.79 9.76 17.85 105.70 122.42 -81.69 55.69 70.20 2.21 27.59 39.76 13.10 17.16 10.91 16.75 0.01 1.11 1.18 7 K C C 132.37 4.18 11.15 16.92 105.97 72.50 -84.02 73.58 75.89 1.71 22.40 35.90 16.50 24.03 8.58 13.17 0.01 0.79 1.01 8 K C C 137.08 3.93 11.53 16.89 108.61 81.79 -88.13 88.93 81.20 1.96 16.85 42.38 22.22 16.99 6.58 9.65 0.01 0.82 1.35 9 D C C 74.77 6.53 10.26 18.49 114.91 -129.44 -93.83 126.47 93.86 1.28 4.86 59.21 31.46 3.26 3.05 1.63 0.00 0.46 0.93 10 P C C 86.56 5.25 11.68 18.56 101.97 -129.12 -67.18 4.64 81.34 1.19 17.47 56.32 10.11 14.88 9.10 8.27 0.00 0.61 0.70 11 K C C 125.47 4.91 11.78 18.07 105.01 60.81 -82.49 44.42 74.64 2.70 22.66 48.05 11.71 14.75 11.57 11.01 0.01 1.33 1.56 12 K C C 119.79 5.71 11.89 18.96 105.70 62.19 -79.86 26.66 70.35 2.85 26.80 42.42 14.94 13.03 14.93 11.73 0.01 1.35 1.59 13 D C C 91.93 5.15 12.83 19.17 103.68 59.48 -81.53 33.50 72.29 2.12 25.59 44.24 14.03 14.14 15.51 9.91 0.01 1.03 1.13 14 A C C 61.85 6.72 11.65 19.62 102.36 77.97 -78.54 -1.32 75.22 1.78 23.00 48.63 13.52 13.06 14.55 8.34 0.00 0.83 1.06 15 K C C 128.21 4.58 13.44 19.37 102.61 74.18 -83.05 7.12 74.71 2.02 23.27 46.95 13.62 14.23 14.97 8.05 0.01 0.90 1.27 16 G C C 38.22 7.80 12.54 21.31 107.96 52.80 -64.29 -15.28 76.38 1.78 21.84 47.41 13.51 15.53 12.42 9.22 0.00 0.84 1.07 17 A C C 66.14 6.45 12.87 20.48 105.46 13.13 -80.09 94.04 76.52 2.53 20.95 51.41 14.36 10.63 11.81 9.13 0.00 1.24 1.42 18 K C C 127.40 4.75 12.88 19.05 110.95 -114.34 -83.57 129.88 79.16 3.32 17.51 56.19 13.66 9.03 10.63 6.93 0.00 1.62 1.94 19 K C C 130.66 5.27 12.79 19.64 110.53 -115.39 -79.88 132.26 82.36 2.84 14.80 53.44 14.70 14.21 8.58 6.06 0.00 1.39 1.62 20 G C C 43.06 7.15 11.90 20.16 110.85 -86.08 -71.07 116.54 86.54 1.99 11.47 56.62 13.82 15.99 5.65 5.80 0.00 1.01 1.11 21 K C C 134.49 4.54 12.89 18.81 105.55 -131.06 -81.94 54.33 82.44 2.94 14.62 49.31 19.42 13.80 6.93 7.43 0.00 1.37 1.74 22 D C C 92.38 4.82 12.79 18.95 107.72 70.10 -88.68 107.68 82.57 2.75 14.69 49.92 19.46 13.22 6.59 7.96 0.00 1.33 1.52 23 S C C 61.78 7.98 11.65 20.72 104.51 -127.83 -72.53 37.94 78.99 3.06 17.95 49.32 13.90 15.81 6.98 10.83 0.00 1.59 1.57 24 K C C 125.79 5.67 13.43 20.30 104.97 107.47 -83.65 37.59 78.65 4.88 16.48 43.11 17.03 19.11 6.04 9.83 0.01 2.50 2.36 25 S C C 67.47 6.60 12.31 20.12 105.55 79.10 -86.85 59.81 82.46 4.39 13.15 46.52 18.73 17.52 4.59 8.24 0.01 2.24 2.15 26 S C C 71.87 5.82 12.46 19.57 104.99 137.76 -86.91 26.95 84.83 3.18 11.98 44.93 19.46 20.87 4.02 7.51 0.00 1.59 1.61 27 G C C 45.84 5.57 12.82 19.66 108.85 11.90 4.50 10.27 85.10 2.83 12.07 38.03 23.50 24.28 4.34 7.00 0.01 1.28 1.55 28 G C C 44.41 5.89 12.57 19.72 110.17 33.25 -9.01 -26.04 81.95 2.21 15.83 33.98 27.61 21.20 7.42 7.48 0.01 0.93 1.37 29 G C C 42.69 5.60 12.84 19.69 110.37 37.27 38.42 -118.71 73.74 2.29 23.97 36.01 22.18 16.38 14.31 8.78 0.02 0.98 1.34 30 K C C 131.69 4.16 13.17 18.54 103.45 2.94 -81.36 15.79 56.02 3.56 40.42 32.29 13.26 11.79 27.70 11.54 0.05 1.82 1.54 31 A C H 58.92 6.51 11.39 19.28 104.13 60.83 -75.32 -12.36 49.09 3.12 47.79 29.05 10.31 10.93 33.56 13.21 0.05 1.78 1.12 32 K H H 125.40 4.92 12.67 18.87 105.03 56.85 -79.06 41.49 48.31 3.04 48.64 29.37 9.73 10.29 35.37 12.37 0.04 1.78 1.05 33 K C H 125.47 5.39 11.45 18.14 105.75 61.82 -81.25 68.12 51.24 2.82 45.94 33.05 9.27 9.75 34.53 10.73 0.03 1.55 1.08 34 K C C 127.22 4.80 11.38 17.70 109.24 67.03 -84.74 110.18 57.43 2.33 40.25 35.05 11.05 11.96 30.83 8.91 0.02 1.21 0.97 35 K C C 142.37 3.01 12.35 16.74 109.14 -136.28 -87.93 105.99 61.58 2.94 35.48 36.00 12.58 13.45 26.82 8.36 0.03 1.52 1.25 36 W C C 131.61 8.49 9.85 19.33 114.11 -148.45 -92.98 132.04 66.04 3.18 30.78 39.14 15.08 11.99 24.56 6.24 0.03 1.52 1.43 37 S C C 61.90 5.30 11.73 18.49 114.76 -138.71 -89.38 141.14 74.18 2.22 23.60 51.55 11.25 10.31 20.37 4.35 0.00 1.09 1.07 38 K C H 142.49 3.49 12.30 17.40 100.03 -130.83 -73.75 -12.18 54.85 1.28 43.87 19.06 14.39 22.39 38.45 4.45 0.07 0.56 0.63 39 G C H 40.87 4.37 13.15 18.75 102.36 47.30 -43.83 -42.02 50.11 1.02 48.87 17.81 13.07 20.20 43.96 3.99 0.06 0.46 0.47 40 K H H 116.14 3.75 14.49 19.15 95.71 51.35 -69.69 -35.25 28.01 1.38 70.61 17.85 5.35 6.47 65.42 3.69 0.02 0.80 0.40 41 V H H 57.60 8.61 13.57 23.47 94.48 54.16 -67.36 -40.36 15.66 1.58 82.76 10.06 2.79 4.29 77.90 3.45 0.02 1.19 0.30 42 R H H 106.95 7.90 15.38 24.22 93.72 53.17 -66.08 -39.63 9.65 1.13 89.22 5.83 1.64 3.18 84.12 4.05 0.02 0.99 0.17 43 E H H 95.01 5.06 16.78 22.79 93.16 52.36 -66.14 -39.36 8.29 0.93 90.77 4.42 1.30 3.24 84.92 5.11 0.02 0.84 0.14 44 K H H 100.37 6.98 17.34 25.07 93.01 52.23 -67.42 -37.14 9.46 0.86 89.68 4.00 1.40 4.50 82.88 6.30 0.03 0.72 0.17 45 L H H 52.74 12.94 15.35 28.57 93.95 52.98 -71.09 -32.23 13.95 0.69 85.35 5.11 2.08 7.27 77.85 6.96 0.06 0.46 0.22 46 H H H 98.75 9.16 17.71 27.27 95.77 57.78 -74.02 -19.48 30.84 0.55 68.61 4.90 3.39 22.55 62.83 5.65 0.13 0.30 0.26 47 N C T 82.36 8.31 17.68 26.53 99.07 56.02 -91.27 9.01 58.14 0.76 41.10 9.19 7.21 40.80 36.70 5.24 0.07 0.37 0.43 48 A C C 45.27 11.94 16.07 28.38 111.88 119.38 -84.98 122.38 67.57 9.16 23.27 35.11 18.36 14.58 16.38 6.79 0.17 4.45 4.17 49 V C C 57.63 13.46 16.70 30.23 113.50 -145.70 -94.66 121.17 66.79 16.00 17.21 40.35 14.06 12.68 10.35 6.92 0.16 10.15 5.33 50 M C C 81.99 11.00 19.62 30.64 105.61 -155.90 -91.77 59.49 72.29 15.14 12.57 42.82 19.24 10.63 7.02 5.61 0.09 10.06 4.53 51 W C C 45.52 20.41 12.15 31.41 119.30 94.45 -100.42 135.06 83.72 11.60 4.68 54.52 26.49 3.08 3.31 1.55 0.01 5.64 5.40 52 E C C 98.54 4.92 18.85 24.15 115.55 -120.70 -77.12 148.49 96.59 1.87 1.54 93.78 2.58 0.40 1.38 0.19 0.00 1.02 0.65 53 K H H 129.30 5.68 13.89 21.42 92.27 -113.44 -58.02 -38.89 1.75 0.00 98.24 0.29 0.22 1.02 98.21 0.26 0.00 0.00 0.00 54 V H H 90.20 1.94 17.98 19.10 92.04 52.62 -64.71 -40.30 1.23 0.00 98.77 0.16 0.09 0.86 98.48 0.40 0.00 0.00 0.00 55 I H H 33.34 12.64 15.83 29.60 92.19 48.36 -66.12 -41.06 0.56 0.00 99.44 0.11 0.04 0.34 99.14 0.37 0.00 0.00 0.00 56 R H H 31.70 19.18 14.59 33.45 91.74 52.45 -62.47 -42.40 0.24 0.00 99.76 0.05 0.02 0.12 99.72 0.09 0.00 0.00 0.00 57 D H H 75.85 4.03 21.20 25.37 91.38 50.88 -63.43 -40.80 0.35 0.00 99.65 0.06 0.02 0.20 99.67 0.06 0.00 0.00 0.00 58 K H H 102.31 3.74 21.90 25.46 91.55 50.44 -64.63 -40.86 0.43 0.00 99.57 0.04 0.02 0.30 99.54 0.09 0.00 0.00 0.00 59 L H H 7.34 21.95 15.97 38.14 91.98 49.77 -64.34 -42.46 0.41 0.00 99.59 0.04 0.02 0.29 99.48 0.16 0.00 0.00 0.00 60 Y H H 63.65 16.42 17.42 33.30 91.65 51.91 -64.58 -37.52 1.34 0.00 98.66 0.08 0.07 1.13 98.05 0.67 0.00 0.00 0.00 61 S H H 78.50 1.77 21.81 22.31 92.78 51.23 -70.51 -34.54 8.61 0.01 91.39 0.13 0.22 8.76 89.96 0.91 0.01 0.00 0.00 62 E H H 84.71 8.34 18.89 27.72 96.09 44.21 -80.38 -32.63 15.79 0.03 84.18 0.28 1.02 14.83 83.08 0.72 0.04 0.01 0.02 63 V C C 9.28 21.62 11.88 33.45 104.41 35.91 -118.14 47.52 90.29 0.75 8.96 49.80 35.18 5.47 6.25 2.25 0.00 0.20 0.85 64 P C T 69.19 9.65 16.40 27.22 92.77 126.94 -64.90 -25.07 92.21 0.26 7.53 12.02 4.50 75.26 0.66 7.30 0.00 0.15 0.12 65 K C T 151.61 1.98 20.18 21.81 94.74 50.96 -91.87 -1.89 92.26 0.25 7.49 4.08 6.13 81.01 0.36 8.15 0.00 0.15 0.11 66 Y C C 50.00 18.80 11.47 29.59 117.15 103.76 -84.50 137.77 96.97 1.67 1.36 88.09 7.73 1.21 0.26 1.15 0.00 0.80 0.78 67 K C S 115.22 6.94 21.96 29.87 95.45 -162.55 -80.85 -28.47 98.41 1.45 0.14 12.28 83.57 2.76 0.01 0.12 0.00 1.06 0.20 68 V E E 36.02 15.53 21.85 37.15 125.04 31.61 -129.45 131.32 29.94 69.62 0.44 9.60 18.36 4.18 0.13 0.36 0.01 63.09 4.27 69 I E E 7.86 24.32 20.88 44.95 118.40 -169.29 -116.81 122.49 18.21 81.61 0.17 15.32 2.46 0.13 0.15 0.07 0.00 66.58 15.28 70 T C C 22.55 14.36 27.26 41.88 129.87 -146.01 -112.03 162.01 83.62 16.23 0.15 83.83 1.08 0.06 0.12 0.03 0.00 14.14 0.75 71 V H H 9.95 23.85 20.35 44.28 91.52 -110.44 -59.89 -37.13 3.56 0.02 96.42 0.19 0.29 3.10 95.14 1.24 0.01 0.01 0.00 72 S H H 41.21 10.42 24.36 35.13 91.64 56.31 -63.43 -40.16 1.97 0.02 98.01 0.13 0.14 1.68 96.77 1.27 0.01 0.01 0.00 73 V H H 31.64 11.06 24.02 35.83 92.06 48.95 -65.19 -42.12 1.28 0.04 98.67 0.17 0.14 0.94 97.08 1.62 0.01 0.03 0.01 74 I H H 3.73 24.10 18.85 43.14 92.25 48.88 -64.99 -43.38 1.74 0.12 98.14 0.30 0.28 1.22 97.36 0.72 0.03 0.05 0.03 75 S H H 12.07 16.75 16.99 34.40 91.75 50.91 -63.55 -42.62 2.90 0.13 96.97 0.52 0.45 1.96 96.20 0.72 0.04 0.05 0.05 76 D H H 97.38 2.72 21.46 24.06 92.40 48.17 -65.72 -40.88 3.05 0.03 96.92 0.27 0.24 2.47 95.70 1.27 0.03 0.02 0.01 77 R H H 109.35 9.11 18.48 28.01 92.55 47.25 -68.84 -37.85 5.72 0.03 94.25 0.22 0.44 5.06 93.09 1.13 0.03 0.01 0.02 78 L H H 32.88 16.63 14.40 31.32 95.91 37.07 -96.57 -1.70 20.03 0.08 79.89 1.01 2.63 16.34 78.73 1.16 0.05 0.02 0.06 79 K C T 161.12 1.83 20.63 22.32 93.23 -125.82 57.04 41.32 99.59 0.05 0.36 14.56 4.98 80.15 0.18 0.08 0.00 0.03 0.02 80 V C C 27.92 17.99 12.37 30.18 131.28 133.67 -123.90 154.04 97.70 2.14 0.16 77.58 19.58 0.40 0.10 0.05 0.00 0.66 1.63 81 N C C 94.14 3.99 23.34 27.12 115.62 -98.85 -75.18 145.39 98.81 0.96 0.23 98.27 0.64 0.13 0.13 0.03 0.00 0.30 0.50 82 G H H 20.66 18.59 15.32 32.66 94.65 -123.14 -59.92 -38.46 16.41 0.11 83.48 3.35 4.80 8.44 81.57 1.71 0.03 0.03 0.07 83 S H H 58.58 4.93 24.70 29.76 91.91 60.20 -64.68 -39.35 6.11 0.05 93.84 1.09 0.86 3.95 92.29 1.75 0.01 0.02 0.02 84 L H H 34.74 13.50 23.04 36.70 91.99 50.47 -65.30 -41.11 0.67 0.00 99.32 0.15 0.06 0.36 98.58 0.84 0.00 0.00 0.00 85 A H H 1.20 27.00 17.75 45.46 91.12 51.62 -63.08 -42.99 0.17 0.00 99.83 0.03 0.01 0.08 99.72 0.16 0.00 0.00 0.00 86 R H H 89.92 13.27 25.25 37.71 91.33 51.29 -62.61 -42.33 0.13 0.00 99.87 0.01 0.00 0.08 99.84 0.06 0.00 0.00 0.00 87 E H H 86.21 4.57 28.49 33.48 91.31 49.75 -63.83 -42.38 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 88 A H H 3.94 21.75 22.38 44.12 91.65 50.05 -64.00 -43.30 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 89 L H H 2.22 26.79 20.66 47.72 91.21 50.35 -63.82 -42.14 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 90 K H H 102.66 6.21 26.13 32.78 91.50 51.76 -63.31 -42.35 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 91 V H H 46.79 7.58 23.62 32.00 91.54 49.64 -64.13 -42.55 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 92 L H H 4.02 23.75 16.13 40.40 91.67 49.37 -63.74 -42.86 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 93 H H H 67.36 14.70 17.19 31.43 91.77 50.14 -63.13 -41.91 0.20 0.00 99.80 0.01 0.00 0.15 99.72 0.11 0.00 0.00 0.00 94 A H H 87.62 1.41 19.78 20.38 90.36 52.64 -64.63 -31.53 2.61 0.00 97.38 0.03 0.04 2.75 97.00 0.17 0.00 0.00 0.00 95 E C T 99.40 6.82 16.16 24.25 91.96 52.40 -85.04 -5.09 86.68 0.00 13.31 0.06 0.36 86.42 12.98 0.17 0.00 0.00 0.01 96 G C T 40.59 5.85 19.80 26.66 94.68 -113.08 81.89 14.08 99.91 0.00 0.09 0.08 0.53 99.35 0.03 0.01 0.00 0.00 0.00 97 L C S 18.78 18.57 17.26 36.55 94.91 120.84 -80.16 -26.90 99.63 0.36 0.01 7.46 91.85 0.44 0.00 0.00 0.00 0.21 0.03 98 I E E 2.51 26.15 14.67 42.18 133.26 27.09 -135.69 148.40 12.79 87.21 0.00 7.06 6.54 0.11 0.00 0.00 0.00 85.59 0.69 99 K E E 92.36 7.07 26.52 34.14 124.39 -157.53 -123.07 135.83 1.84 98.16 0.00 1.67 0.07 0.00 0.00 0.00 0.00 98.24 0.03 100 P E E 50.20 17.78 16.70 33.76 110.70 -114.26 -69.32 128.72 0.95 99.05 0.00 0.95 0.01 0.00 0.00 0.00 0.00 99.02 0.01 101 V E E 51.65 11.62 18.16 30.70 101.43 177.21 -97.12 -31.97 2.06 97.94 0.00 1.43 0.33 0.01 0.00 0.00 0.00 98.22 0.01 102 N E E 64.16 6.73 21.18 28.74 139.04 -3.83 -154.43 152.07 0.84 99.16 0.00 0.61 0.11 0.01 0.00 0.00 0.00 99.27 0.01 103 V E E 77.49 13.31 12.65 26.20 123.16 -156.89 -125.24 129.20 2.85 97.14 0.01 2.45 0.18 0.02 0.00 0.00 0.00 97.28 0.06 104 N E E 67.65 6.38 14.02 21.92 126.73 174.07 -124.75 156.41 39.30 60.63 0.07 36.04 1.83 0.19 0.01 0.05 0.00 61.45 0.43 105 A C T 94.74 1.52 14.43 15.90 96.35 -75.86 -47.55 -49.69 98.84 0.50 0.66 1.41 31.19 66.29 0.02 0.68 0.00 0.35 0.07 106 N C T 113.62 4.18 14.49 19.30 99.22 5.06 -103.67 -1.57 98.89 0.47 0.65 1.61 30.75 66.51 0.02 0.72 0.00 0.33 0.06 107 C E E 32.19 14.15 13.73 28.64 132.71 59.33 -130.72 150.19 23.46 76.43 0.11 17.51 5.09 0.71 0.01 0.10 0.00 76.25 0.33 108 R E E 63.06 13.47 20.16 34.12 120.90 -141.02 -110.02 131.67 2.03 97.96 0.00 1.97 0.04 0.00 0.00 0.00 0.00 97.95 0.03 109 L E E 14.09 18.87 21.64 40.84 121.24 -162.24 -113.84 131.92 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 110 Y E E 15.79 20.94 22.16 42.89 126.84 -168.64 -117.73 144.71 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 111 T E E 18.91 16.56 23.95 40.38 135.18 -173.61 -135.28 153.53 2.11 97.88 0.00 2.02 0.07 0.01 0.00 0.00 0.00 97.83 0.07 112 R E E 68.19 15.51 21.74 36.56 115.20 -105.31 -76.75 141.84 22.23 77.66 0.10 20.37 1.57 0.15 0.04 0.06 0.00 77.00 0.81 113 A C C 23.75 16.82 16.08 33.03 112.63 -110.65 -71.65 139.81 85.97 11.16 2.87 74.62 8.24 2.75 0.75 2.01 0.00 10.56 1.08 114 T C C 66.95 8.33 17.27 26.20 108.15 -148.64 -88.98 106.00 82.35 2.90 14.76 53.16 17.32 11.95 4.00 10.77 0.00 1.68 1.13 115 A C C 72.84 5.15 13.94 20.27 98.90 26.23 -77.25 -15.35 77.26 1.73 21.01 31.14 25.54 21.54 4.41 15.56 0.01 0.84 0.96 116 E C C 125.37 4.21 11.41 17.09 103.67 69.45 -81.34 7.35 77.12 2.41 20.47 38.79 19.86 19.11 4.00 15.87 0.01 1.24 1.14 117 T C C 89.81 4.72 10.35 16.64 107.54 84.01 -88.01 86.17 86.01 2.37 11.62 74.19 2.86 10.60 3.71 6.13 0.00 1.34 1.17 118 A C C 69.96 6.10 11.47 18.94 108.05 65.89 -83.82 113.67 99.89 0.07 0.04 99.73 0.12 0.09 0.02 0.00 0.00 0.03 0.01