# 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 104.46 6.86 11.73 19.62 109.19 -149.62 -86.31 115.16 98.58 0.34 1.09 98.06 0.29 0.37 0.94 0.08 0.00 0.16 0.09 1 A C C 77.57 3.19 10.23 14.75 100.91 98.37 -74.81 -26.45 52.34 3.97 43.70 45.55 1.79 5.82 39.03 3.97 0.00 2.82 1.01 2 A C H 82.98 2.14 8.77 12.22 103.37 57.84 -79.10 -3.38 47.21 6.24 46.55 33.68 6.49 7.83 40.62 5.37 0.03 4.89 1.10 3 L H H 116.16 3.27 8.65 13.50 106.85 65.10 -87.06 49.35 40.72 7.75 51.52 29.72 5.71 6.51 43.63 6.83 0.03 6.30 1.25 4 R H H 156.56 3.34 10.30 15.04 107.54 90.58 -86.63 82.95 36.22 7.15 56.62 25.88 5.81 6.28 49.09 5.95 0.04 5.62 1.32 5 C H H 83.49 4.48 10.14 16.12 111.92 -142.96 -89.99 124.98 39.35 5.19 55.46 26.83 6.19 7.41 49.49 5.08 0.03 3.95 1.03 6 S H H 74.06 3.91 11.36 16.56 108.72 -139.67 -91.51 113.64 42.34 4.10 53.56 28.86 6.58 7.74 48.94 4.05 0.02 2.93 0.88 7 V H H 92.53 5.34 10.31 17.09 107.08 97.58 -86.48 65.56 35.66 4.05 60.28 25.02 6.41 6.01 55.44 3.45 0.03 2.76 0.88 8 A H H 72.25 3.96 11.52 16.83 106.90 77.40 -85.78 71.71 34.63 3.41 61.96 24.64 5.51 6.14 57.05 3.56 0.02 2.36 0.72 9 T H H 89.31 4.38 11.30 17.02 107.64 -141.53 -91.38 90.94 34.17 3.19 62.64 23.13 5.88 7.19 56.70 4.18 0.03 2.14 0.75 10 R H H 148.59 4.79 11.03 17.28 107.46 71.38 -85.01 86.53 33.89 2.70 63.41 21.45 6.51 8.27 56.30 5.00 0.04 1.65 0.77 11 A H H 73.84 4.49 11.35 17.26 109.82 79.57 -84.50 112.83 44.43 2.09 53.48 25.69 7.83 12.17 47.95 4.48 0.04 1.14 0.71 12 A C H 75.62 4.47 11.04 17.01 108.31 -129.91 -85.72 111.52 58.59 2.14 39.27 31.34 12.29 15.65 34.56 4.21 0.03 1.03 0.88 13 V C C 88.96 6.10 10.09 17.74 115.48 115.64 -95.66 133.79 74.87 1.80 23.34 42.02 27.77 4.54 22.13 2.03 0.01 0.73 0.77 14 P C C 90.75 4.37 11.77 17.73 112.72 -113.35 -70.67 145.62 70.91 1.57 27.52 59.64 5.06 5.84 24.21 3.80 0.00 0.90 0.54 15 A C C 74.17 5.40 10.57 17.54 110.96 -110.35 -75.32 141.25 67.99 2.76 29.25 53.33 6.76 7.27 24.57 5.41 0.00 1.63 1.03 16 R C C 160.51 3.74 11.70 16.88 111.72 -150.87 -91.71 121.61 66.64 4.35 29.01 48.83 10.06 7.04 25.11 4.86 0.01 2.54 1.54 17 R C C 142.30 6.35 10.99 18.51 113.45 -150.35 -91.96 129.18 65.46 4.14 30.40 48.97 10.15 5.38 28.52 3.29 0.01 2.52 1.16 18 S C C 73.61 5.20 12.71 19.10 113.44 -142.71 -90.53 133.82 66.04 3.55 30.41 53.67 6.49 4.35 30.00 2.33 0.00 2.36 0.79 19 S C H 71.67 6.20 12.53 19.81 112.17 -137.78 -90.75 131.25 49.06 6.22 44.72 38.69 5.74 4.53 42.45 2.80 0.01 4.74 1.05 20 V H H 83.27 7.30 12.56 20.95 115.30 -151.50 -98.40 130.04 34.02 9.74 56.24 25.94 4.72 4.11 52.39 3.17 0.03 8.59 1.05 21 V H H 81.18 7.82 13.75 22.43 115.97 -149.33 -94.62 132.85 27.24 14.35 58.41 20.35 3.53 4.02 53.68 3.58 0.04 13.56 1.22 22 V H H 76.61 8.36 13.79 22.93 115.83 -151.07 -95.27 133.83 28.28 13.99 57.73 20.09 3.96 4.97 52.46 4.04 0.06 13.09 1.34 23 R H H 135.54 5.77 15.92 22.41 114.28 -142.25 -96.09 131.05 35.11 11.78 53.10 23.62 5.18 7.19 47.70 4.36 0.08 10.25 1.62 24 A C H 53.44 10.18 11.63 22.38 108.90 -147.92 -85.39 118.19 52.80 6.10 41.10 33.69 8.15 10.85 37.56 3.96 0.04 4.42 1.33 25 S C C 68.94 5.70 13.60 20.40 109.90 57.47 -92.85 92.68 68.04 3.49 28.47 40.68 10.90 15.38 26.21 3.60 0.01 2.15 1.07 26 T C C 88.42 5.20 12.37 18.78 105.53 61.02 -89.44 36.60 76.61 1.94 21.44 44.66 17.47 13.67 18.81 3.59 0.01 1.01 0.78 27 E C C 120.83 4.78 12.29 18.47 106.95 102.45 -84.99 71.72 79.64 1.56 18.80 52.96 15.05 10.44 16.90 3.19 0.00 0.80 0.66 28 Q C C 115.31 5.02 12.55 18.90 104.44 96.61 -84.96 12.71 71.79 1.59 26.61 51.04 11.50 7.74 25.29 3.01 0.00 0.81 0.62 29 T C C 74.81 6.70 12.81 20.57 107.11 117.39 -86.81 50.26 58.95 1.36 39.69 39.97 10.05 7.33 39.22 2.29 0.00 0.69 0.44 30 T C H 72.90 5.09 15.66 21.51 104.74 49.23 -80.23 -5.34 51.57 1.57 46.86 37.65 6.51 6.91 45.46 2.18 0.00 0.80 0.49 31 K H H 92.92 10.33 14.69 25.34 95.00 54.97 -65.72 -36.52 16.52 0.61 82.88 11.60 2.54 3.35 80.43 1.59 0.00 0.32 0.16 32 R H H 113.16 8.03 16.88 25.32 93.14 53.69 -65.50 -39.82 5.71 0.31 93.98 3.25 0.86 1.95 92.32 1.35 0.00 0.20 0.06 33 A H H 53.24 5.05 18.55 24.12 92.66 52.03 -66.03 -40.26 3.80 0.37 95.83 2.03 0.53 1.49 94.24 1.36 0.01 0.30 0.05 34 M H H 74.09 7.87 18.38 26.98 92.85 50.44 -66.03 -41.27 2.72 0.35 96.94 1.37 0.36 1.11 95.77 1.05 0.00 0.29 0.04 35 L H H 58.43 11.12 18.12 29.59 92.65 50.72 -65.57 -40.94 2.26 0.26 97.49 1.00 0.28 1.02 96.66 0.79 0.00 0.22 0.03 36 G H H 30.93 7.28 19.10 26.92 92.27 51.72 -64.44 -41.05 3.26 0.22 96.52 1.17 0.37 1.75 95.56 0.93 0.01 0.17 0.03 37 L H H 89.31 4.72 20.67 25.62 92.33 50.75 -65.99 -40.83 3.70 0.24 96.05 1.24 0.45 2.13 94.95 0.98 0.01 0.19 0.03 38 L H H 71.34 8.61 19.72 28.56 92.43 50.12 -65.68 -41.37 3.11 0.24 96.65 1.11 0.44 1.70 95.65 0.87 0.01 0.19 0.03 39 A H H 42.34 9.88 18.52 28.88 92.65 50.89 -65.67 -40.74 3.73 0.24 96.02 1.24 0.50 2.13 94.73 1.15 0.02 0.19 0.04 40 G H H 35.24 5.87 19.23 25.53 92.95 51.96 -65.31 -39.95 6.25 0.33 93.42 1.87 0.77 3.77 91.52 1.73 0.03 0.25 0.06 41 A H H 56.05 5.53 18.76 24.75 93.14 51.65 -66.68 -40.13 8.85 0.61 90.53 2.86 1.21 5.21 87.75 2.32 0.05 0.47 0.13 42 V H H 72.97 7.81 17.60 25.83 93.78 50.81 -68.15 -38.71 11.41 1.05 87.54 4.25 1.83 6.17 83.68 2.98 0.08 0.76 0.25 43 A H H 57.10 7.32 16.46 24.42 94.78 52.91 -69.06 -34.37 17.94 1.22 80.84 6.13 2.80 10.13 74.48 5.11 0.15 0.83 0.37 44 G H H 43.27 5.03 15.93 21.84 95.84 54.56 -69.53 -29.21 30.11 0.98 68.91 7.59 4.04 18.82 60.04 8.40 0.13 0.61 0.38 45 A H H 68.37 5.62 14.23 20.95 97.87 60.81 -73.42 -20.31 38.78 1.92 59.30 13.02 6.13 20.47 46.91 11.39 0.17 1.19 0.72 46 L C H 102.69 5.98 12.92 20.16 102.11 66.16 -82.52 -3.57 48.79 5.51 45.70 21.57 8.37 20.27 34.32 9.89 0.24 3.59 1.75 47 L C C 113.68 4.27 13.08 18.81 104.29 75.42 -85.46 25.77 59.32 9.93 30.75 29.28 12.86 18.20 23.50 6.80 0.22 6.34 2.80 48 V C C 89.31 6.01 11.14 18.73 115.18 114.24 -92.38 136.04 70.71 9.79 19.50 34.92 24.47 11.70 15.60 4.24 0.14 5.78 3.15 49 A C C 72.21 4.26 13.02 18.75 114.16 -108.78 -80.73 140.03 81.67 4.95 13.38 50.52 24.62 6.62 9.57 4.11 0.02 3.02 1.53 50 P C C 86.35 6.55 12.47 20.30 105.63 -102.16 -68.28 127.80 67.25 3.98 28.77 44.76 9.49 12.65 13.74 15.51 0.01 2.71 1.13 51 A C C 64.12 7.31 11.58 19.93 105.09 -130.19 -82.81 50.68 53.68 8.45 37.87 33.35 9.36 11.77 15.08 22.55 0.05 6.15 1.70 52 E C C 119.20 4.91 14.15 20.24 103.48 65.12 -80.67 15.07 42.18 16.77 41.05 25.93 8.79 9.63 15.51 24.41 0.11 13.45 2.17 53 A C C 56.44 9.44 12.97 23.01 106.78 71.79 -85.95 38.01 40.23 24.92 34.84 24.85 8.76 9.10 14.50 19.05 0.13 21.23 2.39 54 I C E 74.27 11.91 12.93 25.09 114.71 108.11 -97.26 122.88 38.97 37.41 23.61 25.35 8.30 7.44 12.47 10.90 0.14 32.48 2.93 55 R C E 144.65 5.05 17.13 23.49 118.46 -163.76 -105.21 130.47 44.47 43.59 11.95 30.66 9.58 5.33 7.79 4.93 0.14 37.25 4.32 56 I C C 68.06 12.73 11.92 25.12 116.78 -156.93 -101.05 127.37 68.86 28.58 2.56 53.97 12.62 1.66 1.68 1.04 0.01 26.64 2.37 57 P C C 71.42 5.94 15.78 22.94 113.04 -114.46 -68.06 146.81 72.68 18.52 8.80 58.36 8.11 5.21 4.84 3.88 0.01 17.74 1.85 58 S C C 66.30 8.52 12.24 21.68 108.11 -127.69 -81.85 133.44 62.74 16.15 21.11 40.56 12.73 9.79 9.34 11.88 0.07 12.60 3.05 59 H C C 115.79 6.48 13.20 20.74 110.89 -146.18 -91.85 117.51 54.24 18.24 27.52 31.96 13.36 10.50 12.06 14.91 0.15 13.87 3.18 60 E C C 120.30 5.35 14.17 20.69 112.19 -122.05 -85.01 122.99 51.96 19.62 28.41 31.83 11.03 10.49 12.42 15.51 0.13 15.51 3.08 61 F C C 106.69 9.79 10.63 21.02 114.92 -148.55 -98.16 132.21 55.56 23.55 20.89 34.17 11.10 11.11 10.42 10.33 0.17 18.14 4.56 62 T C C 86.67 5.63 12.59 19.34 110.87 -163.64 -103.75 99.83 65.30 22.01 12.69 32.42 15.40 19.09 6.33 5.96 0.19 16.05 4.56 63 G C C 50.18 4.35 12.62 18.23 111.13 -79.86 90.61 18.17 79.56 13.07 7.38 30.15 23.96 26.98 2.31 4.52 0.05 9.36 2.68 64 G C C 43.27 5.68 12.06 19.00 118.86 -67.61 96.94 169.38 80.06 13.11 6.83 39.87 23.68 17.60 1.99 4.60 0.02 8.95 3.28 65 M C C 126.75 4.44 11.68 17.39 106.38 -82.91 -84.39 55.10 72.42 18.95 8.64 32.55 23.20 18.41 2.91 5.28 0.11 12.97 4.57 66 V C C 96.99 5.09 10.19 16.78 111.47 61.67 -94.26 119.34 66.57 24.50 8.92 32.96 19.63 15.94 3.40 5.35 0.23 15.81 6.68 67 K C C 145.41 3.10 11.23 15.90 109.99 -134.16 -89.78 111.23 72.05 18.07 9.88 35.33 18.00 20.11 3.30 6.17 0.08 12.34 4.67 68 G C T 52.05 3.87 11.08 16.37 109.82 4.75 31.06 23.94 82.20 9.05 8.75 30.02 21.56 31.89 1.90 6.28 0.02 5.80 2.52 69 G C C 54.48 3.30 11.28 16.03 110.43 -41.72 -95.49 119.69 85.64 6.79 7.57 32.29 24.04 30.14 1.36 6.00 0.01 3.90 2.26 70 G C C 52.59 3.26 10.93 15.80 114.08 7.96 97.05 -148.31 86.45 8.82 4.74 38.28 27.19 21.62 0.78 4.16 0.00 5.20 2.75 71 S C C 88.46 2.51 11.80 15.66 111.39 -76.54 -94.47 115.43 85.64 11.45 2.91 49.69 26.62 9.44 0.64 2.57 0.00 6.12 4.92 72 S C C 64.94 6.47 10.29 18.36 118.04 -131.20 -96.16 136.28 92.04 7.26 0.70 66.22 24.22 1.75 0.21 0.55 0.00 4.08 2.96 73 P C C 81.80 6.39 11.23 19.22 111.99 -109.63 -67.13 148.17 93.55 4.31 2.14 60.28 18.22 15.00 0.42 1.93 0.00 2.72 1.44 74 K C C 145.72 3.58 12.25 17.53 109.85 -130.95 -87.99 116.89 88.90 7.97 3.13 48.65 28.48 12.07 0.85 2.29 0.00 3.59 4.05 75 S C C 57.00 6.59 12.45 20.44 118.28 -124.74 -99.73 137.22 93.65 3.73 2.62 68.21 23.12 2.24 1.56 1.01 0.00 1.62 2.25 76 P C C 83.28 7.54 12.57 21.33 96.68 -133.54 -66.52 -21.90 63.41 1.59 35.00 27.01 10.89 26.19 23.25 10.96 0.03 0.85 0.82 77 T C H 77.92 6.58 14.33 21.74 100.46 64.71 -81.35 -13.09 56.31 2.24 41.46 18.81 11.43 27.15 29.23 10.98 0.14 1.18 1.08 78 A H H 59.39 6.24 15.78 22.85 100.91 64.59 -74.21 -23.81 41.61 2.62 55.77 21.42 11.23 11.05 41.39 12.41 0.10 1.36 1.02 79 A H H 48.61 9.38 14.18 24.35 97.68 62.56 -70.62 -34.60 36.44 2.95 60.61 19.79 7.68 11.01 47.51 11.15 0.09 1.83 0.94 80 S H H 50.29 9.14 15.37 25.09 98.43 54.86 -73.93 -28.19 37.54 4.05 58.41 20.93 7.21 11.50 45.75 10.64 0.12 2.63 1.23 81 M H H 98.27 7.16 15.85 23.73 97.08 52.80 -76.35 -25.45 32.44 4.18 63.38 17.32 7.79 10.05 49.06 11.70 0.20 2.70 1.19 82 E H H 105.65 6.01 16.78 23.50 99.49 61.06 -79.17 -21.08 34.71 4.72 60.58 15.17 7.56 13.98 46.57 11.82 0.31 3.29 1.30 83 S H H 48.93 10.05 14.95 25.52 101.44 54.31 -79.32 -22.44 40.06 5.23 54.72 17.77 8.34 15.74 41.40 11.45 0.23 3.65 1.42 84 Y H H 106.42 9.77 14.84 25.07 101.74 61.37 -81.15 -17.11 39.05 11.17 49.79 20.27 9.05 12.24 37.80 9.60 0.43 7.96 2.66 85 T C H 75.15 6.14 16.65 23.49 102.62 72.11 -83.14 -2.80 43.18 14.46 42.36 24.39 8.60 11.72 33.70 7.39 0.27 11.09 2.84 86 L C H 82.75 8.77 13.03 22.58 106.78 59.08 -82.55 75.27 48.99 14.73 36.28 26.67 10.82 13.14 28.19 7.05 0.34 10.48 3.32 87 E C C 112.65 5.73 13.78 20.55 103.58 61.31 -82.71 25.29 58.85 12.13 29.02 25.10 12.74 21.74 23.27 5.69 0.30 8.06 3.11 88 G C T 44.30 5.60 13.05 19.71 103.76 18.71 55.39 -17.29 77.45 6.60 15.95 27.35 22.00 29.42 9.93 5.29 0.07 3.94 1.99 89 T C C 84.09 5.66 12.33 19.10 103.72 59.94 -88.11 0.46 75.65 8.72 15.63 38.01 20.81 17.70 9.62 5.68 0.06 5.15 2.98 90 K C C 126.38 4.70 11.60 17.86 107.43 86.09 -85.17 94.67 74.95 9.52 15.53 44.01 19.24 12.20 8.94 6.45 0.04 5.49 3.62 91 K C C 136.35 4.51 11.20 17.32 105.37 -130.49 -82.79 50.47 77.74 6.59 15.67 42.69 16.52 19.40 7.25 7.79 0.02 3.89 2.43 92 Q C C 129.40 3.06 12.81 17.19 106.25 74.09 -90.83 32.84 82.01 6.46 11.53 37.11 19.14 27.06 4.46 6.20 0.02 4.01 1.99 93 G C C 42.20 6.23 13.27 20.72 119.12 -95.63 100.05 171.16 82.51 10.77 6.72 43.94 22.55 17.01 2.61 3.81 0.02 6.95 3.10 94 V C C 51.84 12.50 9.98 23.00 119.78 -100.42 -99.90 139.73 80.54 17.63 1.83 63.27 15.64 1.01 1.46 0.57 0.00 7.86 10.19 95 S C C 58.08 2.95 17.36 20.24 118.25 -116.71 -75.06 157.95 94.40 4.60 1.00 92.35 2.36 0.30 0.86 0.16 0.00 2.59 1.38 96 L H H 101.68 5.85 12.02 19.63 92.28 -110.77 -58.81 -37.97 1.94 0.01 98.04 0.51 0.27 1.03 97.67 0.51 0.00 0.00 0.00 97 K H H 140.03 1.15 16.27 16.22 91.78 52.70 -64.64 -40.59 1.31 0.01 98.68 0.23 0.13 0.83 98.23 0.56 0.00 0.00 0.00 98 T H H 58.08 4.99 15.63 21.93 92.05 48.45 -65.67 -40.90 0.68 0.01 99.31 0.16 0.07 0.38 98.89 0.49 0.00 0.00 0.00 99 K H H 54.33 13.73 13.30 27.40 91.89 51.70 -63.59 -42.02 0.34 0.00 99.66 0.08 0.04 0.18 99.57 0.14 0.00 0.00 0.00 100 K H H 113.43 3.95 18.38 23.06 91.65 50.74 -63.78 -40.95 0.29 0.00 99.71 0.05 0.02 0.17 99.71 0.05 0.00 0.00 0.00 101 K H H 120.99 1.78 20.57 20.89 91.71 49.88 -64.73 -41.46 0.29 0.00 99.71 0.04 0.02 0.19 99.70 0.04 0.00 0.00 0.00 102 L H H 47.16 9.67 17.75 28.60 91.81 49.47 -64.30 -42.59 0.29 0.00 99.71 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 103 L H H 48.25 11.91 17.27 29.83 91.97 50.11 -63.95 -41.59 0.35 0.00 99.65 0.04 0.03 0.23 99.66 0.04 0.00 0.00 0.00 104 A H H 52.54 2.85 19.92 22.48 91.15 51.16 -63.30 -41.77 0.57 0.00 99.42 0.08 0.05 0.38 99.45 0.04 0.00 0.00 0.00 105 K H H 108.84 2.78 20.79 22.89 91.94 50.13 -65.34 -40.98 0.62 0.01 99.37 0.10 0.06 0.42 99.37 0.05 0.00 0.00 0.00 106 V H H 37.99 11.17 16.48 28.82 92.09 50.10 -64.48 -42.57 0.40 0.00 99.60 0.08 0.05 0.24 99.59 0.04 0.00 0.00 0.00 107 R H H 107.07 7.47 18.25 26.34 91.67 50.17 -63.29 -41.56 0.40 0.00 99.60 0.07 0.04 0.24 99.59 0.05 0.00 0.00 0.00 108 E H H 108.78 1.86 20.19 20.69 91.63 49.99 -64.05 -41.85 0.60 0.01 99.40 0.09 0.05 0.39 99.39 0.07 0.00 0.00 0.00 109 N H H 79.06 3.58 18.70 22.49 91.98 49.44 -65.37 -40.56 0.90 0.01 99.09 0.13 0.08 0.60 99.06 0.12 0.00 0.00 0.00 110 A H H 32.37 9.14 13.79 24.63 91.92 51.37 -64.16 -41.02 1.52 0.01 98.46 0.30 0.15 0.97 98.33 0.25 0.00 0.01 0.00 111 Q H H 99.81 3.27 16.23 20.04 91.83 50.72 -64.50 -40.23 3.29 0.04 96.67 0.73 0.34 2.09 96.27 0.52 0.00 0.02 0.01 112 K H H 131.14 1.41 15.97 16.54 92.51 50.69 -66.09 -39.49 5.73 0.06 94.21 1.42 0.71 3.50 93.35 0.95 0.01 0.03 0.02 113 S H H 64.83 3.56 13.46 18.14 93.40 51.01 -68.32 -36.23 11.98 0.11 87.91 2.71 1.43 7.56 86.86 1.33 0.02 0.05 0.05 114 A H H 67.00 4.75 10.53 16.80 94.09 54.27 -72.29 -25.91 28.69 0.31 71.00 7.11 3.46 18.01 69.48 1.62 0.03 0.12 0.17 115 S C H 85.49 1.72 10.65 13.24 98.44 59.65 -81.18 -9.36 58.06 0.68 41.26 29.80 2.59 24.37 41.01 1.57 0.01 0.26 0.40 116 S C C 82.57 2.46 10.96 14.83 105.63 86.21 -84.35 68.13 99.79 0.07 0.14 99.14 0.29 0.39 0.10 0.01 0.00 0.04 0.02