# 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 P C C 85.23 5.59 15.66 22.35 111.54 -103.65 -69.74 140.68 99.91 0.08 0.01 99.81 0.10 0.03 0.00 0.00 0.00 0.04 0.01 1 L C C 83.92 10.84 10.25 21.60 114.94 -131.46 -86.96 132.63 87.85 10.85 1.30 85.38 1.80 1.24 0.64 0.45 0.00 5.11 5.37 2 K C C 130.57 4.03 14.70 20.40 117.60 -141.88 -98.76 133.42 86.65 10.15 3.20 68.76 14.87 2.84 1.04 2.16 0.00 8.24 2.10 3 P C C 68.26 10.76 13.43 24.85 114.82 -111.16 -69.16 146.74 76.93 13.49 9.58 55.97 11.37 9.33 2.46 7.16 0.00 12.05 1.66 4 L C C 62.87 13.11 14.55 28.03 113.99 -130.04 -90.74 129.36 61.56 28.05 10.39 41.21 11.62 9.70 2.86 7.47 0.02 24.09 3.02 5 V C C 58.43 11.96 17.44 29.86 118.19 -158.56 -106.58 130.09 56.93 35.46 7.61 38.14 11.87 8.33 2.47 5.18 0.03 30.19 3.80 6 F C C 60.95 16.13 16.06 31.92 118.98 -160.77 -108.03 128.99 62.45 33.71 3.84 42.59 13.98 6.34 1.37 2.67 0.01 28.75 4.28 7 R C C 103.21 10.35 20.20 30.74 122.15 -153.82 -109.71 135.84 75.08 23.87 1.04 48.58 23.58 3.01 0.25 0.80 0.00 22.12 1.64 8 P C C 54.64 13.01 19.46 32.17 111.17 -105.51 -71.03 140.80 74.77 23.37 1.85 44.11 22.78 7.51 0.27 1.61 0.00 22.78 0.93 9 L E E 23.77 20.82 17.42 37.42 121.29 -151.73 -104.08 139.65 41.03 57.27 1.70 29.62 8.89 3.27 0.30 1.37 0.00 55.58 0.97 10 K E E 72.81 12.41 24.75 36.83 119.12 -144.60 -104.33 131.78 17.98 81.31 0.72 14.16 3.32 1.05 0.16 0.52 0.00 80.29 0.51 11 L E E 10.45 23.59 19.37 42.79 122.71 -162.05 -113.22 134.35 7.27 92.64 0.09 6.05 0.86 0.13 0.02 0.06 0.00 92.74 0.14 12 F E E 29.94 16.04 25.29 41.24 124.74 -168.89 -119.78 136.70 1.59 98.40 0.01 1.36 0.10 0.01 0.00 0.00 0.00 98.49 0.03 13 F E E 16.05 22.85 20.81 43.13 126.09 -165.86 -122.00 139.16 0.70 99.29 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.32 0.02 14 W E E 48.06 14.51 24.23 38.83 126.01 -170.08 -123.88 138.15 1.88 98.10 0.02 1.57 0.15 0.03 0.00 0.01 0.00 98.18 0.06 15 A E E 24.90 17.34 17.45 34.60 120.39 -159.00 -109.65 132.46 12.60 87.25 0.14 9.86 1.93 0.46 0.03 0.10 0.00 87.37 0.26 16 T C E 51.17 9.43 17.34 27.73 123.32 176.69 -125.95 146.58 51.12 48.24 0.64 36.10 10.45 3.75 0.11 0.57 0.00 48.30 0.73 17 N C T 112.47 3.98 16.99 21.72 97.62 -47.95 4.90 -14.42 96.50 2.16 1.35 10.26 38.35 48.03 0.14 1.22 0.00 1.71 0.30 18 R C T 138.87 7.70 15.82 24.09 100.11 -29.31 -80.81 8.25 97.34 1.12 1.54 9.53 39.56 48.41 0.16 1.35 0.00 0.77 0.22 19 H E E 77.68 9.63 18.53 28.92 126.40 93.24 -118.84 143.63 42.77 56.47 0.77 22.39 16.44 6.03 0.14 0.68 0.00 53.33 1.00 20 V E E 20.10 20.56 16.00 36.39 118.31 -142.95 -105.15 128.11 12.07 87.84 0.09 10.29 1.22 0.19 0.03 0.05 0.00 87.81 0.41 21 H E E 52.62 11.52 24.46 36.40 125.18 -172.27 -119.92 139.29 3.23 96.72 0.06 2.72 0.30 0.06 0.02 0.02 0.00 96.78 0.09 22 A E E 9.12 23.03 18.54 41.22 126.18 -163.52 -122.05 139.77 1.96 97.99 0.05 1.69 0.15 0.03 0.02 0.02 0.00 98.06 0.03 23 K E E 55.52 13.32 25.44 38.65 126.29 -169.57 -125.56 137.43 1.34 98.59 0.07 1.18 0.10 0.02 0.02 0.02 0.00 98.63 0.03 24 V E E 21.60 19.73 20.81 40.19 118.03 -151.41 -106.24 126.22 1.25 98.71 0.04 1.14 0.06 0.01 0.01 0.01 0.00 98.73 0.04 25 V E E 22.47 16.32 21.38 38.01 121.71 -168.85 -115.57 133.29 3.35 96.59 0.07 2.99 0.19 0.04 0.02 0.02 0.00 96.65 0.09 26 R E E 85.71 12.61 22.33 34.83 120.80 -153.55 -108.51 130.41 11.13 88.69 0.19 9.54 1.09 0.27 0.05 0.10 0.00 88.56 0.38 27 F E E 38.28 18.09 16.50 34.30 120.94 -165.84 -113.82 138.06 35.69 63.76 0.55 27.27 7.24 1.74 0.15 0.41 0.00 61.77 1.42 28 S C C 50.08 9.62 18.49 28.69 118.30 -158.24 -107.31 138.67 69.79 29.71 0.49 35.99 31.07 3.78 0.10 0.46 0.00 26.94 1.65 29 S C C 42.42 10.40 15.12 26.55 121.60 -121.31 -106.24 143.07 85.81 13.45 0.74 40.93 40.54 5.01 0.14 0.69 0.00 10.47 2.23 30 P C C 79.49 6.97 15.65 23.52 100.93 -109.21 -71.09 2.51 91.33 4.09 4.58 32.04 30.38 29.48 0.80 3.66 0.00 2.53 1.12 31 F C C 101.81 10.01 12.50 23.07 109.04 79.76 -92.18 105.51 83.44 8.95 7.61 32.49 24.24 28.02 1.52 5.69 0.02 4.72 3.29 32 N C C 87.85 7.65 12.86 21.58 107.72 -148.05 -93.22 87.91 83.02 9.15 7.83 49.26 17.15 16.63 1.68 6.43 0.01 5.26 3.58 33 E C T 133.05 3.80 13.92 19.23 105.75 131.98 -84.55 66.46 86.54 8.22 5.24 20.80 18.68 47.90 1.14 3.84 0.02 5.12 2.51 34 G C T 48.35 4.98 15.40 21.57 105.27 -7.45 87.29 0.83 90.61 7.39 2.01 19.65 26.30 45.33 0.26 1.81 0.00 5.54 1.11 35 V C C 51.36 13.06 12.41 26.21 117.54 129.32 -97.65 131.05 83.23 16.47 0.30 52.67 31.02 0.96 0.08 0.23 0.00 12.10 2.93 36 P C C 65.17 8.17 18.43 27.43 113.75 -113.28 -69.06 144.79 77.61 22.05 0.34 70.49 5.01 0.88 0.10 0.26 0.00 21.10 2.18 37 V E E 61.72 15.44 14.67 29.65 118.96 -145.03 -104.58 131.80 35.53 63.64 0.82 30.09 4.31 0.88 0.41 0.52 0.00 58.62 5.17 38 V E E 43.92 13.05 16.71 30.65 121.33 -161.28 -114.18 132.18 26.97 71.97 1.05 22.56 3.69 1.12 0.49 0.59 0.00 69.66 1.89 39 D E E 94.73 6.39 19.91 27.54 111.62 -140.70 -93.01 121.22 32.41 66.55 1.04 24.73 6.51 1.55 0.37 0.61 0.00 65.17 1.06 40 I E E 32.01 16.49 14.29 31.12 128.81 166.13 -126.11 149.26 45.45 53.99 0.56 40.56 4.13 0.38 0.32 0.26 0.00 51.94 2.40 41 S C C 45.76 5.96 22.78 28.86 119.61 -116.56 -78.67 158.92 69.76 29.57 0.67 68.44 1.68 0.25 0.49 0.18 0.00 26.27 2.69 42 T H H 26.89 20.54 15.05 34.92 92.04 -111.74 -59.96 -38.52 3.74 0.06 96.19 1.14 0.70 1.91 95.05 1.14 0.01 0.04 0.02 43 F H H 100.39 8.36 20.54 29.29 92.23 53.36 -64.43 -40.56 1.33 0.03 98.64 0.25 0.14 0.87 97.65 1.05 0.00 0.02 0.00 44 D H H 71.42 4.18 22.51 26.37 92.10 49.53 -66.67 -39.75 0.64 0.02 99.34 0.15 0.07 0.39 98.29 1.10 0.00 0.01 0.00 45 A H H 6.63 18.67 16.30 35.70 92.03 51.39 -63.85 -42.98 0.58 0.01 99.41 0.11 0.06 0.35 98.87 0.60 0.00 0.01 0.00 46 F H H 32.29 18.01 17.35 35.07 92.42 50.20 -64.49 -41.43 1.14 0.02 98.84 0.17 0.10 0.81 98.25 0.65 0.00 0.01 0.00 47 N H H 90.69 3.49 20.94 24.44 92.11 51.00 -65.55 -39.16 3.21 0.03 96.76 0.33 0.23 2.56 95.72 1.12 0.01 0.02 0.01 48 K H H 103.78 6.43 19.16 26.24 92.73 50.82 -68.07 -35.12 8.59 0.04 91.37 0.59 0.58 7.35 90.03 1.38 0.03 0.02 0.02 49 L H H 30.44 18.82 13.57 31.55 95.50 51.03 -76.17 -26.28 24.06 0.32 75.61 2.92 3.03 18.28 73.56 1.77 0.11 0.13 0.18 50 K C H 114.26 8.20 16.57 25.24 99.43 56.97 -82.72 -5.91 56.45 1.75 41.80 11.11 9.02 36.16 39.52 2.46 0.12 0.74 0.89 51 G C T 49.75 4.48 14.64 20.34 104.81 12.55 70.57 -2.41 88.96 1.98 9.06 26.34 19.42 44.00 5.66 2.75 0.01 1.03 0.80 52 S C C 78.94 4.08 14.10 19.43 107.66 50.51 -93.42 52.24 91.11 4.34 4.55 46.23 25.12 20.38 1.75 2.49 0.00 2.31 1.71 53 A C C 52.59 10.00 11.49 22.42 118.61 119.73 -90.46 138.60 94.02 5.16 0.82 61.12 31.74 1.77 0.30 0.48 0.00 3.12 1.48 54 P C C 76.83 7.70 14.91 23.70 111.19 -106.54 -68.94 144.10 90.44 7.33 2.23 72.30 12.96 5.08 0.66 1.57 0.00 5.78 1.65 55 V C C 84.41 9.72 14.30 24.73 112.08 -143.68 -94.80 121.56 70.91 25.74 3.35 42.42 21.89 7.00 1.28 2.33 0.02 18.70 6.36 56 V C C 68.56 10.73 15.88 27.26 116.71 -159.58 -102.79 128.68 66.60 30.66 2.73 42.53 19.87 3.98 1.39 1.68 0.03 21.29 9.22 57 A C C 42.20 12.39 16.12 29.11 118.91 -136.00 -95.50 137.86 85.46 12.86 1.67 65.58 17.98 2.05 0.78 0.90 0.00 10.67 2.04 58 P C C 51.70 13.06 15.84 29.22 111.61 -108.07 -67.97 144.29 86.93 6.79 6.27 68.20 10.97 7.96 3.00 3.08 0.00 5.20 1.60 59 R C C 119.25 10.55 16.60 27.42 106.13 -151.48 -92.26 36.91 83.32 7.63 9.05 52.73 22.65 8.05 5.45 3.67 0.02 4.14 3.30 60 S C C 46.74 6.16 19.54 26.09 125.40 20.45 -114.40 163.91 77.14 9.68 13.18 49.33 24.53 3.68 10.80 2.68 0.03 3.68 5.27 61 L H H 72.96 12.29 14.47 27.21 93.24 -108.24 -61.58 -36.35 7.39 0.18 92.43 2.86 1.80 3.43 88.97 2.77 0.02 0.09 0.07 62 E H H 120.10 2.28 20.49 22.21 92.24 54.57 -64.80 -39.78 4.61 0.10 95.29 1.23 0.64 2.84 91.48 3.69 0.02 0.07 0.03 63 C H H 24.65 11.57 17.29 30.35 92.41 50.34 -65.82 -40.43 3.40 0.09 96.50 1.05 0.47 1.99 92.15 4.24 0.01 0.07 0.02 64 Y H H 27.66 20.61 16.21 36.47 92.23 52.10 -63.51 -42.26 1.31 0.02 98.67 0.57 0.21 0.59 97.89 0.72 0.00 0.01 0.01 65 K H H 96.57 8.07 21.90 30.13 91.62 51.41 -63.84 -41.19 0.55 0.01 99.44 0.20 0.07 0.26 99.31 0.15 0.00 0.00 0.00 66 E H H 93.99 4.05 24.06 27.64 91.78 49.66 -64.72 -42.00 0.45 0.01 99.54 0.15 0.05 0.23 99.44 0.12 0.00 0.00 0.00 67 V H H 17.12 17.24 20.22 37.60 92.29 48.88 -64.85 -42.79 0.46 0.01 99.54 0.14 0.04 0.24 99.46 0.11 0.00 0.00 0.00 68 A H H 12.69 18.36 18.72 37.33 91.88 51.19 -63.26 -42.40 0.66 0.01 99.33 0.17 0.06 0.37 99.24 0.15 0.00 0.00 0.00 69 K H H 109.51 4.06 23.69 27.68 91.98 50.88 -64.68 -41.05 1.74 0.02 98.23 0.31 0.14 1.19 98.06 0.29 0.01 0.01 0.01 70 M H H 70.78 6.98 21.81 29.29 92.23 50.02 -65.47 -41.39 3.05 0.06 96.89 0.63 0.30 2.00 96.65 0.36 0.01 0.03 0.01 71 V H H 18.61 17.88 17.39 35.36 92.54 49.85 -65.58 -42.03 5.69 0.25 94.06 2.35 0.82 2.70 93.42 0.51 0.01 0.13 0.06 72 K H H 86.32 11.31 18.99 30.20 92.88 51.59 -65.27 -40.18 7.44 0.33 92.23 3.98 0.99 2.79 91.30 0.67 0.01 0.20 0.07 73 E H H 109.66 3.06 20.41 23.13 93.36 49.57 -66.68 -40.27 7.21 0.32 92.48 2.93 1.08 3.57 90.85 1.25 0.03 0.23 0.07 74 E H H 86.86 5.96 18.72 25.29 94.31 45.84 -69.07 -39.73 8.83 0.31 90.86 2.81 1.31 5.01 88.95 1.59 0.03 0.22 0.08 75 T H H 33.63 11.49 14.81 27.45 94.12 47.86 -68.69 -38.77 14.70 0.45 84.85 5.03 2.40 7.78 82.25 2.08 0.04 0.26 0.16 76 A H H 45.72 8.65 14.34 24.29 93.93 54.63 -66.71 -35.53 22.84 0.65 76.51 8.86 3.45 11.29 72.34 3.41 0.04 0.36 0.24 77 R H H 155.86 2.72 16.03 19.29 94.50 54.59 -72.73 -26.11 31.99 0.81 67.20 9.88 4.64 18.26 61.70 4.66 0.06 0.48 0.32 78 Q C H 108.38 5.26 14.92 21.21 99.06 58.51 -83.09 -9.33 49.75 1.11 49.14 10.21 8.65 31.09 43.82 5.04 0.10 0.63 0.45 79 N C T 102.80 4.92 15.94 21.67 100.63 -99.46 -59.00 37.04 67.31 2.16 30.53 24.30 8.38 34.19 26.54 4.57 0.02 1.31 0.69 80 I C C 54.29 15.44 9.79 24.82 113.58 151.68 -92.69 121.38 63.93 14.59 21.48 46.62 8.58 8.04 15.33 6.52 0.03 13.17 1.71 81 N C C 106.39 3.99 17.23 22.23 102.74 175.84 -95.62 -12.08 58.09 23.36 18.55 30.37 17.56 10.55 10.89 7.13 0.11 21.92 1.47 82 E E E 102.83 6.37 19.06 26.44 127.19 19.79 -129.30 140.21 31.50 52.79 15.71 20.73 5.98 5.99 9.05 6.07 0.07 50.87 1.25 83 V E E 33.88 19.70 13.45 32.41 124.47 -169.35 -122.55 134.07 24.67 67.72 7.62 19.72 2.80 1.50 6.32 1.70 0.01 66.88 1.06 84 T E E 64.73 7.93 22.56 31.05 121.36 -163.22 -114.60 132.49 18.93 76.49 4.58 15.95 1.36 0.88 3.95 0.88 0.00 76.09 0.88 85 L E E 32.50 20.27 15.14 34.91 119.19 -158.24 -106.85 129.12 19.60 75.24 5.15 15.96 1.94 1.14 4.27 1.08 0.01 74.72 0.89 86 H E E 87.74 8.29 21.22 29.97 115.85 -159.94 -105.70 123.65 27.82 66.52 5.67 23.15 2.54 1.52 4.45 1.39 0.01 65.62 1.32 87 L C E 51.10 16.82 14.38 30.65 104.84 -159.91 -79.73 24.46 45.04 34.28 20.68 30.92 7.76 7.00 13.81 6.68 0.08 31.87 1.88 88 N C C 90.55 6.80 16.57 24.15 101.54 66.70 -82.97 6.23 57.63 12.37 30.00 29.40 13.95 15.64 17.72 11.52 0.17 9.75 1.85 89 S C C 66.54 6.48 15.27 22.65 100.76 56.87 -79.96 -5.19 55.43 6.34 38.24 22.33 14.48 20.05 20.84 16.25 0.23 4.06 1.76 90 H C C 102.30 8.42 13.96 23.23 102.62 68.86 -89.13 6.04 56.89 6.74 36.37 27.45 13.41 17.40 21.94 13.36 0.19 3.97 2.28 91 A C C 50.69 11.09 12.06 23.63 107.50 97.93 -83.99 80.86 64.97 5.02 30.01 40.60 13.32 11.06 22.43 7.83 0.04 2.90 1.82 92 S C C 66.26 5.19 14.34 20.68 112.83 83.34 -91.14 140.11 67.71 3.05 29.25 36.22 17.54 14.35 23.32 5.78 0.03 1.59 1.18 93 D C H 100.72 5.13 13.74 20.16 98.90 -115.40 -77.60 -9.90 59.09 2.13 38.79 27.02 19.16 14.21 32.51 5.15 0.06 0.99 0.91 94 R H H 133.20 5.19 15.21 21.48 103.00 79.52 -83.04 -3.08 46.80 1.49 51.70 20.93 12.53 14.33 47.18 3.63 0.06 0.70 0.63 95 G H H 25.13 8.86 17.40 27.17 106.09 47.84 -66.99 -39.14 44.94 1.49 53.57 28.16 6.95 9.91 51.15 2.54 0.01 0.74 0.54 96 V H H 38.13 17.81 14.62 31.55 93.73 -42.65 -64.43 -39.72 7.38 0.24 92.38 4.18 1.24 2.24 90.94 1.19 0.01 0.15 0.05 97 R H H 126.98 5.76 19.74 26.24 92.26 53.50 -65.01 -40.11 2.49 0.17 97.34 1.17 0.35 1.05 96.52 0.74 0.01 0.14 0.02 98 E H H 89.22 4.03 21.55 25.50 92.18 50.03 -65.54 -41.00 1.26 0.16 98.59 0.58 0.16 0.56 98.05 0.51 0.00 0.14 0.01 99 V H H 14.74 18.02 17.91 36.13 92.36 49.70 -64.30 -43.49 0.76 0.12 99.13 0.31 0.08 0.36 98.89 0.25 0.00 0.10 0.01 100 V H H 24.77 17.36 18.60 35.72 91.95 50.07 -63.26 -42.90 0.61 0.11 99.29 0.22 0.06 0.32 99.15 0.16 0.00 0.09 0.00 101 R H H 125.62 2.94 23.25 25.47 91.75 50.02 -64.03 -41.49 0.63 0.09 99.27 0.17 0.05 0.38 99.16 0.15 0.00 0.07 0.00 102 E H H 70.39 7.69 20.62 29.10 92.05 49.77 -65.05 -41.32 0.90 0.08 99.02 0.18 0.07 0.62 98.85 0.21 0.00 0.06 0.00 103 L H H 9.44 21.65 14.71 36.38 92.23 49.74 -65.43 -41.59 1.62 0.07 98.30 0.30 0.14 1.15 97.90 0.45 0.01 0.05 0.01 104 K H H 98.70 9.57 17.77 27.77 91.98 51.45 -63.98 -40.08 3.83 0.06 96.11 0.48 0.25 3.05 95.12 1.03 0.01 0.04 0.01 105 N H H 115.04 1.94 18.86 20.48 91.61 53.13 -67.53 -27.97 13.18 0.06 86.76 0.63 0.57 11.95 85.65 1.12 0.02 0.03 0.02 106 L C T 63.69 11.19 14.68 26.70 93.92 54.59 -84.51 -6.29 67.18 0.21 32.61 1.42 2.45 61.28 33.00 1.63 0.01 0.08 0.12 107 G C T 43.06 5.63 18.84 25.24 97.20 -110.92 80.84 13.77 95.13 0.57 4.30 8.63 5.06 81.44 3.61 0.76 0.00 0.35 0.14 108 L C C 33.26 17.15 14.53 31.62 102.19 124.60 -89.07 1.78 85.67 7.32 7.01 63.68 13.73 8.00 3.87 3.25 0.00 6.15 1.31 109 L C C 52.98 15.11 15.88 30.69 114.73 84.45 -96.59 126.99 55.99 33.60 10.42 35.44 13.10 9.04 5.62 4.90 0.13 28.17 3.61 110 V C E 64.59 11.46 15.11 27.12 115.29 -165.18 -100.02 127.78 47.45 44.15 8.40 33.74 9.23 5.41 4.45 4.09 0.05 40.12 2.90 111 K C E 118.83 6.42 14.29 22.09 117.43 -144.28 -102.27 131.86 49.20 44.12 6.68 34.56 9.09 6.33 2.95 3.49 0.03 41.63 1.92 112 K C C 129.36 5.94 12.51 20.20 114.17 -133.48 -89.34 128.65 64.76 32.94 2.31 60.31 1.58 2.38 0.90 1.01 0.00 32.03 1.79 113 V C C 76.28 9.74 11.95 22.59 115.12 -156.30 -101.26 128.70 99.63 0.36 0.01 99.64 0.08 0.02 0.00 0.00 0.00 0.24 0.01