# 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 S C C 67.64 6.86 14.23 22.16 114.96 -129.04 -88.34 138.89 99.91 0.07 0.02 99.82 0.08 0.05 0.01 0.00 0.00 0.03 0.01 1 N C C 114.45 4.20 13.59 19.30 109.05 -143.82 -94.27 92.34 94.82 3.79 1.39 88.40 3.60 2.96 0.88 0.38 0.00 1.95 1.83 2 V C C 53.98 13.11 9.96 23.33 118.32 141.69 -94.12 137.91 91.90 6.14 1.96 67.02 23.44 1.43 1.70 0.42 0.00 2.40 3.60 3 S C C 54.57 4.26 17.83 22.60 115.59 -109.98 -71.01 152.62 95.42 2.18 2.40 93.94 1.49 0.50 2.13 0.21 0.00 0.90 0.83 4 N H H 78.33 12.24 13.95 26.40 92.66 -116.62 -59.94 -36.60 3.06 0.01 96.93 1.20 0.54 1.12 96.84 0.29 0.00 0.00 0.00 5 A H H 58.10 6.06 17.45 24.49 91.97 55.14 -64.30 -39.22 0.88 0.00 99.11 0.18 0.09 0.48 99.05 0.20 0.00 0.00 0.00 6 L H H 61.79 7.41 19.01 27.28 92.18 49.44 -65.65 -40.97 0.28 0.00 99.72 0.07 0.03 0.14 99.59 0.17 0.00 0.00 0.00 7 V H H 20.62 17.41 17.69 35.31 91.61 49.98 -63.47 -43.41 0.12 0.00 99.88 0.02 0.01 0.06 99.85 0.06 0.00 0.00 0.00 8 W H H 52.25 15.57 18.54 34.16 91.53 50.31 -64.08 -41.48 0.18 0.00 99.82 0.02 0.01 0.12 99.79 0.07 0.00 0.00 0.00 9 E H H 90.17 5.47 22.44 28.13 91.61 51.09 -63.94 -40.83 0.67 0.00 99.33 0.04 0.02 0.54 99.22 0.18 0.00 0.00 0.00 10 L H H 45.08 11.77 20.15 32.39 92.05 49.11 -65.42 -41.13 2.78 0.00 97.22 0.13 0.12 2.37 97.01 0.35 0.00 0.00 0.00 11 T H H 14.32 20.70 16.90 37.35 93.86 46.22 -72.26 -33.84 12.73 0.08 87.19 1.84 1.51 9.12 86.34 1.10 0.03 0.03 0.05 12 R H H 105.49 12.42 18.70 30.80 92.39 62.75 -62.51 -35.33 33.62 0.43 65.95 7.28 3.46 22.94 57.98 7.81 0.06 0.20 0.27 13 K H H 137.44 3.37 21.93 25.28 94.26 49.94 -80.70 -13.62 47.62 0.52 51.86 6.08 5.82 34.91 43.96 8.58 0.08 0.25 0.32 14 S C T 34.57 14.48 16.87 31.28 106.10 57.48 -101.28 36.67 60.15 2.31 37.54 20.67 13.38 27.77 26.51 9.24 0.11 1.01 1.29 15 N C C 46.47 16.53 18.24 33.91 102.02 92.73 -88.78 29.74 74.01 7.32 18.67 46.01 11.86 16.19 9.68 8.77 0.03 3.93 3.52 16 C C C 40.35 14.41 20.42 34.48 101.92 117.53 -89.34 7.93 78.05 6.84 15.11 30.97 25.35 23.41 4.17 9.86 0.03 4.67 1.54 17 F C S 47.80 16.44 20.08 36.15 108.10 91.12 -96.58 86.23 65.43 24.55 10.01 23.85 27.05 16.67 2.55 6.16 0.10 21.91 1.72 18 I E E 42.83 16.29 18.04 34.21 119.02 67.08 -99.56 132.84 17.80 79.66 2.55 14.09 3.53 1.43 1.46 1.12 0.00 76.63 1.74 19 K E E 73.98 11.73 18.31 30.60 125.54 -170.49 -119.46 140.61 6.74 92.84 0.43 5.91 0.71 0.19 0.29 0.14 0.00 90.86 1.90 20 K E E 105.73 8.52 15.56 25.21 116.41 -129.78 -92.46 133.37 15.74 83.85 0.41 14.06 1.37 0.32 0.23 0.17 0.00 82.24 1.61 21 N C C 57.70 10.01 9.94 21.28 116.29 -134.07 -89.78 142.44 60.32 39.03 0.65 51.79 5.66 1.22 0.20 0.41 0.00 39.37 1.34 22 K C C 156.15 1.95 11.31 14.48 102.23 -134.02 -81.99 4.98 83.99 12.40 3.60 33.74 31.22 19.78 0.62 2.98 0.01 10.18 1.47 23 A C T 86.58 1.67 9.38 12.21 111.90 58.93 -90.08 125.12 91.47 2.38 6.16 16.95 32.11 42.40 0.69 5.63 0.00 1.47 0.75 24 G C T 61.30 1.13 10.49 11.86 109.57 0.85 80.55 -113.58 92.83 1.66 5.51 22.75 28.61 40.85 0.51 5.74 0.00 0.96 0.57 25 K C C 154.17 2.15 9.53 12.96 107.86 -15.85 -84.20 83.87 91.61 4.53 3.87 35.22 29.21 27.13 0.39 4.05 0.00 2.92 1.08 26 K C C 150.20 2.47 11.03 15.10 110.19 -130.04 -84.63 120.83 87.14 11.23 1.64 43.53 27.42 16.39 0.18 1.78 0.00 9.44 1.25 27 G C C 30.25 7.90 13.22 22.41 125.08 30.06 -121.56 167.50 72.29 27.31 0.40 58.61 10.60 1.77 0.06 0.41 0.00 27.37 1.16 28 V E E 66.54 10.74 17.18 28.54 122.36 -133.13 -111.31 137.94 24.97 74.94 0.09 22.47 1.84 0.18 0.03 0.06 0.00 71.80 3.61 29 F E E 41.70 16.20 17.03 33.49 122.90 -155.06 -107.47 144.99 11.68 88.24 0.07 10.20 1.11 0.10 0.05 0.04 0.00 80.11 8.38 30 L E E 23.29 17.79 16.44 34.44 115.80 -115.36 -85.04 141.82 44.51 55.40 0.09 42.17 1.58 0.16 0.05 0.06 0.00 49.43 6.54 31 C C S 62.06 10.55 20.47 31.52 97.43 -161.58 -94.57 -9.66 97.81 2.16 0.03 34.26 63.43 0.59 0.00 0.03 0.00 1.30 0.39 32 D C S 45.78 11.62 17.41 30.23 111.96 95.24 -86.79 125.18 98.27 1.67 0.06 22.15 75.61 0.57 0.02 0.03 0.00 0.44 1.18 33 P C T 70.77 9.67 19.70 30.22 92.69 -134.87 -62.75 -21.46 99.46 0.24 0.30 0.49 4.50 94.45 0.01 0.31 0.00 0.13 0.10 34 L C T 58.57 13.45 19.36 33.03 94.38 54.88 -89.35 1.72 99.30 0.40 0.30 1.11 4.36 93.81 0.01 0.34 0.00 0.25 0.11 35 N C C 24.51 17.20 17.14 34.86 109.80 112.03 -80.43 117.92 85.22 13.60 1.17 59.18 21.53 3.29 0.26 1.08 0.00 4.24 10.42 36 V C S 42.90 16.72 19.99 36.18 97.41 -167.65 -89.50 -8.25 91.47 7.10 1.42 36.09 36.38 19.18 0.28 1.30 0.00 3.34 3.43 37 N C S 70.37 9.24 22.95 32.40 109.86 69.53 -99.31 80.72 85.31 12.47 2.22 25.39 41.13 18.73 0.49 1.79 0.02 5.59 6.85 38 Y C C 85.35 16.16 18.34 33.29 99.02 -115.42 60.33 36.09 86.59 10.32 3.08 42.34 31.30 13.07 0.64 2.60 0.02 4.45 5.59 39 K C C 87.90 9.72 22.72 32.49 112.83 137.56 -95.51 118.81 88.80 8.24 2.96 39.64 26.64 22.96 0.52 2.66 0.01 3.74 3.83 40 N C C 39.69 19.36 17.18 35.44 104.82 51.42 -94.82 65.39 90.67 6.89 2.43 51.57 23.00 15.86 0.45 2.17 0.00 2.87 4.08 41 T C C 39.15 9.30 22.85 33.02 132.08 128.32 -127.39 157.20 95.36 4.37 0.27 66.94 27.32 0.43 0.15 0.11 0.00 1.02 4.02 42 P C T 60.12 15.36 16.17 31.16 91.62 -111.65 -60.32 -30.95 55.90 0.22 43.88 1.77 4.22 49.82 7.12 36.79 0.00 0.11 0.16 43 S C T 72.45 5.50 21.33 27.87 91.83 62.00 -69.69 -20.64 55.96 0.18 43.86 1.18 3.60 51.31 6.18 37.50 0.00 0.10 0.13 44 S C T 31.01 15.09 18.45 33.49 99.20 45.83 -97.78 -1.13 54.81 1.20 43.99 4.56 8.05 41.29 7.28 37.43 0.02 0.67 0.71 45 S C C 14.53 21.31 16.75 37.10 105.03 82.49 -89.15 35.57 80.71 6.38 12.92 49.24 21.96 9.17 7.02 5.18 0.04 2.00 5.39 46 G C T 21.49 13.86 22.57 35.73 106.66 159.61 -40.32 -95.25 79.59 4.30 16.11 22.35 23.52 34.39 5.69 9.30 0.06 1.81 2.87 47 L C T 42.71 18.19 21.09 37.84 95.45 27.75 -74.48 -20.75 77.47 5.64 16.89 14.56 24.45 39.20 6.55 9.03 0.18 2.64 3.40 48 V C T 34.60 19.06 18.77 36.60 104.16 55.26 -92.57 12.54 71.95 10.69 17.36 22.14 25.48 25.49 6.99 8.84 0.32 4.69 6.05 49 K C C 80.42 12.00 19.71 31.36 120.60 98.68 -97.66 147.48 72.93 11.44 15.63 40.41 19.27 13.54 5.54 9.74 0.07 5.47 5.95 50 S C T 75.88 6.91 19.59 27.49 94.16 -117.58 -70.03 -14.83 83.80 3.23 12.98 8.24 20.54 55.62 2.34 9.88 0.02 2.20 1.15 51 N C T 79.61 9.88 20.57 30.57 100.14 58.99 -96.12 12.71 83.20 7.88 8.92 13.40 19.07 51.38 1.22 7.29 0.01 6.64 1.00 52 S E E 16.70 19.49 17.87 36.93 119.65 114.31 -88.40 145.19 49.53 49.69 0.77 40.99 6.94 1.45 0.14 0.67 0.00 48.28 1.53 53 T E E 14.88 21.73 20.42 41.34 128.84 -158.95 -127.04 144.69 5.45 94.53 0.02 5.11 0.31 0.03 0.01 0.01 0.00 94.14 0.38 54 N E E 42.14 13.12 26.35 39.50 124.45 -153.49 -108.27 144.62 1.66 98.34 0.00 1.49 0.08 0.01 0.00 0.00 0.00 98.39 0.03 55 V E E 10.39 24.60 17.30 42.06 121.70 -155.80 -117.12 130.38 1.04 98.95 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.97 0.02 56 T E E 54.99 7.69 24.97 33.06 127.63 -173.56 -127.77 141.43 0.95 99.04 0.01 0.81 0.04 0.01 0.00 0.00 0.00 99.12 0.02 57 L E E 61.40 16.36 13.23 29.18 113.96 -123.25 -83.24 128.91 5.18 94.73 0.09 4.18 0.43 0.12 0.01 0.05 0.00 95.13 0.07 58 K E E 102.01 5.97 14.20 21.88 122.83 172.51 -135.11 126.00 16.34 83.03 0.64 11.28 3.57 1.86 0.09 0.56 0.00 82.00 0.64 59 D C T 136.60 0.50 15.21 13.61 94.33 -16.77 51.95 43.43 98.03 0.99 0.98 2.03 10.39 85.53 0.04 1.07 0.00 0.82 0.12 60 G C T 42.52 7.53 13.70 22.28 94.67 -47.61 81.14 2.46 98.92 0.37 0.72 2.13 11.48 85.23 0.03 0.80 0.00 0.28 0.05 61 K E E 76.62 9.14 18.74 28.91 132.39 95.12 -123.17 153.22 9.11 90.80 0.08 5.72 2.93 0.59 0.01 0.06 0.00 90.43 0.26 62 V E E 8.99 22.67 15.40 38.87 116.64 -132.02 -99.59 128.48 1.00 99.00 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.11 0.02 63 V E E 26.48 12.13 24.37 37.57 122.05 -166.09 -113.95 134.84 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 64 F E E 13.68 21.97 19.81 41.82 120.11 -155.73 -109.41 129.95 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 65 S E E 14.00 14.80 22.57 38.16 124.03 -166.56 -113.99 141.93 1.15 98.84 0.00 0.97 0.05 0.00 0.00 0.00 0.00 98.95 0.02 66 V E E 21.28 16.57 19.43 36.55 128.47 -168.73 -126.28 143.93 3.52 96.44 0.04 3.05 0.30 0.04 0.01 0.01 0.00 96.45 0.14 67 K E E 64.39 11.86 17.23 30.08 117.30 -131.96 -98.14 133.98 21.08 78.65 0.27 18.38 2.33 0.38 0.10 0.15 0.00 77.74 0.92 68 T C E 51.15 8.96 14.41 24.89 116.98 -140.43 -93.07 142.01 54.01 44.97 1.03 43.39 7.87 2.00 0.33 0.71 0.00 44.03 1.66 69 S C C 71.21 5.26 11.70 18.46 105.07 -122.16 -78.34 38.77 81.80 13.41 4.79 34.24 27.62 21.10 0.93 3.61 0.01 10.95 1.54 70 K C S 155.09 1.77 11.58 14.05 102.96 61.10 -84.82 -8.05 89.62 3.82 6.57 26.32 33.55 30.54 1.21 4.90 0.00 2.41 1.07 71 E C C 127.07 3.40 10.33 15.23 110.96 37.15 -101.95 97.38 88.74 4.72 6.54 35.57 28.85 24.94 1.10 5.36 0.00 2.90 1.27 72 S C C 73.43 4.27 10.50 16.36 107.76 -113.95 -77.88 101.55 90.27 6.23 3.51 44.07 18.37 28.05 0.57 3.05 0.00 5.00 0.88 73 N C C 103.01 5.43 11.59 18.45 104.39 26.98 -86.71 44.58 81.19 16.34 2.47 51.05 15.82 14.14 0.43 2.26 0.00 14.99 1.31 74 V C C 79.97 5.50 14.15 21.26 117.75 131.25 -102.96 130.82 70.14 29.29 0.57 60.77 6.92 1.05 0.17 0.38 0.00 29.62 1.08 75 V E E 65.11 12.24 12.15 24.91 117.37 -141.46 -94.22 135.85 48.36 51.31 0.33 45.47 1.48 0.35 0.10 0.18 0.00 51.63 0.79 76 N E E 74.34 8.80 16.02 25.77 121.95 -167.82 -109.73 142.37 20.66 78.90 0.45 17.16 2.62 0.59 0.16 0.24 0.00 78.69 0.55 77 Q E E 87.16 11.68 15.21 27.27 126.31 -157.81 -125.07 139.27 7.85 91.92 0.23 6.62 0.81 0.20 0.08 0.10 0.00 91.99 0.20 78 H E E 87.63 10.34 17.24 28.30 125.03 -168.92 -122.83 136.83 5.13 94.72 0.14 4.77 0.27 0.06 0.06 0.05 0.00 94.58 0.22 79 F E E 86.25 12.52 16.84 29.63 120.45 -154.43 -106.21 134.01 9.72 90.07 0.21 8.71 0.84 0.14 0.11 0.08 0.00 89.53 0.59 80 K E E 78.59 12.01 16.68 29.09 117.53 -163.06 -108.72 133.65 32.07 67.06 0.87 27.68 3.57 0.71 0.42 0.44 0.00 65.62 1.56 81 A C C 39.61 11.57 14.29 26.71 116.44 -136.56 -86.43 140.97 72.61 25.50 1.89 58.31 11.07 2.45 0.78 1.08 0.00 24.72 1.59 82 K C S 133.41 5.45 16.10 22.63 99.93 -143.27 -86.63 -18.46 91.85 5.04 3.10 26.76 58.70 6.89 1.62 1.20 0.00 3.80 1.01 83 N C C 75.95 4.26 17.67 22.47 123.20 40.30 -119.97 149.96 91.37 3.15 5.48 49.50 35.86 6.30 3.87 1.59 0.00 1.45 1.43 84 M H H 82.36 12.69 12.25 25.13 93.59 -124.83 -61.77 -36.79 16.97 0.31 82.72 6.31 5.39 6.55 79.06 2.37 0.03 0.13 0.15 85 K H H 139.01 1.78 18.26 19.64 92.10 54.13 -64.66 -40.15 12.11 0.19 87.70 3.34 2.35 6.81 84.60 2.64 0.08 0.10 0.09 86 N H H 72.62 4.29 18.35 23.27 92.18 49.01 -66.04 -39.56 9.43 0.26 90.31 4.38 1.59 4.19 86.79 2.78 0.03 0.15 0.09 87 V H H 15.87 18.19 13.66 32.12 91.95 51.49 -63.90 -42.61 4.40 0.10 95.51 2.24 0.74 1.69 94.17 1.07 0.01 0.05 0.03 88 E H H 75.95 9.99 19.57 30.01 91.37 51.07 -63.41 -41.31 2.28 0.05 97.66 1.09 0.30 0.90 97.26 0.41 0.00 0.03 0.01 89 K H H 116.23 1.93 23.57 23.63 91.85 49.99 -64.71 -41.40 1.88 0.05 98.08 0.76 0.22 0.82 97.80 0.36 0.00 0.02 0.01 90 L H H 38.07 11.28 19.44 31.78 91.91 50.02 -64.52 -41.94 1.60 0.04 98.36 0.60 0.19 0.73 98.16 0.29 0.00 0.02 0.01 91 L H H 21.87 19.65 16.77 36.08 92.00 50.70 -63.66 -42.00 1.53 0.04 98.43 0.55 0.17 0.72 98.26 0.26 0.00 0.02 0.01 92 Q H H 100.81 4.96 21.51 26.98 91.67 50.72 -64.08 -40.67 2.53 0.06 97.41 0.81 0.27 1.32 97.16 0.39 0.01 0.03 0.01 93 Q H H 102.38 2.89 22.42 24.63 92.19 49.35 -66.10 -40.83 5.33 0.10 94.57 1.47 0.59 3.09 94.19 0.58 0.01 0.05 0.02 94 H H H 46.14 14.44 18.02 32.48 92.81 48.62 -67.72 -39.23 9.18 0.17 90.65 2.83 1.29 4.90 89.96 0.86 0.02 0.08 0.06 95 G H H 18.51 13.95 16.65 30.80 92.89 54.33 -64.30 -39.31 17.98 0.31 81.70 7.91 2.69 7.70 79.56 1.85 0.02 0.14 0.13 96 S H H 67.13 3.04 20.62 23.31 93.11 55.03 -67.37 -34.29 27.08 0.44 72.48 11.23 3.86 12.29 69.31 2.90 0.02 0.21 0.18 97 F H H 98.70 6.80 17.91 25.36 94.03 53.32 -73.81 -31.83 29.26 0.73 70.00 13.89 5.10 11.53 65.16 3.64 0.03 0.37 0.29 98 E H H 57.78 14.52 13.26 27.62 99.37 64.84 -74.29 -29.78 31.50 1.05 67.45 18.83 6.07 8.09 63.10 2.99 0.02 0.51 0.40 99 K H H 119.81 5.13 16.11 22.09 101.77 60.02 -75.77 -25.63 36.08 0.83 63.09 21.44 6.00 9.40 59.54 2.88 0.01 0.39 0.34 100 A H H 67.92 3.82 15.04 19.73 98.22 55.19 -70.52 -35.33 30.12 0.66 69.22 11.22 6.74 13.35 63.73 4.29 0.07 0.31 0.30 101 K H H 128.71 3.03 16.09 19.51 97.23 44.69 -75.66 -33.00 36.33 0.46 63.21 6.53 6.71 23.72 58.17 4.30 0.11 0.21 0.25 102 N H H 56.41 9.09 14.85 24.96 98.33 45.24 -81.61 -29.04 38.18 0.59 61.23 13.04 5.48 20.80 56.53 3.50 0.05 0.27 0.33 103 K H H 77.21 12.14 14.11 26.48 93.26 68.58 -62.61 -41.27 5.78 0.05 94.17 2.95 0.88 1.87 93.49 0.77 0.00 0.02 0.01 104 E H H 120.44 2.10 19.40 21.00 92.25 51.58 -65.18 -40.51 2.20 0.02 97.78 0.88 0.29 0.99 97.29 0.53 0.00 0.01 0.01 105 K H H 102.56 3.57 19.62 23.24 91.95 49.81 -65.23 -41.08 1.10 0.01 98.89 0.39 0.14 0.52 98.53 0.40 0.00 0.00 0.00 106 L H H 29.51 14.90 15.59 31.22 92.07 50.45 -64.65 -42.26 0.66 0.00 99.34 0.20 0.07 0.32 99.23 0.18 0.00 0.00 0.00 107 L H H 62.05 9.09 18.39 28.30 91.83 50.78 -63.65 -41.26 0.48 0.00 99.52 0.12 0.04 0.24 99.52 0.07 0.00 0.00 0.00 108 K H H 114.14 1.95 21.45 21.93 91.61 50.51 -63.96 -41.70 0.30 0.00 99.70 0.06 0.02 0.15 99.71 0.04 0.00 0.00 0.00 109 K H H 79.60 7.81 18.91 27.47 92.04 49.72 -65.12 -41.25 0.29 0.00 99.70 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 110 Y H H 53.11 14.78 15.76 30.73 91.97 50.79 -64.39 -41.74 0.30 0.00 99.70 0.04 0.02 0.18 99.70 0.06 0.00 0.00 0.00 111 K H H 110.10 3.79 19.06 23.30 91.67 51.21 -63.56 -40.88 0.52 0.00 99.48 0.07 0.03 0.34 99.43 0.13 0.00 0.00 0.00 112 R H H 123.39 2.27 18.48 20.20 91.67 50.35 -64.59 -40.80 1.13 0.00 98.86 0.13 0.06 0.80 98.64 0.37 0.00 0.00 0.00 113 L H H 49.89 9.72 13.96 25.06 92.67 50.53 -65.91 -38.52 2.34 0.01 97.65 0.30 0.15 1.64 96.84 1.05 0.00 0.00 0.00 114 S H H 48.46 8.72 12.07 22.05 92.27 54.13 -67.07 -32.25 12.75 0.04 87.21 1.16 0.75 10.36 84.59 3.09 0.01 0.01 0.02 115 K H H 152.41 1.26 13.87 14.94 93.27 56.18 -72.17 -24.38 37.20 0.14 62.66 2.79 1.99 31.21 60.06 3.78 0.02 0.06 0.08 116 L C H 111.72 2.82 11.56 15.49 97.18 58.35 -80.04 -19.06 50.41 0.39 49.20 18.68 1.67 28.83 47.80 2.62 0.00 0.15 0.25 117 Y C C 118.66 8.64 10.49 19.96 107.90 68.91 -94.34 74.60 99.88 0.07 0.05 99.74 0.10 0.08 0.03 0.00 0.00 0.03 0.01