# 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 A C C 60.57 8.32 15.71 24.60 113.57 -136.22 -83.56 140.85 99.72 0.24 0.04 99.50 0.25 0.06 0.02 0.01 0.00 0.11 0.06 1 A C C 49.25 10.73 10.81 22.28 117.05 -120.06 -88.56 138.16 98.23 1.05 0.72 96.63 1.27 0.48 0.42 0.14 0.00 0.37 0.69 2 P C C 67.94 7.40 11.33 20.30 112.61 -104.95 -65.72 147.87 90.33 1.34 8.33 77.50 5.32 7.96 2.96 4.80 0.00 0.73 0.74 3 K C C 156.33 2.41 12.03 15.58 98.98 -129.86 -74.05 -21.87 77.40 3.45 19.15 40.05 19.22 18.77 5.63 12.96 0.01 1.82 1.54 4 N C C 111.58 3.15 12.21 16.67 106.96 50.25 -97.11 69.90 71.53 6.15 22.31 36.48 19.78 16.52 6.82 14.54 0.04 3.51 2.30 5 R C C 122.94 8.06 10.68 19.94 110.35 111.32 -91.09 102.63 73.83 8.93 17.24 53.63 12.93 6.92 10.20 7.34 0.02 5.34 3.61 6 R C C 112.14 8.68 12.20 21.92 116.18 96.06 -92.13 136.50 80.93 8.55 10.52 65.96 11.31 2.61 9.73 1.74 0.00 4.37 4.27 7 T C C 55.60 6.68 13.47 21.87 117.37 -123.00 -78.92 157.98 83.56 3.88 12.56 74.14 6.82 1.72 12.92 0.92 0.00 1.56 1.93 8 I H H 102.74 4.73 14.04 20.30 92.81 -111.93 -61.28 -36.51 9.25 0.24 90.51 3.69 1.98 4.13 87.70 2.27 0.03 0.12 0.08 9 E H H 99.94 3.83 15.55 20.29 92.59 53.58 -65.40 -39.77 8.57 0.32 91.11 2.94 1.47 4.64 87.66 2.95 0.04 0.21 0.09 10 V H H 51.95 7.60 14.34 23.66 92.86 48.88 -66.03 -40.75 7.71 0.34 91.95 2.87 1.31 4.03 87.93 3.51 0.03 0.23 0.09 11 N H H 56.18 7.99 14.07 23.67 92.72 50.54 -65.41 -40.41 9.99 0.41 89.60 4.01 1.70 4.87 86.22 2.78 0.04 0.24 0.13 12 R H H 120.38 3.16 16.61 20.24 92.56 50.96 -65.90 -38.91 17.08 0.63 82.30 5.19 2.59 10.19 77.46 3.91 0.08 0.37 0.22 13 C H H 58.88 4.64 14.75 20.76 92.64 51.58 -67.39 -38.66 22.89 0.78 76.33 8.19 4.02 12.13 70.28 4.56 0.08 0.42 0.32 14 R H H 101.58 8.39 12.44 22.01 93.49 54.43 -69.09 -32.43 30.20 1.24 68.55 11.02 5.54 15.63 60.33 6.16 0.12 0.66 0.55 15 R H H 137.79 4.77 13.26 19.21 94.62 55.88 -71.87 -30.76 41.18 1.21 57.61 12.85 7.31 22.73 49.86 5.94 0.11 0.59 0.61 16 R C H 163.66 1.67 13.52 15.21 97.62 49.50 -81.90 -23.77 56.75 1.37 41.88 16.52 18.31 24.14 35.13 4.40 0.12 0.48 0.90 17 N C C 74.46 4.77 10.59 17.29 112.20 35.11 -119.35 98.53 97.07 0.73 2.19 73.62 20.92 2.41 1.43 0.75 0.00 0.26 0.61 18 P H G 90.23 4.90 9.90 16.89 94.48 -169.86 -64.34 -25.79 43.84 0.36 55.80 8.19 4.91 29.34 12.14 45.02 0.00 0.20 0.19 19 Q H G 135.34 1.71 12.03 14.43 95.40 61.89 -76.72 -14.95 40.33 0.43 59.24 4.98 4.61 29.09 15.09 45.73 0.01 0.23 0.25 20 K H G 110.38 5.46 10.84 17.85 99.26 64.62 -87.88 3.14 36.27 1.49 62.24 14.76 7.67 14.85 15.96 45.35 0.02 0.81 0.57 21 L C C 89.37 7.43 10.90 19.60 99.38 105.60 -76.50 -19.35 63.76 4.39 31.85 34.69 15.44 14.04 16.77 14.60 0.04 2.17 2.25 22 I C C 95.27 7.19 11.58 20.01 107.06 68.51 -91.38 64.74 70.18 8.22 21.60 41.68 17.28 11.60 11.48 9.90 0.05 4.81 3.20 23 K C C 134.93 3.33 14.79 19.47 114.91 124.25 -92.96 127.78 80.22 7.87 11.91 55.16 19.46 5.68 6.46 5.48 0.01 5.35 2.40 24 V C C 76.91 10.26 11.27 22.26 114.21 -129.72 -85.69 133.44 83.75 8.50 7.76 71.71 8.15 3.38 4.75 3.11 0.00 5.50 3.40 25 K C C 102.26 8.91 11.95 21.82 112.59 -131.96 -80.25 136.21 87.98 5.06 6.96 74.94 7.99 4.89 2.89 3.92 0.00 3.05 2.31 26 N C C 117.70 3.35 15.03 19.58 99.76 -156.06 -91.57 -1.27 91.87 3.17 4.96 36.20 32.89 23.37 0.94 3.78 0.00 1.94 0.88 27 N C C 81.73 7.18 15.60 23.73 101.36 64.21 -98.77 26.96 89.73 7.43 2.84 43.81 21.99 24.18 0.35 2.76 0.00 6.09 0.82 28 I C E 48.18 17.00 11.35 27.83 118.72 114.19 -97.65 131.13 50.36 49.41 0.23 45.25 4.15 0.39 0.07 0.18 0.00 47.84 2.12 29 D E E 66.98 6.82 20.08 27.62 126.62 -171.38 -117.23 148.69 10.80 89.13 0.07 9.50 1.07 0.12 0.02 0.04 0.00 88.23 1.02 30 V E E 78.83 8.65 17.96 27.44 115.70 -111.20 -82.88 136.87 5.81 94.15 0.04 5.57 0.31 0.02 0.04 0.02 0.00 79.64 14.39 31 C C C 12.30 18.85 9.46 28.83 109.79 -113.43 -68.67 128.01 93.43 6.54 0.03 93.88 0.48 0.08 0.01 0.01 0.00 4.99 0.56 32 P C T 103.08 2.55 17.15 20.48 92.44 -148.79 -68.82 -23.05 99.62 0.09 0.29 0.60 8.14 90.91 0.01 0.26 0.00 0.06 0.02 33 E C T 120.95 3.85 15.21 20.11 99.82 44.32 -82.25 -40.68 99.71 0.06 0.23 0.07 3.37 96.36 0.00 0.16 0.00 0.02 0.01 34 C C T 56.50 6.91 13.18 21.75 102.84 19.13 -108.14 -14.08 99.71 0.08 0.21 0.29 4.07 95.41 0.01 0.17 0.00 0.04 0.02 35 G C C 42.24 5.45 15.03 22.05 95.32 -120.21 80.18 6.55 99.32 0.56 0.12 81.12 15.28 2.88 0.03 0.10 0.00 0.30 0.29 36 H C C 78.32 7.22 15.53 24.54 119.11 137.48 -78.88 148.19 94.37 5.60 0.03 86.73 8.05 0.10 0.01 0.02 0.00 4.24 0.86 37 L E E 79.44 8.88 18.33 27.92 112.83 -107.06 -72.30 136.67 2.98 97.00 0.01 2.78 0.17 0.01 0.01 0.01 0.00 91.56 5.47 38 K E E 42.16 16.71 13.39 30.13 134.66 177.34 -136.79 156.05 3.86 96.13 0.02 3.72 0.25 0.02 0.00 0.01 0.00 95.01 0.98 39 Q E E 80.61 7.35 19.57 27.51 117.00 -106.66 -77.19 145.87 27.38 72.47 0.15 25.45 1.39 0.24 0.04 0.13 0.00 69.95 2.81 40 K C T 104.57 9.51 16.59 26.82 110.19 -84.79 -59.11 135.07 96.99 2.23 0.78 1.70 6.96 88.60 0.04 0.74 0.00 1.68 0.28 41 H C T 105.63 8.92 18.17 27.84 92.43 10.52 70.31 13.35 98.25 1.11 0.65 1.81 7.74 88.72 0.03 0.67 0.00 0.89 0.14 42 V C C 52.01 9.79 19.99 30.85 129.10 105.68 -121.19 147.86 55.39 43.75 0.87 30.39 24.49 2.13 0.34 0.65 0.02 30.01 11.96 43 L C C 35.22 17.72 17.00 34.58 114.85 -112.82 -80.06 139.39 51.12 48.38 0.49 42.50 5.46 0.66 0.29 0.28 0.00 29.24 21.57 44 C C C 19.50 15.18 16.35 32.44 116.67 -114.04 -75.72 151.41 92.24 6.63 1.13 89.22 2.65 0.76 0.82 0.28 0.00 4.36 1.92 45 A H H 59.77 6.32 19.97 27.19 92.16 -117.25 -60.83 -35.34 33.99 0.37 65.64 2.47 5.50 26.30 60.55 4.56 0.24 0.15 0.23 46 Y H H 114.93 4.76 21.77 26.62 92.24 54.33 -66.71 -37.96 27.64 0.26 72.10 1.39 2.77 23.51 67.18 4.61 0.26 0.11 0.17 47 C H H 9.32 19.02 16.08 35.43 92.41 50.46 -65.45 -41.44 11.27 0.20 88.54 2.95 1.45 7.20 84.02 4.09 0.08 0.09 0.12 48 Y H H 59.52 15.15 18.35 33.25 91.83 52.89 -63.32 -42.22 0.90 0.01 99.09 0.29 0.10 0.44 98.95 0.21 0.00 0.00 0.00 49 E H H 105.65 2.72 23.49 25.21 91.72 50.08 -64.20 -41.97 0.24 0.00 99.76 0.04 0.02 0.14 99.74 0.06 0.00 0.00 0.00 50 K H H 76.79 7.94 21.38 29.86 92.10 48.83 -65.12 -42.18 0.25 0.00 99.74 0.04 0.02 0.16 99.72 0.07 0.00 0.00 0.00 51 V H H 12.81 19.96 17.15 37.16 92.14 49.01 -64.52 -42.90 0.56 0.01 99.44 0.08 0.03 0.37 99.46 0.05 0.00 0.00 0.00 52 C H H 49.01 9.75 20.47 30.73 91.67 50.93 -63.31 -42.12 0.64 0.00 99.35 0.10 0.03 0.40 99.43 0.03 0.00 0.00 0.00 53 K H H 122.53 1.98 23.81 24.24 91.89 49.08 -64.50 -41.83 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 54 E H H 47.41 10.84 19.96 31.72 92.09 48.67 -65.65 -41.93 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 55 T H H 18.69 17.13 17.26 34.66 92.00 49.89 -64.54 -41.83 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 56 A H H 47.40 4.77 20.93 26.26 91.35 50.94 -63.57 -41.38 0.22 0.00 99.78 0.02 0.01 0.15 99.82 0.01 0.00 0.00 0.00 57 E H H 93.33 2.83 21.93 23.91 91.67 50.31 -64.43 -41.64 0.28 0.00 99.72 0.02 0.01 0.20 99.75 0.02 0.00 0.00 0.00 58 I H H 34.38 12.30 17.81 31.20 92.08 48.94 -64.98 -42.10 0.31 0.00 99.69 0.03 0.01 0.22 99.71 0.03 0.00 0.00 0.00 59 R H H 82.26 12.96 17.13 30.03 91.77 52.06 -62.82 -41.21 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 60 R H H 145.99 2.00 20.22 21.51 91.72 50.16 -64.11 -40.63 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 61 Q H H 89.26 3.11 19.33 22.17 91.98 49.05 -65.38 -41.05 0.52 0.00 99.48 0.06 0.03 0.34 99.52 0.06 0.00 0.00 0.00 62 I H H 32.97 11.05 14.05 26.82 92.32 49.24 -65.22 -41.40 0.95 0.01 99.04 0.15 0.09 0.60 99.01 0.15 0.00 0.00 0.00 63 G H H 23.22 7.93 12.75 22.69 92.32 51.97 -63.70 -40.28 2.12 0.02 97.85 0.44 0.19 1.35 97.58 0.43 0.00 0.01 0.01 64 K H H 156.00 0.91 15.58 15.30 92.59 49.52 -66.39 -37.82 3.10 0.02 96.88 0.45 0.25 2.28 96.02 0.97 0.01 0.01 0.01 65 Q H H 125.94 2.27 13.71 16.53 94.60 47.86 -73.25 -32.35 5.82 0.06 94.12 0.48 0.57 4.79 93.12 0.96 0.03 0.02 0.03 66 E H H 96.99 6.29 10.10 17.85 99.76 39.56 -96.77 -1.98 32.17 0.20 67.63 1.62 3.26 26.99 66.54 1.28 0.10 0.07 0.14 67 G C T 62.39 0.79 13.95 13.73 99.93 -110.77 79.79 15.57 98.25 0.16 1.59 15.08 11.55 71.86 0.76 0.59 0.00 0.08 0.09 68 G C C 35.04 4.96 10.83 17.56 128.75 3.29 140.98 178.55 96.92 1.02 2.07 51.63 38.71 6.15 0.33 2.00 0.00 0.38 0.80 69 P C T 103.82 3.12 12.87 17.09 96.22 -50.72 -69.96 -17.06 89.47 0.76 9.77 14.90 23.08 49.06 0.53 11.68 0.00 0.41 0.34 70 F C T 114.70 7.40 10.33 18.89 103.76 69.32 -88.28 33.99 86.31 1.67 12.02 19.32 21.97 43.69 0.90 12.49 0.00 0.82 0.80 71 K C C 144.85 2.59 16.88 20.29 110.00 -152.16 -90.40 111.76 89.69 2.55 7.75 53.11 29.77 5.77 1.25 7.05 0.00 0.98 2.07 72 A C C 38.47 15.34 9.64 24.50 117.85 -130.88 -73.16 147.28 98.45 0.91 0.63 85.85 12.08 0.53 0.25 0.32 0.00 0.35 0.61 73 P C C 52.44 9.40 13.22 24.17 114.01 -105.40 -66.78 150.03 95.73 1.32 2.95 91.01 3.05 1.67 0.69 2.27 0.00 0.61 0.69 74 T C C 111.12 2.37 15.25 18.56 96.67 -125.65 -78.51 -11.91 91.59 3.42 5.00 56.35 30.96 4.45 1.07 3.92 0.00 1.74 1.51 75 I C S 86.79 6.67 14.29 22.56 125.15 63.44 -119.33 144.65 85.10 9.69 5.22 41.03 41.91 3.37 1.25 3.50 0.00 7.05 1.90 76 E C C 93.37 9.19 16.12 26.16 112.81 -118.98 -83.04 132.93 73.04 22.44 4.52 64.11 6.14 1.92 1.04 3.32 0.00 22.35 1.11 77 T E E 37.53 14.89 15.14 30.50 122.49 -153.15 -112.98 136.08 31.01 67.80 1.19 28.66 2.01 0.45 0.61 0.60 0.00 66.02 1.67 78 V E E 38.92 12.77 19.72 33.52 120.93 -162.55 -115.95 130.13 12.11 87.62 0.27 11.31 0.87 0.16 0.16 0.12 0.00 86.40 0.98 79 V E E 31.11 15.78 19.40 35.70 115.66 -151.21 -103.12 124.67 10.56 89.29 0.14 10.05 0.54 0.09 0.08 0.06 0.00 88.28 0.89 80 L E E 38.82 13.54 17.95 32.51 118.20 -159.36 -102.40 133.21 29.39 70.48 0.14 27.56 1.46 0.15 0.07 0.08 0.00 68.78 1.89 81 Y C C 61.54 11.86 14.64 27.85 116.61 -132.71 -83.89 141.91 64.19 35.63 0.18 59.62 3.39 0.33 0.07 0.12 0.00 32.71 3.76 82 T C T 91.12 6.01 13.96 21.53 108.51 -93.31 -61.19 132.73 97.94 1.56 0.49 2.39 8.98 86.81 0.04 0.42 0.00 1.10 0.27 83 G C T 66.34 0.54 15.14 13.63 95.99 17.88 84.65 -1.85 99.44 0.28 0.28 2.29 10.52 86.64 0.02 0.28 0.00 0.20 0.06 84 E C C 71.60 10.60 8.26 19.80 120.84 117.63 -89.45 146.99 97.57 2.12 0.31 73.07 23.93 0.59 0.07 0.25 0.00 0.77 1.31 85 T C C 107.50 1.46 17.40 18.63 117.37 -136.55 -99.79 133.40 99.19 0.77 0.04 96.54 2.67 0.09 0.01 0.02 0.00 0.29 0.38 86 P C C 51.85 16.02 8.73 23.90 114.80 -111.31 -65.20 144.66 98.79 0.95 0.25 96.85 1.58 0.44 0.08 0.12 0.00 0.40 0.54 87 S C C 50.56 5.02 13.79 20.23 123.84 -137.83 -91.53 163.55 98.40 0.75 0.86 94.72 2.81 0.82 0.29 0.44 0.00 0.28 0.64 88 E H G 158.28 1.28 12.56 14.51 91.05 -106.12 -60.17 -32.18 24.54 0.42 75.04 5.31 4.53 13.71 3.49 72.60 0.00 0.27 0.08 89 Q H G 130.11 2.03 13.32 16.10 91.52 61.78 -68.75 -22.78 23.80 0.34 75.86 2.77 3.16 16.33 3.05 74.40 0.00 0.23 0.07 90 D H G 31.36 15.56 8.59 23.88 96.93 49.01 -97.36 0.45 24.78 0.58 74.65 6.20 3.85 13.62 2.93 72.92 0.00 0.36 0.13 91 Q C T 114.40 5.44 11.74 19.54 109.26 118.06 -63.67 127.63 95.96 0.95 3.10 5.04 4.66 86.59 0.95 1.63 0.00 0.41 0.72 92 G C T 62.18 1.27 15.72 16.45 95.39 14.60 82.44 -0.07 98.34 0.26 1.40 2.61 7.67 88.20 0.21 1.05 0.00 0.17 0.10 93 K C S 95.23 8.10 12.88 22.53 122.44 114.68 -93.99 147.41 95.09 4.16 0.75 46.50 46.60 2.57 0.16 0.60 0.00 2.65 0.92 94 R E E 114.41 8.61 16.38 25.96 112.54 -119.62 -86.36 127.44 45.01 54.51 0.48 40.51 3.07 0.72 0.18 0.33 0.00 49.37 5.82 95 I E E 47.58 15.67 14.29 30.08 117.29 -160.92 -104.52 128.05 26.85 72.98 0.17 25.17 1.24 0.14 0.10 0.09 0.00 70.47 2.79 96 I E E 57.60 11.18 16.87 29.09 119.44 -160.23 -108.79 130.67 26.15 73.66 0.19 24.17 1.46 0.18 0.11 0.09 0.00 72.67 1.32 97 E E E 99.25 9.51 14.69 25.11 121.38 -153.78 -109.01 133.31 32.30 67.44 0.25 29.58 2.27 0.35 0.11 0.17 0.00 64.52 3.00 98 R C C 99.30 8.88 12.38 22.66 125.07 -171.05 -121.06 144.76 66.56 33.31 0.13 62.62 3.16 0.27 0.04 0.10 0.00 32.06 1.76 99 D C C 122.02 1.67 14.30 16.76 109.26 -111.08 -75.02 127.06 82.16 17.71 0.13 73.57 7.28 0.54 0.03 0.13 0.00 17.20 1.26 100 R C C 109.21 8.19 9.28 18.94 127.44 159.55 -121.49 151.13 86.99 12.91 0.10 77.26 9.50 0.35 0.03 0.09 0.00 10.72 2.04 101 K C C 160.50 1.24 15.34 16.42 113.83 -103.54 -75.53 141.41 88.40 11.51 0.09 87.04 2.15 0.16 0.03 0.05 0.00 6.51 4.07 102 R C C 107.76 12.20 8.43 20.70 116.02 -110.42 -76.06 141.94 98.83 1.13 0.04 97.04 1.99 0.07 0.01 0.01 0.00 0.49 0.38 103 P C C 47.45 8.88 10.09 20.91 114.27 -105.04 -64.59 148.39 98.39 0.71 0.91 96.29 1.44 0.73 0.13 0.76 0.00 0.28 0.36 104 S C G 95.33 1.05 13.20 14.12 92.17 -121.01 -63.75 -26.03 53.27 0.49 46.23 9.17 10.12 29.55 0.85 49.85 0.00 0.27 0.20 105 W C G 145.58 5.59 10.75 17.94 92.79 66.65 -73.50 -17.27 52.50 0.68 46.82 6.44 9.89 32.91 1.01 49.14 0.00 0.37 0.25 106 F C G 77.78 11.66 8.34 20.33 100.08 58.38 -95.20 6.31 54.73 1.51 43.76 34.49 4.86 11.77 1.70 45.85 0.00 0.86 0.47 107 T C C 83.67 5.17 13.10 19.68 107.71 86.34 -92.17 63.45 99.50 0.16 0.33 98.79 0.40 0.46 0.09 0.12 0.00 0.08 0.05