# 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 63.33 7.71 13.91 22.42 112.90 -138.88 -84.56 134.95 99.83 0.15 0.02 99.66 0.20 0.04 0.01 0.00 0.00 0.07 0.03 1 V C C 79.06 7.95 9.91 19.18 117.04 -139.61 -97.37 131.34 96.80 2.90 0.30 95.23 1.62 0.24 0.18 0.06 0.00 1.10 1.57 2 P C C 79.50 4.88 10.38 17.11 113.49 -108.48 -66.35 148.52 93.86 2.21 3.93 85.38 4.45 4.44 1.47 1.95 0.00 1.37 0.94 3 K C C 155.09 2.64 9.66 13.86 109.06 -122.60 -79.22 118.91 85.05 3.91 11.04 61.34 13.86 9.77 4.42 6.57 0.00 2.12 1.92 4 K C C 146.85 2.71 10.00 14.27 112.84 -100.27 -92.82 126.20 80.39 6.07 13.54 53.96 17.47 9.13 5.97 7.45 0.01 3.46 2.54 5 K C C 135.54 4.01 10.45 16.29 114.76 -140.65 -93.96 133.74 79.70 7.85 12.45 61.06 12.56 5.57 8.19 4.73 0.01 4.63 3.26 6 V C C 67.28 8.88 9.51 19.67 119.06 -136.48 -92.60 142.21 86.24 6.33 7.43 74.32 9.40 1.93 7.05 1.16 0.00 3.14 3.00 7 S C C 48.89 4.52 12.35 18.69 116.80 -111.65 -72.22 155.39 86.48 3.64 9.88 79.57 4.94 1.42 10.06 0.77 0.00 1.58 1.66 8 H H H 128.38 3.44 12.33 17.30 92.62 -111.83 -60.50 -35.95 12.28 0.23 87.50 4.94 2.85 5.44 84.10 2.46 0.02 0.11 0.08 9 Q H H 111.92 2.29 13.77 16.62 92.19 54.89 -65.09 -38.80 10.56 0.28 89.16 3.70 2.07 5.65 85.26 3.02 0.04 0.17 0.08 10 K H H 91.83 5.43 13.10 20.00 92.63 49.93 -66.99 -38.51 8.03 0.37 91.59 3.88 1.51 3.61 87.22 3.40 0.03 0.26 0.09 11 K H H 93.31 6.79 13.40 21.59 92.35 52.78 -64.96 -40.51 6.68 0.29 93.03 3.16 1.16 2.98 89.70 2.72 0.02 0.19 0.07 12 R H H 130.16 3.33 15.62 19.54 92.34 50.28 -65.95 -38.26 9.24 0.37 90.38 3.53 1.32 4.90 86.57 3.30 0.03 0.26 0.09 13 Q H H 94.20 4.30 15.30 20.49 93.26 51.52 -68.51 -36.37 13.02 0.52 86.46 4.85 2.05 6.83 81.37 4.37 0.05 0.33 0.15 14 K H H 92.01 8.25 13.59 22.86 93.93 53.51 -69.84 -32.74 21.62 0.94 77.44 7.47 3.49 11.74 70.25 6.05 0.09 0.56 0.36 15 L H H 89.71 6.54 14.14 21.75 96.11 57.50 -75.70 -19.44 36.50 1.35 62.15 10.87 5.79 21.24 54.97 5.65 0.14 0.71 0.64 16 Y C H 145.36 3.82 13.33 18.22 100.71 57.52 -90.66 -1.86 56.40 2.62 40.98 19.05 15.43 24.14 34.39 4.24 0.21 0.99 1.54 17 G C C 30.54 7.72 9.86 18.97 120.73 107.80 -90.81 165.92 90.99 2.22 6.80 45.92 35.43 9.75 3.74 2.81 0.00 0.88 1.47 18 P C T 108.21 2.11 11.89 14.76 105.14 -77.78 -70.87 129.37 81.80 1.21 16.99 25.47 15.69 41.06 4.62 11.83 0.00 0.60 0.74 19 G C T 56.38 2.10 11.60 14.46 104.87 20.29 38.16 -35.28 78.32 1.27 20.41 19.30 15.83 43.53 5.39 14.54 0.01 0.61 0.81 20 K C C 132.04 4.42 10.18 15.96 103.20 36.48 -82.32 38.40 72.17 1.96 25.88 30.82 18.46 23.68 7.31 17.56 0.02 0.84 1.32 21 K C C 127.16 4.30 11.57 17.16 101.46 118.29 -79.13 -8.73 68.74 2.55 28.71 29.30 17.96 22.33 10.14 17.56 0.03 1.12 1.56 22 Q C C 104.16 4.91 13.12 19.17 102.13 73.81 -71.37 8.82 63.44 4.09 32.47 31.94 15.27 16.84 12.29 19.62 0.05 2.04 1.96 23 L C C 73.17 10.28 10.86 21.76 96.47 63.43 -71.74 -26.22 51.61 5.77 42.62 34.77 8.84 8.55 16.11 26.34 0.02 3.66 1.71 24 K C C 121.60 4.62 14.29 20.20 95.51 66.56 -68.95 -30.31 54.60 6.44 38.97 33.43 10.80 10.92 13.96 24.87 0.03 4.35 1.64 25 M C C 99.60 5.96 14.36 21.54 97.31 54.21 -78.58 -16.32 57.62 6.78 35.60 36.18 10.77 11.11 12.71 22.77 0.03 4.42 2.01 26 I C C 64.63 12.53 11.49 24.26 102.90 70.50 -83.64 22.98 75.35 5.36 19.29 58.71 10.50 5.77 10.13 9.29 0.00 2.97 2.61 27 H C C 121.06 5.75 15.53 22.14 101.43 96.36 -89.94 -4.53 83.81 3.87 12.32 59.57 15.85 8.50 5.96 6.25 0.00 2.44 1.43 28 H C C 109.35 5.62 17.14 23.50 109.14 58.17 -95.27 69.64 84.39 7.08 8.53 61.80 12.34 10.33 2.45 5.99 0.00 5.71 1.38 29 L C C 64.05 14.44 13.05 27.30 115.67 -133.00 -86.71 133.71 70.71 28.25 1.03 62.54 6.59 1.08 0.36 0.64 0.00 26.37 2.42 30 N E E 56.70 9.90 17.48 28.38 126.23 -162.75 -114.51 152.27 23.52 75.90 0.58 19.64 3.96 0.61 0.26 0.31 0.00 73.29 1.93 31 K E E 119.78 5.89 18.73 25.74 116.01 -110.99 -85.10 137.66 6.82 93.06 0.12 5.99 0.44 0.05 0.11 0.04 0.00 64.02 29.36 32 C C C 13.88 18.69 9.22 28.28 109.63 -112.46 -69.25 127.45 93.82 6.15 0.03 94.02 0.61 0.09 0.01 0.01 0.00 4.60 0.66 33 P C T 96.31 3.05 16.96 20.90 92.14 -144.61 -67.33 -23.52 99.64 0.10 0.27 0.81 8.25 90.56 0.01 0.29 0.00 0.07 0.02 34 S C T 69.66 4.74 14.53 20.35 99.68 45.83 -82.72 -39.61 99.74 0.04 0.22 0.07 3.00 96.73 0.00 0.19 0.00 0.02 0.01 35 C C T 63.15 5.45 12.80 19.89 103.07 19.92 -109.04 -14.84 99.75 0.07 0.18 0.25 4.49 95.02 0.00 0.17 0.00 0.04 0.02 36 G C C 46.80 4.34 13.44 19.49 95.87 -121.48 80.33 6.79 99.34 0.59 0.07 80.63 16.75 1.93 0.01 0.06 0.00 0.28 0.32 37 H C C 97.28 4.44 15.32 21.43 119.91 137.89 -78.82 147.49 96.42 3.57 0.01 91.15 5.70 0.05 0.00 0.01 0.00 2.58 0.51 38 Y E E 127.31 7.50 17.10 25.58 113.67 -105.41 -73.15 137.26 3.24 96.75 0.00 3.20 0.11 0.00 0.00 0.00 0.00 91.22 5.45 39 K E E 46.16 15.56 13.11 28.89 133.69 170.19 -135.46 157.60 3.07 96.93 0.00 3.08 0.12 0.00 0.00 0.00 0.00 96.09 0.70 40 R E E 109.04 6.48 20.62 27.35 117.58 -99.96 -77.39 149.18 34.14 65.80 0.05 32.98 1.12 0.10 0.01 0.05 0.00 63.50 2.25 41 A C T 44.52 12.83 16.52 29.57 109.65 -89.84 -60.23 139.27 98.58 1.02 0.40 1.28 6.57 90.81 0.01 0.44 0.00 0.77 0.13 42 N C T 75.85 11.41 19.25 30.54 93.85 14.03 73.22 10.74 99.00 0.65 0.35 1.10 7.38 90.53 0.01 0.40 0.00 0.51 0.06 43 T C E 47.54 10.03 20.95 31.90 128.86 101.47 -117.69 146.46 55.95 43.60 0.44 29.73 26.68 1.21 0.14 0.38 0.00 32.13 9.72 44 L E C 37.53 17.47 17.10 34.39 116.55 -118.19 -81.74 139.19 39.48 60.40 0.12 36.02 1.91 0.10 0.07 0.05 0.00 28.18 33.66 45 C C C 19.62 14.97 16.32 32.38 116.28 -114.92 -71.88 152.69 96.45 3.44 0.12 96.54 0.52 0.04 0.07 0.02 0.00 2.06 0.76 46 M H H 106.54 5.93 19.52 26.46 91.55 -117.53 -60.25 -34.66 14.84 0.08 85.07 1.00 1.70 11.97 81.42 3.78 0.06 0.03 0.04 47 Y H H 121.92 4.82 21.04 26.06 91.90 55.50 -66.50 -39.10 11.83 0.06 88.11 0.55 0.99 10.45 83.90 3.98 0.07 0.02 0.04 48 C H H 12.19 18.25 16.11 34.65 92.89 48.64 -68.02 -41.20 6.44 0.07 93.49 1.37 0.73 4.21 88.72 4.87 0.02 0.03 0.04 49 V H H 37.02 14.90 17.76 32.60 92.24 53.62 -63.22 -42.28 0.76 0.01 99.22 0.22 0.08 0.39 99.05 0.25 0.00 0.00 0.00 50 G H H 35.15 3.37 21.73 24.78 91.58 51.23 -64.09 -41.97 0.68 0.01 99.30 0.14 0.07 0.43 99.19 0.16 0.00 0.01 0.00 51 Q H H 73.07 7.37 20.45 28.39 91.98 49.38 -65.80 -41.28 0.60 0.02 99.38 0.11 0.06 0.40 99.28 0.14 0.00 0.01 0.00 52 I H H 23.26 17.72 16.61 34.57 92.17 49.32 -65.25 -41.99 0.77 0.02 99.22 0.17 0.07 0.45 99.16 0.14 0.00 0.01 0.00 53 S H H 41.48 8.18 18.22 27.57 91.52 52.27 -63.26 -41.22 1.78 0.03 98.19 0.36 0.13 1.16 97.92 0.41 0.00 0.01 0.00 54 H H H 110.47 2.38 19.96 21.55 92.30 49.84 -65.42 -40.79 3.18 0.05 96.78 0.48 0.26 2.36 95.90 0.96 0.01 0.03 0.01 55 I H H 53.04 9.36 16.50 27.13 92.61 49.48 -65.90 -41.72 4.53 0.06 95.40 0.74 0.41 3.25 94.52 1.02 0.01 0.04 0.02 56 W H H 79.59 11.98 14.41 26.89 93.91 47.46 -70.59 -35.93 12.15 0.27 87.58 2.97 1.61 7.82 85.82 1.47 0.05 0.13 0.13 57 K H H 121.50 3.70 15.49 20.10 93.73 54.78 -68.75 -29.21 32.74 0.68 66.59 9.53 4.75 18.85 64.05 2.10 0.08 0.30 0.34 58 T H H 80.52 3.36 14.29 18.30 98.70 56.65 -78.38 -26.36 47.50 1.16 51.34 16.53 8.28 23.38 47.82 2.87 0.06 0.52 0.54 59 H C H 102.67 6.12 12.15 19.64 100.90 56.30 -78.86 -23.58 53.52 1.60 44.87 24.49 12.94 17.00 40.47 3.62 0.05 0.68 0.74 60 T C H 71.00 5.36 12.21 19.03 103.22 63.63 -85.63 -16.30 57.28 1.41 41.31 32.61 11.12 13.63 37.30 4.07 0.02 0.66 0.60 61 A C H 61.74 4.68 11.37 17.67 98.97 61.39 -71.29 -24.31 51.56 1.37 47.07 29.96 9.84 12.74 39.38 6.81 0.02 0.69 0.56 62 K H H 131.32 3.35 11.71 16.41 98.90 58.68 -73.78 -24.44 46.14 1.87 52.00 25.97 9.38 12.27 40.19 10.40 0.05 1.01 0.73 63 E H H 120.85 3.92 11.24 16.59 99.59 63.22 -76.37 -16.47 48.06 2.03 49.91 25.51 10.05 13.69 37.72 11.08 0.05 1.11 0.79 64 E C C 123.16 3.78 11.60 16.74 102.93 57.82 -84.80 13.39 59.02 2.48 38.50 33.15 11.44 15.32 28.78 8.93 0.04 1.28 1.06 65 I C C 90.58 6.78 9.58 17.83 112.13 106.40 -88.87 129.07 73.75 2.31 23.94 48.03 16.79 8.31 20.68 4.00 0.01 1.03 1.14 66 K C C 120.72 3.88 11.74 17.16 115.41 -141.14 -91.34 136.81 83.54 1.25 15.22 62.72 15.94 4.01 14.09 2.06 0.00 0.54 0.63 67 P C C 82.45 5.19 10.05 17.00 107.72 -113.22 -66.34 146.72 62.47 1.36 36.18 44.99 6.57 10.45 28.54 8.13 0.00 0.77 0.56 68 R C C 154.37 3.18 10.84 15.31 102.32 -109.79 -77.17 -6.21 55.41 2.20 42.39 34.62 9.09 11.91 32.19 10.07 0.02 1.20 0.91 69 Q C H 108.38 4.25 10.24 15.94 101.38 71.12 -78.76 -5.73 51.26 2.48 46.25 34.56 8.49 8.67 35.64 10.34 0.02 1.37 0.92 70 E H H 112.70 4.75 10.78 17.03 100.16 74.73 -75.33 -28.88 46.87 1.69 51.44 32.13 7.36 8.08 41.25 9.64 0.01 0.94 0.59 71 E H H 117.83 3.48 11.83 16.48 99.61 59.63 -75.66 -26.79 46.54 1.65 51.81 28.06 8.04 11.15 41.01 10.21 0.02 0.93 0.58 72 E H H 111.40 4.06 12.42 17.67 100.03 55.06 -78.62 -18.19 48.03 1.84 50.13 30.59 7.15 11.17 40.01 9.33 0.02 1.02 0.71 73 L H H 77.76 8.20 9.89 19.19 98.07 63.98 -73.28 -27.73 46.89 1.33 51.78 31.17 8.06 8.69 42.71 8.16 0.01 0.69 0.51 74 S C H 68.01 3.66 12.73 17.58 97.90 65.16 -73.85 -26.51 50.72 1.54 47.74 32.37 8.49 10.53 38.89 8.29 0.01 0.84 0.57 75 E C H 120.46 2.95 12.85 16.71 99.18 56.38 -77.44 -17.31 48.85 2.51 48.64 30.89 8.43 10.54 38.50 9.31 0.03 1.46 0.85 76 L C H 81.44 7.76 10.17 19.14 101.97 69.85 -82.28 -1.73 51.34 3.13 45.53 34.62 8.00 9.41 37.18 7.90 0.02 1.90 0.98 77 D C C 88.43 5.77 12.00 19.06 103.02 72.64 -85.69 20.28 60.91 3.48 35.61 43.17 7.07 10.11 30.27 6.11 0.02 2.27 0.99 78 Q C C 114.99 4.09 12.60 18.00 106.62 95.84 -91.62 56.30 64.92 6.48 28.60 45.99 9.10 8.83 24.52 5.36 0.02 4.73 1.43 79 R C C 131.95 6.14 12.36 19.96 112.36 123.57 -90.74 120.83 67.53 12.49 19.98 51.46 8.35 6.33 17.40 4.02 0.03 10.21 2.20 80 V C C 75.86 8.40 12.52 22.16 113.88 -151.77 -98.15 125.40 64.88 21.73 13.39 52.36 6.56 4.53 11.56 3.00 0.04 17.54 4.41 81 L C C 84.93 8.17 11.96 21.50 115.01 -154.73 -97.40 126.33 67.38 23.75 8.87 52.88 9.17 3.82 7.48 2.45 0.04 16.30 7.85 82 Y C C 111.14 6.95 11.29 19.85 116.17 -153.82 -101.79 127.19 89.11 8.50 2.40 70.81 16.18 2.09 1.66 0.90 0.00 5.45 2.90 83 P C T 95.84 4.25 11.75 17.55 109.34 -108.80 -62.94 136.35 91.94 2.56 5.50 14.27 8.96 69.00 2.32 2.82 0.00 1.75 0.88 84 G C T 57.68 2.26 12.96 15.57 99.36 18.62 82.67 -1.06 94.32 1.16 4.52 12.77 11.37 70.37 1.32 2.99 0.00 0.77 0.41 85 R C C 128.26 6.18 10.21 17.94 103.88 105.85 -82.78 -5.09 86.99 4.83 8.18 58.85 19.31 8.50 3.30 4.86 0.00 2.37 2.81 86 R C C 132.51 5.48 10.70 17.74 116.78 65.06 -98.71 131.79 85.43 6.74 7.83 59.91 18.06 6.92 5.09 2.93 0.01 3.29 3.79 87 D C C 96.21 4.74 11.78 18.15 110.73 -120.39 -83.47 122.90 88.60 3.15 8.25 69.05 13.49 5.67 6.21 2.41 0.00 1.68 1.49 88 T C C 60.88 5.82 10.81 18.50 122.70 -151.21 -99.99 161.63 72.98 1.48 25.53 53.71 14.50 3.50 25.42 1.61 0.00 0.54 0.71 89 K H H 145.59 1.69 13.30 15.39 93.31 -108.31 -61.85 -36.52 9.72 0.15 90.13 4.11 2.21 4.10 87.46 1.96 0.02 0.08 0.06 90 Y H H 107.10 5.78 12.41 19.74 92.99 52.68 -66.30 -39.20 7.55 0.26 92.19 3.57 1.36 3.37 89.04 2.39 0.02 0.17 0.06 91 T H H 48.61 7.35 12.00 21.16 92.98 50.57 -66.08 -40.19 4.56 0.24 95.19 2.68 0.79 1.74 92.34 2.20 0.01 0.18 0.04 92 K H H 110.86 2.44 15.33 17.98 92.32 52.06 -64.73 -40.58 3.05 0.14 96.81 1.49 0.50 1.32 95.13 1.42 0.01 0.10 0.03 93 D H H 76.57 3.24 15.12 19.16 92.57 50.78 -66.11 -39.51 4.15 0.19 95.65 1.58 0.56 2.17 93.85 1.63 0.01 0.14 0.04 94 L H H 62.81 8.48 12.52 22.34 92.78 51.02 -67.58 -37.31 6.57 0.16 93.27 1.74 0.81 4.11 91.02 2.14 0.02 0.10 0.05 95 K H H 119.16 3.82 14.53 19.35 92.76 55.42 -67.99 -34.09 18.30 0.20 81.49 2.66 2.25 13.60 78.91 2.31 0.07 0.09 0.11 96 D C H 88.48 2.59 14.41 17.35 97.00 51.88 -84.35 -9.33 51.35 0.45 48.20 9.88 6.11 35.31 45.09 3.11 0.04 0.19 0.26 97 K H H 94.97 8.57 10.15 19.85 95.99 89.57 -68.98 -25.97 41.47 1.02 57.51 21.96 7.11 12.85 36.06 20.98 0.03 0.49 0.51 98 D H H 97.39 4.06 12.09 17.62 95.20 68.69 -69.75 -23.81 35.59 0.83 63.57 13.42 5.11 15.84 33.75 31.03 0.03 0.47 0.34 99 N H G 115.80 1.92 13.85 16.18 95.51 62.45 -80.26 -12.23 39.57 1.04 59.40 10.39 6.16 21.32 30.38 30.64 0.07 0.57 0.48 100 Y C H 116.83 7.13 11.30 19.75 100.37 59.38 -91.66 -3.85 48.19 4.28 47.53 15.73 10.06 22.52 26.12 21.10 0.25 2.54 1.68 101 L C C 76.47 9.07 9.78 20.07 115.27 98.69 -91.11 132.03 68.02 14.11 17.87 40.82 22.77 5.65 13.91 3.70 0.13 6.91 6.11 102 E C C 119.22 4.35 11.74 17.79 113.95 -129.92 -83.75 137.97 72.86 13.08 14.06 60.78 6.03 4.96 11.23 3.56 0.01 10.44 2.99 103 R C C 162.17 3.68 10.38 15.98 113.75 -137.45 -91.87 132.62 76.36 10.90 12.74 58.06 12.74 5.23 9.49 3.76 0.03 7.94 2.74 104 R C C 146.06 4.50 8.96 15.17 115.45 -131.27 -90.56 132.14 83.72 8.43 7.85 72.01 7.99 3.45 5.43 2.61 0.00 6.57 1.94 105 V C C 112.17 2.98 9.28 14.21 113.77 -152.04 -88.11 135.30 83.16 9.96 6.88 72.36 7.11 3.50 4.27 2.58 0.00 7.49 2.68 106 R C C 167.59 2.14 9.89 13.62 118.29 -138.72 -99.90 135.83 87.67 8.49 3.85 72.87 11.55 3.12 2.19 1.67 0.00 6.10 2.49 107 T C C 94.05 4.17 8.83 14.83 115.79 -119.02 -80.22 144.21 86.47 9.86 3.67 75.05 7.60 3.59 1.60 1.96 0.00 7.73 2.47 108 L C C 107.73 4.72 7.90 14.39 113.68 -112.98 -80.03 138.97 87.93 9.37 2.70 69.09 14.24 4.36 0.90 1.79 0.00 7.64 1.98 109 K C C 159.21 1.58 9.01 12.02 112.56 -114.97 -81.22 135.60 82.57 14.37 3.06 64.79 11.61 5.60 1.03 2.08 0.00 10.99 3.89 110 K C C 149.98 2.70 6.79 11.45 111.10 -146.35 -93.55 123.56 87.21 11.04 1.74 79.28 4.04 3.63 0.67 0.94 0.00 8.19 3.25 111 D C C 121.62 1.41 10.38 12.75 107.74 -129.75 -87.34 101.96 99.78 0.20 0.03 99.54 0.20 0.10 0.01 0.00 0.00 0.13 0.02