# 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 G C C 38.70 6.34 12.93 20.53 121.16 90.39 110.99 158.43 99.67 0.24 0.08 99.20 0.37 0.19 0.04 0.01 0.00 0.13 0.05 1 S C C 78.16 3.27 11.21 15.79 110.12 -83.02 -91.13 111.90 77.39 4.06 18.56 68.17 3.08 6.20 14.93 3.46 0.00 2.45 1.71 2 K C C 146.39 2.50 9.49 13.40 105.15 67.53 -81.98 39.35 61.70 8.46 29.84 38.64 13.12 10.48 22.32 7.32 0.10 5.25 2.77 3 T C C 92.29 3.39 8.91 13.85 107.17 98.54 -86.74 80.00 59.40 9.73 30.87 40.58 10.03 8.73 22.91 8.24 0.06 6.81 2.64 4 K C C 142.91 2.76 9.36 13.55 105.51 107.76 -86.05 34.47 55.17 9.62 35.21 34.78 10.73 10.43 26.32 8.44 0.10 6.36 2.84 5 E C T 143.75 1.91 10.17 13.24 106.38 69.78 -83.67 91.00 61.74 4.81 33.45 19.38 12.03 30.43 25.70 7.59 0.22 3.02 1.63 6 G C T 54.48 2.53 10.91 14.63 103.88 13.44 80.41 2.97 70.19 4.31 25.50 22.34 14.49 33.43 19.76 5.86 0.14 2.72 1.27 7 V C C 96.00 4.04 8.89 14.75 113.77 118.69 -95.56 129.03 59.33 17.69 22.98 41.76 10.70 6.36 20.63 3.48 0.09 12.13 4.85 8 V C C 97.84 4.05 10.08 15.91 113.41 -152.13 -95.77 128.73 55.58 19.79 24.63 41.14 7.71 5.62 22.82 3.23 0.06 15.86 3.56 9 H C C 139.97 2.97 11.43 15.96 113.44 -154.23 -95.95 131.54 56.65 15.51 27.84 36.72 9.50 9.04 25.76 3.65 0.08 13.08 2.16 10 G C C 48.33 3.88 11.85 16.94 115.75 2.78 -110.22 152.60 56.67 10.60 32.74 34.90 10.92 10.43 29.57 4.00 0.08 8.27 1.83 11 V H H 95.47 5.00 10.36 16.84 110.97 -119.26 -92.00 115.35 37.22 9.78 53.00 25.82 6.42 6.35 47.33 4.41 0.07 8.07 1.54 12 A H H 68.59 4.26 12.20 17.73 113.12 -141.09 -90.21 127.69 33.29 12.27 54.44 22.94 5.17 6.07 48.36 4.71 0.08 10.98 1.70 13 T H H 75.54 4.72 12.86 18.69 108.29 -140.83 -89.95 54.96 28.68 14.55 56.78 19.84 4.32 5.45 50.28 4.82 0.10 13.33 1.87 14 V H H 84.44 4.89 12.69 18.79 100.81 51.86 -76.61 -32.96 27.58 11.85 60.57 19.44 4.12 5.22 54.33 4.37 0.10 10.62 1.79 15 A H H 57.77 5.47 12.53 19.29 99.64 55.34 -73.87 -34.76 32.64 8.58 58.78 22.49 4.38 6.58 53.24 4.31 0.06 7.44 1.52 16 E H H 113.28 3.61 14.04 18.37 98.60 56.38 -74.33 -30.71 39.13 6.22 54.64 23.69 5.96 10.12 49.25 4.57 0.08 4.89 1.44 17 K H H 116.26 3.91 13.59 18.42 97.96 58.89 -73.44 -32.39 44.20 5.98 49.82 27.19 7.53 10.23 45.07 4.09 0.07 4.19 1.63 18 T C H 68.33 5.53 12.37 19.29 98.54 55.12 -75.53 -33.06 48.07 5.12 46.81 32.18 7.36 8.83 43.25 3.46 0.03 3.42 1.46 19 K H H 126.26 3.63 13.36 18.03 94.89 59.65 -68.57 -36.14 35.62 3.68 60.69 20.64 6.88 10.13 52.24 6.43 0.08 2.67 0.93 20 E H H 120.79 2.27 14.42 16.83 94.52 52.63 -68.95 -36.91 33.71 3.64 62.65 16.72 6.02 12.58 53.53 7.33 0.12 2.89 0.80 21 Q H H 97.78 4.21 13.42 18.75 94.80 52.02 -70.54 -33.81 34.42 3.84 61.75 18.50 5.38 12.15 52.51 7.50 0.08 3.10 0.78 22 V H H 72.80 7.12 10.82 19.26 94.93 57.12 -69.68 -33.72 26.64 6.04 67.32 16.25 4.51 7.73 55.14 10.20 0.08 5.18 0.91 23 T H H 94.79 2.82 13.87 17.41 96.07 58.18 -74.15 -25.25 30.73 7.42 61.84 14.65 4.91 11.82 52.08 8.63 0.16 6.69 1.04 24 N H H 114.79 2.06 13.24 15.78 99.41 55.51 -84.93 -2.36 34.66 10.11 55.23 13.69 6.17 15.71 45.70 7.98 0.35 8.88 1.51 25 V H H 88.85 5.29 10.29 17.01 104.79 68.55 -88.51 19.13 42.39 13.07 44.53 20.73 9.49 13.88 38.61 4.63 0.35 9.70 2.60 26 G C H 48.02 3.92 12.39 17.57 106.06 31.33 -59.27 -8.20 55.62 7.36 37.02 23.53 9.06 22.54 32.46 5.18 0.16 5.51 1.57 27 G C H 48.87 3.70 13.20 17.97 105.32 21.89 33.50 -48.36 51.03 5.65 43.31 16.51 11.39 23.63 35.56 7.04 0.38 4.18 1.30 28 A H H 76.08 3.45 12.89 17.39 104.36 35.31 -83.15 4.45 37.80 13.71 48.49 18.87 7.91 12.05 40.33 6.62 0.36 11.97 1.89 29 V H H 92.21 4.83 12.24 18.50 107.89 72.25 -88.97 62.31 28.83 26.04 45.13 15.70 5.81 8.25 38.85 5.26 0.45 22.95 2.74 30 V H H 79.62 7.12 12.10 20.46 108.22 69.31 -89.68 76.79 28.77 27.15 44.08 16.89 5.68 7.00 39.29 4.28 0.36 23.40 3.09 31 T C H 87.30 3.87 14.88 19.78 106.80 67.32 -89.19 40.55 41.43 19.97 38.59 21.67 9.03 11.02 34.15 4.21 0.26 16.94 2.72 32 G C H 37.69 5.48 15.92 22.10 104.75 33.91 -69.94 -41.33 51.96 8.89 39.14 30.40 10.96 10.99 35.62 3.31 0.11 6.89 1.72 33 V H H 74.54 8.09 13.79 22.70 95.68 41.28 -68.84 -37.28 18.89 3.06 78.05 13.42 3.90 4.37 71.70 3.59 0.06 2.28 0.68 34 T H H 75.91 4.98 16.17 21.96 94.82 54.33 -68.44 -37.97 14.67 3.98 81.35 9.28 2.71 4.91 74.20 4.51 0.13 3.56 0.70 35 A H H 55.93 3.58 16.70 20.72 94.83 51.78 -67.31 -39.98 11.93 5.00 83.07 6.71 2.26 4.60 75.57 5.31 0.17 4.69 0.68 36 V H H 66.80 5.38 15.51 22.06 93.79 50.86 -67.14 -40.42 12.44 4.57 82.99 6.97 2.36 4.73 76.40 4.57 0.19 4.05 0.73 37 A H H 42.53 7.93 13.13 22.64 92.83 53.39 -66.31 -37.31 18.95 3.62 77.43 10.54 2.69 7.22 71.60 4.05 0.10 3.05 0.74 38 Q H H 111.33 3.71 14.94 19.61 93.69 52.64 -69.05 -33.51 26.97 3.32 69.71 11.57 3.60 12.92 64.04 4.24 0.15 2.64 0.83 39 K H H 137.33 2.51 14.87 17.78 95.93 51.79 -73.39 -29.33 31.89 2.79 65.32 11.00 5.03 16.99 60.32 3.62 0.23 1.93 0.89 40 T C H 77.52 5.22 12.79 19.20 102.65 44.83 -90.73 -22.28 47.40 5.61 46.99 19.80 9.92 19.15 42.55 3.17 0.17 3.36 1.88 41 V C C 84.17 6.30 11.05 18.68 107.05 47.40 -92.02 45.11 64.04 7.70 28.25 28.23 18.19 18.26 24.83 3.48 0.15 4.05 2.81 42 E C T 139.82 2.86 13.60 17.50 104.50 -110.04 -75.74 72.99 75.48 3.78 20.74 17.19 12.63 45.04 15.89 5.48 0.08 2.12 1.57 43 G C T 52.00 4.21 14.00 19.03 103.78 -2.11 74.40 4.22 83.10 2.18 14.71 21.50 15.57 46.48 8.91 5.40 0.02 1.24 0.88 44 A C C 59.04 7.66 12.48 21.27 106.82 106.73 -89.83 61.46 78.85 4.52 16.63 44.25 16.77 17.83 10.76 5.97 0.02 2.43 1.98 45 G C C 36.92 7.68 15.69 24.01 115.02 -141.46 -85.31 162.19 73.04 7.84 19.12 40.81 18.15 14.48 13.68 5.60 0.05 4.78 2.45 46 S C C 55.98 8.52 15.62 24.79 112.05 -85.29 -91.18 135.62 61.84 14.06 24.10 46.99 8.95 5.64 19.22 5.25 0.03 10.14 3.76 47 I H H 80.94 10.40 14.51 25.24 102.70 -163.37 -81.79 -19.32 29.31 25.03 45.67 16.52 6.51 7.85 34.40 10.45 0.50 20.73 3.03 48 A H H 57.98 8.04 14.97 23.76 102.72 65.15 -76.69 -28.35 25.85 29.12 45.03 13.46 5.81 8.32 33.33 11.11 0.35 25.22 2.39 49 A H H 68.22 5.96 14.83 21.57 103.66 54.39 -88.76 11.31 29.17 28.21 42.61 15.23 6.39 9.40 30.97 10.85 0.39 24.22 2.55 50 A C H 58.52 7.84 12.06 21.09 112.47 94.66 -91.89 131.92 47.38 21.53 31.09 21.46 11.19 16.12 22.67 8.00 0.61 16.72 3.23 51 T C T 92.64 5.07 14.58 20.38 105.44 -121.59 -89.46 33.92 69.31 13.66 17.03 22.92 16.88 30.38 11.27 5.63 0.27 9.99 2.66 52 G C C 40.96 6.94 14.36 22.22 109.95 -100.05 93.99 9.95 79.08 14.18 6.74 28.86 25.57 26.38 2.46 3.61 0.05 11.02 2.05 53 F C C 121.66 6.45 14.12 21.69 115.74 47.17 -95.58 130.57 67.86 26.97 5.16 38.27 21.60 9.04 2.56 2.80 0.11 19.70 5.92 54 V C C 59.03 11.31 10.74 23.03 121.41 -159.24 -108.62 138.35 64.46 31.79 3.75 44.21 16.49 3.56 2.37 1.82 0.07 22.36 9.13 55 K C C 108.24 4.37 16.07 21.30 116.04 -136.70 -92.96 139.09 81.75 15.63 2.63 74.54 5.53 1.13 2.05 0.82 0.00 11.82 4.12 56 K H H 115.30 9.14 10.84 20.96 92.84 -125.39 -59.48 -35.02 19.38 1.58 79.04 6.24 3.40 9.17 43.29 36.37 0.08 1.12 0.33 57 D H H 117.78 1.28 14.87 15.93 92.40 60.45 -70.25 -21.48 17.36 1.27 81.37 4.27 2.59 9.37 44.61 37.91 0.07 0.97 0.21 58 Q H H 100.49 5.44 13.63 20.31 96.66 55.70 -83.62 -14.76 16.06 1.20 82.73 4.95 2.71 7.73 45.78 37.68 0.06 0.87 0.23 59 L H H 62.76 12.00 9.97 22.22 104.01 75.53 -86.41 18.07 43.12 3.99 52.89 19.57 14.35 13.36 37.79 10.71 0.41 1.66 2.15 60 G C C 39.14 5.55 13.58 20.51 115.19 -134.06 81.73 156.34 83.49 4.56 11.95 55.28 13.08 15.03 7.93 3.89 0.01 2.44 2.33 61 K C C 133.73 3.91 11.35 17.03 117.97 -111.01 -101.62 139.64 76.21 14.37 9.42 54.69 13.01 6.56 6.10 3.43 0.04 5.51 10.66 62 N C C 92.23 4.96 8.74 15.45 114.45 -120.33 -86.81 148.78 87.46 5.74 6.80 67.74 10.64 8.64 3.45 3.26 0.00 3.14 3.12 63 E C C 154.87 1.56 9.21 11.92 99.98 -119.24 -75.31 -14.71 87.28 3.79 8.93 35.97 19.80 32.44 3.09 5.10 0.01 1.96 1.64 64 E C T 153.04 1.08 9.88 11.24 101.08 52.82 -85.21 6.13 92.28 1.30 6.43 18.71 23.53 50.37 1.61 4.39 0.00 0.71 0.67 65 G C S 53.20 2.65 10.11 14.25 102.77 -93.77 85.60 4.66 94.55 2.32 3.13 27.67 45.34 21.55 0.45 2.76 0.00 1.24 1.00 66 A C C 60.82 4.62 9.33 15.97 118.28 137.49 -89.62 140.97 94.14 5.28 0.58 68.42 24.54 1.41 0.20 0.38 0.00 2.82 2.22 67 P C C 86.10 4.24 10.96 17.01 112.88 -104.65 -68.20 148.09 84.28 12.72 2.99 73.71 6.46 2.91 1.32 1.59 0.00 5.65 8.35 68 Q C C 119.20 5.00 9.74 16.57 110.09 -119.20 -84.33 134.16 80.91 7.98 11.10 58.36 12.82 9.40 4.35 6.82 0.01 4.70 3.54 69 E C C 135.16 3.14 10.51 15.42 114.75 -141.54 -98.01 132.33 71.50 8.85 19.65 38.02 17.42 17.19 8.75 10.29 0.09 5.30 2.95 70 G C C 48.49 4.51 10.47 16.56 114.30 -84.59 74.19 150.14 70.61 8.54 20.85 40.93 15.46 15.19 9.55 10.84 0.04 5.61 2.37 71 I C C 113.66 4.19 10.50 16.28 112.68 -135.53 -95.12 122.70 65.70 13.99 20.30 51.21 8.09 6.28 10.45 9.94 0.03 10.09 3.91 72 L C C 102.79 5.69 9.11 16.48 113.15 -149.02 -93.05 126.25 61.91 16.26 21.83 44.16 9.43 8.50 9.61 12.19 0.06 11.42 4.63 73 E C C 129.12 3.60 10.64 15.98 113.80 -157.95 -95.59 131.89 69.66 12.84 17.51 42.11 14.95 13.63 6.20 10.95 0.04 9.32 2.79 74 D C C 111.29 2.88 11.76 16.28 112.31 -122.85 -91.86 122.58 80.18 9.76 10.06 50.91 18.29 11.13 2.80 7.63 0.02 6.51 2.72 75 M C C 95.92 7.81 9.22 18.49 118.24 -151.92 -96.26 137.87 93.55 6.01 0.44 76.43 16.63 0.84 0.15 0.30 0.00 4.14 1.51 76 P C C 84.10 4.37 12.16 18.23 112.68 -108.61 -68.42 146.84 90.93 8.25 0.82 83.69 5.53 1.72 0.24 0.62 0.00 5.21 2.99 77 V C C 98.62 5.11 9.48 16.55 116.02 -129.87 -95.23 134.81 81.66 17.39 0.95 65.67 13.10 1.62 0.40 0.57 0.00 5.67 12.96 78 D C C 69.91 5.84 8.66 16.51 111.95 -139.67 -96.11 118.29 94.72 4.80 0.48 82.10 11.29 1.23 0.17 0.32 0.00 2.51 2.37 79 P C T 110.66 2.15 9.35 13.18 93.49 -152.85 -65.66 -21.50 91.04 1.15 7.81 22.46 13.22 55.42 1.60 6.12 0.00 0.70 0.49 80 D C T 117.34 1.03 10.68 11.71 95.72 55.11 -87.38 0.99 90.20 1.01 8.78 12.58 16.68 60.99 1.97 6.67 0.00 0.58 0.53 81 N C C 107.55 4.44 9.32 15.55 98.45 -116.58 65.05 30.65 83.11 3.89 13.00 34.86 30.33 18.62 3.29 9.02 0.01 1.88 1.99 82 E C C 116.07 3.46 10.51 15.77 111.47 145.10 -89.18 123.27 79.05 6.67 14.29 54.22 12.46 12.21 4.98 9.43 0.01 3.97 2.72 83 A C C 72.02 4.65 10.79 17.11 113.69 -139.79 -95.41 129.11 71.11 13.18 15.72 47.79 11.77 11.53 5.22 10.55 0.07 8.20 4.88 84 Y C C 125.04 7.57 9.33 18.28 118.27 -157.76 -106.80 132.87 73.40 14.23 12.37 51.19 11.96 9.99 4.44 8.16 0.03 9.76 4.48 85 E C C 138.83 2.43 12.22 16.26 116.06 -153.03 -100.37 130.42 80.29 13.17 6.54 57.10 15.36 7.02 2.57 4.25 0.01 7.95 5.73 86 M C C 107.96 6.45 8.72 16.89 117.70 -130.57 -91.89 136.66 94.95 4.63 0.42 75.39 19.24 0.71 0.18 0.23 0.00 2.64 1.61 87 P C C 81.78 4.11 10.03 16.02 114.57 -107.43 -67.44 150.93 95.89 1.85 2.26 87.42 5.22 3.36 0.78 1.30 0.00 1.09 0.83 88 S C C 89.98 1.98 9.86 13.30 109.29 -104.53 -72.78 138.48 90.87 2.10 7.03 68.16 11.99 10.30 2.00 5.19 0.00 1.07 1.30 89 E C C 131.52 3.48 8.20 13.52 112.16 -145.86 -92.71 124.41 85.04 3.00 11.95 55.44 16.56 12.62 3.76 8.26 0.01 1.35 2.01 90 E C C 150.27 1.48 9.79 12.45 112.32 -134.48 -86.85 130.06 79.08 2.05 18.87 33.46 17.21 29.02 5.60 12.56 0.01 0.99 1.14 91 G C C 51.46 2.92 11.24 15.49 107.20 18.29 84.68 1.33 78.81 2.30 18.90 33.98 16.72 28.83 5.31 12.80 0.01 1.08 1.25 92 Y C C 130.63 6.33 8.63 16.30 106.96 105.55 -90.56 54.64 71.12 3.54 25.34 49.37 10.29 10.70 6.73 19.33 0.01 1.82 1.76 93 Q C C 118.13 4.08 10.13 15.91 106.85 123.62 -89.28 40.56 69.58 3.78 26.64 42.08 11.98 15.39 6.24 20.66 0.01 2.10 1.55 94 D C C 111.65 2.19 11.52 14.81 100.40 63.99 -86.13 1.03 72.37 4.14 23.49 38.62 15.08 18.93 5.09 18.35 0.02 2.26 1.66 95 Y C C 130.20 6.41 8.45 16.39 113.93 85.44 -94.52 126.69 81.76 6.50 11.74 52.13 19.41 9.66 3.53 8.27 0.02 2.91 4.09 96 E C C 126.88 3.25 9.95 15.20 115.65 -143.69 -97.77 131.02 96.30 2.95 0.75 76.32 18.88 1.17 0.31 0.41 0.00 1.41 1.51 97 P C C 91.96 4.48 8.30 14.78 112.20 -114.88 -68.46 146.46 93.09 2.77 4.14 68.87 7.13 17.15 1.16 2.80 0.00 1.78 1.11 98 E C C 153.60 1.51 8.85 11.80 109.49 -121.70 -83.01 126.39 91.67 4.09 4.24 71.87 3.19 17.11 1.40 2.11 0.00 2.44 1.89 99 A C C 77.76 4.18 9.45 15.40 111.05 -136.68 -89.49 126.91 99.35 0.56 0.09 99.10 0.25 0.15 0.03 0.02 0.00 0.37 0.08