# 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 M C C 92.92 9.03 13.32 23.04 115.00 -152.65 -91.60 136.30 99.53 0.23 0.23 99.27 0.21 0.17 0.15 0.02 0.00 0.11 0.06 1 A C C 67.29 5.30 11.93 18.51 107.31 -126.77 -76.51 131.47 72.48 5.55 21.98 65.60 1.60 6.07 17.25 3.96 0.00 3.59 1.93 2 F C C 138.19 3.95 10.34 15.71 101.19 -133.13 -73.86 -8.49 58.88 9.81 31.31 35.75 11.25 12.36 23.44 7.73 0.09 6.96 2.42 3 L C C 105.34 4.55 10.96 16.86 103.14 77.65 -84.41 10.22 51.65 12.58 35.77 32.66 9.82 9.95 26.32 9.07 0.11 9.51 2.57 4 A C H 62.05 6.16 10.98 18.55 103.67 96.21 -78.35 2.79 47.01 9.38 43.61 29.34 9.45 9.41 32.64 10.08 0.11 7.06 1.91 5 R C H 146.73 4.33 12.98 18.58 105.45 52.92 -84.41 34.58 46.20 7.68 46.12 26.85 9.25 11.23 34.84 10.38 0.14 5.62 1.70 6 S H H 64.76 5.61 12.75 19.59 107.21 52.49 -85.01 54.83 43.39 7.92 48.70 26.40 8.31 10.06 36.61 10.81 0.14 5.80 1.86 7 V H H 84.52 6.74 13.22 20.94 101.90 64.13 -81.44 -12.22 33.44 7.21 59.36 16.91 7.33 11.09 41.83 15.40 0.40 5.35 1.70 8 G H H 37.72 7.92 13.48 22.19 101.75 61.56 -74.23 -22.74 30.20 4.89 64.91 13.53 6.05 11.11 40.06 24.32 0.22 3.68 1.02 9 R H H 135.11 6.16 13.91 20.98 103.45 57.79 -85.33 7.67 31.66 5.47 62.88 12.64 6.00 12.87 35.60 27.48 0.23 4.02 1.16 10 L H H 99.20 6.72 13.59 21.11 107.23 68.50 -87.24 74.41 39.39 8.01 52.61 14.29 7.81 17.62 30.16 21.98 0.50 5.66 1.97 11 L C C 95.26 7.56 12.73 21.23 111.94 85.68 -92.77 121.45 55.80 11.06 33.15 23.54 16.52 17.57 20.75 10.75 0.60 6.28 4.00 12 D C C 73.86 6.90 12.85 21.17 116.58 -152.07 -101.14 129.21 88.83 6.59 4.58 55.38 29.46 4.25 3.03 1.63 0.01 3.62 2.62 13 P C C 87.09 6.48 13.13 20.88 99.63 -130.59 -67.58 -8.69 70.40 3.34 26.26 30.95 14.04 25.85 16.89 9.00 0.04 1.98 1.25 14 V C T 95.43 5.13 13.59 19.77 102.54 71.37 -85.56 -4.66 64.08 4.20 31.72 24.84 14.34 25.72 21.29 9.67 0.13 2.39 1.62 15 S C C 56.25 7.84 12.56 21.56 103.83 69.03 -83.05 22.51 57.22 4.03 38.75 33.72 12.78 11.32 26.96 11.43 0.06 2.19 1.54 16 R H H 134.13 6.20 14.45 21.53 99.73 70.51 -77.41 -21.84 43.16 4.24 52.60 26.68 9.62 8.78 40.47 10.56 0.07 2.64 1.18 17 S H H 59.06 6.88 13.74 21.75 98.76 61.51 -74.61 -27.45 34.66 5.71 59.64 21.84 6.60 8.25 45.62 12.16 0.09 4.20 1.22 18 A H H 59.45 7.02 13.14 21.32 99.13 62.37 -75.28 -21.35 24.67 6.95 68.37 14.17 5.01 7.38 50.65 15.78 0.15 5.77 1.09 19 A H H 65.43 5.84 13.12 20.13 101.82 67.61 -80.23 -4.61 24.75 10.23 65.02 13.22 4.96 8.22 47.42 15.66 0.22 8.92 1.38 20 L H H 106.05 5.19 12.53 18.90 104.14 59.37 -85.81 20.63 30.42 12.73 56.85 13.82 6.49 11.82 41.27 13.66 0.47 10.45 2.03 21 V C H 95.65 5.39 11.62 18.39 108.22 51.09 -91.84 108.00 50.86 8.34 40.80 16.48 10.99 24.24 30.27 9.40 0.55 5.68 2.38 22 G C T 51.25 3.85 13.56 18.68 108.37 -47.42 92.40 11.28 81.11 4.61 14.27 27.78 17.40 36.91 8.84 4.79 0.03 2.85 1.41 23 G C C 43.32 6.90 11.95 19.95 118.68 -25.01 -101.56 160.02 82.57 6.09 11.34 42.15 22.19 19.11 4.35 6.48 0.02 3.67 2.05 24 R C C 148.46 4.90 13.57 19.80 112.78 -120.60 -96.83 121.04 75.65 11.26 13.09 45.39 17.62 13.26 4.54 8.42 0.03 7.47 3.27 25 W C C 139.00 8.39 12.03 21.31 110.10 -140.94 -91.28 109.06 69.95 15.62 14.43 38.30 16.31 16.63 5.09 8.94 0.07 10.80 3.85 26 L C C 97.39 7.02 13.16 21.17 109.17 109.35 -94.22 90.39 71.46 15.53 13.01 39.22 19.27 13.79 5.41 7.45 0.09 10.25 4.52 27 Q C C 90.44 7.31 12.92 21.53 118.44 -137.66 -101.20 136.52 82.20 9.87 7.94 54.13 24.81 3.60 5.32 2.94 0.01 6.10 3.10 28 P C C 78.60 7.39 12.60 21.12 105.33 -113.60 -67.60 121.74 70.00 5.92 24.08 52.57 8.39 8.79 12.63 11.70 0.01 4.25 1.66 29 Q C C 113.84 5.48 13.63 20.18 101.98 -121.88 -77.82 -6.87 49.53 8.60 41.87 31.90 9.01 9.59 16.26 25.14 0.04 6.29 1.76 30 A H G 60.68 7.09 12.59 20.89 98.93 67.03 -78.13 -14.00 36.60 12.44 50.96 22.17 7.49 9.30 17.49 31.95 0.06 9.96 1.58 31 W H G 138.61 8.07 12.43 21.43 102.05 61.56 -86.91 3.87 32.89 17.58 49.54 19.67 6.77 9.39 16.51 31.07 0.08 14.45 2.06 32 L C C 99.19 6.82 13.20 21.18 108.64 56.36 -88.29 97.40 42.99 22.57 34.44 20.91 9.97 15.17 13.88 19.05 0.42 16.84 3.77 33 G C C 44.15 6.31 14.80 22.05 114.89 25.70 -108.80 160.15 66.83 17.86 15.31 31.09 18.46 19.41 5.70 8.74 0.14 12.50 3.97 34 F C C 100.44 9.34 11.39 21.83 118.38 -110.07 -96.83 137.06 91.14 7.94 0.92 61.29 28.48 1.90 0.35 0.56 0.00 5.00 2.43 35 P C C 73.12 6.85 13.04 21.23 111.87 -107.55 -69.20 148.80 92.02 4.67 3.31 63.52 17.20 11.16 0.79 2.72 0.00 2.92 1.69 36 D C C 97.55 5.01 12.07 18.71 109.99 -115.74 -83.93 122.84 89.25 4.56 6.20 56.46 17.52 14.84 1.35 5.23 0.00 2.34 2.26 37 T C C 91.48 5.06 10.93 17.51 101.97 -141.33 -82.19 6.68 83.42 3.57 13.01 36.27 19.30 28.38 2.24 10.42 0.01 1.80 1.59 38 W C T 168.57 4.27 11.14 16.70 101.96 73.37 -88.21 13.52 84.43 3.55 12.03 27.73 20.86 36.62 2.38 9.01 0.01 1.83 1.57 39 G C C 53.48 3.06 12.90 17.13 102.71 -102.18 80.93 10.81 87.21 4.37 8.41 39.76 26.79 21.17 2.06 5.96 0.00 2.04 2.21 40 L C C 77.92 8.28 8.68 18.24 117.77 129.39 -94.45 136.67 88.15 3.37 8.48 62.72 21.78 3.31 6.52 2.13 0.00 1.33 2.21 41 P C C 78.90 3.75 13.25 18.24 112.10 -107.81 -66.90 149.85 66.33 2.55 31.12 51.22 6.84 8.26 22.99 8.09 0.00 1.44 1.15 42 A H H 76.05 4.92 11.19 17.56 97.25 -109.53 -64.98 -27.76 35.17 3.36 61.47 16.39 7.12 12.16 39.15 21.90 0.13 2.18 0.97 43 M H H 120.35 4.08 12.42 17.71 98.12 60.76 -77.80 -13.45 28.67 6.04 65.29 13.96 5.72 9.59 42.51 22.27 0.16 4.67 1.12 44 Q H H 95.92 7.09 12.56 20.83 103.79 70.11 -87.17 11.28 30.61 7.53 61.85 17.98 6.29 7.65 42.56 18.23 0.12 5.77 1.40 45 Q H H 85.95 9.08 12.51 22.48 110.66 87.22 -88.59 119.82 42.08 9.11 48.81 28.32 7.77 7.68 38.98 8.44 0.09 6.72 2.00 46 T C H 74.33 6.39 14.46 21.92 111.41 -138.05 -89.19 123.35 46.68 8.75 44.57 31.88 7.74 8.35 37.15 6.48 0.08 6.21 2.11 47 R H H 123.92 8.14 12.82 21.78 104.51 -148.26 -79.62 40.13 45.95 6.61 47.44 24.21 8.88 14.83 38.27 7.30 0.18 4.48 1.86 48 G C H 41.38 7.14 13.62 21.62 105.59 56.52 -68.27 -26.63 51.64 4.20 44.16 21.76 11.55 20.15 33.63 8.66 0.20 2.65 1.41 49 K C H 134.82 4.07 14.41 19.45 102.20 53.51 -84.14 -10.03 50.55 5.16 44.30 23.04 12.67 16.74 31.98 10.36 0.25 3.18 1.78 50 A C H 55.25 8.27 11.64 20.99 111.33 79.60 -88.87 122.60 54.16 6.84 39.00 26.75 11.96 17.12 27.19 10.17 0.24 4.11 2.45 51 R C T 143.83 5.61 12.56 19.50 111.18 -135.84 -87.50 116.92 64.13 5.76 30.11 24.23 13.93 27.04 19.89 9.16 0.20 3.21 2.34 52 G C T 44.22 6.03 13.65 20.69 108.65 -9.33 80.79 -15.84 75.22 3.12 21.66 26.75 17.75 31.75 11.05 9.58 0.05 1.65 1.42 53 N C C 100.55 6.04 13.35 20.47 106.26 46.30 -88.34 31.63 75.15 4.44 20.42 37.11 19.92 18.90 8.68 11.08 0.03 2.44 1.84 54 E C C 108.43 6.29 14.16 21.57 110.73 122.03 -90.40 109.87 74.97 8.30 16.73 41.61 18.48 15.64 7.31 9.01 0.05 4.89 3.01 55 Y C C 108.74 10.31 11.93 22.93 114.41 -127.68 -89.95 129.43 81.06 8.50 10.44 56.77 16.11 7.59 5.65 4.85 0.03 4.40 4.60 56 Q C C 78.29 7.71 13.06 22.35 112.60 -163.51 -107.02 112.53 95.63 1.98 2.40 83.67 10.82 1.15 1.91 0.53 0.00 1.00 0.92 57 P C H 81.49 6.19 12.57 20.48 94.87 -149.43 -63.25 -27.08 55.28 1.39 43.33 25.36 6.27 23.79 25.82 17.32 0.02 0.82 0.60 58 S C H 74.79 2.96 14.23 17.96 95.38 60.78 -77.12 -16.16 50.42 1.19 48.38 15.29 7.59 27.13 31.81 16.82 0.07 0.72 0.56 59 N H H 64.61 8.77 12.15 22.18 99.26 62.44 -85.02 -0.97 42.88 2.10 55.01 24.50 8.73 10.55 39.19 15.02 0.04 1.13 0.83 60 I H H 78.39 7.75 12.99 22.13 95.50 82.76 -66.92 -38.55 27.22 1.39 71.39 18.66 5.46 4.55 67.35 2.81 0.01 0.77 0.39 61 K H H 123.21 2.11 16.65 18.52 93.14 54.81 -65.57 -40.42 16.23 1.51 82.26 10.13 2.71 4.63 78.42 2.72 0.02 1.07 0.30 62 R H H 90.37 7.14 14.72 23.34 93.08 50.50 -67.02 -39.40 11.76 1.57 86.67 6.76 2.06 4.06 82.58 3.01 0.03 1.21 0.28 63 K H H 68.58 13.29 12.91 26.32 92.68 52.06 -65.15 -39.47 8.79 1.16 90.05 4.39 1.56 3.72 85.79 3.36 0.04 0.92 0.21 64 H H H 113.60 5.20 16.25 22.36 94.69 47.57 -72.43 -34.48 10.76 0.98 88.26 3.90 1.72 5.89 83.66 3.75 0.11 0.72 0.25 65 K H H 133.61 2.30 18.11 20.12 97.23 44.75 -77.64 -36.62 18.51 0.67 80.82 3.26 2.84 13.04 76.74 3.23 0.24 0.38 0.29 66 H H H 79.74 8.42 15.41 24.99 101.80 29.48 -103.90 -9.44 43.16 1.01 55.83 6.91 10.13 27.10 52.23 2.33 0.29 0.38 0.64 67 G C H 16.51 9.50 17.90 28.85 112.76 -132.26 78.69 -144.54 54.16 0.93 44.91 29.85 12.76 11.84 42.44 2.27 0.02 0.34 0.48 68 W H H 57.49 16.79 15.46 32.05 93.73 -55.26 -63.57 -37.39 8.68 0.09 91.24 2.12 1.57 5.12 87.98 3.08 0.04 0.05 0.04 69 V H H 63.18 7.57 18.24 26.77 91.96 53.81 -64.09 -41.15 3.16 0.04 96.80 0.64 0.39 2.01 92.66 4.27 0.01 0.02 0.01 70 R H H 124.38 3.45 20.07 23.50 92.18 50.26 -65.38 -39.61 1.81 0.01 98.17 0.27 0.16 1.22 91.46 6.88 0.00 0.01 0.00 71 R H H 57.59 12.61 15.14 28.60 92.65 51.10 -67.91 -33.16 3.33 0.02 96.66 0.29 0.23 2.52 88.92 8.02 0.01 0.01 0.00 72 L H H 52.21 13.62 13.31 27.40 92.37 57.94 -72.79 -18.70 27.21 0.08 72.72 1.22 1.33 24.64 65.34 7.34 0.05 0.03 0.06 73 R C T 167.48 2.10 17.57 19.72 93.33 61.78 -81.27 -12.37 71.03 0.23 28.74 3.97 6.09 60.28 25.43 3.90 0.04 0.08 0.22 74 T C S 50.69 7.08 11.00 20.28 122.16 89.90 -86.68 149.74 98.65 0.59 0.76 10.43 87.59 0.54 0.67 0.06 0.00 0.10 0.61 75 P H H 110.26 1.54 15.57 17.08 91.63 -115.42 -58.22 -36.47 32.71 0.05 67.24 0.76 2.50 29.43 65.12 2.09 0.05 0.02 0.04 76 T H H 77.77 4.26 16.77 21.81 92.11 52.62 -66.67 -32.00 30.45 0.03 69.52 0.91 1.58 27.66 67.94 1.86 0.02 0.01 0.02 77 G H H 6.07 16.30 12.78 30.16 91.91 53.79 -63.65 -42.36 7.26 0.06 92.68 2.61 1.10 3.64 90.87 1.72 0.01 0.03 0.04 78 V H H 58.10 8.95 17.84 27.76 91.64 51.55 -63.65 -41.34 1.06 0.01 98.94 0.36 0.11 0.48 98.75 0.30 0.00 0.00 0.00 79 Q H H 103.09 2.21 22.95 23.71 91.70 50.68 -64.62 -41.53 0.46 0.00 99.53 0.14 0.04 0.23 99.42 0.17 0.00 0.00 0.00 80 V H H 32.32 10.44 19.47 31.27 91.75 49.67 -64.25 -43.31 0.21 0.00 99.79 0.05 0.02 0.11 99.74 0.09 0.00 0.00 0.00 81 I H H 22.55 16.97 17.22 34.71 91.86 50.06 -63.54 -43.11 0.11 0.00 99.89 0.02 0.01 0.07 99.86 0.05 0.00 0.00 0.00 82 L H H 72.96 5.24 20.63 26.28 91.56 50.46 -63.13 -42.08 0.15 0.00 99.84 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 83 R H H 112.18 3.25 20.30 23.32 91.63 50.27 -64.33 -41.66 0.27 0.00 99.73 0.02 0.01 0.21 99.69 0.06 0.00 0.00 0.00 84 R H H 50.32 11.53 15.08 27.95 92.14 49.98 -64.80 -41.52 0.59 0.00 99.40 0.05 0.03 0.45 99.34 0.13 0.00 0.00 0.00 85 M H H 72.43 9.95 14.11 25.04 91.84 50.79 -63.63 -40.71 1.91 0.00 98.09 0.15 0.10 1.49 97.81 0.44 0.00 0.00 0.00 86 H H H 144.45 1.72 15.76 17.48 90.53 52.16 -65.76 -30.95 10.25 0.02 89.73 0.34 0.38 9.74 88.86 0.65 0.01 0.00 0.01 87 K C T 126.82 3.06 13.84 17.81 93.15 53.76 -85.10 -2.21 76.67 0.06 23.28 0.65 1.82 72.53 24.11 0.83 0.00 0.02 0.05 88 G C T 48.75 3.51 14.84 19.29 98.58 -100.71 87.84 8.41 96.53 0.10 3.37 4.36 4.47 87.76 2.89 0.42 0.00 0.05 0.05 89 R C C 97.14 9.89 10.29 21.19 109.40 132.53 -83.81 113.25 91.30 2.22 6.48 77.47 8.44 5.35 2.58 3.81 0.00 1.17 1.19 90 K C C 129.30 5.63 14.18 20.97 104.07 94.87 -92.99 -13.70 82.14 4.19 13.66 51.66 16.06 13.92 3.27 10.97 0.01 2.96 1.15 91 S C C 67.59 5.03 14.80 21.02 115.10 80.79 -101.00 137.48 75.48 8.96 15.55 47.59 13.92 13.96 3.60 12.22 0.02 6.69 1.99 92 L C C 81.61 10.94 10.11 21.38 109.22 -151.07 -92.54 90.75 74.50 11.95 13.56 49.88 12.86 11.45 4.18 9.71 0.02 8.79 3.12 93 S C C 70.04 5.08 11.75 18.38 114.31 90.37 -98.81 135.14 87.51 7.84 4.65 77.64 2.97 6.85 1.79 2.46 0.00 6.12 2.17 94 H C C 122.28 7.09 12.25 20.36 108.77 -143.73 -93.03 85.45 99.76 0.20 0.04 99.51 0.21 0.10 0.01 0.01 0.00 0.12 0.03