# 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 K C C 135.06 4.04 14.96 20.24 113.63 -148.68 -93.68 124.01 99.75 0.21 0.04 99.57 0.19 0.08 0.02 0.01 0.00 0.10 0.04 1 Y C C 117.55 8.94 9.33 19.06 112.25 -158.10 -92.53 130.01 84.05 4.50 11.46 72.51 2.38 9.90 5.55 4.72 0.00 2.55 2.38 2 G C C 41.77 5.81 10.84 17.87 108.98 20.83 -69.18 -42.18 73.42 3.81 22.77 37.21 14.73 22.42 6.85 15.10 0.02 2.00 1.66 3 E C G 138.47 2.61 11.60 15.45 100.38 12.15 -78.06 -14.95 59.21 3.51 37.28 24.36 15.58 21.24 9.90 25.54 0.05 1.92 1.41 4 E C G 130.80 3.44 12.05 16.76 101.60 60.52 -83.53 2.46 57.08 5.58 37.34 23.98 14.40 20.48 11.40 24.39 0.12 3.40 1.83 5 S C C 55.56 9.36 10.60 20.81 109.56 108.07 -88.11 108.90 64.62 13.27 22.11 39.97 12.88 12.92 7.31 14.26 0.03 10.42 2.21 6 R C C 121.44 7.88 15.02 23.82 113.47 -163.33 -101.59 125.37 56.01 37.31 6.67 41.52 10.33 4.36 3.54 3.51 0.04 32.94 3.77 7 Y E E 112.35 9.61 15.46 25.77 121.87 -153.85 -108.48 137.73 39.72 57.66 2.63 31.69 5.97 2.07 1.66 1.31 0.02 53.16 4.12 8 F E E 58.61 14.69 13.50 28.72 122.17 -162.21 -113.72 135.59 37.62 61.61 0.77 33.18 3.28 0.58 0.49 0.38 0.00 57.49 4.60 9 D C C 61.63 6.86 18.37 26.42 110.13 -143.91 -95.12 114.82 54.03 45.64 0.34 51.90 1.46 0.22 0.16 0.15 0.00 43.36 2.73 10 L H G 63.69 14.25 11.94 26.60 93.92 -154.47 -65.55 -24.76 25.59 1.52 72.89 6.04 3.99 15.53 8.69 64.28 0.01 1.23 0.22 11 K H G 148.01 2.09 16.57 18.98 92.06 66.14 -68.57 -24.25 26.39 0.69 72.92 2.15 3.39 20.06 8.84 64.90 0.01 0.49 0.15 12 D H G 71.41 5.93 13.92 21.29 100.40 48.20 -99.46 7.28 25.02 0.81 74.17 7.67 4.47 13.24 8.78 65.14 0.00 0.52 0.18 13 L H G 46.35 16.93 9.48 25.63 95.71 110.54 -67.27 -28.93 41.07 1.15 57.78 13.96 6.40 20.81 16.32 41.32 0.02 0.61 0.55 14 E C G 136.77 3.05 16.18 19.98 94.23 66.59 -72.74 -19.77 49.58 0.88 49.54 6.40 6.83 34.70 13.65 37.32 0.06 0.49 0.54 15 N C G 106.07 3.15 15.81 19.57 102.56 50.93 -99.03 21.55 52.16 2.43 45.41 14.14 12.47 27.33 10.31 33.17 0.10 1.28 1.20 16 T C C 48.72 14.18 10.01 24.00 111.20 130.34 -85.17 123.74 76.50 9.07 14.43 49.75 17.81 8.47 7.83 6.75 0.03 4.46 4.90 17 V C C 90.11 6.66 15.64 23.18 105.93 -138.87 -90.30 38.97 74.10 11.61 14.29 38.61 16.85 19.70 5.97 7.73 0.09 6.84 4.22 18 G C C 37.97 8.60 15.19 24.38 111.92 37.72 -74.97 52.66 76.35 10.72 12.93 28.99 24.63 24.66 3.55 8.34 0.06 7.27 2.52 19 S C C 68.65 6.88 17.22 24.73 110.30 -86.95 -94.69 107.88 74.00 14.28 11.72 44.23 17.91 12.76 3.35 8.17 0.02 10.87 2.68 20 W C C 91.26 14.28 14.01 28.40 119.90 135.29 -104.13 133.55 63.37 26.55 10.08 42.85 12.94 7.94 4.08 6.27 0.06 20.32 5.54 21 D C C 69.65 8.91 18.72 28.30 116.53 -161.22 -105.11 122.98 64.50 28.51 7.00 49.97 8.43 5.36 3.12 4.01 0.02 23.95 5.15 22 M C C 62.70 14.98 14.76 29.77 107.68 -168.39 -97.10 74.12 67.65 22.85 9.50 32.82 19.75 17.05 3.57 5.35 0.13 17.41 3.91 23 Y C C 108.66 8.77 17.62 26.88 107.94 132.79 -95.71 78.93 71.41 19.75 8.84 28.76 22.15 22.81 3.35 4.89 0.14 13.45 4.44 24 G C C 31.53 10.58 14.69 25.61 111.19 -50.17 76.05 -4.44 80.65 8.41 10.93 32.44 23.97 25.84 3.08 7.02 0.03 5.25 2.37 25 Q C C 104.47 7.05 14.57 22.44 105.77 -14.57 -88.14 38.35 77.94 5.93 16.13 32.27 21.36 25.73 5.39 9.68 0.04 3.19 2.33 26 E C C 112.02 6.74 13.01 20.78 103.86 104.57 -86.81 14.84 74.75 5.67 19.58 30.21 23.99 22.05 7.56 10.76 0.08 2.87 2.49 27 D C C 79.26 6.30 12.80 20.45 109.48 111.33 -92.07 102.69 75.84 4.32 19.84 45.15 21.10 9.93 11.06 8.60 0.02 2.19 1.95 28 K C C 123.68 6.92 12.06 20.32 96.75 -153.37 -71.39 -23.10 53.36 4.22 42.42 29.27 11.48 13.21 22.55 19.52 0.06 2.43 1.47 29 S C C 75.32 3.55 14.07 18.68 96.75 65.92 -78.69 -12.56 51.31 5.22 43.48 27.71 10.39 13.82 22.50 20.68 0.07 3.29 1.54 30 R C H 118.30 7.33 14.31 22.56 99.84 59.59 -81.47 -18.68 46.00 9.44 44.55 24.57 10.48 12.30 25.08 18.63 0.25 5.96 2.75 31 Y C C 72.54 14.36 11.30 25.46 105.39 57.77 -91.49 1.15 54.54 7.52 37.94 30.43 16.68 9.78 28.40 7.64 0.18 3.80 3.10 32 N C H 86.67 6.19 15.75 22.86 103.44 68.49 -74.93 16.34 51.34 1.84 46.82 31.86 8.65 11.27 42.42 4.13 0.02 1.02 0.64 33 G H H 45.95 3.29 17.86 21.06 96.78 33.55 -52.83 -39.57 37.09 1.07 61.84 14.42 7.92 16.35 55.70 4.54 0.07 0.58 0.42 34 L H H 66.08 10.04 16.86 27.35 94.56 50.46 -70.58 -35.53 19.01 0.87 80.11 10.50 3.43 7.08 73.82 4.33 0.04 0.50 0.31 35 Q H H 48.31 15.59 15.83 31.13 93.18 57.88 -64.09 -40.99 5.07 0.17 94.76 3.02 0.85 1.80 92.52 1.66 0.01 0.10 0.04 36 S H H 46.77 6.89 19.30 26.96 92.41 53.10 -64.46 -40.10 2.76 0.10 97.14 1.28 0.39 1.27 95.92 1.04 0.01 0.06 0.02 37 E H H 96.30 3.72 21.87 25.25 92.17 50.26 -65.11 -41.11 1.39 0.05 98.56 0.50 0.18 0.73 97.91 0.62 0.00 0.03 0.01 38 F H H 35.48 14.54 17.89 33.14 92.26 49.76 -64.70 -43.16 0.76 0.03 99.20 0.24 0.09 0.42 98.90 0.33 0.00 0.02 0.00 39 F H H 46.14 16.19 17.67 33.72 92.14 49.86 -64.49 -41.57 0.62 0.02 99.36 0.15 0.06 0.38 99.16 0.24 0.00 0.01 0.00 40 E H H 106.32 4.54 21.06 25.79 91.89 50.22 -64.57 -40.97 0.98 0.02 99.00 0.15 0.08 0.70 98.79 0.27 0.00 0.01 0.00 41 R H H 118.45 4.55 21.07 25.75 92.49 47.65 -67.12 -40.43 2.61 0.03 97.36 0.28 0.19 2.06 97.02 0.43 0.01 0.01 0.01 42 A H H 22.11 15.48 15.75 31.60 93.08 48.54 -69.44 -35.54 8.55 0.07 91.39 0.84 0.72 6.84 90.74 0.77 0.03 0.03 0.03 43 A H H 34.15 14.08 14.56 28.93 92.85 55.25 -74.33 -21.44 39.17 0.76 60.07 7.22 4.36 28.04 57.01 2.50 0.11 0.30 0.46 44 N C T 115.22 2.77 17.42 20.93 97.58 80.79 -74.37 -2.52 75.79 0.53 23.68 5.22 7.39 60.89 22.91 2.99 0.02 0.23 0.34 45 G C T 53.61 3.23 16.52 20.41 100.67 28.75 -91.32 0.11 87.28 1.59 11.13 15.65 11.71 60.09 8.29 2.76 0.01 1.01 0.48 46 L C C 48.23 15.33 9.25 24.20 119.77 106.53 -97.27 140.14 84.39 13.87 1.73 67.38 15.22 1.26 1.41 0.50 0.00 6.04 8.19 47 S C C 54.31 3.40 18.99 22.20 121.02 -124.41 -80.42 162.50 88.39 10.09 1.51 83.59 4.47 0.62 1.30 0.28 0.00 5.69 4.06 48 R H H 123.27 10.28 13.63 24.66 91.48 -104.65 -58.59 -38.59 6.99 0.11 92.90 2.10 1.66 3.69 90.87 1.58 0.02 0.05 0.04 49 R H H 140.98 3.64 17.16 21.79 91.80 53.76 -64.03 -39.97 3.71 0.06 96.24 0.79 0.47 2.43 94.55 1.70 0.01 0.04 0.01 50 E H H 88.06 6.19 18.23 25.26 91.91 49.90 -66.13 -39.24 1.84 0.05 98.11 0.51 0.21 1.11 96.43 1.68 0.00 0.04 0.01 51 Y H H 47.45 15.05 16.13 31.59 91.73 51.14 -64.24 -42.47 0.96 0.03 99.00 0.31 0.10 0.52 98.24 0.80 0.00 0.03 0.00 52 I H H 54.86 12.15 18.84 31.28 91.66 49.74 -63.93 -41.86 0.87 0.05 99.08 0.23 0.09 0.53 98.60 0.50 0.00 0.04 0.00 53 L H H 79.45 5.49 21.58 27.42 91.74 49.80 -64.27 -41.48 1.15 0.05 98.80 0.26 0.11 0.74 98.28 0.57 0.00 0.03 0.00 54 G H H 20.85 9.37 19.56 30.15 91.74 50.99 -64.51 -41.34 3.02 0.08 96.90 0.56 0.26 2.15 95.96 0.99 0.01 0.06 0.01 55 L H H 34.75 15.46 17.68 33.32 92.27 50.28 -65.79 -41.30 5.42 0.24 94.35 1.29 0.57 3.63 92.78 1.48 0.03 0.17 0.05 56 V H H 62.73 9.74 18.57 28.76 92.19 49.84 -65.84 -39.75 11.85 1.18 86.97 4.41 1.57 6.49 84.79 1.63 0.07 0.78 0.28 57 A H H 65.36 4.63 19.33 24.24 92.64 51.77 -67.83 -35.47 26.44 1.89 71.67 9.32 3.32 14.13 69.41 1.95 0.10 1.24 0.54 58 I C H 78.75 9.10 17.12 26.57 95.85 46.46 -79.20 -26.99 55.69 2.04 42.28 26.53 6.50 20.97 42.28 1.86 0.05 1.09 0.71 59 G C C 32.89 10.84 17.15 27.71 102.38 31.56 -68.91 -15.54 71.81 1.09 27.11 39.74 8.12 21.51 27.53 2.15 0.01 0.52 0.43 60 G C H 35.63 9.61 17.01 26.65 101.87 68.89 -48.59 -27.73 57.83 1.76 40.41 35.79 8.16 13.48 36.52 4.45 0.02 0.94 0.63 61 A H H 57.53 8.70 17.86 26.67 98.76 62.57 -73.43 -24.22 39.79 5.52 54.69 24.61 6.84 9.82 47.34 6.10 0.10 4.14 1.05 62 G H H 30.88 10.47 18.06 28.50 98.33 57.31 -66.21 -35.21 26.64 12.58 60.78 17.42 4.42 6.15 52.02 6.57 0.09 12.25 1.09 63 I H H 66.63 13.16 16.87 29.56 96.97 54.12 -71.07 -35.31 13.63 18.99 67.37 8.58 2.30 3.49 58.89 6.06 0.06 19.79 0.82 64 L H H 80.99 9.25 18.22 27.55 96.07 56.09 -69.07 -36.97 10.46 19.63 69.91 5.87 1.76 3.17 61.28 6.46 0.07 20.73 0.67 65 A H H 54.21 8.43 18.08 26.81 96.03 53.42 -71.84 -35.25 12.06 19.07 68.87 6.06 2.13 4.38 59.85 7.10 0.13 19.49 0.87 66 W H H 114.92 11.06 16.69 27.66 97.52 49.99 -77.73 -22.83 19.07 15.94 65.00 7.99 3.73 8.70 54.98 7.62 0.52 14.92 1.54 67 G H H 35.75 10.59 16.38 26.85 99.99 47.68 -68.78 -18.74 38.81 8.50 52.70 12.60 7.04 20.64 43.81 6.86 0.50 6.87 1.67 68 G C H 41.63 8.10 15.61 24.23 104.89 47.12 -69.10 -5.19 56.80 6.06 37.13 19.00 11.87 27.17 29.17 6.84 0.30 3.69 1.96 69 K C T 129.91 5.36 15.00 21.53 106.27 71.20 -85.49 60.48 70.95 4.16 24.88 13.66 13.17 43.32 18.25 7.23 0.19 2.46 1.73 70 G C T 43.51 6.11 14.80 22.04 109.32 -34.70 91.16 4.47 79.80 3.79 16.41 20.69 16.28 43.76 9.30 6.28 0.05 2.18 1.47 71 A C C 52.80 10.91 11.39 22.57 102.64 62.46 -82.64 34.44 78.90 5.28 15.82 56.48 13.61 8.44 7.32 8.74 0.01 2.94 2.46 72 A C C 75.79 4.59 13.97 19.80 100.56 125.59 -76.14 -14.99 71.08 5.64 23.28 31.67 15.82 25.06 6.91 15.24 0.05 3.15 2.10 73 D C C 106.03 3.50 15.82 20.18 99.41 52.11 -85.94 6.56 70.54 5.79 23.67 28.49 15.68 28.41 5.40 16.74 0.05 3.56 1.66 74 V C C 54.35 14.01 10.89 24.87 116.31 110.81 -90.71 133.32 72.12 10.23 17.64 48.46 14.42 9.62 4.25 13.59 0.02 7.47 2.17 75 R C C 145.40 4.47 17.98 23.54 116.62 -154.01 -100.07 128.90 66.32 22.82 10.86 47.80 10.97 7.01 4.19 7.01 0.05 15.04 7.91 76 L C C 61.63 14.45 11.91 26.33 115.87 -143.44 -90.68 133.19 88.90 10.28 0.82 76.16 11.78 0.99 0.41 0.42 0.00 8.14 2.10 77 P C C 70.34 7.91 14.13 23.15 108.92 -116.73 -73.69 135.20 96.07 3.15 0.77 89.55 4.22 2.47 0.23 0.41 0.00 2.62 0.51 78 T C C 88.48 5.74 12.42 19.43 105.77 -152.38 -89.66 11.97 93.57 5.47 0.96 84.61 5.89 3.12 0.29 0.60 0.00 3.90 1.59 79 V C C 103.87 3.58 12.73 17.60 110.56 59.46 -97.84 100.01 87.23 11.81 0.96 76.12 8.58 2.13 0.43 0.57 0.00 7.19 4.98 80 G C C 35.34 6.34 12.29 20.05 128.26 -109.21 125.19 175.93 93.64 6.08 0.29 75.78 16.98 1.15 0.09 0.21 0.00 4.43 1.36 81 P C C 84.89 5.67 11.69 18.97 112.87 -52.60 -69.48 144.01 93.79 5.29 0.92 83.65 7.02 3.01 0.24 0.69 0.00 3.64 1.76 82 Q C C 123.85 4.59 10.19 16.52 113.51 -138.05 -87.27 133.93 90.23 8.68 1.09 76.09 11.34 2.10 0.41 0.71 0.00 3.81 5.54 83 Q C C 126.95 2.85 11.11 15.67 117.95 -116.57 -87.75 141.63 95.99 3.58 0.43 74.70 20.69 0.85 0.16 0.26 0.00 1.93 1.41 84 P C C 98.35 3.26 11.56 16.44 114.87 -101.04 -67.14 149.71 97.10 1.69 1.21 88.73 6.45 2.04 0.41 0.72 0.00 1.08 0.57 85 A C C 67.85 7.54 8.92 17.73 112.65 -105.76 -72.02 145.12 94.33 3.85 1.82 86.82 5.28 2.31 0.57 1.13 0.00 2.42 1.46 86 Q C C 132.02 2.64 12.93 16.81 116.18 -131.20 -93.85 139.12 88.26 10.18 1.57 79.42 6.80 1.71 0.57 0.98 0.00 6.14 4.38 87 V C C 103.52 5.59 10.99 18.16 112.71 -118.47 -83.87 135.63 84.82 14.16 1.02 73.27 9.28 1.73 0.45 0.62 0.00 7.70 6.97 88 G C C 30.90 7.93 9.31 18.56 124.17 -126.45 -90.31 171.55 94.51 4.91 0.58 76.57 16.14 1.83 0.19 0.41 0.00 2.94 1.91 89 P C C 101.48 2.88 11.92 15.77 105.15 -72.53 -69.88 139.73 90.01 3.31 6.69 54.85 16.16 18.41 1.02 6.39 0.00 1.91 1.26 90 R C T 164.48 3.55 9.30 14.40 107.62 -110.73 -86.12 105.86 85.99 4.61 9.40 33.42 19.37 33.57 1.25 8.18 0.00 2.45 1.75 91 G C C 50.01 3.99 9.46 15.04 111.62 14.10 81.09 102.55 84.70 5.67 9.63 38.23 19.84 27.03 1.08 8.85 0.00 3.39 1.56 92 R C C 172.08 2.20 10.22 13.87 110.23 -99.09 -89.29 125.00 84.19 9.26 6.54 73.12 4.38 6.64 1.39 4.90 0.00 5.97 3.59 93 L C C 109.90 5.74 10.52 17.61 106.17 -132.17 -83.46 84.73 98.92 1.01 0.06 98.86 0.25 0.10 0.02 0.01 0.00 0.61 0.14