# 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 139.35 3.54 13.80 18.81 113.23 -147.84 -95.17 123.43 99.74 0.23 0.03 99.58 0.18 0.07 0.01 0.00 0.00 0.10 0.05 1 Y C C 136.54 6.99 8.57 16.80 114.17 -159.16 -95.34 131.91 87.49 5.25 7.25 74.63 2.41 10.99 2.66 3.64 0.00 3.21 2.46 2 G C C 48.56 4.20 9.66 15.35 111.39 12.14 65.54 166.40 83.60 5.62 10.79 41.27 18.43 24.70 2.28 8.06 0.01 3.37 1.88 3 E C C 142.96 2.24 10.42 13.94 107.55 -85.00 -85.18 113.68 74.91 6.44 18.65 39.67 19.96 16.21 3.75 14.41 0.01 4.11 1.88 4 K C C 146.62 2.94 10.80 15.23 109.66 -99.91 -87.55 124.39 71.57 10.16 18.28 37.77 18.18 17.11 4.32 13.16 0.03 7.35 2.07 5 S C C 65.52 7.46 9.60 18.27 117.14 -140.79 -94.56 133.07 68.40 19.88 11.71 45.29 12.66 11.14 2.92 8.57 0.01 17.40 2.01 6 V C C 82.90 7.21 12.60 21.20 117.74 -163.50 -109.81 129.46 54.27 41.91 3.82 40.98 10.19 3.28 1.53 2.38 0.02 38.85 2.76 7 Y E E 134.29 6.90 13.89 22.06 120.28 -160.57 -108.15 135.44 37.64 60.73 1.62 30.37 5.79 1.65 0.81 0.95 0.01 57.24 3.18 8 F E E 77.37 12.39 11.76 24.95 121.78 -161.56 -114.22 133.76 36.79 62.76 0.45 32.56 3.26 0.41 0.23 0.26 0.00 58.92 4.35 9 D C C 73.79 5.29 16.73 23.14 109.48 -145.54 -96.98 114.39 55.60 44.17 0.23 54.11 1.31 0.17 0.09 0.12 0.00 41.68 2.52 10 L H G 74.67 12.30 11.00 23.93 93.97 -154.12 -65.96 -24.15 21.46 1.06 77.48 4.57 3.10 13.32 5.49 72.50 0.00 0.90 0.11 11 G H G 54.60 2.04 15.46 17.88 91.95 66.29 -69.30 -21.24 22.94 0.42 76.63 1.61 2.53 17.63 5.32 72.54 0.00 0.30 0.06 12 E H G 97.76 5.18 13.17 19.76 98.80 51.38 -97.11 7.57 21.63 0.57 77.81 7.07 3.62 10.34 5.90 72.60 0.00 0.36 0.11 13 I H G 52.94 15.43 8.88 23.67 95.73 106.00 -66.30 -31.67 36.54 0.84 62.63 10.39 5.36 20.34 13.58 49.45 0.01 0.46 0.40 14 D H G 114.52 2.13 15.47 18.09 93.48 64.49 -72.66 -16.72 45.53 0.51 53.96 4.24 4.88 34.68 10.88 44.68 0.02 0.30 0.32 15 N H G 111.37 2.53 14.73 17.76 102.09 49.98 -100.46 16.86 47.36 1.60 51.04 10.26 10.15 27.87 8.63 41.31 0.06 0.87 0.85 16 T C C 52.48 13.09 8.51 21.47 113.34 128.85 -86.21 130.46 79.94 8.65 11.40 51.24 20.73 7.41 5.96 5.39 0.02 3.76 5.50 17 T C C 95.17 3.97 15.08 20.01 102.64 -156.32 -88.49 0.55 78.16 10.45 11.39 41.90 18.64 18.63 4.15 6.66 0.04 6.12 3.86 18 G C C 38.31 8.59 13.21 22.58 116.42 60.28 -101.24 153.10 76.12 12.01 11.87 29.90 26.18 22.19 3.08 7.68 0.06 8.08 2.82 19 N C C 101.38 5.73 16.43 23.23 112.68 -122.88 -97.77 117.23 72.16 16.89 10.95 46.41 15.96 10.25 3.52 7.38 0.02 13.21 3.26 20 W C C 104.74 12.61 12.72 25.79 119.23 -155.79 -103.44 132.15 61.74 27.60 10.66 43.72 11.05 6.49 4.97 6.03 0.06 20.85 6.84 21 D C C 73.18 7.77 16.80 25.55 116.46 -161.25 -108.16 120.81 66.35 25.32 8.34 51.49 8.42 5.58 3.76 4.71 0.01 20.85 5.17 22 L C C 77.41 12.27 13.61 26.14 99.64 -167.20 -87.25 -6.27 72.36 16.62 11.02 29.30 21.81 23.35 3.50 6.56 0.10 12.02 3.36 23 Y C T 129.04 6.48 15.59 22.90 101.49 71.97 -92.69 10.24 78.54 13.08 8.37 24.94 25.01 30.12 2.46 5.28 0.07 8.58 3.56 24 G C C 39.03 7.69 13.47 22.21 108.34 -95.07 84.01 4.05 87.94 6.69 5.37 37.74 24.68 26.16 0.93 4.42 0.00 4.12 1.94 25 N C C 93.88 6.28 13.05 20.56 107.30 97.97 -95.66 61.47 88.85 6.12 5.03 39.98 25.04 24.39 1.07 3.87 0.01 3.13 2.51 26 D C S 100.53 5.19 12.57 19.13 103.63 137.95 -90.99 15.54 90.50 4.47 5.03 35.71 36.11 18.98 1.25 3.61 0.00 2.18 2.16 27 D C C 77.71 4.82 13.47 19.82 112.12 102.45 -97.72 112.89 95.18 2.31 2.51 65.62 27.64 1.90 1.52 0.90 0.00 0.91 1.51 28 P H G 79.10 8.58 10.57 20.53 94.94 -151.66 -64.10 -25.47 44.67 1.79 53.54 21.95 6.83 15.89 22.44 31.18 0.01 1.02 0.67 29 N H G 117.67 2.04 14.20 16.76 94.61 64.23 -71.79 -21.61 35.56 2.12 62.32 12.81 6.07 16.46 26.28 36.36 0.05 1.32 0.63 30 R H G 116.88 6.02 13.75 21.05 94.74 59.50 -74.59 -26.05 31.27 3.25 65.48 12.09 6.78 12.94 29.58 35.57 0.11 2.00 0.93 31 Y H H 63.54 14.53 10.56 24.94 98.98 47.51 -91.61 -8.40 41.93 2.98 55.09 18.83 11.94 13.13 35.26 17.77 0.17 1.43 1.47 32 N H H 87.59 5.98 15.06 22.29 96.73 89.03 -64.90 -37.44 31.87 0.74 67.39 12.57 5.07 14.91 53.75 12.90 0.05 0.41 0.33 33 G H H 48.69 2.13 17.23 18.77 94.39 46.29 -66.93 -32.12 27.02 0.35 72.63 5.27 3.76 17.45 59.78 13.29 0.09 0.20 0.17 34 F H H 77.14 9.98 15.16 25.91 96.18 52.30 -77.06 -27.92 16.67 0.47 82.87 6.16 2.74 8.26 68.87 13.46 0.05 0.29 0.18 35 Q H H 54.61 14.81 13.97 28.65 93.31 68.18 -62.37 -42.05 4.72 0.10 95.18 2.62 0.81 1.80 92.93 1.76 0.00 0.05 0.03 36 N H H 86.62 3.81 18.85 23.07 92.16 52.56 -64.71 -39.55 2.69 0.04 97.26 0.94 0.37 1.46 95.92 1.26 0.00 0.03 0.01 37 K H H 108.20 3.25 19.92 22.96 92.03 50.36 -65.45 -41.19 1.84 0.05 98.11 0.48 0.26 1.15 97.03 1.03 0.00 0.03 0.01 38 F H H 41.55 14.28 16.28 31.23 92.13 49.80 -64.95 -42.99 1.20 0.06 98.74 0.38 0.18 0.68 98.13 0.56 0.00 0.04 0.01 39 F H H 64.80 13.24 16.80 30.19 92.03 50.32 -64.02 -40.99 0.85 0.05 99.10 0.23 0.10 0.51 98.81 0.31 0.00 0.03 0.01 40 E H H 117.54 2.81 19.99 22.69 92.18 49.95 -65.74 -40.12 1.21 0.04 98.75 0.21 0.11 0.87 98.44 0.34 0.00 0.03 0.01 41 T H H 67.99 5.39 19.49 25.26 93.48 45.36 -68.14 -40.61 2.98 0.04 96.97 0.38 0.25 2.34 96.44 0.54 0.01 0.02 0.01 42 F H H 50.10 14.71 16.20 30.97 95.10 43.12 -76.68 -36.10 7.13 0.07 92.80 0.96 0.65 5.50 91.64 1.16 0.03 0.03 0.03 43 A H H 36.54 12.00 15.05 27.77 92.23 56.23 -66.35 -33.21 20.11 0.39 79.50 3.67 2.19 14.54 74.03 5.02 0.13 0.20 0.21 44 G H H 46.95 3.25 18.72 22.18 92.75 59.17 -69.39 -24.60 43.53 0.45 56.02 3.81 3.56 34.73 50.61 6.67 0.13 0.23 0.26 45 A C H 56.93 7.22 15.79 24.01 96.18 55.12 -83.10 -8.70 54.13 1.09 44.78 7.73 6.74 38.56 39.45 6.25 0.14 0.60 0.54 46 F C C 69.50 14.22 11.06 25.25 114.13 83.67 -95.86 125.95 63.20 13.13 23.67 41.07 15.04 7.32 20.75 3.47 0.11 6.97 5.26 47 T C C 75.54 4.56 16.08 21.51 115.71 -150.06 -92.37 154.65 70.23 9.73 20.04 51.99 10.37 6.32 19.70 2.52 0.01 6.73 2.36 48 K H H 124.30 5.87 14.24 21.39 98.37 -104.99 -66.15 -33.41 46.24 6.26 47.50 24.79 14.99 7.94 43.84 2.88 0.09 4.04 1.42 49 R H H 140.13 4.19 15.43 20.57 94.09 53.70 -67.14 -35.70 22.00 2.16 75.84 8.12 4.35 10.64 70.07 4.48 0.11 1.78 0.45 50 G H H 28.89 5.93 15.84 23.17 93.17 53.01 -64.70 -39.45 15.59 2.02 82.39 6.49 2.49 7.50 76.36 4.82 0.06 1.99 0.29 51 L H H 52.81 9.93 15.70 26.82 92.74 52.46 -65.19 -40.82 6.43 2.75 90.82 3.26 0.98 2.70 85.13 4.79 0.02 2.97 0.16 52 L H H 57.80 11.04 16.46 28.18 92.24 51.80 -64.13 -40.77 4.02 3.11 92.87 1.79 0.55 1.89 88.25 3.96 0.02 3.43 0.11 53 L H H 79.93 6.24 18.64 25.54 92.14 50.82 -64.48 -40.31 4.40 3.46 92.14 1.67 0.58 2.29 87.28 4.20 0.03 3.82 0.13 54 K H H 100.39 5.88 19.11 25.57 92.30 50.98 -66.06 -39.49 7.43 3.78 88.79 2.15 0.95 4.53 83.12 4.87 0.10 4.07 0.22 55 F H H 67.49 11.22 16.59 28.45 93.22 50.27 -67.70 -39.46 8.43 5.21 86.37 2.87 1.30 4.83 80.95 4.31 0.14 5.25 0.36 56 L H H 67.80 9.96 16.29 26.82 92.64 52.39 -65.78 -39.87 10.69 7.41 81.91 4.49 1.81 5.20 77.43 3.58 0.17 6.71 0.60 57 V H H 85.86 4.98 17.58 22.93 93.66 50.51 -68.48 -37.88 15.85 6.41 77.74 5.22 2.51 9.00 72.74 3.83 0.29 5.65 0.75 58 L H H 90.99 5.99 16.66 23.30 95.93 48.62 -74.90 -30.92 27.01 3.79 69.20 5.53 4.08 18.23 63.53 4.29 0.54 2.93 0.86 59 G H H 34.00 9.12 15.81 25.42 99.70 45.25 -76.45 -20.11 46.23 1.92 51.85 9.56 7.49 29.54 47.64 3.79 0.20 1.06 0.72 60 G C H 34.48 8.74 16.36 25.56 104.51 55.86 -54.93 -36.02 49.77 2.62 47.60 16.49 10.78 23.64 40.56 5.86 0.18 1.59 0.90 61 A H H 58.04 8.12 16.66 25.07 97.08 52.99 -69.17 -29.06 32.15 3.87 63.98 15.08 6.49 12.45 54.90 7.07 0.16 2.97 0.87 62 T H H 66.29 7.93 17.12 25.65 95.90 61.93 -69.24 -35.49 23.01 7.60 69.40 13.16 4.09 7.33 60.13 6.97 0.13 7.24 0.94 63 T H H 54.44 10.16 16.64 27.39 95.13 55.61 -68.08 -38.24 13.89 10.04 76.07 8.02 2.59 4.55 65.99 7.31 0.13 10.65 0.76 64 I H H 71.80 10.03 16.34 26.77 94.11 52.91 -67.95 -38.25 9.75 9.50 80.76 4.67 1.84 4.08 70.19 8.29 0.17 10.15 0.60 65 G H H 35.88 7.51 16.20 24.50 94.50 53.80 -67.27 -35.58 12.50 6.99 80.51 4.96 2.03 6.05 69.87 8.82 0.21 7.49 0.58 66 Y H H 123.09 7.39 15.80 23.96 96.06 52.82 -75.47 -28.18 20.11 6.19 73.70 6.09 3.25 11.46 63.65 8.37 0.50 5.73 0.96 67 L H H 92.66 8.12 14.58 23.44 99.71 54.71 -85.19 -4.93 40.15 6.01 53.84 8.43 6.64 25.41 47.29 5.55 0.73 4.25 1.71 68 G C T 47.78 5.76 15.69 22.16 103.54 6.10 75.50 2.07 73.69 4.56 21.76 23.31 12.07 37.89 19.47 3.13 0.06 2.69 1.39 69 S C C 54.53 9.86 12.22 22.89 115.60 122.53 -89.13 142.17 84.02 8.36 7.62 44.08 21.77 18.86 4.83 2.77 0.02 5.43 2.26 70 T C C 103.12 3.60 15.89 20.62 106.05 -153.54 -94.96 28.47 80.12 15.18 4.70 45.28 20.22 15.27 2.33 2.45 0.03 9.48 4.95 71 S C C 43.06 12.97 10.52 23.55 119.66 130.95 -89.75 148.01 86.13 12.57 1.30 63.37 20.63 2.02 0.65 0.73 0.00 6.83 5.77 72 S C C 54.80 4.84 17.24 22.70 117.02 -109.19 -80.71 147.30 97.28 2.10 0.62 91.27 5.51 0.63 0.31 0.25 0.00 1.08 0.95 73 P H G 81.59 10.30 12.56 23.41 93.64 -115.54 -61.82 -26.57 48.58 0.72 50.70 6.10 5.85 35.39 7.62 44.29 0.01 0.43 0.30 74 D C G 107.69 3.23 16.70 20.44 93.88 63.26 -75.11 -15.16 50.28 0.71 49.01 4.64 5.31 38.95 8.69 41.60 0.02 0.44 0.34 75 L H G 72.93 9.83 15.76 26.05 98.38 57.13 -86.78 -14.57 43.91 2.65 53.44 11.62 10.32 23.85 9.52 42.11 0.06 1.61 0.92 76 L C S 41.22 16.57 12.89 29.04 113.57 88.26 -90.83 121.40 74.00 10.47 15.53 33.69 34.45 6.71 9.80 5.11 0.19 4.80 5.26 77 A C C 51.79 7.90 18.38 26.88 105.37 -157.77 -77.19 98.94 73.35 16.85 9.80 57.39 9.75 5.33 7.26 2.74 0.02 11.45 6.06 78 I C C 60.14 13.86 11.05 24.97 111.84 82.78 -93.51 117.09 70.92 20.62 8.46 57.65 8.21 3.60 6.46 2.21 0.02 13.31 8.55 79 K C C 143.97 2.89 15.43 19.33 100.09 -172.75 -87.40 -26.46 78.05 15.32 6.62 46.21 24.73 7.96 4.60 2.01 0.03 10.77 3.71 80 N C S 114.37 2.18 15.42 18.02 123.34 15.77 -128.03 132.83 78.90 16.35 4.74 35.14 36.07 8.66 3.10 1.72 0.02 10.38 4.90 81 G C C 30.51 9.39 11.47 21.73 130.21 -139.45 106.27 175.58 90.75 8.71 0.54 58.11 31.69 1.76 0.16 0.40 0.00 5.87 2.02 82 P C C 77.08 6.71 12.08 20.29 112.62 -59.62 -68.59 144.28 92.89 5.62 1.49 74.53 11.46 6.60 0.31 1.34 0.00 3.85 1.91 83 K C C 142.99 3.85 10.98 16.52 110.51 -144.09 -89.64 112.78 91.93 6.74 1.34 69.44 17.51 4.55 0.32 1.10 0.00 2.95 4.12 84 Q C C 130.81 2.50 11.51 15.53 117.21 -99.90 -93.04 143.07 95.33 4.19 0.48 71.05 23.79 0.92 0.14 0.31 0.00 1.87 1.93 85 V C C 107.57 3.34 11.38 16.44 115.30 -100.71 -74.67 144.87 98.77 1.14 0.10 93.08 5.61 0.24 0.03 0.05 0.00 0.60 0.39 86 P C C 77.08 7.88 8.56 17.82 113.80 -105.77 -66.83 147.16 98.17 1.44 0.38 95.17 2.57 0.63 0.12 0.21 0.00 0.77 0.53 87 V C C 113.50 2.27 12.58 16.16 117.28 -127.21 -92.31 138.53 88.95 10.42 0.64 83.91 4.24 0.86 0.24 0.36 0.00 4.88 5.51 88 M C C 125.18 4.70 10.45 17.06 112.54 -112.71 -77.26 136.79 85.32 13.97 0.71 73.22 10.01 1.42 0.29 0.44 0.00 7.14 7.48 89 G C C 31.19 6.98 8.38 16.93 123.18 -125.10 -87.12 170.72 95.36 3.85 0.78 72.91 20.21 2.15 0.25 0.54 0.00 2.04 1.91 90 P C C 106.51 2.03 10.62 13.55 101.14 -72.85 -68.75 -12.98 85.28 2.16 12.57 43.70 16.85 23.79 1.47 12.09 0.00 1.05 1.04 91 R C T 170.97 2.17 8.25 11.88 104.64 49.85 -82.66 36.77 81.75 1.89 16.36 16.67 16.61 47.64 1.61 15.52 0.00 0.96 0.97 92 G C T 53.71 2.75 8.50 12.80 106.96 -7.55 84.56 16.11 80.85 2.63 16.53 26.82 17.22 36.62 1.59 15.28 0.00 1.32 1.14 93 R C C 164.96 2.42 7.88 12.07 111.49 123.06 -87.33 126.20 86.82 3.57 9.60 76.13 3.84 7.15 1.93 7.15 0.00 1.93 1.88 94 K C C 152.53 2.31 10.28 14.20 110.92 -133.21 -85.46 127.05 99.56 0.35 0.09 99.21 0.28 0.20 0.03 0.02 0.00 0.17 0.09