# 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 S C C 68.10 6.87 16.03 23.90 118.79 -158.05 -103.88 138.89 99.76 0.22 0.02 99.74 0.08 0.03 0.01 0.00 0.00 0.12 0.01 1 M C C 85.58 11.85 11.86 24.00 119.38 -158.86 -108.90 133.23 79.16 17.49 3.35 76.30 1.19 1.83 2.07 0.90 0.00 15.48 2.23 2 K C C 131.07 4.04 15.82 21.28 116.32 -155.08 -99.29 129.89 62.00 33.24 4.76 51.60 6.27 3.15 2.93 2.05 0.01 29.99 4.00 3 I C C 58.63 15.47 10.86 25.99 115.63 -153.18 -97.58 126.53 62.17 32.10 5.72 51.14 6.59 3.42 3.66 2.32 0.01 29.40 3.45 4 T C C 72.69 6.35 16.12 23.42 117.83 -168.44 -105.36 144.86 70.86 21.19 7.96 53.10 10.59 6.15 5.49 2.84 0.01 19.38 2.44 5 S C C 64.03 8.25 13.86 22.91 107.14 -114.76 -90.39 68.19 72.33 9.71 17.96 41.32 18.29 12.76 13.55 4.72 0.04 7.58 1.73 6 S C C 69.64 5.95 15.62 22.36 105.18 57.25 -86.62 16.68 66.78 3.60 29.62 28.95 18.75 19.36 23.73 5.84 0.06 2.32 0.99 7 N C H 78.38 9.14 16.33 25.91 104.78 63.28 -83.46 18.01 55.98 4.71 39.30 28.62 13.35 14.67 32.92 6.03 0.08 3.20 1.13 8 F H H 61.37 16.37 14.40 30.06 100.71 89.56 -81.53 -13.30 29.61 10.72 59.67 19.12 6.00 6.55 51.22 6.13 0.13 9.33 1.53 9 A H H 48.16 10.25 17.54 28.25 104.06 74.31 -83.09 7.02 20.66 15.71 63.63 12.65 3.79 5.28 55.38 5.99 0.12 15.70 1.10 10 T H H 66.17 8.00 19.32 27.68 106.27 54.90 -90.03 32.27 17.93 20.37 61.69 10.63 3.17 4.76 54.31 5.63 0.11 20.23 1.15 11 I H H 44.80 15.28 15.85 31.11 108.70 48.93 -90.02 104.65 18.85 19.02 62.13 11.40 3.44 4.93 55.45 4.97 0.12 18.30 1.39 12 A H H 39.31 12.58 16.22 29.11 110.09 -136.71 -85.49 118.78 29.47 13.23 57.29 16.95 5.11 8.25 51.63 4.33 0.12 12.19 1.43 13 T H H 71.33 7.30 16.78 24.77 105.98 -149.00 -93.25 7.03 44.69 7.29 48.02 20.05 9.78 16.05 42.76 4.19 0.18 5.72 1.28 14 S C H 57.47 8.40 14.21 23.39 103.52 38.67 -77.73 -6.84 54.68 3.27 42.04 23.14 15.42 17.32 36.38 4.67 0.12 1.97 0.98 15 E C H 123.80 4.54 16.17 21.73 97.63 57.39 -73.28 -21.51 51.38 1.68 46.94 13.42 12.17 26.70 37.83 8.02 0.18 0.98 0.69 16 N C H 75.66 8.98 16.31 25.79 99.88 56.91 -80.42 -12.66 49.74 2.92 47.34 17.14 9.85 23.71 36.61 9.62 0.20 1.92 0.96 17 F H H 54.02 16.76 13.76 29.71 97.21 71.85 -73.63 -26.55 34.70 11.38 53.92 18.07 7.23 11.03 37.98 14.50 0.38 8.67 2.14 18 A H H 51.32 9.62 16.93 27.18 97.57 67.30 -70.00 -27.57 32.33 16.11 51.57 15.77 6.49 11.03 36.34 14.60 0.41 13.43 1.95 19 K H H 119.58 5.81 19.21 25.52 98.67 58.41 -83.04 -5.98 32.02 22.05 45.94 15.99 6.01 11.00 31.70 14.27 0.31 18.59 2.12 20 L H H 48.37 16.81 13.35 29.50 105.03 83.37 -83.48 56.06 37.23 23.38 39.39 22.90 6.82 8.21 28.42 11.11 0.17 19.94 2.43 21 S C C 59.22 9.45 17.73 27.44 108.89 109.66 -86.92 97.50 48.40 24.02 27.57 27.58 9.23 12.10 19.06 8.67 0.14 20.84 2.39 22 V C C 79.17 8.94 17.22 26.73 109.45 58.38 -95.95 98.92 57.10 22.41 20.49 31.20 15.02 12.14 12.96 7.27 0.21 17.97 3.23 23 L C C 44.87 16.39 11.59 27.67 117.32 -135.94 -89.99 136.32 86.02 10.49 3.50 52.75 31.54 2.29 2.58 1.00 0.01 7.72 2.11 24 P C C 57.19 7.76 14.46 23.87 112.26 -107.31 -66.30 149.17 88.13 6.22 5.66 78.02 5.31 4.80 3.15 2.42 0.00 4.85 1.44 25 K C T 149.12 3.36 13.09 18.18 97.78 -111.71 -67.90 -24.10 84.04 2.13 13.84 20.44 18.70 45.28 5.54 7.81 0.02 1.09 1.11 26 N C T 117.14 2.40 13.90 17.05 100.66 46.47 -85.53 20.67 84.57 1.70 13.73 19.43 19.31 46.39 5.11 7.97 0.01 0.86 0.91 27 H C C 79.18 11.28 10.02 21.75 109.57 112.61 -89.96 109.23 82.95 3.63 13.42 54.22 18.66 9.94 6.62 6.71 0.00 1.63 2.22 28 R C C 144.76 5.41 14.52 21.17 101.63 134.02 -83.27 -15.43 78.40 3.02 18.58 52.68 17.46 7.82 15.18 3.93 0.01 1.36 1.56 29 E C H 101.35 5.65 15.99 22.63 111.34 71.71 -81.18 138.43 59.05 1.68 39.28 34.25 17.42 8.08 34.46 4.34 0.01 0.81 0.62 30 P C C 64.82 7.25 17.82 25.93 100.50 -46.96 -67.45 -25.13 55.22 2.01 42.77 39.73 6.46 8.82 39.03 4.13 0.01 1.17 0.66 31 I H H 26.13 20.42 14.01 33.34 95.94 56.19 -68.58 -35.51 32.68 3.67 63.65 24.51 4.27 5.90 56.92 4.96 0.03 2.31 1.10 32 K H H 95.75 10.54 19.17 29.69 93.30 58.35 -63.51 -41.08 14.89 1.64 83.47 7.73 2.53 5.59 75.06 7.28 0.06 1.41 0.34 33 G H H 35.60 3.46 22.04 25.07 92.56 50.39 -64.87 -40.43 13.72 0.80 85.48 4.82 2.11 6.99 77.39 7.76 0.07 0.67 0.20 34 L H H 41.06 13.59 19.48 33.18 92.65 50.38 -66.25 -41.13 13.05 0.82 86.13 4.92 2.15 6.57 79.08 6.36 0.05 0.66 0.21 35 F H H 21.96 21.25 17.21 37.73 92.51 48.42 -67.72 -40.41 10.62 1.42 87.96 6.00 1.81 3.76 84.87 2.16 0.02 1.09 0.30 36 K H H 108.39 5.80 22.98 29.30 91.97 52.58 -63.33 -41.64 3.86 0.28 95.86 1.97 0.57 1.54 94.84 0.80 0.00 0.23 0.04 37 S H H 52.00 4.05 23.85 27.50 92.11 49.34 -65.10 -41.31 2.71 0.21 97.08 1.22 0.35 1.25 96.23 0.74 0.00 0.18 0.03 38 A H H 9.23 18.49 18.41 37.33 92.01 50.68 -64.18 -42.54 1.66 0.06 98.29 0.69 0.22 0.79 97.64 0.61 0.00 0.04 0.01 39 V H H 31.93 15.77 20.07 35.59 91.74 50.17 -63.49 -42.34 1.24 0.03 98.73 0.40 0.16 0.67 98.22 0.52 0.00 0.02 0.01 40 E H H 110.97 2.44 24.82 26.11 91.74 50.17 -64.02 -41.53 2.02 0.03 97.95 0.47 0.22 1.29 97.24 0.74 0.01 0.02 0.01 41 Q H H 72.25 8.83 22.03 31.08 92.17 49.12 -65.54 -40.84 5.11 0.04 94.85 0.70 0.45 3.86 93.96 0.98 0.02 0.02 0.02 42 F H H 20.58 20.81 17.12 37.58 92.66 48.49 -66.96 -40.46 9.03 0.09 90.87 2.14 1.26 5.67 89.46 1.35 0.02 0.04 0.05 43 S H H 49.45 7.24 22.09 29.78 91.74 52.94 -63.95 -40.02 17.82 0.25 81.93 4.51 2.33 10.80 80.12 1.98 0.03 0.11 0.11 44 S H H 56.81 3.25 23.32 25.79 91.99 51.02 -65.88 -38.60 28.34 0.27 71.38 5.51 3.10 19.22 69.40 2.49 0.03 0.13 0.12 45 A H H 13.45 16.98 16.76 34.18 92.73 53.19 -65.47 -40.05 17.85 0.26 81.88 7.11 3.13 8.30 77.07 4.09 0.04 0.13 0.11 46 R H H 87.72 12.71 18.54 31.03 92.07 54.87 -63.42 -41.45 9.21 0.16 90.63 3.17 1.42 4.77 82.53 7.94 0.02 0.10 0.05 47 D H H 85.93 2.13 22.03 22.71 92.14 51.05 -65.16 -39.95 8.07 0.13 91.79 2.24 1.04 4.65 81.46 10.46 0.02 0.09 0.04 48 F H H 66.91 8.45 17.01 26.89 92.70 51.04 -66.29 -39.92 7.45 0.10 92.45 1.37 0.91 4.96 81.02 11.62 0.03 0.07 0.03 49 F H H 41.79 15.97 12.49 28.51 93.63 51.37 -70.31 -30.13 17.49 0.32 82.18 3.30 2.33 12.07 72.84 9.02 0.10 0.18 0.16 50 K H H 135.07 3.48 15.98 20.46 94.09 58.16 -73.78 -21.04 44.62 0.58 54.80 6.75 6.50 31.67 49.12 5.22 0.11 0.25 0.38 51 N C S 95.49 3.96 12.19 17.49 102.39 71.45 -83.67 19.54 83.41 1.82 14.77 33.96 34.35 14.75 12.70 2.20 0.02 0.53 1.50 52 E C T 143.68 2.69 12.06 16.07 100.06 -123.62 -75.14 -9.63 93.71 0.28 6.01 4.50 13.31 76.26 2.99 2.58 0.00 0.13 0.23 53 N C T 130.76 1.30 14.44 15.59 98.42 46.38 -86.15 24.45 96.72 0.27 3.02 11.40 12.63 72.90 1.09 1.70 0.00 0.14 0.13 54 Y C C 56.04 16.16 7.52 22.64 117.88 135.13 -91.30 138.82 93.69 3.26 3.06 66.33 24.31 2.41 1.98 1.08 0.00 0.94 2.95 55 S C C 58.99 3.09 17.31 20.44 117.25 -113.66 -73.75 154.93 97.27 0.85 1.88 95.37 1.62 0.49 1.61 0.18 0.00 0.28 0.45 56 K H H 132.92 5.64 13.12 20.62 92.74 -113.80 -59.76 -36.67 2.64 0.01 97.35 0.61 0.42 1.44 96.57 0.95 0.00 0.00 0.00 57 E H H 129.36 1.33 18.37 18.29 92.14 53.25 -64.52 -40.77 1.45 0.01 98.54 0.23 0.15 0.96 97.50 1.15 0.00 0.01 0.00 58 L H H 50.08 8.40 16.57 26.60 92.36 48.69 -65.97 -41.01 0.64 0.01 99.35 0.13 0.06 0.38 98.34 1.09 0.00 0.00 0.00 59 A H H 10.33 17.58 13.33 31.60 91.60 51.65 -62.93 -42.49 0.47 0.00 99.53 0.10 0.04 0.26 99.12 0.49 0.00 0.00 0.00 60 E H H 97.40 4.33 21.03 25.56 91.73 50.63 -64.36 -40.67 1.43 0.01 98.56 0.19 0.10 1.00 97.91 0.79 0.00 0.00 0.00 61 K H H 110.27 2.93 22.41 24.57 92.25 49.80 -65.80 -41.03 3.36 0.01 96.62 0.36 0.24 2.56 95.92 0.91 0.01 0.01 0.00 62 F H H 32.78 16.11 17.74 34.03 92.72 48.78 -65.60 -41.45 9.39 0.07 90.53 1.70 1.22 6.34 89.60 1.05 0.02 0.03 0.04 63 N H H 41.03 16.01 18.73 34.04 93.51 50.57 -65.96 -40.26 21.01 0.50 78.49 9.10 2.75 9.18 77.34 1.18 0.02 0.22 0.20 64 K H H 116.46 4.20 22.30 26.66 92.97 51.50 -65.46 -41.59 9.86 0.52 89.62 3.31 1.56 5.22 88.06 1.28 0.02 0.46 0.10 65 E H H 98.47 3.53 23.65 26.54 92.63 46.93 -66.14 -41.93 8.09 0.74 91.18 2.76 1.15 4.27 89.61 1.36 0.01 0.73 0.11 66 A H H 12.05 16.29 18.60 35.53 92.25 49.15 -64.88 -42.63 6.78 0.81 92.41 3.04 0.90 3.03 90.98 1.17 0.01 0.78 0.10 67 V H H 23.63 17.64 19.19 36.62 91.78 49.37 -63.49 -42.72 3.21 0.37 96.42 1.75 0.41 1.17 95.79 0.51 0.00 0.32 0.04 68 N H H 85.42 3.51 24.69 27.72 91.58 49.92 -64.14 -41.83 1.94 0.12 97.94 0.95 0.24 0.79 97.56 0.34 0.00 0.09 0.02 69 E H H 85.28 4.90 24.23 29.09 91.77 48.87 -65.00 -41.75 1.18 0.05 98.77 0.52 0.14 0.52 98.54 0.23 0.00 0.03 0.01 70 A H H 6.90 19.64 18.20 38.33 91.75 50.07 -63.97 -42.91 0.63 0.01 99.36 0.24 0.06 0.30 99.28 0.11 0.00 0.00 0.00 71 V H H 37.94 13.79 21.15 34.96 91.92 49.68 -63.41 -42.59 0.36 0.00 99.64 0.09 0.03 0.18 99.64 0.05 0.00 0.00 0.00 72 E H H 104.73 2.26 25.19 25.77 91.62 50.00 -63.68 -42.35 0.31 0.00 99.69 0.06 0.02 0.18 99.70 0.04 0.00 0.00 0.00 73 K H H 76.01 9.41 22.42 32.04 91.87 48.95 -65.15 -41.38 0.38 0.00 99.62 0.06 0.02 0.23 99.65 0.04 0.00 0.00 0.00 74 L H H 13.13 21.76 17.40 38.93 91.81 50.18 -64.34 -41.91 0.29 0.00 99.71 0.04 0.02 0.17 99.73 0.04 0.00 0.00 0.00 75 Q H H 87.02 6.95 23.01 30.31 91.35 51.32 -63.43 -41.43 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 76 K H H 112.22 2.64 24.82 26.26 91.74 49.62 -64.61 -41.54 0.31 0.00 99.69 0.04 0.02 0.20 99.71 0.04 0.00 0.00 0.00 77 A H H 13.50 16.12 19.01 35.74 92.04 50.39 -64.12 -42.29 0.29 0.00 99.71 0.04 0.02 0.18 99.73 0.04 0.00 0.00 0.00 78 I H H 34.18 15.42 19.19 34.63 92.05 49.41 -64.07 -42.23 0.29 0.00 99.71 0.04 0.02 0.17 99.73 0.05 0.00 0.00 0.00 79 D H H 79.18 2.51 23.38 24.61 91.67 50.29 -63.71 -41.52 0.54 0.00 99.46 0.09 0.03 0.32 99.49 0.07 0.00 0.00 0.00 80 L H H 58.51 5.90 19.51 26.52 92.06 50.08 -64.52 -41.68 0.81 0.00 99.19 0.12 0.05 0.53 99.10 0.19 0.00 0.00 0.00 81 A H H 10.68 16.05 13.08 30.28 91.83 51.25 -63.69 -41.49 1.53 0.01 98.46 0.25 0.13 1.01 98.22 0.39 0.00 0.00 0.00 82 E H H 106.32 5.18 15.97 22.38 92.05 50.74 -64.61 -39.37 4.37 0.02 95.61 0.55 0.33 3.24 94.90 0.95 0.01 0.01 0.01 83 K H H 153.56 1.19 15.83 16.35 91.58 53.47 -66.79 -29.61 12.68 0.03 87.29 0.73 0.69 10.97 86.51 1.05 0.02 0.01 0.02 84 Q C T 97.19 5.98 12.22 19.75 94.79 51.41 -88.63 -1.12 65.03 0.13 34.85 1.61 2.92 58.12 35.76 1.46 0.01 0.04 0.09 85 G C T 57.20 1.78 15.16 17.17 96.97 -108.56 80.39 14.51 97.34 0.24 2.42 9.75 5.41 82.43 1.71 0.48 0.00 0.13 0.09 86 I C C 64.13 11.77 8.18 20.42 114.15 143.01 -91.78 125.58 94.88 2.90 2.23 83.23 6.70 5.13 1.08 0.95 0.00 1.89 1.02 87 Q C C 136.12 2.06 14.32 17.33 113.68 -153.47 -98.72 125.91 95.43 3.19 1.38 91.69 1.23 3.04 0.56 0.47 0.00 2.03 0.98 88 F C C 98.95 12.64 11.78 24.12 116.29 -159.48 -99.22 129.26 99.90 0.08 0.01 99.86 0.07 0.02 0.00 0.00 0.00 0.04 0.01