# 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 A C C 52.21 10.56 13.07 24.27 116.51 -141.01 -82.68 142.45 99.78 0.14 0.08 99.62 0.15 0.08 0.04 0.01 0.00 0.06 0.03 1 K C C 124.65 5.45 12.35 19.44 115.81 -142.27 -91.98 140.01 86.07 3.06 10.87 81.79 1.38 3.16 9.39 1.30 0.00 1.36 1.62 2 S C C 58.34 6.93 10.45 18.81 112.51 -119.24 -77.52 149.06 69.57 2.83 27.60 55.34 7.16 6.70 24.03 4.05 0.00 1.35 1.37 3 K H H 144.70 3.17 13.12 17.66 95.58 -123.33 -67.30 -25.76 41.79 1.26 56.95 18.34 9.90 15.39 46.92 8.18 0.07 0.64 0.55 4 N H H 81.65 7.38 13.01 21.63 98.48 57.29 -86.55 -3.19 38.31 1.25 60.44 17.01 8.73 14.73 49.89 8.34 0.10 0.62 0.57 5 H H H 79.97 10.17 13.19 24.18 99.79 75.62 -81.81 0.48 34.51 1.61 63.88 21.95 7.31 7.76 55.53 5.98 0.03 0.79 0.65 6 T H H 61.94 7.56 15.17 23.87 105.42 95.38 -83.29 -25.69 33.18 1.66 65.15 22.90 5.94 6.27 59.76 3.68 0.02 0.84 0.59 7 T H H 66.07 7.77 16.04 24.63 101.50 53.96 -76.24 -32.09 28.64 1.19 70.17 17.86 5.95 6.84 64.90 3.40 0.03 0.60 0.41 8 H H H 83.76 9.94 15.38 25.91 97.05 55.36 -76.73 -29.83 27.57 0.99 71.44 14.57 6.35 8.68 65.78 3.70 0.04 0.49 0.39 9 N H H 75.23 7.79 16.44 25.01 98.79 55.19 -75.74 -23.68 31.52 0.88 67.60 17.11 6.55 9.65 62.11 3.75 0.03 0.42 0.37 10 Q H H 84.44 7.31 16.72 24.82 96.65 60.03 -72.54 -29.79 30.93 0.83 68.24 17.05 6.47 9.17 62.90 3.63 0.03 0.39 0.36 11 S H H 36.25 10.98 13.55 25.52 98.11 57.86 -71.83 -32.03 30.58 0.82 68.59 19.03 5.54 7.85 62.97 3.86 0.02 0.39 0.34 12 R H H 128.66 4.96 16.07 22.05 94.77 60.94 -67.53 -35.73 20.56 0.72 78.72 9.34 4.35 8.77 71.69 5.11 0.06 0.39 0.28 13 K H H 107.65 3.93 16.44 21.01 93.59 55.63 -67.22 -38.00 18.17 0.85 80.99 7.02 3.87 9.18 72.81 6.16 0.14 0.49 0.32 14 W H H 79.70 10.36 12.89 24.40 93.93 51.53 -69.28 -38.25 17.86 1.23 80.92 8.23 3.70 7.93 71.79 7.05 0.11 0.76 0.42 15 H H H 84.44 9.05 12.86 22.88 96.61 51.62 -74.03 -34.27 21.18 1.63 77.18 10.46 3.84 9.13 66.80 8.10 0.10 1.02 0.56 16 R H H 153.71 2.85 14.93 18.49 96.11 53.90 -72.05 -26.68 28.41 1.18 70.41 6.95 5.04 17.82 60.84 7.90 0.27 0.64 0.54 17 N C T 94.73 4.50 14.05 19.56 98.71 37.20 -93.92 4.39 57.97 0.50 41.52 6.08 8.16 43.05 37.87 4.19 0.11 0.20 0.34 18 G C T 43.74 5.28 13.72 20.37 99.05 -109.94 79.57 10.89 95.02 0.83 4.15 28.49 21.06 45.94 1.79 1.94 0.00 0.41 0.37 19 I C C 70.96 10.18 10.78 22.06 114.96 136.09 -88.94 131.67 91.90 4.41 3.69 64.35 20.02 7.22 1.43 2.16 0.00 2.01 2.81 20 K C C 138.18 3.15 15.24 19.70 116.02 -143.08 -92.19 136.78 94.50 3.12 2.38 71.99 18.49 3.84 1.06 1.25 0.00 1.41 1.96 21 K C C 102.08 10.27 11.05 22.04 115.68 -112.53 -82.97 137.23 98.56 0.91 0.53 81.51 16.51 0.64 0.31 0.19 0.00 0.38 0.46 22 P C C 57.19 7.78 11.14 20.73 113.66 -108.49 -65.37 149.66 91.69 1.01 7.30 84.72 3.87 3.58 3.10 3.59 0.00 0.46 0.67 23 R H G 175.50 2.17 12.46 15.93 93.43 -115.66 -61.87 -31.02 48.63 0.80 50.56 18.15 10.39 19.95 13.71 36.95 0.01 0.39 0.46 24 S H G 70.47 4.14 11.13 16.71 96.06 63.56 -75.29 -14.68 41.35 0.83 57.82 14.00 8.25 19.09 16.43 41.39 0.01 0.42 0.40 25 Q H G 94.60 7.41 11.13 19.82 98.36 63.08 -77.49 -0.65 36.22 0.91 62.87 20.73 6.45 9.24 19.35 43.40 0.00 0.50 0.33 26 R C G 129.02 6.44 12.91 20.63 97.16 84.34 -74.89 -17.82 51.49 1.31 47.20 25.31 10.51 15.58 19.41 27.81 0.01 0.61 0.74 27 Y C C 92.34 10.49 11.25 22.45 105.52 57.85 -96.31 84.15 60.30 1.23 38.47 33.16 12.17 15.10 15.32 22.84 0.01 0.53 0.87 28 E H G 124.47 3.67 14.93 20.03 95.51 139.76 -66.98 -31.98 31.42 0.48 68.10 9.46 5.26 16.15 13.66 55.00 0.00 0.27 0.20 29 S H G 66.06 5.65 15.05 21.91 92.82 63.89 -72.55 -16.91 32.96 0.31 66.73 4.68 3.95 22.53 11.52 56.99 0.00 0.17 0.14 30 L H G 37.68 16.63 10.34 26.62 95.68 55.46 -92.16 -1.51 38.77 0.46 60.77 8.41 5.60 23.40 7.93 54.18 0.01 0.25 0.23 31 K C T 135.26 4.37 13.39 20.32 110.41 120.56 -63.33 129.82 94.50 0.37 5.13 3.32 4.53 87.18 1.96 2.48 0.00 0.16 0.37 32 G C T 62.73 1.09 16.74 16.87 95.01 17.90 84.09 -0.84 98.31 0.15 1.54 3.22 6.31 88.92 0.29 1.11 0.00 0.09 0.06 33 V C C 43.49 15.01 8.73 23.62 119.41 120.93 -82.81 144.04 96.63 2.92 0.45 63.70 31.10 0.58 0.24 0.16 0.00 0.53 3.70 34 D C C 67.29 5.82 15.45 22.73 109.66 -106.70 -71.79 129.51 99.78 0.17 0.06 98.95 0.85 0.03 0.03 0.00 0.00 0.04 0.09 35 P H H 79.37 6.25 14.11 22.05 92.36 -133.17 -59.92 -34.19 5.81 0.01 94.18 0.59 0.47 4.61 92.86 1.45 0.01 0.00 0.01 36 K H H 115.29 4.71 17.62 23.05 92.10 56.05 -64.86 -39.66 2.32 0.01 97.68 0.18 0.16 1.88 96.25 1.51 0.00 0.00 0.00 37 F H H 64.49 10.16 16.02 27.20 92.38 49.62 -66.33 -40.61 0.75 0.01 99.24 0.16 0.07 0.45 97.86 1.46 0.00 0.01 0.00 38 L H H 50.70 9.71 16.54 27.51 92.06 51.27 -63.98 -41.54 0.73 0.01 99.26 0.14 0.06 0.45 98.31 1.04 0.00 0.00 0.00 39 R H H 110.51 5.62 20.06 26.18 92.09 50.28 -64.73 -40.69 3.62 0.02 96.37 0.27 0.20 3.08 95.27 1.16 0.01 0.01 0.00 40 N H H 52.12 9.98 18.49 29.21 92.46 49.27 -65.98 -39.25 12.88 0.03 87.09 0.98 0.71 11.05 86.07 1.14 0.02 0.01 0.02 41 M H H 52.64 12.47 17.82 30.77 92.46 54.13 -64.04 -40.57 8.15 0.10 91.74 2.74 1.20 4.34 89.30 2.30 0.02 0.05 0.05 42 R H H 107.88 5.61 21.02 26.88 92.13 52.31 -64.58 -41.23 5.99 0.13 93.88 1.67 0.78 3.61 90.01 3.78 0.02 0.08 0.04 43 F H H 70.81 7.51 19.02 27.65 92.49 49.79 -65.87 -40.69 5.33 0.13 94.54 1.45 0.72 3.21 89.72 4.75 0.03 0.09 0.04 44 A H H 21.35 13.29 14.82 29.25 92.05 53.63 -64.50 -38.78 5.95 0.13 93.91 1.78 0.82 3.33 88.52 5.40 0.02 0.09 0.04 45 K H H 110.86 6.04 18.31 25.11 92.19 53.17 -67.39 -31.62 13.85 0.21 85.94 2.38 1.61 9.50 77.83 8.39 0.07 0.12 0.09 46 K H H 121.90 4.17 18.19 22.75 93.56 56.04 -72.49 -23.00 28.30 0.31 71.40 3.83 3.30 21.14 64.82 6.49 0.10 0.14 0.17 47 H C H 86.20 11.20 13.24 24.52 100.16 54.73 -93.51 10.65 56.26 1.22 42.52 16.50 11.71 29.29 36.67 4.47 0.11 0.46 0.78 48 N C C 67.29 6.26 14.48 21.99 123.17 125.26 -107.74 153.86 83.05 2.79 14.16 63.64 12.92 4.93 13.80 1.71 0.00 0.86 2.13 49 K H H 144.01 3.25 14.04 18.82 91.98 -107.49 -61.79 -35.30 23.39 0.34 76.27 4.92 5.35 14.25 70.98 4.06 0.11 0.14 0.19 50 K H H 139.08 1.35 17.22 17.45 92.35 53.22 -65.82 -38.64 19.88 0.17 79.95 2.63 2.86 14.52 75.59 4.14 0.09 0.08 0.10 51 G H H 14.69 9.02 13.89 25.09 92.36 50.70 -64.96 -40.44 14.34 0.22 85.44 5.56 2.24 7.00 81.08 3.89 0.02 0.11 0.09 52 L H H 48.68 11.69 13.90 26.54 92.14 52.02 -63.96 -41.14 3.24 0.05 96.71 1.45 0.46 1.34 95.67 1.04 0.00 0.02 0.01 53 K H H 125.83 2.19 19.30 21.08 91.75 50.81 -64.88 -40.71 2.11 0.03 97.86 0.75 0.24 1.06 97.11 0.81 0.00 0.02 0.01 54 K H H 116.58 2.69 19.47 21.90 92.08 49.46 -66.03 -40.55 1.94 0.02 98.03 0.67 0.22 0.99 97.41 0.70 0.00 0.01 0.01 55 M H H 51.60 12.64 15.77 28.98 92.49 50.00 -65.32 -41.63 1.58 0.02 98.40 0.57 0.18 0.74 98.14 0.35 0.00 0.01 0.00 56 Q H H 89.05 6.81 18.96 26.47 91.93 50.69 -64.03 -40.59 1.85 0.01 98.14 0.56 0.18 0.97 97.97 0.30 0.00 0.01 0.00 57 A H H 57.01 2.40 20.23 21.77 91.93 50.22 -64.47 -40.88 2.53 0.01 97.46 0.65 0.25 1.44 97.31 0.33 0.00 0.01 0.01 58 N H H 69.01 6.81 19.18 26.57 92.86 48.84 -66.73 -39.65 3.71 0.01 96.28 0.90 0.36 2.13 96.33 0.26 0.00 0.00 0.01 59 N H H 54.39 12.32 17.11 29.68 92.46 52.32 -64.92 -40.12 2.28 0.01 97.72 0.65 0.22 1.09 97.89 0.15 0.00 0.00 0.00 60 A H H 56.31 4.16 20.54 24.73 91.70 51.74 -64.08 -41.10 0.56 0.00 99.44 0.12 0.04 0.29 99.48 0.07 0.00 0.00 0.00 61 K H H 120.07 2.77 22.00 24.37 91.89 49.31 -65.46 -40.87 0.29 0.00 99.71 0.05 0.02 0.16 99.73 0.04 0.00 0.00 0.00 62 A H H 25.63 11.97 17.38 30.28 91.94 50.76 -64.30 -42.05 0.20 0.00 99.80 0.03 0.01 0.11 99.82 0.03 0.00 0.00 0.00 63 M H H 73.66 9.35 20.04 29.73 91.73 50.07 -64.11 -41.01 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 64 A H H 57.20 3.55 22.09 25.32 91.74 50.32 -64.61 -41.16 0.29 0.00 99.70 0.03 0.01 0.17 99.75 0.03 0.00 0.00 0.00 65 A H H 39.34 7.31 20.04 28.14 91.98 50.20 -64.82 -41.31 0.36 0.00 99.64 0.05 0.02 0.22 99.68 0.04 0.00 0.00 0.00 66 R H H 85.71 11.60 19.77 31.30 92.04 51.23 -64.58 -40.98 0.34 0.00 99.66 0.04 0.02 0.20 99.70 0.04 0.00 0.00 0.00 67 A H H 44.36 6.69 19.93 27.29 91.79 50.85 -63.86 -41.25 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 68 E H H 101.65 3.73 21.71 25.17 91.84 49.77 -65.08 -41.11 0.21 0.00 99.79 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 69 A H H 33.00 9.94 17.51 28.26 92.01 50.77 -64.61 -41.21 0.39 0.00 99.61 0.03 0.02 0.27 99.58 0.10 0.00 0.00 0.00 70 I H H 63.18 9.12 17.57 27.56 92.35 49.47 -65.04 -40.82 0.82 0.00 99.18 0.08 0.04 0.59 99.01 0.28 0.00 0.00 0.00 71 K H H 117.80 3.95 18.45 23.13 91.97 51.62 -65.50 -38.57 2.64 0.01 97.35 0.21 0.14 2.14 96.55 0.95 0.00 0.00 0.00 72 A H H 53.05 6.58 15.56 23.07 92.73 53.91 -68.91 -32.85 16.40 0.04 83.55 0.87 0.83 14.68 81.20 2.36 0.02 0.02 0.03 73 L H H 85.61 8.45 14.97 23.78 95.60 48.56 -80.58 -23.07 41.26 0.39 58.35 4.10 4.51 32.11 55.91 2.89 0.08 0.15 0.25 74 V C H 76.70 7.83 13.78 22.61 103.24 53.19 -93.96 13.97 64.87 3.92 31.22 25.72 21.27 19.38 27.11 2.72 0.11 1.34 2.36 75 K C C 132.62 4.42 14.57 20.69 113.04 103.29 -86.50 120.30 97.01 1.84 1.15 66.83 29.01 1.31 0.76 0.39 0.00 0.84 0.85 76 P C C 65.62 10.92 9.43 20.99 113.84 -115.76 -66.99 146.43 93.43 2.17 4.39 87.50 3.40 2.86 1.76 2.17 0.00 1.02 1.28 77 K C C 151.50 2.46 13.44 16.84 108.37 -147.52 -90.38 122.61 91.24 2.20 6.56 42.44 39.84 9.40 1.70 4.43 0.00 1.00 1.19 78 E C C 133.01 2.84 13.04 17.14 114.41 -95.32 -89.76 135.73 86.65 6.27 7.08 45.91 32.23 8.79 1.78 5.06 0.01 3.07 3.14 79 V C C 82.98 8.94 8.44 18.40 114.99 -132.95 -90.25 129.63 89.42 5.81 4.77 70.71 13.90 4.18 1.60 3.25 0.00 2.98 3.38 80 K C C 132.45 3.54 12.00 17.22 116.40 -159.82 -106.97 130.01 95.82 3.06 1.12 80.82 13.12 1.63 0.44 0.65 0.00 1.54 1.79 81 P C C 88.66 5.76 9.78 17.37 108.13 -120.98 -67.35 139.70 96.22 0.97 2.82 42.19 20.84 33.10 0.41 2.57 0.00 0.50 0.39 82 T C C 109.86 1.83 12.55 15.09 108.75 -67.30 -88.30 113.48 95.86 1.82 2.32 35.74 29.74 30.37 0.34 2.14 0.00 0.92 0.75 83 I C S 86.15 8.50 8.58 18.26 115.77 94.53 -97.91 130.74 97.02 2.26 0.72 45.08 50.78 1.33 0.27 0.36 0.00 0.85 1.32 84 P C C 77.04 5.48 9.99 17.40 113.00 -110.08 -66.56 145.87 97.09 1.33 1.58 86.89 6.22 4.02 0.43 1.03 0.00 0.66 0.75 85 K C C 161.67 1.95 10.71 13.79 108.43 -129.10 -84.98 121.23 93.12 2.83 4.05 52.46 28.41 12.12 1.09 2.77 0.00 1.10 2.05 86 G C S 50.43 2.81 10.98 15.15 120.54 16.79 107.01 -165.13 89.99 2.23 7.78 30.36 39.24 20.73 1.86 5.53 0.00 1.00 1.28 87 V C C 110.77 3.29 10.98 15.64 106.20 -50.58 -82.64 75.40 86.54 2.31 11.15 38.10 29.64 19.30 3.75 6.78 0.00 0.98 1.45 88 S C C 55.24 5.96 11.08 18.64 111.54 100.30 -88.41 121.09 84.94 2.87 12.19 58.96 15.91 9.65 6.68 5.47 0.00 1.19 2.14 89 R H H 139.57 5.66 12.89 20.02 95.76 -152.63 -66.76 -30.45 33.63 1.11 65.27 12.37 9.14 13.41 47.11 16.75 0.14 0.51 0.59 90 K H H 123.20 4.36 16.07 21.48 93.22 62.01 -65.63 -36.55 25.04 0.57 74.39 4.69 3.91 15.08 54.98 20.58 0.18 0.33 0.24 91 L H H 59.12 10.45 15.34 26.59 93.92 50.37 -71.00 -33.59 20.99 0.76 78.25 5.92 3.22 11.01 57.03 21.98 0.10 0.50 0.24 92 H H H 67.69 12.88 16.31 29.31 93.39 58.54 -66.94 -35.24 21.92 0.86 77.22 10.60 3.95 8.17 62.78 13.65 0.04 0.52 0.30 93 R H H 99.40 9.92 19.61 29.67 93.66 55.50 -68.45 -34.69 25.45 1.01 73.54 9.99 4.08 11.92 60.35 12.57 0.07 0.67 0.35 94 L H H 68.12 8.79 20.76 29.76 93.38 56.17 -66.33 -39.32 14.55 0.70 84.75 6.68 2.39 6.03 70.18 13.98 0.04 0.50 0.20 95 A H H 26.34 13.38 18.59 32.40 93.03 55.48 -65.31 -37.71 8.04 0.43 91.54 2.97 1.16 3.85 74.97 16.59 0.03 0.36 0.08 96 Y H H 62.64 14.04 18.34 32.40 92.70 52.52 -68.35 -34.32 9.07 0.51 90.42 2.09 1.23 5.51 72.29 18.31 0.06 0.41 0.10 97 I H H 71.61 9.47 19.20 29.12 94.06 52.98 -74.11 -27.91 17.47 1.18 81.35 3.98 2.72 11.11 67.36 13.38 0.26 0.81 0.37 98 A H H 49.82 9.27 17.48 27.36 93.99 58.26 -79.77 -18.49 41.90 2.70 55.40 9.78 10.82 23.68 44.88 7.60 0.53 1.33 1.38 99 H C S 57.45 12.32 11.91 25.33 112.92 91.18 -90.89 120.88 94.85 1.93 3.22 43.17 49.26 2.26 2.79 0.60 0.00 0.56 1.37 100 P C T 94.24 3.52 14.99 19.89 92.80 -142.07 -61.31 -32.40 59.10 0.43 40.47 6.18 7.42 43.87 29.96 11.97 0.05 0.21 0.35 101 K C T 130.53 2.99 16.46 20.12 93.47 55.83 -71.25 -25.78 54.34 0.40 45.26 4.50 5.90 42.07 35.12 11.83 0.07 0.19 0.32 102 L H H 40.23 14.24 12.75 27.25 94.06 58.28 -69.07 -34.76 43.15 0.86 55.99 8.35 7.89 26.56 42.77 13.28 0.21 0.40 0.54 103 G H H 24.76 11.65 14.62 26.95 93.23 55.15 -60.57 -37.53 37.88 1.06 61.06 15.90 6.43 16.44 48.97 11.15 0.07 0.56 0.48 104 R H H 145.64 3.14 19.27 22.70 93.27 54.12 -69.30 -35.67 31.73 1.71 66.57 12.05 6.39 14.37 53.72 11.65 0.15 1.03 0.63 105 R H H 113.74 7.25 18.63 26.30 95.64 49.11 -80.04 -24.55 31.26 2.59 66.15 15.40 5.28 11.79 54.06 10.84 0.10 1.70 0.83 106 A H H 22.86 15.59 14.53 30.33 94.32 69.79 -65.33 -37.53 25.08 1.96 72.95 16.69 4.09 5.97 64.40 7.04 0.02 1.25 0.54 107 R H H 114.33 7.87 20.03 28.20 94.90 54.82 -70.44 -34.48 21.66 1.59 76.76 13.68 3.29 6.09 68.90 6.54 0.02 1.09 0.39 108 A H H 42.54 7.18 17.00 25.51 93.67 64.25 -64.85 -40.28 15.61 1.11 83.28 9.30 2.84 4.84 74.79 7.15 0.03 0.79 0.25 109 R H H 106.97 6.04 18.37 25.15 92.95 51.48 -66.86 -40.25 14.85 1.34 83.81 8.06 2.66 5.42 74.91 7.60 0.05 1.01 0.29 110 I H H 64.82 8.43 15.84 25.49 92.92 49.92 -66.48 -40.43 15.63 1.39 82.98 7.79 2.89 6.27 74.08 7.54 0.07 1.03 0.33 111 A H H 46.76 6.77 13.67 22.08 92.79 52.16 -66.77 -37.07 22.17 1.09 76.74 9.01 4.10 10.38 66.64 8.71 0.10 0.66 0.39 112 R H H 149.81 2.86 14.05 17.86 94.46 53.85 -69.94 -30.44 43.27 0.72 56.01 5.21 5.32 31.30 45.64 11.49 0.22 0.38 0.43 113 G C T 46.37 4.33 12.37 17.99 97.64 49.22 -69.62 -16.68 61.08 0.62 38.30 9.88 6.71 43.69 30.49 8.49 0.04 0.30 0.40 114 L C C 100.13 6.02 9.51 17.00 101.65 71.47 -81.33 1.11 78.21 1.29 20.50 59.67 2.77 16.50 15.21 4.36 0.00 0.62 0.87 115 R C C 158.84 3.50 12.42 17.50 106.25 117.89 -83.23 85.48 99.83 0.10 0.07 99.61 0.15 0.12 0.03 0.01 0.00 0.05 0.02