# 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 T C C 81.48 6.41 14.97 22.67 118.49 -162.31 -106.57 135.10 99.00 0.98 0.02 99.14 0.11 0.03 0.01 0.00 0.00 0.65 0.06 1 V C C 79.08 8.65 11.14 21.08 116.92 -152.29 -99.94 128.85 69.87 28.16 1.97 67.98 0.99 0.88 1.22 0.54 0.00 25.25 3.14 2 V C C 92.54 5.22 12.25 19.17 115.25 -157.41 -98.77 127.93 60.67 36.59 2.74 52.33 4.96 2.10 1.65 1.11 0.00 34.71 3.15 3 L C C 95.54 7.20 11.38 20.05 114.71 -146.36 -95.88 129.61 67.86 29.72 2.42 54.52 10.34 2.39 1.40 1.13 0.00 26.81 3.40 4 A C C 56.17 7.20 11.60 20.38 118.06 -133.19 -92.98 139.57 85.11 12.98 1.91 65.47 17.28 2.35 0.93 0.98 0.00 11.28 1.69 5 P C C 77.21 7.15 11.89 20.46 111.45 -107.53 -67.15 147.64 85.41 4.97 9.61 58.59 13.62 13.44 4.29 5.11 0.00 3.79 1.15 6 S C C 68.42 5.38 11.54 18.38 110.03 -127.83 -84.21 136.36 81.00 4.26 14.74 50.77 14.78 15.51 7.31 7.46 0.01 2.54 1.63 7 K C C 140.49 3.34 12.81 17.44 100.34 -124.74 -78.15 -10.05 69.84 4.93 25.23 36.53 18.59 15.47 15.02 9.74 0.04 2.76 1.85 8 Y C C 114.69 7.87 10.42 19.38 105.14 78.55 -85.31 33.49 60.66 5.05 34.29 31.58 15.30 14.72 22.48 11.13 0.08 2.89 1.82 9 D C C 82.98 6.53 12.21 19.98 102.55 94.66 -80.38 7.07 57.97 4.16 37.87 34.55 10.60 12.88 24.37 13.59 0.04 2.60 1.37 10 S C C 67.69 4.90 12.12 18.41 100.93 81.24 -78.75 -11.23 50.50 5.69 43.81 25.39 10.13 15.69 25.15 18.23 0.09 3.93 1.38 11 Q C H 112.58 4.78 12.66 18.77 98.80 67.78 -79.53 -14.26 47.86 10.49 41.65 23.05 10.50 15.68 23.50 17.29 0.19 7.80 1.99 12 L C C 77.42 9.99 10.41 21.25 105.24 78.41 -84.46 62.29 53.61 15.93 30.46 31.23 11.32 12.16 17.07 13.04 0.15 12.41 2.62 13 K C C 142.17 3.40 14.84 19.46 107.67 69.22 -88.27 96.40 62.79 20.50 16.71 39.73 13.40 10.14 10.49 6.36 0.09 16.28 3.51 14 I C C 70.03 10.67 10.64 22.37 116.18 103.54 -98.97 127.21 78.63 18.26 3.11 53.69 22.92 2.41 2.05 1.12 0.01 15.53 2.27 15 P C C 86.61 4.40 15.64 21.21 111.83 -115.93 -70.00 140.28 79.30 17.62 3.08 71.66 4.61 2.40 1.81 1.24 0.00 15.74 2.54 16 L C C 78.45 11.80 9.80 21.89 115.54 -144.80 -94.59 132.29 86.48 10.13 3.39 68.61 14.54 2.83 1.97 1.51 0.00 5.83 4.70 17 K C C 130.57 3.68 14.08 19.23 116.38 -136.93 -95.21 133.34 93.98 3.46 2.56 74.43 17.49 2.12 1.60 0.93 0.00 2.09 1.34 18 P C C 82.06 6.93 10.80 19.33 107.35 -111.53 -66.04 135.13 81.49 2.19 16.32 56.26 11.06 14.01 10.33 6.12 0.00 1.31 0.91 19 T C C 84.37 4.35 12.02 17.74 110.99 127.56 -94.96 129.79 75.86 2.48 21.66 47.64 13.25 14.75 15.05 6.82 0.01 1.29 1.19 20 E C C 114.90 4.65 12.82 18.68 101.39 -26.60 -75.93 -21.37 57.60 2.46 39.93 33.49 14.42 10.74 31.45 7.61 0.03 1.25 1.01 21 M H H 99.69 6.70 11.71 19.68 97.81 61.99 -71.70 -31.03 43.83 1.45 54.72 26.92 9.31 8.94 46.93 6.58 0.02 0.78 0.53 22 D H H 87.55 3.03 15.32 18.87 95.69 58.55 -69.72 -34.88 37.66 1.18 61.17 25.74 5.81 7.27 54.61 5.51 0.01 0.66 0.39 23 E H H 80.58 7.32 15.12 23.68 94.33 54.39 -68.29 -36.84 25.59 1.08 73.33 16.96 4.25 6.22 66.93 4.65 0.02 0.67 0.30 24 F H H 52.03 14.11 12.91 27.23 93.57 54.56 -66.90 -39.11 12.55 0.64 86.81 8.45 2.20 3.56 81.39 3.79 0.01 0.45 0.14 25 E H H 104.31 3.77 17.84 22.12 92.76 54.07 -65.18 -39.71 6.49 0.35 93.16 3.54 1.11 2.59 88.63 3.78 0.01 0.27 0.07 26 E H H 103.61 3.11 18.40 21.53 92.62 51.11 -66.17 -39.27 6.67 0.38 92.95 2.93 1.06 3.23 87.88 4.48 0.02 0.31 0.08 27 L H H 35.73 14.24 14.10 28.84 93.27 50.47 -66.71 -39.27 7.64 0.33 92.04 3.01 1.22 3.89 86.34 5.19 0.03 0.24 0.08 28 R H H 101.41 11.07 15.49 26.84 92.31 55.75 -65.76 -35.69 13.32 0.46 86.23 4.21 1.88 7.55 78.34 7.51 0.06 0.32 0.14 29 S H H 75.27 2.30 18.07 20.08 93.63 55.20 -71.26 -26.76 28.53 0.47 71.00 4.45 2.82 20.78 64.19 7.17 0.10 0.30 0.19 30 F H H 106.54 7.14 16.34 24.24 98.05 50.81 -85.60 -19.25 36.68 1.39 61.93 9.15 5.88 22.50 54.49 6.39 0.16 0.89 0.53 31 V C H 42.62 15.19 12.18 27.15 111.40 69.75 -93.54 121.55 47.63 5.49 46.87 26.04 11.50 11.34 42.52 3.59 0.10 3.36 1.54 32 D C C 84.67 5.66 17.41 23.85 106.03 -141.71 -81.53 97.78 58.67 4.92 36.40 41.20 5.75 9.98 35.22 3.22 0.01 3.63 1.00 33 I C H 77.08 9.48 14.48 24.74 100.41 160.08 -78.30 -20.47 48.68 5.73 45.59 32.54 7.67 8.59 41.52 4.34 0.04 4.18 1.13 34 S C H 56.41 5.12 18.03 23.73 97.75 64.15 -74.52 -28.48 51.16 5.27 43.57 35.80 6.17 8.51 40.79 3.74 0.02 4.01 0.95 35 I H H 46.01 14.28 14.10 28.44 95.01 65.29 -69.26 -38.76 33.76 3.74 62.51 21.84 7.15 6.69 56.67 4.20 0.05 2.64 0.77 36 E H H 95.34 8.33 17.28 26.21 93.29 55.34 -64.78 -40.65 19.58 1.88 78.53 11.28 3.69 6.23 71.44 5.45 0.05 1.46 0.40 37 K H H 123.32 2.38 20.41 22.01 93.33 48.85 -67.78 -39.91 18.93 1.48 79.59 8.98 3.28 7.82 72.46 5.90 0.06 1.13 0.36 38 E H H 67.29 9.14 18.80 28.73 93.01 49.03 -67.73 -39.97 17.32 0.92 81.76 9.07 2.67 6.73 76.55 4.06 0.03 0.63 0.26 39 A H H 13.92 17.66 15.14 33.01 92.17 52.82 -63.71 -41.72 6.49 0.18 93.32 3.73 1.01 2.15 91.62 1.33 0.00 0.11 0.05 40 D H H 73.80 5.69 21.02 27.11 92.06 51.58 -64.51 -40.70 3.71 0.21 96.09 1.91 0.54 1.53 94.70 1.13 0.01 0.15 0.05 41 Y H H 114.94 3.29 22.14 24.83 92.05 49.80 -65.11 -42.03 2.73 0.24 97.03 1.27 0.42 1.32 95.58 1.16 0.02 0.18 0.05 42 V H H 24.49 14.13 18.10 33.11 92.15 49.02 -64.80 -42.91 2.40 0.25 97.35 1.08 0.38 1.21 96.07 1.01 0.02 0.18 0.04 43 M H H 42.76 16.02 17.25 33.07 92.10 50.56 -63.79 -41.56 3.16 0.14 96.70 0.94 0.42 1.97 95.40 1.11 0.03 0.09 0.04 44 N H H 94.25 3.51 21.07 24.58 92.23 49.87 -65.99 -39.89 8.18 0.12 91.70 0.88 0.73 6.70 90.04 1.46 0.08 0.06 0.05 45 K H H 109.90 4.13 20.66 24.87 95.18 43.35 -72.22 -40.09 19.02 0.18 80.80 1.21 1.58 16.57 78.28 2.00 0.18 0.08 0.11 46 F H H 38.87 15.17 17.15 32.52 97.76 40.11 -79.72 -42.02 27.49 0.79 71.72 3.15 4.12 21.31 66.55 3.34 0.69 0.37 0.46 47 V H H 38.99 13.48 17.05 30.92 92.88 47.90 -65.41 -40.92 20.84 0.98 78.18 3.36 3.06 14.49 65.47 11.89 0.70 0.59 0.43 48 G H H 35.20 4.69 18.34 23.81 92.45 53.32 -65.23 -35.79 19.73 0.59 79.68 3.49 2.50 12.93 63.12 17.12 0.23 0.37 0.23 49 R H H 122.33 5.35 18.40 24.34 94.18 50.65 -73.46 -31.01 22.30 1.11 76.60 5.23 3.36 13.19 59.89 16.96 0.25 0.75 0.36 50 L H H 55.87 12.99 14.60 27.73 97.50 49.67 -82.13 -25.03 31.03 3.41 65.56 9.30 6.10 16.78 52.11 11.71 0.59 2.27 1.13 51 I C H 72.50 10.09 12.49 23.46 110.09 57.90 -94.76 100.08 55.59 8.29 36.13 29.05 13.65 14.42 30.72 4.40 0.24 4.67 2.86 52 K C C 143.54 2.70 13.28 17.24 110.39 87.47 -85.51 119.95 72.60 5.53 21.87 32.36 14.44 25.23 19.49 3.44 0.06 3.37 1.61 53 G C T 54.58 2.45 12.62 16.06 108.75 0.86 85.54 4.65 77.25 1.81 20.94 22.03 23.56 32.02 16.16 4.46 0.04 0.91 0.82 54 G C H 51.13 2.67 13.44 17.06 109.22 1.99 62.35 -121.22 57.80 1.35 40.85 16.35 20.39 22.63 32.35 6.89 0.10 0.63 0.67 55 E H H 129.38 3.68 14.03 18.84 98.68 5.15 -72.55 -27.13 40.21 2.61 57.18 18.67 10.00 13.93 48.46 6.40 0.12 1.58 0.84 56 K H H 98.16 9.30 14.01 23.89 97.30 62.76 -71.49 -29.06 28.31 2.35 69.34 19.21 4.45 6.41 63.47 4.24 0.02 1.62 0.57 57 A H H 48.13 6.66 16.09 24.06 94.59 73.64 -65.72 -39.58 13.83 0.90 85.27 9.76 1.93 3.22 82.43 1.85 0.01 0.62 0.18 58 T H H 67.67 4.54 20.40 25.07 93.18 52.26 -65.99 -40.63 6.23 0.42 93.35 3.96 0.83 1.87 91.97 0.99 0.00 0.28 0.09 59 A H H 23.00 12.75 17.41 31.18 92.52 51.90 -64.37 -41.77 1.79 0.06 98.15 0.93 0.20 0.66 97.74 0.42 0.00 0.03 0.01 60 Q H H 58.83 12.59 19.15 31.82 92.17 51.91 -64.68 -41.22 0.76 0.01 99.22 0.31 0.08 0.32 99.11 0.17 0.00 0.01 0.00 61 Q H H 89.30 5.20 22.60 27.77 92.12 51.07 -64.45 -41.10 0.43 0.01 99.57 0.14 0.03 0.20 99.54 0.08 0.00 0.00 0.00 62 V H H 52.33 8.30 21.65 30.58 91.99 50.09 -64.24 -42.90 0.26 0.00 99.74 0.07 0.02 0.13 99.75 0.04 0.00 0.00 0.00 63 L H H 31.74 16.45 19.35 35.56 92.42 50.03 -64.40 -42.42 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.02 0.00 0.00 0.00 64 L H H 61.16 10.24 21.16 31.71 91.84 50.57 -63.51 -41.99 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 65 R H H 120.26 4.49 23.52 27.93 91.91 49.98 -64.45 -41.67 0.22 0.00 99.78 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 66 T H H 32.53 12.69 20.37 33.50 92.11 49.52 -64.92 -42.17 0.46 0.00 99.53 0.04 0.02 0.33 99.56 0.04 0.00 0.00 0.00 67 L H H 36.98 14.71 19.70 34.52 91.70 50.07 -64.13 -42.02 0.54 0.00 99.46 0.06 0.04 0.36 99.47 0.06 0.00 0.00 0.00 68 L H H 72.30 5.58 22.41 28.09 91.58 50.03 -63.95 -42.17 0.58 0.00 99.42 0.08 0.04 0.39 99.40 0.10 0.00 0.00 0.00 69 H H H 77.75 7.03 21.84 29.33 91.86 49.50 -65.09 -41.68 1.16 0.00 98.84 0.13 0.08 0.84 98.78 0.16 0.00 0.00 0.00 70 T H H 22.87 15.43 17.71 33.58 92.35 50.33 -64.37 -41.88 1.33 0.01 98.66 0.22 0.12 0.87 98.59 0.19 0.00 0.00 0.00 71 R H H 97.59 8.05 20.31 28.82 91.94 51.02 -63.89 -41.43 0.97 0.01 99.02 0.21 0.09 0.56 98.90 0.22 0.00 0.00 0.00 72 R H H 115.20 3.35 20.64 23.61 92.06 50.33 -64.73 -41.46 1.17 0.02 98.81 0.20 0.10 0.78 98.51 0.39 0.00 0.01 0.00 73 L H H 37.36 9.76 15.38 26.98 92.17 50.22 -64.84 -41.59 1.82 0.03 98.15 0.35 0.17 1.21 97.51 0.72 0.00 0.02 0.00 74 M H H 66.09 10.68 13.90 25.48 92.32 50.80 -64.69 -40.28 4.42 0.06 95.51 0.81 0.43 3.08 94.27 1.34 0.01 0.04 0.02 75 Q H H 127.24 2.11 15.50 18.00 92.10 51.79 -66.93 -32.77 12.72 0.07 87.21 1.06 0.88 10.58 86.08 1.31 0.03 0.04 0.03 76 E C T 120.88 2.84 14.18 17.64 95.03 51.52 -84.65 -6.31 56.51 0.16 43.32 1.95 3.50 49.07 43.55 1.72 0.04 0.06 0.11 77 G C T 48.04 5.02 13.59 20.03 98.06 -106.74 79.45 9.49 92.19 0.41 7.40 10.77 12.10 69.11 6.25 1.38 0.00 0.20 0.20 78 N C C 82.71 5.77 14.51 21.65 101.62 121.18 -91.20 29.35 86.28 2.76 10.96 66.89 10.40 8.78 7.12 4.03 0.00 1.60 1.18 79 I C C 52.57 15.54 9.94 24.79 105.33 113.00 -88.53 46.76 61.04 7.86 31.10 42.09 9.45 9.54 13.85 17.48 0.03 5.52 2.05 80 T C C 89.52 3.91 14.73 19.83 102.87 100.66 -86.43 -14.26 54.69 10.27 35.05 30.98 10.82 14.52 12.25 21.57 0.06 8.03 1.77 81 S C C 74.67 4.09 12.68 18.11 103.60 61.78 -85.23 12.63 52.84 11.37 35.79 29.27 10.38 15.69 10.17 23.66 0.10 8.82 1.91 82 L C C 87.37 9.22 8.50 18.43 107.69 88.26 -88.06 92.60 72.86 6.72 20.42 61.04 3.25 10.17 8.36 10.26 0.00 5.07 1.85 83 K C C 144.92 3.15 13.32 18.07 111.38 -155.69 -89.80 120.36 99.84 0.11 0.05 99.66 0.12 0.10 0.03 0.00 0.00 0.06 0.01