# 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 M C C 94.03 10.42 14.55 25.45 114.44 -160.98 -91.96 130.83 99.81 0.12 0.07 99.69 0.11 0.07 0.04 0.00 0.00 0.06 0.02 1 A C C 50.04 9.77 14.03 24.72 115.90 -141.20 -89.16 144.49 89.85 1.52 8.64 85.39 1.50 2.52 8.60 0.61 0.00 0.64 0.74 2 S C C 46.27 7.79 17.57 26.16 119.23 -121.80 -82.04 161.98 74.70 1.56 23.74 54.70 13.80 3.71 25.43 1.06 0.00 0.50 0.79 3 T H H 39.19 16.08 16.98 32.81 93.33 -104.31 -61.98 -37.00 7.99 0.08 91.94 3.14 1.67 3.02 91.21 0.90 0.00 0.03 0.04 4 R H H 63.73 17.26 19.14 35.32 91.76 53.66 -63.41 -41.12 3.55 0.04 96.41 1.18 0.52 1.79 95.60 0.87 0.00 0.02 0.01 5 C H H 34.09 10.65 20.94 32.47 92.08 50.52 -64.60 -41.07 1.84 0.02 98.14 0.73 0.24 0.85 97.26 0.89 0.00 0.01 0.01 6 K H H 68.78 9.83 23.34 33.56 91.71 50.86 -63.92 -41.87 1.08 0.01 98.91 0.35 0.11 0.55 98.41 0.57 0.00 0.00 0.00 7 L H H 8.66 22.53 20.50 42.66 91.70 50.28 -64.14 -42.98 1.14 0.01 98.85 0.26 0.10 0.71 98.45 0.47 0.00 0.00 0.00 8 A H H 14.38 17.09 20.56 37.79 91.20 51.30 -63.27 -41.63 0.62 0.00 99.37 0.13 0.05 0.37 99.17 0.27 0.00 0.00 0.00 9 R H H 117.84 4.49 24.97 29.45 91.69 50.79 -63.83 -41.97 0.49 0.00 99.51 0.07 0.03 0.34 98.92 0.63 0.00 0.00 0.00 10 Y H H 38.85 14.60 20.80 35.70 91.81 49.38 -64.38 -42.76 0.58 0.00 99.42 0.05 0.03 0.43 98.55 0.93 0.00 0.00 0.00 11 L H H 7.15 24.24 16.12 40.33 91.41 50.81 -65.73 -36.61 1.16 0.00 98.83 0.08 0.07 0.93 96.61 2.32 0.00 0.00 0.00 12 E H H 97.70 9.16 19.94 29.53 91.34 58.19 -67.65 -25.88 15.98 0.01 84.01 0.22 0.35 16.17 80.83 2.41 0.01 0.00 0.00 13 D C T 93.87 3.72 21.05 24.87 94.80 51.49 -90.80 -4.63 57.34 0.02 42.64 1.02 1.47 54.39 40.77 2.32 0.00 0.00 0.02 14 L C C 17.71 22.23 7.96 28.73 117.64 107.13 -76.70 142.65 98.35 0.61 1.05 71.05 26.34 0.67 0.97 0.14 0.00 0.12 0.72 15 E C C 109.39 2.19 20.33 21.35 121.12 -129.31 -83.65 161.81 98.59 0.47 0.94 98.07 0.46 0.15 0.83 0.04 0.00 0.09 0.36 16 D H H 100.39 5.25 13.95 21.10 91.91 -100.94 -58.09 -40.06 2.29 0.00 97.71 0.34 0.31 1.50 96.91 0.93 0.00 0.00 0.00 17 V H H 91.77 1.88 18.41 19.37 91.93 51.45 -64.64 -40.77 1.22 0.00 98.78 0.10 0.09 0.95 97.53 1.33 0.00 0.00 0.00 18 D H H 39.01 11.65 16.46 29.14 92.11 49.35 -65.62 -40.15 0.63 0.00 99.37 0.08 0.04 0.44 97.97 1.47 0.00 0.00 0.00 19 L H H 14.44 19.65 14.13 34.01 91.31 51.16 -63.12 -41.88 0.48 0.00 99.52 0.06 0.03 0.32 98.93 0.66 0.00 0.00 0.00 20 K H H 113.88 3.45 22.09 25.56 91.41 51.20 -63.84 -40.86 0.89 0.00 99.11 0.07 0.03 0.68 98.75 0.47 0.00 0.00 0.00 21 K H H 98.09 4.62 22.31 27.00 91.45 50.21 -64.33 -41.54 1.17 0.00 98.83 0.07 0.05 0.93 98.13 0.82 0.00 0.00 0.00 22 F H H 10.68 21.78 17.16 39.10 91.39 49.84 -64.23 -42.40 0.83 0.00 99.17 0.10 0.04 0.56 97.91 1.39 0.00 0.00 0.00 23 K H H 62.10 14.97 19.95 34.35 91.51 52.16 -62.18 -41.26 0.71 0.00 99.29 0.06 0.03 0.52 97.44 1.95 0.00 0.00 0.00 24 M H H 93.98 2.61 23.57 25.01 91.51 50.85 -63.53 -41.85 1.03 0.00 98.97 0.06 0.04 0.83 96.48 2.59 0.00 0.00 0.00 25 H H H 49.21 10.69 19.91 31.67 91.85 49.92 -64.68 -40.95 2.63 0.00 97.36 0.18 0.16 2.09 94.52 3.04 0.00 0.00 0.00 26 L H H 7.52 23.76 13.67 37.52 91.35 51.97 -66.24 -34.75 5.42 0.02 94.56 0.45 0.36 4.00 87.51 7.64 0.01 0.01 0.01 27 E H H 103.91 8.41 18.41 27.51 91.34 57.53 -68.68 -23.79 23.86 0.04 76.10 0.95 1.24 21.09 70.04 6.62 0.02 0.02 0.03 28 D C T 107.39 1.99 19.87 21.25 95.09 51.12 -89.27 -5.63 58.03 0.11 41.86 4.86 5.15 46.43 36.47 6.92 0.02 0.04 0.12 29 Y C S 61.32 15.67 10.94 26.62 117.26 93.03 -90.18 131.24 99.37 0.26 0.37 30.53 68.37 0.51 0.25 0.06 0.00 0.06 0.22 30 P C C 73.60 4.83 17.85 23.48 115.50 -112.74 -67.61 148.80 99.12 0.53 0.35 95.79 2.74 0.60 0.14 0.13 0.00 0.17 0.43 31 P C C 66.73 13.39 11.25 24.47 109.76 -108.34 -69.65 142.49 96.74 1.41 1.85 81.24 10.92 4.26 0.63 1.15 0.00 0.55 1.24 32 Q C C 98.25 6.18 12.80 20.50 122.35 -129.51 -103.50 148.13 84.09 12.63 3.28 47.15 27.15 7.01 1.15 1.74 0.01 2.46 13.32 33 K C T 173.39 1.02 13.27 14.33 108.39 -77.71 -62.04 128.04 96.56 0.67 2.77 2.63 9.16 84.65 0.34 2.38 0.00 0.34 0.50 34 G C T 63.80 0.96 13.95 14.37 96.85 13.93 84.64 -1.42 98.27 0.24 1.50 3.70 9.02 85.38 0.13 1.51 0.00 0.15 0.10 35 C C C 36.63 14.76 8.37 22.91 124.65 108.08 -101.51 149.59 86.77 12.49 0.74 63.02 20.49 1.50 0.26 0.48 0.00 3.39 10.86 36 I C C 98.46 4.50 19.38 24.62 118.34 -128.52 -93.09 136.14 95.11 4.77 0.11 88.82 6.22 0.38 0.04 0.07 0.00 2.89 1.58 37 P C C 70.78 11.62 17.60 29.30 115.19 -107.43 -67.70 146.28 95.18 4.70 0.12 82.59 12.42 0.48 0.04 0.07 0.00 2.17 2.22 38 L C C 14.10 22.39 11.96 34.40 112.66 -115.64 -84.12 127.10 96.76 3.15 0.10 87.95 8.87 0.17 0.05 0.04 0.00 1.22 1.69 39 P C C 63.04 4.81 22.27 27.15 112.54 -113.45 -66.67 142.41 97.30 2.17 0.52 96.32 1.00 0.29 0.31 0.09 0.00 0.73 1.26 40 R H H 110.13 13.95 13.00 26.62 92.90 -119.66 -58.86 -37.64 22.52 0.21 77.27 3.72 3.62 14.45 58.70 19.14 0.11 0.09 0.17 41 G H H 44.82 2.80 18.64 21.23 92.23 55.35 -63.94 -34.62 17.95 0.10 81.95 1.82 2.01 12.64 60.39 22.97 0.05 0.05 0.07 42 Q H H 84.86 7.26 18.38 26.36 92.80 54.44 -71.48 -30.03 11.35 0.08 88.57 2.32 1.48 6.62 65.86 23.62 0.02 0.04 0.04 43 T H H 5.68 24.52 10.66 34.52 93.14 55.97 -72.05 -27.08 16.16 0.16 83.68 3.60 2.28 9.26 63.41 21.26 0.03 0.08 0.10 44 E C T 108.43 8.77 17.28 26.87 92.07 70.31 -65.37 -26.48 51.36 0.10 48.53 1.89 2.69 45.87 37.88 11.47 0.04 0.05 0.11 45 K C T 162.79 0.98 20.13 19.05 95.00 49.55 -91.53 -3.79 68.22 0.10 31.69 2.26 3.68 62.31 21.18 10.40 0.01 0.04 0.11 46 A C C 18.16 18.66 9.31 27.43 121.10 108.87 -77.54 152.00 98.88 0.53 0.58 50.23 48.03 0.53 0.45 0.10 0.00 0.10 0.57 47 D C C 75.99 3.45 23.88 26.54 122.51 -121.14 -81.37 164.49 99.12 0.67 0.21 97.86 1.19 0.06 0.19 0.01 0.00 0.11 0.58 48 H H H 56.04 19.76 16.24 34.94 91.56 -99.53 -58.98 -39.10 1.00 0.00 99.00 0.09 0.10 0.70 98.97 0.14 0.00 0.00 0.00 49 V H H 58.14 12.76 21.87 34.18 91.75 51.96 -64.20 -41.19 0.47 0.00 99.53 0.03 0.03 0.36 99.43 0.15 0.00 0.00 0.00 50 D H H 62.36 6.95 25.78 33.17 91.70 49.23 -65.59 -40.70 0.19 0.00 99.81 0.02 0.01 0.12 99.71 0.14 0.00 0.00 0.00 51 L H H 5.98 22.91 21.52 44.19 91.55 50.03 -63.80 -43.59 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 52 A H H 2.98 23.88 21.55 45.37 91.03 50.30 -62.93 -43.22 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 53 T H H 57.40 7.99 27.47 36.14 91.68 50.19 -63.98 -42.06 0.11 0.00 99.89 0.00 0.00 0.09 99.87 0.03 0.00 0.00 0.00 54 L H H 23.01 13.20 24.44 38.38 91.50 50.12 -63.95 -42.77 0.19 0.00 99.81 0.01 0.00 0.16 99.77 0.05 0.00 0.00 0.00 55 M H H 3.77 24.82 19.49 44.45 91.76 50.19 -63.77 -42.91 0.69 0.00 99.30 0.06 0.05 0.52 99.25 0.12 0.00 0.00 0.00 56 I H H 32.60 16.58 19.08 35.41 92.20 48.34 -65.10 -41.75 1.27 0.01 98.72 0.21 0.16 0.82 98.62 0.18 0.00 0.00 0.01 57 D H H 102.19 2.55 22.61 25.11 92.59 48.06 -67.29 -39.23 2.04 0.00 97.96 0.15 0.15 1.66 97.78 0.26 0.00 0.00 0.00 58 F H H 77.15 12.04 18.31 30.40 98.62 37.86 -82.19 -39.03 4.86 0.00 95.14 0.11 0.30 4.47 94.85 0.26 0.01 0.00 0.00 59 N H H 43.97 14.56 14.78 29.52 101.50 23.65 -107.76 -11.34 14.27 0.07 85.67 0.98 3.52 9.80 85.31 0.28 0.03 0.01 0.05 60 G C C 24.59 4.30 21.05 26.36 126.49 -113.25 94.71 165.87 91.93 0.31 7.77 87.09 2.42 1.65 8.14 0.40 0.00 0.08 0.23 61 E H H 86.28 15.34 14.67 29.28 91.77 -84.01 -60.57 -39.26 2.45 0.01 97.54 0.36 0.41 1.52 97.06 0.64 0.00 0.00 0.00 62 E H H 124.26 3.82 21.88 26.55 91.83 51.26 -64.14 -40.91 1.35 0.00 98.65 0.09 0.09 1.07 97.95 0.80 0.00 0.00 0.00 63 K H H 81.85 9.49 22.40 31.89 92.37 47.14 -67.27 -39.02 0.76 0.00 99.24 0.08 0.04 0.56 98.47 0.85 0.00 0.00 0.00 64 A H H 2.62 24.11 17.49 42.01 91.57 51.22 -63.20 -43.66 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.06 0.00 0.00 0.00 65 W H H 35.89 19.26 23.77 41.95 91.77 50.47 -63.81 -42.07 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 66 A H H 39.69 7.82 27.91 36.93 91.54 51.23 -63.45 -42.21 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 67 M H H 13.58 19.16 25.00 43.83 91.45 49.70 -64.46 -42.63 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 68 A H H 1.12 26.62 23.43 50.04 91.37 50.75 -63.47 -43.04 0.06 0.00 99.94 0.00 0.00 0.05 99.95 0.01 0.00 0.00 0.00 69 V H H 28.58 16.40 25.49 41.31 91.75 50.27 -64.28 -42.37 0.10 0.00 99.90 0.00 0.00 0.08 99.91 0.01 0.00 0.00 0.00 70 W H H 98.24 8.84 27.55 37.19 91.92 49.97 -64.80 -42.09 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 71 I H H 5.42 22.53 22.33 44.66 91.32 49.36 -63.91 -44.00 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 72 F H H 9.83 21.95 19.99 41.86 91.30 49.42 -63.96 -42.31 0.19 0.00 99.81 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 73 A H H 43.62 8.18 21.32 30.18 91.81 51.18 -64.15 -40.74 1.16 0.00 98.84 0.04 0.03 1.02 98.70 0.21 0.00 0.00 0.00 74 A H H 45.00 10.28 19.47 30.43 90.53 54.76 -66.07 -30.55 8.27 0.00 91.73 0.10 0.18 8.47 90.95 0.30 0.00 0.00 0.00 75 I C T 27.13 17.43 15.05 33.00 95.41 48.80 -93.40 5.36 89.20 0.02 10.78 0.31 1.74 86.48 11.04 0.41 0.00 0.00 0.02 76 N C T 119.80 2.84 20.64 23.94 94.11 -114.63 60.52 34.92 99.52 0.01 0.47 0.97 1.66 97.00 0.31 0.05 0.00 0.00 0.00 77 R C C 52.35 15.09 12.78 28.44 104.60 133.19 -110.92 55.83 99.05 0.29 0.67 98.32 0.55 0.40 0.38 0.08 0.00 0.07 0.20 78 R H H 122.25 7.59 15.78 25.15 94.41 151.66 -64.76 -37.38 4.66 0.01 95.33 2.41 0.52 1.60 94.61 0.85 0.00 0.00 0.00 79 D H H 96.51 1.99 22.01 22.87 91.89 54.68 -64.42 -38.77 1.77 0.00 98.23 0.25 0.14 1.19 97.29 1.13 0.00 0.00 0.00 80 L H H 22.34 15.44 17.53 33.59 92.18 50.15 -65.94 -41.53 0.57 0.00 99.43 0.09 0.04 0.35 98.49 1.03 0.00 0.00 0.00 81 Y H H 25.69 18.65 15.37 34.09 91.58 51.64 -62.74 -42.68 0.30 0.00 99.70 0.05 0.02 0.16 99.33 0.44 0.00 0.00 0.00 82 E H H 98.96 2.69 22.95 24.57 91.47 50.45 -63.76 -41.69 0.59 0.00 99.41 0.07 0.03 0.40 99.12 0.38 0.00 0.00 0.00 83 K H H 93.02 4.54 21.02 25.81 91.88 49.79 -65.17 -41.46 1.60 0.00 98.40 0.15 0.10 1.19 97.95 0.60 0.00 0.00 0.00 84 A H H 7.27 20.33 13.23 33.79 92.28 51.50 -64.79 -39.83 4.62 0.01 95.38 0.50 0.34 3.42 94.36 1.37 0.00 0.00 0.00 85 K H H 101.86 9.99 17.32 27.68 91.83 52.48 -66.06 -33.72 15.49 0.07 84.44 1.92 1.35 11.92 82.15 2.56 0.03 0.03 0.04 86 R H H 170.16 1.53 18.80 19.53 93.08 53.67 -72.78 -26.17 37.68 0.24 62.08 5.03 4.18 28.36 59.44 2.71 0.05 0.09 0.15 87 D C H 77.14 7.98 14.79 23.63 99.70 53.29 -88.48 -1.77 60.80 0.58 38.62 15.48 12.67 33.02 35.26 2.95 0.03 0.20 0.39 88 E C C 84.14 12.01 13.31 25.57 114.96 119.19 -95.24 125.74 95.03 0.76 4.21 55.87 36.53 2.77 2.89 1.09 0.00 0.24 0.60 89 P C C 55.45 11.65 13.48 26.00 113.21 -122.39 -67.87 148.02 87.76 1.17 11.07 68.47 8.25 10.85 3.65 7.54 0.00 0.66 0.57 90 K C C 136.90 4.27 17.45 23.06 111.07 -130.03 -88.45 127.42 79.38 7.93 12.69 53.71 11.73 13.81 4.05 8.73 0.01 4.60 3.37 91 W C C 92.95 14.93 11.73 26.16 115.43 -155.72 -97.55 131.27 80.57 10.01 9.42 50.10 15.79 14.80 3.35 5.94 0.03 5.71 4.28 92 G C C 36.82 7.27 14.98 23.24 118.17 108.70 82.54 168.23 89.46 5.15 5.39 55.29 18.84 15.35 1.76 3.69 0.00 2.97 2.10 93 S C C 66.14 6.21 12.45 19.90 107.82 -113.05 -82.74 65.31 83.63 2.50 13.87 35.85 23.89 24.53 3.76 9.45 0.01 1.16 1.35 94 D C T 116.34 2.16 13.65 16.70 97.38 -45.32 -73.76 -15.16 80.86 1.43 17.71 20.55 22.40 38.80 4.88 11.78 0.01 0.66 0.93 95 N C T 97.78 5.31 12.75 19.32 101.39 51.19 -91.12 19.26 78.94 2.32 18.74 29.88 20.08 30.22 5.12 12.28 0.02 1.08 1.32 96 A C C 50.65 10.20 11.16 22.21 104.23 129.96 -75.08 45.10 80.52 4.68 14.79 48.18 17.56 14.99 5.19 9.41 0.01 2.61 2.06 97 R C C 143.23 4.86 15.77 21.86 109.56 90.60 -91.65 100.70 79.34 10.51 10.15 51.24 16.87 11.01 3.99 6.28 0.01 6.53 4.06 98 V C C 58.70 13.44 11.18 24.52 112.22 101.80 -89.21 123.12 80.97 11.51 7.52 59.25 12.48 8.68 3.36 4.33 0.01 7.30 4.60 99 S C C 75.48 4.68 14.85 20.66 102.20 -140.66 -83.11 -6.79 90.60 4.60 4.81 51.38 27.19 12.31 1.74 3.02 0.00 2.77 1.58 100 N C C 107.65 3.80 15.24 20.26 108.19 27.25 -113.11 83.81 94.79 3.51 1.70 52.69 38.75 3.71 0.64 1.03 0.00 2.07 1.10 101 P C C 54.53 14.39 10.14 24.24 114.04 -161.17 -71.07 145.20 88.78 4.29 6.94 70.93 9.40 8.44 1.77 5.20 0.00 3.41 0.86 102 T C C 90.80 4.20 15.34 20.74 111.33 -149.21 -94.88 118.04 74.41 17.40 8.19 51.39 13.30 10.05 2.37 5.62 0.01 15.04 2.22 103 V C C 75.64 10.27 11.38 22.49 119.71 -151.51 -107.96 131.01 58.39 34.92 6.69 45.22 9.49 3.86 3.67 3.23 0.02 31.37 3.14 104 I C C 102.51 5.43 13.38 20.63 119.64 -164.53 -111.88 133.87 56.49 37.79 5.72 46.90 5.92 2.79 3.58 2.20 0.01 36.44 2.16 105 S C C 66.04 7.88 9.94 19.34 119.78 -159.18 -109.06 136.72 60.42 33.85 5.72 49.13 6.33 3.90 3.24 2.40 0.01 32.87 2.12 106 Q C C 121.38 3.53 11.38 16.91 120.73 -164.25 -114.19 140.89 75.35 21.23 3.42 69.95 1.96 2.54 1.89 1.15 0.00 20.66 1.85 107 E C C 136.98 3.57 12.86 18.21 111.24 -107.54 -77.17 132.25 99.53 0.45 0.02 99.53 0.08 0.04 0.01 0.00 0.00 0.33 0.02