# 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 64.62 11.96 13.84 26.46 116.47 -135.58 -95.18 134.25 99.94 0.04 0.02 99.82 0.12 0.03 0.01 0.00 0.00 0.01 0.01 1 P C C 61.42 6.76 15.42 23.62 106.05 -113.18 -67.49 142.10 76.75 1.07 22.17 64.55 1.31 9.97 20.87 2.22 0.00 0.45 0.63 2 F H H 88.62 11.36 12.48 24.30 95.35 -122.03 -66.27 -30.54 45.17 1.24 53.59 18.05 8.52 20.67 46.73 4.63 0.11 0.53 0.76 3 F H H 97.90 7.32 13.48 22.10 93.64 57.58 -66.83 -36.86 26.22 0.76 73.02 9.40 5.74 13.10 65.84 5.06 0.12 0.38 0.38 4 D H H 77.05 3.10 15.80 19.47 93.38 53.52 -66.45 -38.27 16.29 0.38 83.33 8.78 2.93 6.10 77.90 3.90 0.03 0.20 0.15 5 V H H 49.23 7.60 13.67 23.04 92.96 50.98 -66.30 -41.27 4.93 0.13 94.94 1.71 0.82 2.73 91.60 3.02 0.03 0.07 0.04 6 Q H H 47.52 11.16 11.51 23.94 92.67 51.95 -64.84 -40.27 2.93 0.08 96.99 0.81 0.40 1.78 93.80 3.14 0.02 0.05 0.02 7 K H H 136.20 2.26 14.28 17.38 92.29 52.04 -64.82 -39.64 3.31 0.05 96.64 0.64 0.35 2.22 92.26 4.47 0.01 0.03 0.01 8 K H H 140.22 2.19 13.70 16.64 91.94 52.60 -66.94 -32.12 10.43 0.07 89.50 0.78 0.76 8.81 85.07 4.46 0.04 0.04 0.03 9 L C T 81.94 7.09 11.41 20.07 95.24 45.24 -91.56 -0.16 51.13 0.14 48.72 1.01 2.27 47.89 44.58 4.01 0.06 0.06 0.12 10 G C T 59.62 1.25 16.08 16.67 95.36 -112.14 76.74 17.97 99.55 0.04 0.41 7.27 2.71 89.72 0.18 0.10 0.00 0.02 0.01 11 V C C 47.80 12.19 8.88 21.94 116.28 140.25 -98.62 129.48 98.24 1.27 0.50 92.23 5.30 0.70 0.28 0.16 0.00 0.50 0.84 12 D C C 84.13 3.79 17.18 21.68 108.88 -139.87 -89.48 112.12 98.15 1.06 0.79 96.39 1.33 0.66 0.46 0.14 0.00 0.38 0.64 13 L H H 61.54 13.04 12.25 25.78 95.38 -169.09 -69.10 -30.91 32.69 0.74 66.58 20.58 5.02 9.59 55.74 8.28 0.04 0.33 0.42 14 D H H 82.84 4.70 16.17 21.84 92.92 62.16 -65.07 -36.59 18.00 0.22 81.78 2.75 2.19 12.75 69.08 12.89 0.10 0.13 0.11 15 H H H 101.59 4.49 16.64 21.95 93.39 51.37 -67.96 -37.66 12.33 0.19 87.47 2.14 1.41 8.32 73.09 14.80 0.05 0.12 0.07 16 W H H 77.75 11.86 14.13 26.71 92.98 52.15 -66.19 -40.84 9.32 0.31 90.37 2.88 1.45 5.23 79.13 10.97 0.05 0.21 0.09 17 M H H 77.90 8.71 15.99 25.67 92.92 51.28 -66.78 -39.33 10.30 0.96 88.74 4.17 1.81 5.36 80.68 6.97 0.09 0.67 0.25 18 T H H 72.31 4.52 17.85 22.94 93.58 50.38 -69.07 -38.50 12.46 1.21 86.33 5.04 2.23 6.41 78.83 6.19 0.10 0.92 0.28 19 I H H 73.28 8.20 16.93 25.97 95.23 48.31 -71.76 -36.12 13.47 1.04 85.49 4.85 2.52 7.29 77.31 6.87 0.13 0.77 0.27 20 Q H H 63.76 12.37 15.32 27.98 95.93 54.99 -73.17 -27.49 21.36 1.20 77.44 6.82 3.90 12.14 68.53 7.24 0.19 0.75 0.44 21 S H H 54.99 8.45 16.00 25.30 99.30 58.48 -81.73 -6.99 39.44 1.43 59.13 11.72 7.25 22.47 48.82 8.07 0.21 0.71 0.75 22 A C H 51.70 8.28 14.32 23.83 110.77 91.57 -85.07 138.85 60.85 2.70 36.45 23.99 14.63 23.83 26.55 8.24 0.13 1.21 1.42 23 E C C 111.47 6.32 14.13 21.67 114.05 -111.02 -85.07 132.03 71.43 7.28 21.29 38.43 18.08 15.60 13.94 6.48 0.12 2.99 4.34 24 Q C C 70.22 9.91 10.29 21.41 120.05 -151.03 -98.47 147.02 87.90 6.34 5.76 56.04 25.14 6.22 3.14 2.59 0.00 2.50 4.35 25 P C T 94.38 4.18 12.38 17.80 96.87 -109.21 -65.76 -19.03 87.47 1.25 11.28 18.13 15.00 54.27 2.59 8.66 0.00 0.67 0.69 26 H C T 131.94 3.54 11.71 16.49 100.22 42.72 -88.40 8.21 87.29 1.13 11.58 12.17 17.86 57.20 2.48 8.97 0.01 0.60 0.72 27 R C S 163.02 3.74 12.47 17.85 98.75 -112.77 60.14 29.00 86.15 4.09 9.77 29.65 37.85 18.92 2.10 7.08 0.01 1.72 2.67 28 I C C 92.42 5.52 12.65 19.87 120.06 135.59 -104.40 138.30 92.09 5.78 2.13 46.36 41.61 4.28 0.93 1.14 0.00 2.51 3.16 29 P C C 69.33 8.22 13.52 23.09 113.18 -102.56 -66.58 146.49 93.16 4.41 2.43 77.25 11.14 4.16 1.05 1.34 0.00 1.89 3.16 30 A C C 41.90 11.66 13.01 25.32 114.32 -115.28 -73.86 158.86 92.64 2.50 4.86 79.80 8.07 4.13 2.25 2.37 0.00 0.86 2.52 31 R C T 145.28 5.11 18.39 24.40 94.41 -107.03 -65.74 -26.48 93.85 0.36 5.79 2.17 7.00 85.23 2.35 2.77 0.00 0.18 0.31 32 C C T 22.16 17.51 13.24 30.89 97.14 46.77 -98.33 2.06 94.29 0.09 5.62 3.58 3.70 87.76 2.92 1.92 0.00 0.04 0.07 33 H H H 68.63 11.71 15.53 28.19 92.78 103.72 -60.12 -41.78 2.81 0.01 97.18 1.15 0.37 1.04 96.63 0.80 0.00 0.00 0.00 34 A H H 61.12 3.10 21.65 24.33 91.38 52.28 -64.16 -39.51 0.55 0.00 99.45 0.08 0.03 0.33 99.17 0.39 0.00 0.00 0.00 35 F H H 47.95 13.20 18.81 32.52 92.19 49.82 -65.73 -40.99 0.24 0.00 99.75 0.04 0.01 0.14 99.46 0.35 0.00 0.00 0.00 36 E H H 29.24 18.43 17.38 35.47 91.86 51.84 -63.36 -41.92 0.10 0.00 99.90 0.01 0.00 0.05 99.86 0.07 0.00 0.00 0.00 37 K H H 100.29 6.07 22.53 28.95 91.72 51.13 -63.82 -41.11 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 38 E H H 85.82 6.56 22.81 29.65 91.70 50.45 -64.69 -41.11 0.14 0.00 99.86 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 39 W H H 28.19 19.02 18.90 37.72 92.06 50.10 -64.36 -42.56 0.19 0.00 99.81 0.01 0.01 0.16 99.73 0.10 0.00 0.00 0.00 40 I H H 43.48 13.91 20.74 34.63 91.70 50.63 -63.73 -42.15 0.45 0.00 99.55 0.02 0.02 0.36 99.36 0.24 0.00 0.00 0.00 41 E H H 102.94 3.34 24.93 27.78 91.70 50.54 -64.43 -40.88 2.21 0.00 97.79 0.11 0.09 1.93 96.86 1.01 0.00 0.00 0.00 42 C H H 23.59 11.80 19.32 32.43 92.00 50.64 -65.09 -40.62 5.53 0.01 94.45 0.40 0.35 4.62 91.35 3.25 0.01 0.01 0.01 43 A H H 15.02 16.74 16.48 33.62 91.99 52.55 -65.24 -36.78 9.36 0.14 90.50 1.76 1.20 6.49 82.57 7.79 0.06 0.06 0.07 44 H H H 107.43 6.40 19.29 26.42 92.97 53.77 -67.59 -33.71 15.40 0.26 84.34 2.18 1.72 11.41 73.86 10.43 0.14 0.14 0.13 45 G H H 43.71 4.78 17.80 23.34 94.84 55.78 -72.45 -25.17 25.20 0.32 74.48 2.71 2.84 19.30 65.43 9.23 0.16 0.16 0.18 46 I C T 74.16 10.62 13.39 24.57 100.60 50.49 -90.44 1.79 63.76 0.83 35.42 4.02 8.82 49.50 29.91 6.50 0.18 0.36 0.69 47 G C T 45.70 3.93 16.50 21.29 110.08 -75.69 89.69 0.12 85.60 0.51 13.89 14.99 11.36 59.09 10.82 3.19 0.00 0.22 0.34 48 S C S 61.44 6.81 14.02 21.79 107.83 31.95 -84.43 -30.38 65.15 1.30 33.54 18.99 25.19 21.97 24.56 7.81 0.08 0.48 0.92 49 I C H 104.75 5.05 15.44 21.35 97.33 14.32 -72.23 -24.51 55.16 1.75 43.09 9.40 16.84 29.58 33.28 8.70 0.38 0.79 1.02 50 R H H 117.70 5.52 17.87 23.97 96.36 55.87 -72.89 -25.09 48.91 1.67 49.43 20.15 7.87 22.55 39.36 8.34 0.08 0.85 0.81 51 A H H 12.74 16.15 12.96 29.85 94.05 67.42 -63.97 -41.01 16.38 0.64 82.98 8.63 3.03 6.05 72.45 9.18 0.04 0.39 0.24 52 E H H 79.81 11.06 17.14 28.51 92.73 53.57 -63.95 -39.53 8.84 0.38 90.78 2.93 1.42 4.67 78.27 12.28 0.05 0.28 0.10 53 K H H 122.05 2.35 21.26 22.65 92.95 50.02 -67.07 -38.87 8.54 0.34 91.11 2.21 1.33 5.06 77.81 13.20 0.06 0.26 0.09 54 E H H 77.75 7.99 18.51 27.29 93.05 49.01 -70.57 -33.73 15.06 0.56 84.38 3.30 2.79 9.64 73.66 9.83 0.21 0.33 0.25 55 C H H 13.25 19.07 11.50 30.34 96.92 53.62 -81.36 -17.12 48.21 1.37 50.43 20.07 8.40 21.42 42.17 6.38 0.09 0.59 0.87 56 K C H 115.65 5.73 17.04 23.96 93.73 78.73 -64.25 -38.71 52.64 1.05 46.30 14.54 9.93 29.17 36.60 8.53 0.11 0.46 0.65 57 I C H 107.57 3.06 17.15 20.39 94.56 48.13 -71.09 -34.38 52.37 0.80 46.83 7.28 12.35 33.67 36.34 9.22 0.24 0.34 0.56 58 E H H 85.64 8.66 15.24 24.69 99.03 41.12 -90.29 -11.78 49.08 1.05 49.86 11.16 12.98 26.29 36.26 11.89 0.24 0.45 0.73 59 F H H 89.58 12.00 15.23 27.13 97.94 -106.28 -24.88 -10.63 41.70 0.87 57.43 10.13 7.82 24.00 39.63 17.29 0.19 0.41 0.53 60 E H H 91.59 7.69 18.09 26.32 97.55 90.01 -70.66 -23.77 40.24 0.88 58.88 12.02 7.64 21.26 41.81 16.23 0.12 0.43 0.50 61 D H H 47.07 10.42 17.65 28.89 99.93 53.44 -85.40 -9.41 40.59 0.81 58.59 24.69 6.13 11.07 46.93 10.36 0.02 0.38 0.43 62 F H H 48.38 15.93 16.43 32.30 94.38 73.83 -64.57 -38.05 14.74 0.24 85.02 6.31 3.01 6.52 79.36 4.54 0.04 0.11 0.11 63 R H H 110.67 7.84 21.15 29.25 92.18 53.28 -64.48 -40.97 6.15 0.09 93.76 1.50 0.95 3.84 89.11 4.49 0.03 0.05 0.03 64 E H H 68.39 6.85 20.51 28.27 91.87 50.11 -64.68 -41.47 4.69 0.05 95.25 0.94 0.56 3.04 89.71 5.69 0.01 0.03 0.01 65 C H H 22.06 13.05 17.37 31.61 92.08 49.95 -64.74 -40.85 7.64 0.06 92.30 1.14 0.77 5.36 86.52 6.14 0.02 0.03 0.02 66 L H H 52.58 10.66 18.69 30.05 92.07 49.70 -66.90 -38.15 20.32 0.13 79.56 2.20 2.06 15.80 75.20 4.55 0.05 0.06 0.08 67 L H H 72.42 6.89 18.97 26.55 92.22 52.09 -66.69 -38.59 23.19 0.20 76.61 5.78 3.74 14.19 73.99 2.04 0.03 0.07 0.14 68 R H H 112.27 6.57 18.45 25.74 93.02 53.50 -65.14 -40.58 5.93 0.04 94.03 2.13 0.90 2.59 93.86 0.49 0.00 0.01 0.01 69 Q H H 86.89 5.39 19.24 25.07 92.36 50.36 -65.77 -41.47 1.40 0.01 98.59 0.40 0.15 0.71 98.46 0.28 0.00 0.00 0.00 70 K H H 76.68 6.92 17.30 25.42 91.94 50.00 -64.64 -41.64 0.52 0.00 99.47 0.12 0.04 0.28 99.36 0.20 0.00 0.00 0.00 71 T H H 55.64 6.66 17.49 25.26 91.98 50.15 -64.49 -41.58 0.41 0.00 99.59 0.08 0.03 0.22 99.54 0.12 0.00 0.00 0.00 72 M H H 88.29 4.13 18.07 22.84 91.90 49.95 -64.44 -41.48 0.32 0.00 99.68 0.05 0.02 0.19 99.69 0.06 0.00 0.00 0.00 73 K H H 113.35 3.05 18.65 21.81 91.82 49.86 -64.62 -41.37 0.30 0.00 99.70 0.04 0.01 0.17 99.73 0.04 0.00 0.00 0.00 74 R H H 107.35 6.07 17.23 24.08 91.76 50.24 -64.16 -41.13 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 75 L H H 71.18 5.68 16.98 23.80 91.74 50.06 -63.93 -41.65 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 76 N H H 80.91 2.60 18.84 21.06 91.64 50.25 -64.31 -40.87 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 77 A H H 42.80 4.11 17.52 22.69 91.53 50.50 -63.86 -41.59 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 78 I H H 64.49 7.01 16.50 24.63 92.01 49.27 -64.77 -41.88 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 79 K H H 102.87 4.22 17.72 22.58 91.67 50.40 -63.99 -41.09 0.20 0.00 99.80 0.02 0.01 0.13 99.83 0.02 0.00 0.00 0.00 80 R H H 134.35 1.86 19.14 19.97 91.87 49.87 -64.64 -41.66 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 81 Q H H 79.19 4.64 17.68 23.09 91.76 49.68 -64.61 -41.11 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 82 R H H 89.40 8.37 15.94 25.37 91.95 50.46 -64.33 -41.06 0.15 0.00 99.85 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 83 D H H 74.47 3.18 17.85 21.26 91.51 50.13 -63.97 -40.38 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 84 K H H 106.05 2.00 17.77 19.02 91.70 50.59 -64.50 -41.04 0.26 0.00 99.74 0.02 0.01 0.18 99.74 0.05 0.00 0.00 0.00 85 L H H 50.51 5.82 13.68 21.64 91.78 50.52 -64.49 -40.98 0.45 0.00 99.55 0.05 0.03 0.32 99.45 0.15 0.00 0.00 0.00 86 I H H 69.71 6.41 12.00 20.23 92.22 50.11 -64.50 -41.75 0.70 0.00 99.29 0.07 0.04 0.53 98.93 0.43 0.00 0.00 0.00 87 K H H 153.48 1.14 13.43 14.41 91.00 52.00 -65.20 -32.51 3.33 0.00 96.67 0.10 0.11 3.18 96.16 0.45 0.00 0.00 0.00 88 E C T 129.21 1.56 11.93 13.79 92.13 52.71 -84.30 -6.34 74.83 0.02 25.15 0.24 0.97 73.03 25.04 0.69 0.00 0.00 0.02 89 G C T 57.83 1.72 11.35 14.24 95.47 -114.29 78.81 11.86 99.49 0.01 0.50 0.65 1.88 97.16 0.22 0.08 0.00 0.00 0.00 90 K C S 135.94 2.22 12.52 15.81 95.65 121.98 -81.20 -19.21 99.33 0.33 0.34 21.83 71.68 5.83 0.08 0.26 0.00 0.14 0.19 91 Y C S 82.01 10.73 8.88 20.47 127.97 35.40 -129.77 145.66 97.39 2.19 0.43 31.82 60.77 4.47 0.11 0.30 0.00 0.64 1.88 92 T C C 96.99 2.17 15.89 18.80 119.96 -149.44 -110.24 137.79 98.96 1.00 0.04 82.07 16.77 0.20 0.01 0.02 0.00 0.38 0.55 93 P C C 77.46 8.06 11.25 20.76 116.62 -103.75 -64.96 149.07 99.71 0.25 0.03 91.29 8.27 0.16 0.01 0.02 0.00 0.09 0.16 94 P C C 60.49 7.34 10.14 19.44 115.86 -103.17 -64.57 151.77 98.85 0.19 0.96 91.65 5.21 1.90 0.18 0.85 0.00 0.07 0.14 95 P C C 118.92 1.28 12.63 14.23 94.84 -107.50 -65.12 -21.47 90.71 0.61 8.68 47.76 20.97 20.66 1.13 8.82 0.00 0.27 0.40 96 H C C 126.40 3.62 10.65 15.82 115.88 49.61 -109.24 124.43 83.98 3.43 12.59 48.22 16.80 18.17 2.07 11.20 0.00 1.59 1.95 97 H C C 101.25 8.10 8.45 17.69 112.29 -146.56 -86.72 125.59 84.16 5.69 10.15 62.02 11.98 9.26 2.73 7.82 0.00 2.79 3.40 98 S C C 79.07 3.26 11.55 16.07 104.19 -164.44 -97.49 12.78 87.61 3.02 9.38 42.69 18.11 27.20 2.26 6.71 0.00 1.45 1.56 99 G C C 47.51 4.54 9.81 15.85 110.16 -113.21 81.13 46.41 87.56 1.67 10.78 31.26 26.43 30.32 2.24 8.02 0.00 0.71 1.02 100 Q C C 138.64 2.03 9.68 12.97 106.11 -78.64 -89.76 52.21 83.78 2.19 14.03 48.68 22.40 12.65 3.40 10.46 0.00 0.93 1.47 101 E C C 133.32 2.59 8.64 13.11 113.91 91.49 -90.42 134.97 85.09 2.08 12.84 50.60 21.44 13.12 3.11 9.51 0.00 0.97 1.25 102 D C C 112.32 2.13 9.33 13.07 111.14 -108.01 -84.29 128.33 91.05 1.73 7.22 63.57 18.74 8.52 1.82 5.49 0.00 0.83 1.03 103 L C C 119.42 3.60 7.32 12.71 110.17 -140.52 -85.36 123.96 95.14 1.88 2.98 80.39 10.06 4.40 0.91 2.08 0.00 0.86 1.29 104 R C C 168.03 2.00 8.27 12.13 118.00 -157.73 -100.36 135.98 99.27 0.67 0.05 97.01 2.26 0.15 0.02 0.01 0.00 0.27 0.28 105 P C C 102.94 2.81 10.69 15.17 111.21 -99.10 -67.53 145.27 99.93 0.05 0.02 99.68 0.21 0.07 0.01 0.00 0.00 0.02 0.01