# 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 V C C 73.47 9.31 13.54 23.65 115.89 -164.01 -98.64 128.02 99.61 0.17 0.21 99.55 0.09 0.09 0.15 0.01 0.00 0.08 0.02 1 A C C 68.62 4.47 11.94 17.81 110.34 -136.06 -81.37 130.76 73.99 2.66 23.34 68.13 1.18 4.88 21.21 2.13 0.00 1.61 0.86 2 C C C 83.95 4.24 9.64 15.35 105.30 -137.05 -81.97 15.37 66.97 3.56 29.48 50.66 7.78 7.39 27.61 3.32 0.01 2.24 0.98 3 T C H 89.98 3.42 10.40 15.22 103.12 73.67 -80.24 -12.03 53.68 3.36 42.96 39.51 8.02 6.35 39.54 3.63 0.01 2.12 0.81 4 K H H 131.71 3.40 11.16 15.95 99.92 71.08 -76.06 -24.63 41.30 2.50 56.20 29.48 6.98 5.74 51.82 3.80 0.02 1.62 0.54 5 E H H 118.78 3.86 11.66 16.92 100.52 63.07 -78.25 -21.46 37.79 2.30 59.91 28.34 4.84 5.22 55.59 3.91 0.01 1.69 0.41 6 V H H 88.97 4.51 11.95 17.76 102.68 69.37 -79.93 -22.34 34.96 2.78 62.25 25.54 4.79 5.61 57.51 3.96 0.01 2.07 0.50 7 H H H 114.51 4.75 13.09 19.04 101.75 58.70 -79.87 -18.57 35.73 2.74 61.53 25.16 5.30 6.25 57.23 3.56 0.02 1.91 0.57 8 M H H 95.06 6.57 12.71 20.51 100.81 61.40 -76.96 -25.34 40.36 1.90 57.74 27.20 6.70 6.66 54.87 2.91 0.01 1.17 0.48 9 S H H 61.73 4.47 15.12 20.43 100.72 57.08 -73.45 -31.48 46.61 1.28 52.11 32.81 5.66 7.39 50.53 2.51 0.00 0.74 0.35 10 K H H 113.53 6.67 15.75 23.25 95.97 51.15 -68.66 -34.46 31.31 0.91 67.78 16.35 6.70 9.55 63.31 3.25 0.03 0.48 0.32 11 M H H 80.83 9.42 15.68 25.66 95.14 54.22 -69.14 -37.45 27.46 0.67 71.87 13.80 5.94 8.85 67.95 2.86 0.02 0.33 0.25 12 S H H 53.88 5.44 18.43 24.47 94.59 55.01 -67.57 -38.80 30.93 0.62 68.45 18.31 4.92 7.67 66.55 2.03 0.01 0.29 0.23 13 D H H 67.79 7.93 19.54 27.70 94.14 52.16 -67.24 -38.95 21.33 0.48 78.19 12.38 4.00 5.69 75.98 1.54 0.01 0.22 0.18 14 V H H 34.50 15.88 17.67 33.50 93.01 50.72 -65.36 -41.86 7.19 0.15 92.66 3.42 1.28 2.90 91.21 1.06 0.01 0.07 0.06 15 K H H 95.94 9.14 21.95 31.24 92.26 51.38 -64.18 -41.51 5.03 0.14 94.83 2.42 0.71 2.06 93.74 0.94 0.00 0.07 0.05 16 C H H 56.56 5.66 23.48 29.22 92.10 50.08 -64.80 -42.10 3.96 0.07 95.97 1.83 0.51 1.60 95.41 0.58 0.00 0.03 0.03 17 T H H 32.05 13.09 22.09 35.35 92.22 50.62 -64.97 -41.58 1.82 0.01 98.17 0.85 0.22 0.67 98.07 0.19 0.00 0.00 0.01 18 S H H 17.70 18.00 20.23 38.12 92.27 51.67 -64.00 -42.23 0.81 0.00 99.18 0.25 0.08 0.38 99.19 0.09 0.00 0.00 0.00 19 V H H 66.12 7.30 24.38 32.10 91.83 50.33 -64.37 -42.45 0.31 0.00 99.69 0.07 0.03 0.16 99.68 0.05 0.00 0.00 0.00 20 V H H 61.57 7.13 24.82 32.13 91.72 49.66 -64.20 -43.26 0.18 0.00 99.82 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 21 L H H 23.02 19.17 21.20 40.08 91.94 49.02 -63.96 -43.17 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 22 L H H 35.54 15.66 20.69 36.15 91.73 50.26 -63.37 -41.76 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 23 S H H 53.02 4.09 24.16 28.09 91.50 51.20 -64.32 -41.56 0.68 0.00 99.32 0.05 0.03 0.50 99.35 0.07 0.00 0.00 0.00 24 V H H 37.27 10.77 20.72 32.38 91.98 49.75 -64.48 -42.72 0.75 0.00 99.24 0.07 0.05 0.56 99.09 0.22 0.00 0.00 0.00 25 L H H 13.39 19.92 15.30 35.73 91.98 49.96 -64.53 -41.38 1.01 0.00 98.98 0.13 0.08 0.70 98.48 0.61 0.00 0.00 0.00 26 Q H H 93.26 6.75 18.48 26.12 91.75 51.64 -64.09 -40.30 3.06 0.01 96.94 0.25 0.18 2.48 95.96 1.11 0.01 0.00 0.00 27 Q H H 120.45 2.69 18.54 21.24 91.13 53.27 -65.72 -31.43 9.96 0.01 90.03 0.32 0.41 9.39 88.83 1.03 0.01 0.00 0.01 28 L C T 55.73 11.72 13.49 26.31 94.29 51.63 -85.99 -2.39 73.50 0.08 26.42 1.11 2.88 68.42 25.99 1.49 0.01 0.02 0.08 29 R C T 170.49 2.42 19.16 21.94 95.30 -118.31 59.90 36.57 92.17 0.13 7.70 6.61 2.57 82.71 7.01 0.97 0.00 0.05 0.07 30 V C C 31.48 16.79 10.51 27.12 102.63 143.28 -91.30 25.94 82.81 2.12 15.08 72.39 4.97 5.96 9.90 4.48 0.00 1.07 1.23 31 E C C 116.12 5.96 15.27 22.53 98.67 108.47 -73.13 -24.64 76.54 1.74 21.71 50.76 10.24 15.56 10.95 10.62 0.01 0.90 0.96 32 S C T 83.92 2.45 15.75 18.72 97.64 59.99 -82.57 -6.63 76.19 1.49 22.32 24.35 24.00 28.93 9.22 11.90 0.02 0.67 0.90 33 S C C 48.10 10.23 11.21 22.28 106.29 76.53 -96.25 55.14 82.23 1.15 16.62 41.46 22.32 18.93 7.53 8.53 0.00 0.48 0.75 34 S C H 69.86 4.43 14.58 20.35 98.02 129.19 -69.74 -38.50 52.83 0.64 46.53 23.37 24.95 4.33 45.54 1.27 0.01 0.16 0.37 35 K H H 143.71 1.72 18.20 19.41 93.03 53.30 -65.59 -39.12 5.00 0.02 94.98 1.21 0.92 2.70 94.39 0.76 0.00 0.01 0.01 36 L H H 32.05 15.54 15.04 30.85 92.60 49.62 -65.60 -41.50 2.27 0.02 97.71 0.61 0.27 1.26 97.21 0.64 0.00 0.01 0.00 37 W H H 70.56 14.31 16.25 30.71 91.93 51.50 -63.34 -41.79 0.64 0.00 99.35 0.20 0.06 0.30 99.08 0.35 0.00 0.00 0.00 38 A H H 57.54 2.57 22.76 24.20 91.59 50.71 -63.75 -41.26 0.29 0.00 99.71 0.07 0.02 0.14 99.67 0.10 0.00 0.00 0.00 39 Q H H 70.22 8.55 21.69 30.65 91.96 49.96 -65.14 -41.24 0.27 0.00 99.73 0.05 0.02 0.16 99.72 0.06 0.00 0.00 0.00 40 C H H 6.59 22.68 16.12 39.03 91.62 50.43 -64.17 -42.70 0.23 0.00 99.77 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 41 V H H 61.06 8.26 22.47 31.09 91.59 50.43 -63.64 -42.32 0.17 0.00 99.83 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 42 Q H H 105.30 2.26 25.50 26.42 91.51 50.05 -64.12 -41.86 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 43 L H H 17.37 17.22 19.30 36.88 91.83 49.63 -64.57 -42.47 0.23 0.00 99.77 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 44 H H H 38.05 18.77 19.22 37.22 91.43 51.83 -62.21 -42.70 0.20 0.00 99.80 0.01 0.01 0.14 99.80 0.04 0.00 0.00 0.00 45 N H H 86.10 3.26 24.23 26.84 91.58 50.06 -64.18 -40.55 0.44 0.00 99.56 0.03 0.02 0.34 99.52 0.10 0.00 0.00 0.00 46 D H H 61.54 6.96 22.19 29.62 92.01 49.47 -65.87 -39.72 0.86 0.00 99.14 0.05 0.04 0.70 98.73 0.47 0.00 0.00 0.00 47 I H H 10.15 22.94 14.60 37.58 91.63 50.56 -64.46 -41.47 1.40 0.00 98.60 0.05 0.06 1.26 96.69 1.94 0.00 0.00 0.00 48 L H H 76.00 10.93 19.02 30.22 91.34 52.57 -67.74 -29.28 9.58 0.00 90.42 0.17 0.29 9.61 88.28 1.64 0.01 0.00 0.00 49 L H H 118.37 1.91 20.97 21.86 93.90 51.88 -86.98 -9.48 44.18 0.06 55.76 1.31 2.08 39.96 54.58 1.99 0.02 0.02 0.04 50 A C C 20.22 17.44 7.85 24.71 117.50 108.93 -73.33 142.90 98.11 0.56 1.33 91.49 4.83 1.62 1.19 0.19 0.00 0.16 0.53 51 K C S 169.28 1.03 17.68 17.81 96.82 -159.86 -90.47 -20.91 99.50 0.23 0.27 36.20 62.29 1.07 0.17 0.07 0.00 0.06 0.14 52 D C S 76.05 3.28 19.97 23.20 129.97 36.59 -130.09 153.45 98.84 0.69 0.47 33.81 64.53 0.52 0.37 0.08 0.00 0.13 0.57 53 T H H 47.10 17.18 12.62 29.30 91.84 -117.70 -61.64 -36.18 4.28 0.01 95.71 0.75 0.99 2.39 95.04 0.82 0.00 0.00 0.01 54 T H H 86.24 3.66 20.23 24.27 91.85 54.96 -63.64 -41.38 2.25 0.00 97.75 0.23 0.21 1.63 97.10 0.81 0.00 0.00 0.00 55 E H H 88.49 4.05 21.68 25.70 91.92 48.40 -65.97 -40.24 0.83 0.00 99.17 0.15 0.07 0.52 98.60 0.66 0.00 0.00 0.00 56 A H H 4.84 20.41 14.80 36.04 91.12 51.46 -62.55 -43.48 0.23 0.00 99.77 0.04 0.02 0.12 99.73 0.09 0.00 0.00 0.00 57 F H H 51.58 15.96 20.40 35.81 91.58 50.41 -63.04 -42.30 0.11 0.00 99.89 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 58 E H H 111.61 2.65 25.57 27.37 91.41 50.11 -63.72 -41.68 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 59 K H H 67.47 11.31 22.53 33.83 91.83 49.28 -65.39 -40.79 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 60 M H H 9.52 23.94 18.81 42.60 91.44 50.52 -63.75 -42.73 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 61 V H H 50.90 11.32 23.25 34.63 91.50 50.17 -63.02 -42.27 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 62 S H H 53.64 3.64 25.61 28.86 91.37 50.68 -63.72 -41.93 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 63 L H H 18.63 18.62 20.61 39.16 91.48 50.10 -64.15 -42.86 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 64 L H H 21.24 20.47 20.25 39.99 91.11 50.37 -63.41 -41.87 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 S H H 54.34 5.01 23.73 28.83 91.38 51.85 -63.46 -41.68 0.15 0.00 99.85 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 66 V H H 51.57 8.18 21.78 30.66 91.68 49.92 -64.28 -42.60 0.26 0.00 99.74 0.01 0.01 0.20 99.53 0.25 0.00 0.00 0.00 67 L H H 13.35 21.73 16.58 38.21 91.52 49.35 -64.54 -40.99 0.85 0.00 99.15 0.04 0.03 0.71 98.56 0.66 0.00 0.00 0.00 68 L H H 63.15 13.12 17.90 31.04 91.20 53.06 -66.43 -30.58 10.07 0.01 89.91 0.28 0.36 9.50 88.59 1.26 0.01 0.00 0.00 69 S H H 79.31 2.25 19.84 21.71 93.23 56.42 -81.66 -12.51 45.42 0.14 54.45 2.83 2.97 38.35 53.71 1.97 0.03 0.05 0.09 70 M C C 65.09 13.72 11.48 25.36 108.09 88.11 -80.65 110.52 71.00 1.89 27.11 31.23 20.51 19.42 23.57 3.44 0.03 0.68 1.12 71 Q C C 119.97 5.38 14.11 21.06 108.25 -148.78 -83.09 111.79 79.81 2.95 17.24 48.17 10.07 21.11 13.04 4.50 0.01 1.42 1.68 72 G C T 43.10 6.12 12.65 20.24 120.60 120.40 -110.95 166.48 85.93 1.75 12.32 29.21 23.77 33.91 6.09 5.31 0.01 0.83 0.87 73 A C C 87.71 2.60 14.61 18.01 100.41 -79.02 -83.49 -0.33 85.03 3.75 11.23 40.10 23.59 22.00 5.87 4.98 0.01 2.08 1.37 74 V C C 57.46 11.86 10.78 23.34 119.34 95.72 -98.73 139.41 79.52 10.70 9.78 41.16 33.16 6.00 7.43 2.56 0.06 4.92 4.71 75 D C C 83.38 4.60 18.66 23.85 104.50 -123.35 -81.73 92.98 89.03 3.84 7.13 81.67 3.33 3.88 6.12 1.30 0.00 2.32 1.38 76 I H H 37.31 18.63 12.03 30.47 94.67 173.14 -68.82 -31.15 14.60 0.15 85.24 11.56 1.53 2.47 82.94 1.38 0.00 0.06 0.06 77 N H H 89.78 6.19 17.59 24.82 91.88 60.54 -62.54 -40.70 2.82 0.02 97.17 0.81 0.32 1.56 95.68 1.62 0.00 0.01 0.00 78 K H H 119.52 2.09 20.55 21.59 92.13 50.18 -65.84 -40.35 1.60 0.01 98.39 0.42 0.16 0.95 96.79 1.67 0.00 0.01 0.00 79 L H H 36.26 11.66 16.39 29.36 91.89 50.34 -64.42 -42.40 0.99 0.01 99.00 0.28 0.10 0.54 97.95 1.13 0.00 0.00 0.00 80 C H H 24.73 14.48 15.23 30.59 92.01 50.55 -63.60 -42.29 0.87 0.01 99.12 0.24 0.08 0.45 98.75 0.48 0.00 0.00 0.00 81 E H H 100.62 3.16 19.16 22.34 91.81 50.91 -63.74 -41.07 1.16 0.01 98.83 0.25 0.09 0.70 98.28 0.66 0.00 0.00 0.00 82 E H H 96.78 3.36 18.68 22.12 91.99 50.03 -65.26 -40.93 2.08 0.01 97.91 0.34 0.17 1.43 97.13 0.92 0.00 0.00 0.00 83 M H H 48.74 12.98 14.45 28.08 92.22 49.80 -65.84 -40.56 4.51 0.02 95.48 0.60 0.40 3.26 94.63 1.08 0.01 0.01 0.01 84 L H H 68.70 9.32 14.48 24.74 92.84 49.25 -68.22 -34.32 17.12 0.13 82.75 3.16 2.03 11.86 81.25 1.55 0.03 0.05 0.08 85 D H H 102.14 1.99 15.83 17.80 94.63 54.07 -74.68 -25.76 43.08 0.35 56.57 8.48 6.96 27.30 54.99 1.90 0.04 0.13 0.21 86 N C H 85.60 5.55 11.81 18.77 101.26 57.26 -84.68 13.09 65.12 0.76 34.12 28.62 13.35 22.53 31.95 2.83 0.01 0.29 0.41 87 R C C 127.79 6.70 11.17 19.20 99.02 101.27 -73.72 -21.11 54.40 1.63 43.98 31.73 9.41 13.85 31.39 11.98 0.02 0.83 0.78 88 A C C 71.75 3.63 10.90 16.07 98.89 69.94 -75.18 -19.59 54.86 2.24 42.90 26.62 10.34 18.23 25.77 16.79 0.05 1.32 0.88 89 T C C 93.92 3.20 10.02 14.73 101.80 65.35 -83.80 0.16 55.27 4.73 40.00 28.01 10.23 18.05 22.58 16.46 0.10 2.96 1.61 90 L C C 106.55 5.01 7.93 14.50 105.41 74.65 -84.98 54.70 69.11 3.60 27.29 54.90 2.74 12.95 17.56 8.02 0.00 2.31 1.52 91 Q C C 132.34 2.79 11.72 16.11 106.71 -156.84 -86.45 86.30 99.93 0.05 0.02 99.85 0.06 0.05 0.01 0.00 0.00 0.03 0.00