# 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 G C C 34.88 6.43 13.31 20.95 123.13 -148.29 95.59 170.22 99.97 0.01 0.02 99.86 0.08 0.03 0.02 0.00 0.00 0.00 0.00 1 P C C 95.77 2.95 12.16 16.14 102.01 -45.74 -70.04 3.37 55.88 0.28 43.84 48.13 1.12 6.40 42.10 2.01 0.00 0.12 0.13 2 V H H 102.72 2.95 10.90 15.08 99.77 50.99 -74.34 -28.46 36.45 0.62 62.92 24.06 5.27 8.00 58.87 3.24 0.01 0.28 0.27 3 D H H 84.48 5.24 11.81 18.40 98.57 56.90 -72.37 -31.62 26.51 0.67 72.82 18.41 4.15 5.48 67.44 3.93 0.01 0.35 0.23 4 M H H 106.76 4.47 12.86 18.72 95.34 64.50 -68.90 -34.65 17.13 0.36 82.51 11.52 2.91 3.98 77.86 3.41 0.01 0.19 0.12 5 S H H 63.59 3.07 15.86 19.35 94.17 54.23 -67.56 -39.14 17.29 0.30 82.41 11.61 2.49 4.06 79.12 2.46 0.00 0.15 0.10 6 K H H 97.08 7.82 16.06 24.58 93.57 50.69 -66.98 -39.33 10.47 0.18 89.35 5.34 1.87 3.99 86.66 1.97 0.01 0.08 0.07 7 M H H 66.37 11.04 16.03 27.66 92.85 51.53 -65.59 -40.50 8.69 0.13 91.18 4.04 1.57 3.51 89.31 1.47 0.01 0.06 0.05 8 S H H 54.80 4.20 20.17 24.48 92.39 51.52 -64.61 -40.85 10.42 0.13 89.45 5.20 1.60 3.81 88.25 1.02 0.00 0.05 0.05 9 D H H 69.70 6.17 20.93 27.26 92.44 50.47 -65.53 -40.39 8.11 0.10 91.79 3.79 1.34 3.17 90.87 0.74 0.00 0.04 0.04 10 V H H 29.14 16.33 17.93 34.42 92.29 49.72 -64.67 -42.45 2.61 0.02 97.37 0.97 0.36 1.20 97.09 0.36 0.00 0.01 0.01 11 K H H 91.93 10.19 22.09 32.26 91.72 51.15 -63.00 -41.83 1.88 0.01 98.11 0.65 0.22 0.93 97.87 0.32 0.00 0.01 0.01 12 C H H 63.59 4.25 24.20 27.80 91.80 49.62 -64.12 -42.25 1.86 0.01 98.13 0.58 0.20 0.96 97.99 0.25 0.00 0.00 0.01 13 T H H 35.97 11.61 22.39 34.26 91.88 50.07 -64.74 -41.50 0.89 0.00 99.11 0.28 0.09 0.41 99.12 0.09 0.00 0.00 0.00 14 S H H 14.77 19.11 19.36 38.46 91.88 51.26 -63.92 -41.82 0.42 0.00 99.57 0.09 0.03 0.22 99.61 0.05 0.00 0.00 0.00 15 V H H 68.03 7.03 24.13 31.58 91.67 50.20 -63.85 -42.36 0.17 0.00 99.83 0.02 0.01 0.09 99.84 0.03 0.00 0.00 0.00 16 V H H 67.66 5.81 25.00 30.63 91.62 49.31 -63.83 -43.07 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 17 L H H 25.23 18.41 20.98 39.16 91.44 49.06 -64.05 -42.94 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 18 L H H 33.23 16.33 20.09 36.22 91.47 50.23 -63.38 -41.55 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 19 S H H 55.12 3.74 24.10 27.51 91.45 51.33 -64.21 -41.46 0.64 0.00 99.36 0.05 0.02 0.46 99.41 0.06 0.00 0.00 0.00 20 V H H 42.01 9.74 20.84 31.34 91.96 49.90 -64.52 -42.60 0.71 0.00 99.29 0.06 0.04 0.52 99.17 0.20 0.00 0.00 0.00 21 L H H 12.71 19.94 14.95 35.40 91.88 50.06 -64.44 -41.22 0.97 0.00 99.02 0.12 0.07 0.67 98.56 0.57 0.00 0.00 0.00 22 Q H H 93.39 6.88 18.19 25.99 91.78 51.84 -63.92 -40.18 2.99 0.01 97.00 0.24 0.17 2.42 96.05 1.11 0.01 0.00 0.00 23 Q H H 123.41 2.35 18.43 20.58 91.09 53.23 -65.57 -31.20 9.78 0.01 90.22 0.30 0.40 9.25 89.01 1.02 0.01 0.00 0.00 24 L C T 57.77 11.27 13.36 25.76 94.24 51.68 -85.69 -2.18 73.16 0.07 26.77 1.08 2.85 68.25 26.20 1.52 0.01 0.02 0.07 25 R C T 171.13 2.39 19.00 21.70 95.32 -117.65 59.97 36.18 92.01 0.12 7.88 6.45 2.53 82.75 7.17 0.99 0.00 0.05 0.06 26 V C C 31.52 16.64 10.51 27.03 101.95 141.47 -91.17 19.84 81.92 1.87 16.20 71.31 5.05 6.20 10.37 5.01 0.00 0.94 1.11 27 E C C 116.39 6.02 15.25 22.62 97.50 103.36 -71.89 -26.72 75.09 1.56 23.35 47.90 10.97 16.31 11.63 11.51 0.01 0.79 0.88 28 S C T 85.54 2.14 16.17 18.50 96.53 58.00 -82.11 -7.19 74.68 1.45 23.87 24.55 23.93 27.23 10.24 12.48 0.03 0.64 0.90 29 S C C 43.79 11.09 11.01 22.79 106.88 79.50 -98.02 64.89 81.24 1.13 17.62 45.04 20.87 15.75 8.74 8.40 0.00 0.46 0.75 30 S H H 72.93 3.90 14.80 20.09 95.98 142.10 -67.63 -37.20 42.14 0.40 57.46 18.98 18.43 4.50 56.52 1.25 0.01 0.10 0.22 31 K H H 142.89 1.66 18.48 19.53 92.75 53.41 -65.31 -39.55 4.54 0.02 95.44 1.10 0.81 2.43 94.92 0.72 0.00 0.01 0.01 32 L H H 30.45 15.73 14.97 31.02 92.50 49.12 -65.49 -41.62 1.95 0.01 98.04 0.53 0.23 1.05 97.60 0.59 0.00 0.01 0.00 33 W H H 72.05 14.21 16.39 30.74 91.86 51.51 -63.09 -41.89 0.56 0.00 99.44 0.16 0.06 0.26 99.21 0.30 0.00 0.00 0.00 34 A H H 58.14 2.45 22.94 24.12 91.54 50.63 -63.56 -41.25 0.25 0.00 99.75 0.05 0.02 0.12 99.72 0.08 0.00 0.00 0.00 35 Q H H 70.58 8.49 21.74 30.65 91.94 49.96 -65.01 -41.28 0.23 0.00 99.77 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 36 C H H 6.63 22.76 16.02 39.05 91.53 50.52 -64.14 -42.61 0.20 0.00 99.79 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 37 V H H 62.02 8.03 22.53 30.93 91.55 50.42 -63.58 -42.25 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 38 Q H H 105.80 2.21 25.45 26.28 91.53 50.07 -63.97 -41.74 0.19 0.00 99.81 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 39 L H H 17.61 17.23 19.24 36.83 91.91 49.65 -64.51 -42.55 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 40 H H H 38.90 18.64 19.18 37.05 91.35 51.74 -62.14 -42.68 0.20 0.00 99.80 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 41 N H H 87.30 3.04 24.20 26.49 91.58 50.02 -64.17 -40.61 0.44 0.00 99.56 0.03 0.02 0.33 99.52 0.10 0.00 0.00 0.00 42 D H H 62.04 6.87 22.07 29.42 91.91 49.53 -65.58 -39.92 0.86 0.00 99.14 0.05 0.04 0.70 98.73 0.47 0.00 0.00 0.00 43 I H H 10.29 22.92 14.43 37.40 91.59 50.58 -64.45 -41.36 1.39 0.00 98.61 0.05 0.06 1.24 96.69 1.96 0.00 0.00 0.00 44 L H H 77.63 10.69 18.93 29.91 91.25 52.52 -67.63 -28.73 9.48 0.00 90.52 0.17 0.29 9.50 88.35 1.67 0.01 0.00 0.00 45 L H H 119.56 1.82 20.90 21.60 93.82 51.80 -86.62 -9.41 43.61 0.04 56.35 1.22 1.97 39.65 55.13 1.97 0.01 0.01 0.04 46 A C C 20.36 17.43 7.78 24.61 117.25 108.86 -73.61 142.86 98.18 0.43 1.39 91.34 4.93 1.74 1.24 0.20 0.00 0.12 0.42 47 K C S 169.35 1.03 17.67 17.79 96.96 -160.81 -92.49 -19.63 99.53 0.21 0.26 38.52 59.96 1.10 0.16 0.07 0.00 0.06 0.13 48 D C S 76.15 3.27 19.96 23.18 131.08 35.69 -130.28 151.43 98.91 0.66 0.44 32.72 65.72 0.48 0.34 0.07 0.00 0.12 0.56 49 T H H 47.09 17.06 12.70 29.32 91.83 -119.50 -61.30 -36.54 4.07 0.01 95.92 0.66 0.94 2.31 95.35 0.74 0.00 0.00 0.00 50 T H H 84.78 3.72 20.26 24.36 91.82 55.16 -63.59 -41.41 2.20 0.00 97.79 0.21 0.20 1.63 97.19 0.76 0.00 0.00 0.00 51 E H H 88.11 4.09 21.68 25.77 91.99 48.38 -65.85 -40.29 0.78 0.00 99.22 0.13 0.06 0.49 98.71 0.60 0.00 0.00 0.00 52 A H H 4.85 20.44 14.78 36.07 91.11 51.50 -62.50 -43.55 0.20 0.00 99.80 0.04 0.01 0.10 99.76 0.08 0.00 0.00 0.00 53 F H H 52.97 15.74 20.51 35.69 91.69 50.35 -63.19 -42.29 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 54 E H H 111.74 2.58 25.56 27.25 91.48 50.10 -63.75 -41.67 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 55 K H H 67.32 11.32 22.45 33.77 91.89 49.29 -65.46 -40.78 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 56 M H H 9.98 23.79 18.72 42.35 91.52 50.56 -63.79 -42.63 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 57 V H H 52.40 10.95 23.26 34.32 91.51 50.16 -63.14 -42.18 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 58 S H H 53.70 3.61 25.48 28.69 91.39 50.71 -63.75 -41.93 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 59 L H H 18.83 18.58 20.51 39.02 91.51 50.07 -64.14 -42.82 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 60 L H H 22.08 20.23 20.23 39.72 91.18 50.42 -63.42 -41.77 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 61 S H H 54.67 4.82 23.71 28.58 91.44 51.91 -63.47 -41.65 0.17 0.00 99.83 0.01 0.00 0.11 99.80 0.07 0.00 0.00 0.00 62 V H H 51.16 8.19 21.67 30.59 91.69 49.92 -64.27 -42.61 0.29 0.00 99.71 0.02 0.01 0.21 99.50 0.26 0.00 0.00 0.00 63 L H H 13.75 21.53 16.47 37.92 91.62 49.38 -64.59 -41.09 0.87 0.00 99.13 0.04 0.04 0.72 98.54 0.66 0.00 0.00 0.00 64 L H H 64.41 12.72 17.92 30.71 91.31 53.05 -66.38 -31.70 9.57 0.01 90.42 0.29 0.37 8.90 89.12 1.32 0.01 0.00 0.00 65 S H H 79.22 2.22 19.63 21.45 93.28 56.43 -80.32 -14.14 42.24 0.12 57.63 2.85 2.90 35.36 56.73 2.00 0.02 0.05 0.08 66 M C C 67.17 13.23 11.74 25.21 105.90 83.94 -81.29 91.03 67.41 1.63 30.96 27.75 18.61 21.52 26.91 3.61 0.04 0.59 0.97 67 Q C C 115.97 6.15 13.74 21.35 107.02 -150.76 -81.10 102.49 77.28 2.55 20.17 43.56 10.27 23.22 15.36 4.93 0.01 1.19 1.46 68 G C T 45.17 5.51 13.03 20.00 117.86 112.52 -101.02 -14.26 84.82 1.39 13.80 27.43 22.29 36.05 7.16 5.66 0.01 0.64 0.76 69 A C C 86.72 2.72 14.42 18.01 100.40 -71.30 -84.03 -0.95 84.56 3.18 12.26 39.88 22.61 22.68 6.58 5.27 0.01 1.73 1.24 70 V C C 57.49 11.92 10.73 23.31 118.64 96.94 -98.01 138.57 79.94 10.00 10.06 42.34 32.48 5.85 7.74 2.55 0.06 4.50 4.48 71 D C C 83.68 4.56 18.51 23.66 104.13 -125.49 -81.87 93.69 89.18 3.58 7.24 82.40 3.04 3.65 6.25 1.26 0.00 2.12 1.28 72 I H H 39.61 18.12 12.04 30.00 94.62 172.68 -69.23 -31.50 14.24 0.13 85.62 11.15 1.47 2.46 83.53 1.29 0.00 0.06 0.05 73 N H H 91.02 5.77 17.52 24.37 91.93 60.81 -62.68 -40.49 2.72 0.01 97.27 0.77 0.31 1.50 95.99 1.42 0.00 0.01 0.00 74 K H H 118.86 2.13 20.30 21.46 92.19 50.21 -65.80 -40.44 1.45 0.01 98.54 0.37 0.14 0.86 97.20 1.41 0.00 0.00 0.00 75 L H H 37.13 11.56 16.25 29.10 91.93 50.34 -64.48 -42.45 0.89 0.01 99.11 0.23 0.09 0.48 98.24 0.95 0.00 0.00 0.00 76 C H H 26.68 13.88 15.26 30.04 91.97 50.53 -63.67 -42.20 0.75 0.01 99.24 0.19 0.07 0.39 98.95 0.39 0.00 0.00 0.00 77 E H H 101.68 2.99 19.09 22.03 91.81 51.01 -63.85 -41.02 0.98 0.01 99.01 0.19 0.08 0.60 98.59 0.54 0.00 0.00 0.00 78 E H H 97.00 3.34 18.58 21.99 92.03 50.09 -65.25 -40.89 1.75 0.01 98.24 0.25 0.13 1.22 97.60 0.79 0.00 0.00 0.00 79 M H H 48.87 12.79 14.35 27.80 92.26 49.70 -65.84 -40.97 3.97 0.02 96.01 0.51 0.34 2.87 95.30 0.97 0.01 0.01 0.00 80 L H H 69.77 8.82 14.50 24.36 92.82 49.54 -67.62 -35.39 15.90 0.12 83.99 3.06 1.89 10.85 82.58 1.48 0.02 0.04 0.07 81 D H H 103.12 1.82 15.90 17.54 94.50 53.76 -73.15 -27.03 40.95 0.30 58.75 8.19 6.51 25.83 57.32 1.83 0.03 0.11 0.17 82 N C H 83.86 5.53 11.82 18.78 100.00 55.63 -85.00 4.80 63.04 0.65 36.30 27.05 12.20 23.36 33.86 2.90 0.01 0.25 0.36 83 R C H 126.87 6.73 11.04 19.15 97.53 92.59 -71.26 -26.06 50.51 1.31 48.18 27.83 8.69 14.59 33.77 13.78 0.02 0.67 0.64 84 A C H 72.93 3.28 11.02 15.75 98.11 68.32 -74.51 -21.50 52.17 1.88 45.95 24.25 9.33 18.71 28.00 17.78 0.05 1.11 0.76 85 T C C 94.46 3.02 9.91 14.40 101.81 64.09 -83.51 -0.61 53.31 4.14 42.55 26.71 9.55 18.01 24.31 17.28 0.10 2.57 1.45 86 L C C 107.21 4.92 7.80 14.26 105.68 76.48 -84.91 47.17 69.00 3.24 27.76 54.86 2.67 12.89 18.48 7.65 0.00 2.02 1.43 87 Q C C 133.64 2.63 11.68 15.87 106.62 -156.88 -87.09 78.44 99.94 0.04 0.02 99.87 0.05 0.04 0.01 0.00 0.00 0.02 0.00