# 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 S C C 64.88 4.84 15.29 20.92 106.70 -126.26 -78.78 116.18 99.88 0.02 0.10 99.79 0.06 0.06 0.08 0.00 0.00 0.00 0.00 1 K H H 122.49 5.45 13.15 19.70 95.65 57.37 -68.88 -32.96 32.05 0.24 67.71 24.06 1.43 6.07 66.79 1.42 0.00 0.09 0.12 2 M H H 89.06 8.33 12.72 22.05 93.79 57.69 -66.23 -38.41 17.80 0.16 82.04 8.73 2.89 6.45 79.90 1.89 0.01 0.07 0.07 3 S H H 61.55 3.20 16.66 20.31 92.94 52.55 -65.18 -39.90 12.23 0.14 87.63 6.80 1.86 4.11 85.03 2.06 0.00 0.06 0.06 4 D H H 73.92 5.26 17.88 23.68 92.60 50.95 -65.68 -39.83 7.37 0.10 92.52 4.15 1.24 2.43 90.67 1.43 0.00 0.05 0.04 5 V H H 33.59 14.83 15.66 31.02 92.21 50.07 -64.76 -42.14 2.84 0.03 97.13 1.29 0.42 1.17 96.54 0.56 0.00 0.01 0.01 6 K H H 96.43 8.66 20.48 29.51 91.83 51.54 -63.63 -41.54 2.09 0.03 97.88 0.82 0.25 0.97 97.54 0.40 0.00 0.01 0.01 7 C H H 65.18 3.69 22.92 25.99 91.99 49.96 -64.02 -42.25 1.96 0.01 98.02 0.69 0.22 0.96 97.84 0.28 0.00 0.00 0.01 8 T H H 38.30 10.91 21.48 32.74 91.94 50.03 -64.65 -41.49 0.94 0.01 99.06 0.34 0.10 0.42 99.04 0.10 0.00 0.00 0.00 9 S H H 17.06 18.16 18.74 37.07 91.99 51.27 -64.12 -41.71 0.42 0.00 99.57 0.10 0.04 0.21 99.61 0.05 0.00 0.00 0.00 10 V H H 69.97 6.43 23.58 30.47 91.68 50.29 -63.94 -42.44 0.15 0.00 99.85 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 11 V H H 69.91 5.28 24.50 29.57 91.60 49.48 -63.91 -43.01 0.11 0.00 99.89 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 12 L H H 28.01 17.63 20.55 38.10 91.53 49.15 -63.78 -42.85 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 13 L H H 34.58 15.86 19.68 35.47 91.56 50.19 -63.34 -41.34 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 14 S H H 56.09 3.44 23.74 26.76 91.44 51.24 -64.19 -41.43 0.55 0.00 99.45 0.04 0.02 0.39 99.49 0.05 0.00 0.00 0.00 15 V H H 44.57 9.02 20.59 30.45 91.94 49.84 -64.48 -42.47 0.62 0.00 99.38 0.05 0.04 0.45 99.29 0.18 0.00 0.00 0.00 16 L H H 14.82 19.29 14.65 34.59 91.76 50.12 -64.16 -41.24 0.85 0.00 99.15 0.10 0.06 0.58 98.76 0.50 0.00 0.00 0.00 17 Q H H 94.40 6.59 17.92 25.46 91.77 51.77 -63.86 -40.41 2.66 0.00 97.33 0.20 0.14 2.17 96.48 1.00 0.00 0.00 0.00 18 Q H H 125.35 2.04 18.22 19.98 91.12 52.88 -65.77 -31.33 8.88 0.01 91.11 0.25 0.33 8.50 89.97 0.92 0.01 0.00 0.00 19 L C T 60.32 10.72 13.17 25.11 94.11 52.12 -85.82 -2.51 72.79 0.06 27.15 1.00 2.71 68.05 26.72 1.44 0.01 0.02 0.07 20 R C T 172.15 2.25 18.73 21.24 95.31 -118.00 59.96 36.56 91.69 0.10 8.21 6.19 2.36 82.83 7.53 0.98 0.00 0.04 0.06 21 V C C 32.66 16.42 10.26 26.56 102.16 141.53 -89.83 14.75 81.80 1.70 16.49 71.36 4.91 6.20 10.58 5.08 0.00 0.86 1.00 22 E C C 117.35 5.73 15.14 22.22 97.93 99.49 -72.73 -24.71 75.80 1.56 22.65 50.06 10.51 15.29 11.49 10.96 0.01 0.78 0.88 23 S C T 85.00 2.22 15.79 18.36 97.20 58.73 -81.69 -8.17 75.47 1.42 23.11 25.06 23.91 27.48 9.96 12.05 0.02 0.63 0.89 24 S C C 46.68 10.39 10.99 22.20 106.21 78.14 -97.92 54.46 81.93 1.07 17.00 42.97 21.80 17.58 8.21 8.28 0.00 0.44 0.72 25 S H H 72.02 3.94 14.57 19.85 96.81 132.88 -67.97 -37.81 48.18 0.47 51.34 21.13 22.12 4.55 50.56 1.26 0.01 0.12 0.27 26 K H H 144.24 1.62 18.11 19.11 93.01 53.11 -65.51 -39.29 4.94 0.02 95.04 1.16 0.90 2.68 94.46 0.77 0.00 0.01 0.01 27 L H H 33.21 15.20 14.76 30.30 92.54 49.36 -65.59 -41.51 2.12 0.01 97.86 0.55 0.25 1.17 97.39 0.63 0.00 0.01 0.00 28 W H H 74.42 13.71 16.10 30.08 91.83 51.56 -63.24 -41.86 0.58 0.00 99.41 0.17 0.06 0.28 99.15 0.34 0.00 0.00 0.00 29 A H H 58.43 2.38 22.64 23.73 91.56 50.61 -63.58 -41.23 0.26 0.00 99.74 0.06 0.02 0.13 99.70 0.09 0.00 0.00 0.00 30 Q H H 71.39 8.28 21.48 30.21 91.95 49.94 -65.15 -41.23 0.26 0.00 99.74 0.04 0.01 0.15 99.73 0.06 0.00 0.00 0.00 31 C H H 7.37 22.35 15.85 38.45 91.52 50.52 -64.08 -42.57 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 32 V H H 63.19 7.73 22.39 30.49 91.55 50.39 -63.58 -42.24 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.02 0.00 0.00 0.00 33 Q H H 105.85 2.18 25.28 26.03 91.54 50.09 -64.00 -41.86 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 34 L H H 18.40 16.96 19.12 36.48 91.86 49.58 -64.50 -42.49 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 35 H H H 40.16 18.37 19.03 36.69 91.32 51.78 -62.05 -42.65 0.20 0.00 99.80 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 36 N H H 87.49 2.97 24.06 26.22 91.58 50.03 -64.18 -40.54 0.44 0.00 99.56 0.03 0.02 0.33 99.52 0.10 0.00 0.00 0.00 37 D H H 62.41 6.67 21.92 29.09 91.85 49.51 -65.64 -39.90 0.83 0.00 99.17 0.05 0.04 0.68 98.77 0.46 0.00 0.00 0.00 38 I H H 11.23 22.54 14.31 36.89 91.63 50.53 -64.44 -41.36 1.38 0.00 98.62 0.05 0.06 1.23 96.77 1.88 0.00 0.00 0.00 39 L H H 78.85 10.36 18.78 29.50 91.26 52.55 -67.57 -29.10 9.47 0.00 90.53 0.17 0.28 9.52 88.38 1.64 0.01 0.00 0.00 40 L H H 120.27 1.73 20.68 21.23 93.82 51.65 -86.59 -9.49 43.34 0.04 56.61 1.18 1.95 39.47 55.43 1.92 0.01 0.01 0.04 41 A C C 21.12 17.09 7.70 24.21 117.58 108.42 -73.68 143.24 98.04 0.45 1.51 90.85 5.13 1.88 1.36 0.22 0.00 0.12 0.45 42 K C S 170.58 0.95 17.40 17.31 96.85 -159.09 -89.83 -20.69 99.55 0.18 0.27 34.09 64.37 1.14 0.15 0.08 0.00 0.05 0.11 43 D C S 77.03 3.12 19.67 22.70 130.88 33.59 -131.44 150.40 98.98 0.60 0.42 33.97 64.54 0.48 0.32 0.07 0.00 0.11 0.51 44 T H H 48.85 16.69 12.48 28.75 91.88 -121.26 -61.50 -36.48 4.06 0.01 95.93 0.67 0.93 2.27 95.35 0.77 0.00 0.00 0.00 45 T H H 86.31 3.36 20.07 23.74 91.85 55.30 -63.51 -41.46 2.16 0.00 97.83 0.21 0.20 1.58 97.21 0.79 0.00 0.00 0.00 46 E H H 88.39 4.01 21.45 25.45 91.98 48.47 -65.74 -40.26 0.76 0.00 99.24 0.12 0.06 0.48 98.71 0.62 0.00 0.00 0.00 47 A H H 5.02 20.24 14.55 35.66 91.10 51.42 -62.40 -43.52 0.20 0.00 99.80 0.03 0.01 0.10 99.76 0.09 0.00 0.00 0.00 48 F H H 54.80 15.36 20.38 35.27 91.75 50.32 -63.25 -42.27 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.02 0.00 0.00 0.00 49 E H H 112.53 2.48 25.44 26.93 91.50 50.10 -63.78 -41.64 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 K H H 68.71 11.08 22.33 33.44 91.90 49.22 -65.39 -40.80 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 51 M H H 10.63 23.56 18.53 41.91 91.46 50.53 -63.66 -42.67 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 52 V H H 53.63 10.64 23.11 33.90 91.54 50.14 -63.21 -42.20 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 53 S H H 54.29 3.46 25.35 28.30 91.38 50.69 -63.68 -41.92 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 54 L H H 20.02 18.15 20.39 38.52 91.50 50.05 -64.14 -42.74 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 55 L H H 22.92 20.03 20.02 39.31 91.19 50.49 -63.30 -41.72 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 56 S H H 55.11 4.65 23.57 28.24 91.39 51.84 -63.41 -41.62 0.17 0.00 99.83 0.01 0.00 0.11 99.79 0.08 0.00 0.00 0.00 57 V H H 53.47 7.69 21.59 30.01 91.66 49.91 -64.20 -42.71 0.30 0.00 99.70 0.02 0.01 0.22 99.46 0.29 0.00 0.00 0.00 58 L H H 14.89 21.07 16.36 37.34 91.69 49.38 -64.68 -41.11 0.87 0.00 99.12 0.04 0.04 0.72 98.49 0.70 0.00 0.00 0.00 59 L H H 64.86 12.52 17.66 30.33 91.31 53.04 -66.37 -31.32 9.70 0.01 90.29 0.31 0.38 9.00 88.93 1.36 0.01 0.00 0.00 60 S H H 79.88 2.11 19.36 21.00 93.19 56.58 -80.41 -13.87 43.54 0.13 56.33 3.05 2.95 36.33 55.47 2.03 0.02 0.05 0.09 61 M C C 69.67 12.74 11.57 24.64 106.41 83.68 -81.20 90.72 67.99 1.58 30.43 27.77 18.99 21.56 26.57 3.55 0.04 0.58 0.94 62 Q C C 117.94 5.69 13.55 20.77 107.29 -146.26 -80.97 99.34 77.59 2.42 20.00 43.54 10.39 23.45 15.20 4.88 0.01 1.12 1.40 63 G C T 45.08 5.35 12.86 19.70 118.13 107.81 -101.29 166.43 85.13 1.30 13.58 27.79 22.21 36.05 7.08 5.56 0.01 0.59 0.72 64 A C C 86.95 2.61 14.14 17.67 100.32 -72.42 -83.90 -1.75 84.74 2.88 12.37 39.88 22.89 22.56 6.65 5.31 0.01 1.53 1.18 65 V C C 59.94 11.25 10.73 22.78 118.97 97.23 -98.67 138.75 79.86 9.45 10.69 41.70 32.56 6.32 8.20 2.69 0.06 4.19 4.29 66 D C C 84.42 4.49 18.17 23.30 103.48 -124.71 -81.69 89.42 88.80 3.36 7.84 81.10 3.36 4.13 6.83 1.37 0.00 1.95 1.27 67 I H H 41.01 17.51 11.97 29.40 94.74 171.40 -69.41 -31.06 16.47 0.16 83.37 13.11 1.59 2.59 81.25 1.34 0.00 0.06 0.06 68 N H H 90.10 5.78 17.25 24.14 91.90 61.40 -62.57 -40.57 2.89 0.02 97.10 0.85 0.33 1.56 95.81 1.43 0.00 0.01 0.00 69 K H H 119.72 2.07 20.02 21.13 92.18 50.24 -65.84 -40.44 1.47 0.01 98.52 0.36 0.15 0.87 97.17 1.44 0.00 0.01 0.00 70 L H H 40.53 10.87 16.19 28.41 91.89 50.28 -64.66 -42.50 0.91 0.01 99.08 0.23 0.09 0.51 98.14 1.03 0.00 0.00 0.00 71 C H H 28.08 13.37 15.05 29.40 92.02 50.43 -63.79 -42.18 0.78 0.01 99.21 0.20 0.07 0.41 98.88 0.44 0.00 0.00 0.00 72 E H H 101.25 3.02 18.70 21.76 91.88 50.98 -63.77 -41.01 1.03 0.01 98.96 0.20 0.08 0.64 98.45 0.63 0.00 0.00 0.00 73 E H H 98.71 3.11 18.32 21.44 92.08 50.19 -65.36 -41.00 1.92 0.01 98.08 0.26 0.14 1.36 97.35 0.88 0.00 0.00 0.00 74 M H H 53.30 11.90 14.26 26.96 92.38 49.62 -65.89 -40.63 4.39 0.02 95.60 0.56 0.38 3.20 94.76 1.08 0.01 0.01 0.00 75 L H H 71.48 8.45 14.15 23.72 93.12 49.75 -68.07 -34.85 17.09 0.13 82.78 3.36 2.05 11.61 81.20 1.64 0.03 0.05 0.07 76 D H H 102.52 1.89 15.41 17.29 95.13 54.42 -73.18 -27.15 41.95 0.32 57.73 8.71 6.42 26.43 56.15 1.96 0.03 0.12 0.18 77 N C H 87.38 5.14 11.60 18.16 100.26 57.66 -84.18 2.65 62.71 0.69 36.60 27.28 11.94 23.04 34.12 2.97 0.01 0.27 0.37 78 R C H 130.15 6.23 10.83 18.49 98.19 91.98 -72.74 -24.58 52.90 1.55 45.54 30.94 9.09 13.49 33.43 11.50 0.02 0.80 0.73 79 A C C 73.50 3.35 10.52 15.39 99.15 71.06 -75.49 -19.40 54.80 2.27 42.93 27.78 10.01 17.31 27.39 15.25 0.04 1.36 0.87 80 T C C 97.28 2.75 9.50 13.73 103.03 67.04 -84.82 4.80 55.82 4.76 39.42 29.38 10.03 17.38 23.38 15.14 0.09 2.98 1.61 81 L C C 111.63 4.26 7.63 13.53 106.13 89.71 -85.14 60.01 70.93 3.40 25.67 57.27 2.55 12.39 17.42 6.75 0.00 2.16 1.46 82 Q C C 134.30 2.56 11.37 15.51 106.89 -154.95 -87.42 89.41 99.94 0.04 0.02 99.87 0.05 0.04 0.01 0.00 0.00 0.02 0.00