# 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 92.24 8.65 11.75 21.45 117.25 -157.51 -91.65 142.51 99.95 0.02 0.02 99.89 0.06 0.03 0.02 0.00 0.00 0.01 0.00 1 S C C 64.99 3.36 13.40 17.78 113.74 -114.88 -77.78 157.09 85.41 0.45 14.13 82.40 0.70 1.98 14.11 0.42 0.00 0.13 0.26 2 K H H 127.34 5.71 12.47 19.60 94.49 -109.58 -63.28 -36.17 15.13 0.12 84.75 6.59 3.01 5.77 83.03 1.48 0.01 0.04 0.06 3 M H H 85.03 8.57 13.60 23.20 92.85 53.11 -65.94 -39.41 8.09 0.06 91.85 2.81 1.36 3.97 90.15 1.66 0.01 0.02 0.03 4 S H H 54.53 3.72 17.16 21.48 92.14 51.45 -65.12 -40.51 5.63 0.06 94.30 2.52 0.89 2.41 92.47 1.65 0.00 0.03 0.03 5 D H H 64.99 6.35 18.22 25.33 92.03 50.86 -65.02 -40.46 3.82 0.04 96.13 1.85 0.61 1.49 95.29 0.72 0.00 0.02 0.02 6 V H H 30.08 15.39 16.40 32.28 91.91 49.79 -64.16 -42.29 1.49 0.01 98.50 0.55 0.19 0.68 98.30 0.27 0.00 0.00 0.00 7 K H H 95.17 8.91 21.13 30.38 91.77 51.17 -63.30 -41.75 1.19 0.01 98.80 0.39 0.12 0.60 98.66 0.22 0.00 0.00 0.00 8 C H H 64.49 3.99 23.38 26.72 91.80 49.76 -64.01 -42.21 1.32 0.01 98.67 0.37 0.13 0.71 98.61 0.17 0.00 0.00 0.00 9 T H H 37.06 11.30 21.77 33.43 91.92 49.91 -64.88 -41.58 0.70 0.00 99.30 0.21 0.07 0.34 99.32 0.07 0.00 0.00 0.00 10 S H H 15.87 18.54 18.85 37.45 91.87 51.35 -63.94 -41.58 0.35 0.00 99.64 0.07 0.03 0.18 99.68 0.04 0.00 0.00 0.00 11 V H H 69.75 6.53 23.73 30.64 91.63 50.16 -63.93 -42.35 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 12 V H H 69.52 5.39 24.59 29.75 91.57 49.57 -63.88 -43.03 0.09 0.00 99.91 0.01 0.01 0.06 99.91 0.02 0.00 0.00 0.00 13 L H H 26.67 18.00 20.53 38.36 91.42 49.07 -64.03 -42.79 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 14 L H H 35.37 15.86 19.75 35.49 91.44 50.29 -63.26 -41.34 0.18 0.00 99.82 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 15 S H H 56.02 3.43 23.78 26.72 91.42 51.12 -64.25 -41.50 0.57 0.00 99.43 0.04 0.02 0.41 99.48 0.06 0.00 0.00 0.00 16 V H H 43.91 9.16 20.53 30.56 91.91 49.82 -64.51 -42.43 0.65 0.00 99.35 0.05 0.04 0.47 99.25 0.19 0.00 0.00 0.00 17 L H H 13.79 19.48 14.62 34.63 91.85 50.16 -64.20 -41.25 0.92 0.00 99.08 0.11 0.06 0.62 98.66 0.54 0.00 0.00 0.00 18 Q H H 95.55 6.43 17.94 25.35 91.78 51.74 -63.91 -40.25 3.04 0.00 96.96 0.23 0.16 2.48 96.05 1.07 0.00 0.00 0.00 19 Q H H 125.83 1.99 18.13 19.81 91.13 52.88 -65.89 -31.35 9.57 0.01 90.42 0.30 0.38 9.04 89.27 0.99 0.01 0.00 0.01 20 L C T 60.13 10.77 13.08 25.04 94.25 52.25 -85.35 -2.64 71.32 0.08 28.60 1.25 3.14 65.71 28.18 1.60 0.01 0.03 0.08 21 R C T 172.69 2.22 18.61 21.09 95.41 -118.85 59.47 36.95 90.89 0.13 8.98 7.78 2.64 80.16 8.14 1.15 0.00 0.06 0.07 22 V C C 33.88 16.25 10.20 26.30 102.20 142.97 -89.27 12.94 80.11 1.85 18.04 69.34 4.96 6.45 11.59 5.65 0.00 0.97 1.04 23 E C C 119.65 5.32 15.23 21.94 98.27 98.38 -72.74 -26.28 74.03 1.68 24.28 47.72 10.92 15.44 12.73 11.40 0.01 0.86 0.92 24 S C C 84.29 2.31 15.80 18.49 97.30 57.23 -81.85 -6.62 73.66 1.61 24.73 26.25 23.45 24.90 11.37 12.31 0.03 0.72 0.96 25 S C C 44.62 10.79 10.81 22.34 106.72 81.58 -97.89 63.23 80.65 1.15 18.21 46.32 19.86 14.80 9.73 8.07 0.00 0.47 0.73 26 S H H 73.80 3.58 14.67 19.57 96.04 141.00 -67.85 -36.78 40.32 0.37 59.31 18.87 16.73 4.54 58.28 1.28 0.01 0.10 0.19 27 K H H 143.28 1.61 18.05 19.04 92.80 53.20 -65.57 -39.41 4.82 0.02 95.16 1.20 0.87 2.56 94.56 0.79 0.00 0.01 0.01 28 L H H 33.25 15.10 14.62 30.10 92.53 49.20 -65.62 -41.48 2.11 0.01 97.88 0.59 0.25 1.13 97.37 0.65 0.00 0.01 0.00 29 W H H 77.42 13.42 16.09 29.80 91.84 51.59 -63.15 -41.81 0.63 0.00 99.37 0.19 0.06 0.29 99.10 0.35 0.00 0.00 0.00 30 A H H 58.75 2.32 22.53 23.49 91.56 50.56 -63.65 -41.23 0.29 0.00 99.71 0.06 0.02 0.15 99.68 0.10 0.00 0.00 0.00 31 Q H H 72.23 8.12 21.32 29.92 91.95 49.93 -65.18 -41.19 0.27 0.00 99.73 0.04 0.01 0.16 99.72 0.06 0.00 0.00 0.00 32 C H H 7.79 22.10 15.71 38.03 91.60 50.54 -64.04 -42.56 0.22 0.00 99.78 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 33 V H H 64.31 7.38 22.29 30.06 91.54 50.38 -63.64 -42.24 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 34 Q H H 106.21 2.13 25.11 25.77 91.56 50.08 -64.03 -41.88 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 35 L H H 19.21 16.70 18.97 36.10 91.87 49.57 -64.52 -42.42 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 36 H H H 41.77 18.06 18.90 36.28 91.38 51.83 -62.01 -42.62 0.21 0.00 99.79 0.01 0.01 0.13 99.80 0.04 0.00 0.00 0.00 37 N H H 88.13 2.83 23.90 25.83 91.59 50.11 -64.14 -40.55 0.45 0.00 99.55 0.03 0.02 0.34 99.51 0.11 0.00 0.00 0.00 38 D H H 63.11 6.51 21.72 28.73 91.86 49.53 -65.72 -39.80 0.86 0.00 99.14 0.06 0.04 0.70 98.74 0.47 0.00 0.00 0.00 39 I H H 12.06 22.25 14.13 36.40 91.72 50.82 -64.51 -41.28 1.42 0.00 98.58 0.05 0.06 1.26 96.73 1.89 0.00 0.00 0.00 40 L H H 81.02 9.95 18.66 29.03 91.37 52.60 -67.54 -28.86 9.49 0.00 90.51 0.17 0.29 9.50 88.38 1.64 0.01 0.00 0.00 41 L H H 121.03 1.67 20.49 20.89 93.81 51.55 -86.51 -9.55 43.29 0.04 56.66 1.21 1.98 39.33 55.51 1.91 0.01 0.01 0.04 42 A C C 21.58 16.91 7.64 23.99 117.56 108.25 -73.95 143.23 98.06 0.44 1.51 90.84 5.13 1.90 1.36 0.21 0.00 0.12 0.43 43 K C S 170.80 0.93 17.29 17.17 96.93 -159.61 -90.57 -20.22 99.57 0.19 0.24 35.88 62.64 1.11 0.14 0.07 0.00 0.05 0.12 44 D C S 77.26 3.08 19.54 22.53 130.74 33.88 -131.19 150.47 98.98 0.62 0.40 34.19 64.34 0.46 0.30 0.06 0.00 0.11 0.53 45 T H H 49.68 16.49 12.45 28.52 91.95 -121.00 -61.40 -36.48 3.98 0.01 96.01 0.64 0.91 2.25 95.44 0.75 0.00 0.00 0.00 46 T H H 86.62 3.27 19.97 23.51 91.90 55.23 -63.50 -41.45 2.15 0.00 97.85 0.21 0.20 1.58 97.23 0.78 0.00 0.00 0.00 47 E H H 88.66 3.96 21.32 25.27 91.98 48.48 -65.75 -40.27 0.75 0.00 99.25 0.12 0.06 0.48 98.73 0.62 0.00 0.00 0.00 48 A H H 5.23 20.04 14.44 35.36 91.11 51.42 -62.51 -43.53 0.20 0.00 99.80 0.03 0.01 0.10 99.76 0.09 0.00 0.00 0.00 49 F H H 56.41 15.05 20.29 34.93 91.77 50.35 -63.29 -42.23 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.02 0.00 0.00 0.00 50 E H H 112.80 2.41 25.33 26.68 91.51 50.11 -63.76 -41.63 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 51 K H H 69.27 10.95 22.19 33.19 91.94 49.27 -65.28 -40.85 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 52 M H H 11.56 23.26 18.42 41.46 91.52 50.52 -63.56 -42.64 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 53 V H H 55.21 10.19 23.02 33.43 91.56 50.10 -63.24 -42.22 0.04 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 S H H 54.61 3.39 25.16 27.98 91.37 50.67 -63.73 -41.92 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 55 L H H 21.00 17.85 20.23 38.08 91.51 50.06 -64.20 -42.66 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 56 L H H 24.49 19.67 19.88 38.81 91.26 50.45 -63.36 -41.69 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.03 0.00 0.00 0.00 57 S H H 55.57 4.46 23.41 27.84 91.41 51.81 -63.44 -41.61 0.17 0.00 99.83 0.01 0.00 0.11 99.79 0.09 0.00 0.00 0.00 58 V H H 54.54 7.46 21.44 29.61 91.65 49.93 -64.19 -42.68 0.30 0.00 99.70 0.02 0.01 0.22 99.46 0.30 0.00 0.00 0.00 59 L H H 15.93 20.70 16.22 36.84 91.74 49.34 -64.67 -41.14 0.87 0.00 99.13 0.04 0.04 0.72 98.49 0.71 0.00 0.00 0.00 60 L H H 66.19 12.20 17.53 29.93 91.32 53.16 -66.37 -31.22 9.67 0.01 90.32 0.30 0.38 8.97 88.96 1.37 0.01 0.00 0.00 61 S H H 80.19 2.05 19.15 20.70 93.13 56.47 -80.32 -13.87 43.22 0.13 56.66 3.03 2.94 36.07 55.78 2.03 0.02 0.05 0.08 62 M C C 71.04 12.43 11.52 24.35 106.08 83.53 -81.26 91.64 67.60 1.56 30.85 27.05 18.85 22.04 27.01 3.51 0.04 0.57 0.92 63 Q C C 117.93 5.65 13.39 20.58 107.54 -147.55 -81.34 98.21 77.73 2.38 19.89 43.38 10.50 23.65 15.23 4.75 0.01 1.09 1.38 64 G C T 45.06 5.31 12.66 19.50 118.33 118.82 -102.23 166.58 85.68 1.25 13.07 28.24 22.25 36.08 6.82 5.34 0.01 0.57 0.70 65 A C C 87.91 2.43 14.01 17.29 99.96 -73.84 -83.42 -2.85 85.39 2.72 11.89 39.35 23.76 22.87 6.29 5.16 0.01 1.42 1.14 66 V C C 61.29 10.82 10.65 22.37 118.88 94.94 -98.06 139.13 80.42 9.09 10.48 40.65 33.97 6.51 7.94 2.70 0.06 3.98 4.18 67 D C C 84.79 4.43 17.94 23.01 103.62 -123.91 -81.14 89.44 89.17 3.21 7.62 81.35 3.40 4.21 6.57 1.37 0.00 1.84 1.25 68 I H H 42.39 17.15 11.86 28.93 94.73 171.09 -69.32 -31.03 15.95 0.15 83.90 12.65 1.55 2.55 81.83 1.30 0.00 0.06 0.06 69 N H H 90.74 5.56 17.14 23.84 91.92 61.36 -62.61 -40.52 2.82 0.01 97.17 0.81 0.32 1.54 95.92 1.39 0.00 0.01 0.00 70 K H H 119.89 2.05 19.87 20.97 92.18 50.28 -65.92 -40.44 1.44 0.01 98.55 0.35 0.14 0.86 97.24 1.40 0.00 0.01 0.00 71 L H H 41.49 10.56 16.08 28.06 91.86 50.25 -64.67 -42.40 0.89 0.00 99.11 0.22 0.08 0.49 98.19 1.00 0.00 0.00 0.00 72 C H H 29.06 12.95 14.99 28.98 91.97 50.42 -63.88 -42.17 0.76 0.01 99.23 0.19 0.07 0.40 98.91 0.43 0.00 0.00 0.00 73 E H H 101.34 2.97 18.54 21.56 91.87 50.98 -63.77 -41.01 1.01 0.01 98.98 0.19 0.08 0.63 98.49 0.61 0.00 0.00 0.00 74 E H H 98.85 3.07 18.17 21.25 92.08 50.19 -65.35 -41.00 1.89 0.01 98.10 0.26 0.14 1.34 97.39 0.86 0.00 0.00 0.00 75 M H H 54.80 11.53 14.19 26.59 92.41 49.66 -65.81 -40.59 4.36 0.02 95.63 0.54 0.38 3.19 94.80 1.07 0.01 0.01 0.01 76 L H H 72.78 8.11 14.07 23.34 93.18 49.69 -68.21 -34.88 17.11 0.12 82.76 3.32 2.05 11.67 81.19 1.62 0.03 0.05 0.07 77 D H H 102.43 1.87 15.28 17.16 95.10 54.23 -73.01 -27.48 42.10 0.31 57.59 8.62 6.44 26.63 56.04 1.94 0.03 0.12 0.18 78 N C H 87.65 5.05 11.54 18.02 100.33 57.78 -84.25 3.38 62.94 0.68 36.37 27.30 12.10 23.06 33.94 2.95 0.01 0.27 0.37 79 R C H 130.79 6.10 10.80 18.35 98.09 90.68 -72.60 -24.50 52.73 1.53 45.75 30.53 9.13 13.70 33.31 11.81 0.02 0.79 0.72 80 A C H 73.55 3.31 10.48 15.32 99.14 70.85 -75.36 -19.48 54.51 2.24 43.26 27.28 9.96 17.54 27.29 15.70 0.04 1.34 0.86 81 T C C 97.43 2.70 9.46 13.63 103.02 66.75 -84.44 4.27 55.62 4.70 39.69 28.98 10.03 17.58 23.24 15.55 0.09 2.94 1.59 82 L C C 112.02 4.17 7.60 13.43 106.01 86.51 -85.12 54.53 70.54 3.41 26.05 56.68 2.58 12.61 17.48 7.02 0.00 2.16 1.47 83 Q C C 134.31 2.56 11.34 15.46 106.79 -155.16 -87.28 87.98 99.94 0.04 0.02 99.87 0.05 0.04 0.01 0.00 0.00 0.02 0.00