# 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 A C C 42.41 11.09 14.34 25.98 103.83 -111.85 -74.77 72.66 99.79 0.03 0.19 99.69 0.07 0.09 0.14 0.01 0.00 0.01 0.00 1 A H H 60.95 3.95 14.62 19.49 96.77 89.62 -67.57 -37.05 36.29 0.16 63.55 30.47 1.01 4.52 62.78 1.09 0.00 0.06 0.08 2 F H H 92.15 6.42 13.60 21.49 94.92 56.16 -66.77 -38.84 10.71 0.10 89.19 4.77 1.82 4.59 86.24 2.48 0.01 0.05 0.04 3 V H H 39.52 14.02 11.75 26.04 93.17 52.22 -66.19 -39.40 5.17 0.07 94.76 2.24 0.78 2.30 91.32 3.29 0.00 0.04 0.02 4 K H H 119.75 3.82 15.81 20.66 92.43 51.52 -65.22 -38.88 4.24 0.05 95.71 1.51 0.60 2.11 92.17 3.56 0.00 0.03 0.01 5 E H H 114.31 2.06 17.58 19.10 93.06 50.72 -67.44 -38.80 10.34 0.05 89.61 1.54 1.15 7.40 87.65 2.20 0.01 0.02 0.03 6 N H H 47.39 11.06 14.89 26.99 94.80 44.05 -77.36 -25.64 33.79 0.08 66.12 5.63 2.28 24.39 66.09 1.53 0.01 0.03 0.05 7 H H H 54.47 16.38 14.35 30.26 92.47 70.13 -62.59 -41.03 2.60 0.01 97.39 0.99 0.25 1.09 97.24 0.43 0.00 0.00 0.00 8 R H H 141.47 2.72 19.92 22.73 91.92 52.19 -64.33 -40.99 0.49 0.00 99.51 0.11 0.04 0.25 99.32 0.27 0.00 0.00 0.00 9 Q H H 92.23 3.67 20.79 24.27 91.94 50.03 -64.98 -41.34 0.35 0.00 99.65 0.06 0.03 0.19 99.36 0.35 0.00 0.00 0.00 10 L H H 13.67 19.87 15.23 35.23 92.02 50.52 -64.29 -42.31 0.44 0.00 99.56 0.06 0.03 0.27 99.22 0.41 0.00 0.00 0.00 11 Q H H 53.16 14.87 16.94 31.71 91.67 51.73 -63.95 -38.42 1.21 0.00 98.78 0.11 0.07 0.90 98.15 0.77 0.00 0.00 0.00 12 A H H 75.72 2.11 21.07 22.41 91.68 54.33 -67.23 -30.69 10.75 0.01 89.24 0.31 0.37 10.33 87.25 1.72 0.01 0.00 0.01 13 R H H 113.67 8.31 18.55 27.24 94.84 51.49 -80.78 -19.37 29.42 0.04 70.54 1.21 1.36 26.64 68.65 2.08 0.02 0.01 0.03 14 M C H 25.65 22.35 12.11 33.09 100.04 75.37 -80.74 -0.53 58.26 1.14 40.60 32.65 9.52 17.14 34.37 5.11 0.02 0.42 0.78 15 G C C 41.09 5.93 20.36 26.95 104.78 138.24 -62.15 -77.21 80.54 1.30 18.15 37.66 14.12 29.55 11.27 6.11 0.01 0.61 0.67 16 D C C 86.31 5.84 21.55 27.69 107.67 18.16 -101.86 98.19 82.19 1.02 16.79 42.44 13.85 26.51 10.20 5.94 0.00 0.45 0.62 17 L H H 12.31 24.67 13.16 37.32 96.21 172.32 -77.44 -20.96 47.69 0.42 51.89 37.42 5.43 5.06 49.04 2.68 0.00 0.13 0.24 18 K H H 111.08 8.75 20.42 30.13 92.22 76.67 -60.28 -41.19 8.48 0.04 91.48 2.94 1.22 3.94 90.80 1.07 0.00 0.01 0.01 19 G H H 29.76 4.61 22.90 27.85 91.81 51.08 -64.38 -40.30 5.32 0.03 94.65 1.45 0.61 3.06 93.73 1.11 0.01 0.01 0.01 20 V H H 9.08 20.60 19.60 40.14 91.97 50.24 -64.55 -43.64 1.46 0.01 98.53 0.45 0.16 0.74 98.06 0.58 0.00 0.01 0.00 21 L H H 7.23 23.15 18.68 41.70 91.22 49.85 -63.06 -42.67 0.49 0.00 99.50 0.13 0.05 0.22 99.46 0.14 0.00 0.00 0.00 22 D H H 71.52 4.53 24.08 28.55 91.52 51.12 -63.35 -41.63 0.30 0.00 99.70 0.06 0.02 0.15 99.68 0.09 0.00 0.00 0.00 23 D H H 50.73 7.87 21.71 30.39 91.93 49.89 -64.84 -41.42 0.29 0.00 99.71 0.03 0.02 0.19 99.67 0.10 0.00 0.00 0.00 24 L H H 5.39 22.69 14.80 37.94 91.99 50.12 -64.45 -42.47 0.51 0.00 99.49 0.04 0.03 0.36 99.35 0.22 0.00 0.00 0.00 25 Q H H 70.84 12.30 17.05 29.45 92.03 50.54 -64.21 -41.04 1.68 0.00 98.31 0.11 0.09 1.39 98.04 0.38 0.00 0.00 0.00 26 D H H 113.73 1.34 19.14 19.51 91.09 52.32 -65.41 -31.08 10.76 0.01 89.22 0.24 0.42 10.32 88.61 0.38 0.02 0.00 0.01 27 N C T 69.35 8.76 14.49 24.70 93.59 50.36 -90.00 3.57 94.03 0.02 5.95 0.36 2.83 90.37 6.11 0.30 0.00 0.00 0.03 28 E C T 144.77 2.87 19.75 23.51 93.38 -120.99 61.23 34.08 99.63 0.01 0.36 0.49 3.54 95.72 0.20 0.05 0.00 0.00 0.00 29 V C S 18.02 18.65 16.11 35.25 95.82 133.89 -82.99 -27.07 99.32 0.58 0.10 23.34 75.24 0.82 0.05 0.03 0.00 0.17 0.35 30 L C S 8.03 23.40 12.02 35.46 130.40 33.32 -129.36 147.91 98.79 1.17 0.03 20.97 77.84 0.15 0.02 0.01 0.00 0.20 0.82 31 T C C 61.24 4.13 21.00 24.95 124.68 -127.50 -85.05 167.32 99.83 0.14 0.03 99.53 0.32 0.02 0.01 0.00 0.00 0.04 0.06 32 E H H 132.63 3.85 15.41 21.04 91.18 -100.31 -58.65 -38.30 1.72 0.00 98.28 0.24 0.24 0.99 98.05 0.47 0.00 0.00 0.00 33 N H H 112.57 1.24 19.47 19.09 91.35 52.00 -64.35 -40.13 1.06 0.00 98.94 0.09 0.07 0.78 98.41 0.65 0.00 0.00 0.00 34 E H H 34.01 15.29 14.91 30.66 92.15 48.70 -66.32 -39.78 0.56 0.00 99.44 0.09 0.03 0.36 98.83 0.69 0.00 0.00 0.00 35 K H H 51.14 16.85 15.01 31.45 91.49 53.23 -62.01 -42.81 0.17 0.00 99.83 0.03 0.01 0.09 99.78 0.09 0.00 0.00 0.00 36 E H H 104.95 1.95 22.51 22.69 91.47 50.19 -63.47 -41.18 0.19 0.00 99.81 0.02 0.01 0.13 99.78 0.07 0.00 0.00 0.00 37 L H H 68.82 5.36 20.61 26.66 91.55 50.07 -64.56 -41.44 0.32 0.00 99.68 0.02 0.01 0.25 99.37 0.35 0.00 0.00 0.00 38 V H H 4.62 23.89 12.50 36.53 91.32 50.54 -64.37 -40.94 0.71 0.00 99.28 0.04 0.03 0.57 98.31 1.05 0.00 0.00 0.00 39 E H H 101.27 9.05 18.43 28.07 91.33 54.69 -66.65 -26.87 9.38 0.00 90.62 0.17 0.24 9.21 89.44 0.94 0.00 0.00 0.00 40 Q C H 134.21 1.34 19.04 18.98 93.19 56.66 -84.09 -9.03 50.54 0.02 49.44 1.33 1.90 45.92 49.26 1.56 0.00 0.00 0.02 41 E C C 54.98 14.71 8.33 22.84 114.76 100.98 -78.85 135.57 96.11 0.16 3.73 74.79 16.87 3.99 3.61 0.49 0.00 0.04 0.22 42 K C C 166.13 1.32 16.03 17.28 98.50 -155.26 -84.54 -18.67 98.22 0.20 1.58 72.58 22.43 3.16 1.15 0.39 0.00 0.05 0.23 43 T C S 65.06 4.68 14.41 20.54 122.75 67.36 -102.40 152.78 97.00 0.59 2.41 30.86 63.56 2.41 2.07 0.36 0.00 0.12 0.63 44 R H H 125.39 9.37 14.56 24.80 94.27 -120.80 -62.25 -39.07 17.00 0.08 82.92 4.05 8.64 5.26 80.91 1.03 0.02 0.02 0.07 45 Q H H 98.66 7.02 17.51 25.36 92.50 51.58 -63.95 -41.18 7.70 0.02 92.28 1.33 1.33 4.68 91.49 1.13 0.01 0.00 0.01 46 S H H 53.63 3.97 20.27 24.40 92.39 48.09 -65.81 -40.01 6.56 0.03 93.41 2.56 0.89 3.23 91.85 1.43 0.00 0.01 0.02 47 K H H 53.84 13.00 18.27 31.67 92.01 50.98 -64.13 -41.77 1.00 0.00 98.99 0.38 0.11 0.41 98.83 0.27 0.00 0.00 0.00 48 N H H 18.03 19.95 18.61 38.28 91.52 50.77 -63.72 -41.74 0.49 0.00 99.50 0.13 0.04 0.25 99.45 0.12 0.00 0.00 0.00 49 E H H 89.40 7.05 24.71 31.96 91.77 50.83 -64.18 -41.23 0.16 0.00 99.84 0.02 0.01 0.09 99.80 0.07 0.00 0.00 0.00 50 A H H 31.69 8.27 24.23 33.39 91.67 50.14 -64.13 -42.45 0.12 0.00 99.88 0.01 0.01 0.08 99.84 0.06 0.00 0.00 0.00 51 L H H 4.44 24.40 20.53 44.71 91.52 50.29 -63.27 -43.56 0.15 0.00 99.85 0.01 0.00 0.11 99.79 0.09 0.00 0.00 0.00 52 L H H 20.99 19.47 21.79 40.53 91.69 50.15 -63.43 -41.50 0.28 0.00 99.72 0.01 0.01 0.22 99.58 0.18 0.00 0.00 0.00 53 S H H 58.07 3.38 26.17 28.90 91.55 50.74 -64.42 -41.16 2.04 0.00 97.96 0.05 0.04 1.97 97.61 0.33 0.00 0.00 0.00 54 M H H 28.20 13.46 20.67 34.92 91.97 50.47 -65.22 -41.86 2.58 0.00 97.42 0.13 0.14 2.13 97.05 0.54 0.00 0.00 0.00 55 V H H 4.85 24.36 14.83 39.37 91.50 51.30 -63.86 -41.57 1.18 0.00 98.82 0.17 0.12 0.74 97.66 1.31 0.00 0.00 0.00 56 E H H 106.95 7.46 19.54 27.85 91.73 52.07 -64.39 -37.13 2.23 0.00 97.77 0.17 0.12 1.76 95.75 2.18 0.00 0.00 0.00 57 K H H 147.77 1.67 20.96 21.80 92.19 51.46 -70.93 -28.86 6.21 0.00 93.78 0.22 0.32 5.55 92.45 1.46 0.00 0.00 0.00 58 K H H 60.33 14.05 13.25 27.37 95.48 51.11 -84.41 -17.33 22.34 0.07 77.59 2.57 4.23 15.25 76.79 1.06 0.03 0.02 0.06 59 G C C 25.75 5.14 18.83 25.32 127.94 -121.64 94.60 177.65 66.21 0.18 33.61 59.18 2.57 3.33 33.36 1.41 0.00 0.05 0.11 60 D H H 98.92 6.55 16.36 24.31 92.96 -56.57 -64.22 -33.85 5.33 0.01 94.66 0.68 0.82 3.63 93.16 1.69 0.00 0.00 0.00 61 L H H 103.53 2.72 22.82 25.10 91.96 54.80 -64.23 -40.22 2.13 0.00 97.87 0.25 0.18 1.52 96.22 1.83 0.00 0.00 0.00 62 A H H 6.30 18.97 16.81 36.57 91.58 50.19 -64.19 -42.14 0.62 0.00 99.37 0.11 0.04 0.37 98.58 0.91 0.00 0.00 0.00 63 L H H 22.46 19.43 19.26 38.13 91.31 51.77 -62.37 -42.64 0.24 0.00 99.76 0.03 0.01 0.14 99.66 0.16 0.00 0.00 0.00 64 D H H 71.36 4.92 25.56 30.58 91.53 51.32 -63.90 -41.38 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 65 V H H 37.07 10.59 23.80 35.09 91.68 49.95 -64.52 -42.80 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 66 L H H 2.80 25.75 20.15 45.89 91.38 49.91 -63.43 -43.42 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 67 F H H 39.54 17.19 22.69 39.06 91.66 50.16 -63.57 -41.85 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 68 R H H 126.84 3.07 26.73 29.30 91.80 50.15 -64.33 -41.53 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 69 S H H 9.62 14.50 20.10 35.97 91.62 50.22 -63.64 -42.98 0.26 0.00 99.74 0.01 0.01 0.20 99.72 0.05 0.00 0.00 0.00 70 I H H 6.98 22.32 16.34 38.88 91.92 49.22 -64.69 -41.30 0.71 0.00 99.29 0.05 0.04 0.51 99.24 0.15 0.00 0.00 0.00 71 S H H 47.90 9.86 17.46 28.06 91.86 53.16 -65.48 -35.22 3.60 0.00 96.40 0.15 0.12 3.17 96.15 0.41 0.00 0.00 0.00 72 E H H 131.91 2.07 19.40 21.08 94.52 46.83 -73.42 -35.39 9.43 0.00 90.57 0.18 0.35 8.83 90.26 0.38 0.00 0.00 0.00 73 R H H 115.13 7.40 16.65 24.87 101.19 31.98 -94.55 -31.81 13.44 0.02 86.54 0.29 1.58 11.12 86.72 0.25 0.01 0.00 0.01 74 D C C 34.55 14.37 12.24 27.14 112.96 18.66 -135.08 76.17 99.77 0.04 0.20 95.02 4.48 0.26 0.17 0.03 0.00 0.01 0.03 75 P H H 78.45 6.01 15.68 23.74 93.08 170.85 -62.26 -33.73 9.09 0.00 90.91 0.69 0.39 7.59 87.44 3.88 0.00 0.00 0.00 76 Y H H 126.13 3.90 20.47 24.56 91.90 56.80 -64.88 -38.06 4.07 0.00 95.93 0.13 0.16 3.85 92.79 3.08 0.00 0.00 0.00 77 L H H 14.07 18.38 16.85 35.61 92.03 50.31 -65.62 -41.71 0.88 0.00 99.12 0.11 0.05 0.59 97.15 2.09 0.00 0.00 0.00 78 V H H 18.62 16.45 16.50 33.58 91.58 51.12 -63.03 -42.46 0.30 0.00 99.70 0.05 0.02 0.17 99.23 0.54 0.00 0.00 0.00 79 S H H 57.02 2.57 21.90 23.53 91.42 50.62 -63.55 -41.91 0.47 0.00 99.53 0.05 0.02 0.31 99.05 0.57 0.00 0.00 0.00 80 Y H H 84.04 6.93 18.56 26.78 92.17 49.92 -65.15 -41.07 0.90 0.00 99.10 0.08 0.05 0.63 98.56 0.69 0.00 0.00 0.00 81 L H H 15.81 18.65 13.14 32.05 92.46 50.91 -65.43 -40.97 2.62 0.00 97.38 0.33 0.20 1.80 96.69 0.98 0.00 0.00 0.00 82 R H H 123.82 5.83 16.10 23.14 92.17 51.96 -64.93 -37.06 11.88 0.03 88.09 1.98 1.17 8.28 87.34 1.21 0.00 0.01 0.02 83 Q H H 119.77 2.03 14.40 16.72 93.50 53.37 -69.15 -32.46 29.04 0.15 70.81 8.68 4.06 16.20 68.80 2.10 0.01 0.05 0.10 84 Q C H 104.62 5.53 11.61 18.63 96.05 56.18 -74.62 -22.17 50.95 0.30 48.75 17.77 7.37 25.59 45.68 3.28 0.01 0.11 0.20 85 N C C 101.63 4.90 10.51 16.94 99.51 58.72 -83.80 -1.41 73.39 0.29 26.32 41.98 2.21 28.26 24.45 2.77 0.00 0.12 0.21 86 L C C 103.51 5.48 11.26 18.31 101.41 91.27 -81.55 -2.90 99.92 0.02 0.05 99.79 0.09 0.09 0.03 0.00 0.00 0.01 0.00