# 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 58.59 7.68 12.42 21.21 108.61 -121.03 -74.41 136.43 99.91 0.02 0.07 99.83 0.06 0.06 0.04 0.00 0.00 0.01 0.00 1 N C C 105.09 3.48 11.71 16.62 106.38 -129.88 -85.03 82.42 86.09 0.80 13.11 80.79 1.20 3.26 13.28 0.71 0.00 0.27 0.48 2 I H H 98.77 4.59 9.82 16.02 102.35 107.58 -76.14 -29.82 44.28 0.68 55.03 29.25 9.91 5.11 53.66 1.50 0.00 0.23 0.34 3 K H H 140.71 1.70 13.04 15.06 94.18 56.70 -65.05 -39.10 14.87 0.15 84.97 7.26 2.71 5.24 82.52 2.13 0.01 0.06 0.07 4 S H H 59.23 2.47 13.90 16.92 93.17 50.38 -66.06 -39.65 11.67 0.12 88.20 5.77 1.87 4.37 85.62 2.25 0.01 0.05 0.06 5 A H H 41.44 5.47 12.34 19.92 92.70 51.82 -64.98 -40.22 6.50 0.06 93.44 3.63 0.96 2.07 91.81 1.48 0.00 0.03 0.03 6 K H H 112.40 3.59 15.38 19.77 92.40 51.58 -64.94 -40.96 3.60 0.03 96.36 1.87 0.51 1.26 95.68 0.64 0.00 0.01 0.01 7 K H H 121.08 2.08 17.02 18.83 92.26 50.11 -64.98 -40.97 2.60 0.02 97.37 1.20 0.33 1.00 97.06 0.39 0.00 0.01 0.01 8 R H H 130.84 3.18 16.98 20.61 92.20 50.07 -65.43 -40.45 1.90 0.01 98.09 0.82 0.22 0.75 97.95 0.26 0.00 0.00 0.00 9 A H H 44.30 5.80 15.67 22.90 92.21 50.79 -64.42 -41.51 1.64 0.01 98.35 0.65 0.17 0.65 98.31 0.20 0.00 0.00 0.00 10 I H H 87.19 3.06 18.33 21.39 91.99 49.28 -64.63 -41.96 1.53 0.01 98.46 0.56 0.16 0.66 98.44 0.18 0.00 0.00 0.00 11 Q H H 94.19 3.30 18.84 22.13 92.46 49.43 -65.45 -41.03 1.57 0.01 98.42 0.52 0.16 0.69 98.46 0.15 0.00 0.00 0.00 12 S H H 42.73 6.27 16.43 24.23 92.36 50.54 -65.12 -40.43 2.06 0.01 97.93 0.68 0.22 0.91 98.03 0.16 0.00 0.00 0.00 13 E H H 96.09 3.90 18.38 22.58 91.92 50.34 -65.27 -40.91 1.63 0.00 98.36 0.50 0.17 0.75 98.43 0.14 0.00 0.00 0.00 14 K H H 111.07 2.60 19.61 21.68 92.05 49.98 -64.74 -41.10 1.39 0.00 98.61 0.40 0.14 0.66 98.65 0.13 0.00 0.00 0.00 15 A H H 41.23 7.45 16.44 25.35 92.14 50.77 -64.52 -41.10 1.39 0.00 98.61 0.41 0.13 0.65 98.65 0.14 0.00 0.00 0.00 16 R H H 119.77 6.09 17.76 24.74 92.16 50.54 -64.57 -40.80 1.44 0.00 98.56 0.40 0.14 0.71 98.59 0.16 0.00 0.00 0.00 17 K H H 124.29 2.15 20.24 21.47 91.90 49.65 -64.83 -41.22 1.45 0.00 98.55 0.36 0.14 0.76 98.57 0.17 0.00 0.00 0.00 18 H H H 97.56 4.09 19.54 23.81 92.26 49.03 -65.04 -41.44 1.92 0.00 98.07 0.45 0.19 1.06 98.11 0.18 0.00 0.00 0.00 19 N H H 42.23 12.46 16.11 29.36 92.27 50.24 -65.19 -40.03 2.36 0.00 97.64 0.56 0.23 1.30 97.70 0.19 0.00 0.00 0.00 20 A H H 51.43 5.02 19.55 25.19 91.90 51.33 -63.98 -41.16 1.20 0.00 98.79 0.31 0.12 0.61 98.83 0.13 0.00 0.00 0.00 21 S H H 61.17 2.31 21.92 22.83 92.09 50.09 -64.78 -41.23 1.13 0.00 98.87 0.26 0.10 0.61 98.90 0.13 0.00 0.00 0.00 22 R H H 75.08 11.75 18.65 30.73 92.05 49.47 -65.12 -41.71 0.86 0.00 99.14 0.16 0.08 0.50 99.16 0.11 0.00 0.00 0.00 23 R H H 78.81 14.33 17.92 31.85 91.39 51.77 -63.13 -41.48 0.53 0.00 99.46 0.12 0.04 0.29 99.48 0.07 0.00 0.00 0.00 24 S H H 61.84 2.34 23.14 23.99 91.45 50.30 -64.14 -40.89 0.62 0.00 99.38 0.12 0.04 0.34 99.42 0.07 0.00 0.00 0.00 25 M H H 87.19 4.74 22.12 27.03 91.64 49.89 -64.90 -41.14 0.71 0.00 99.29 0.07 0.04 0.45 99.36 0.07 0.00 0.00 0.00 26 M H H 15.97 20.70 15.72 36.48 91.85 50.58 -64.51 -42.40 0.48 0.00 99.52 0.06 0.03 0.27 99.60 0.05 0.00 0.00 0.00 27 R H H 112.20 8.33 21.41 30.21 91.42 51.30 -62.71 -41.53 0.39 0.00 99.61 0.07 0.02 0.20 99.66 0.04 0.00 0.00 0.00 28 T H H 73.61 2.06 24.12 24.19 91.55 49.57 -64.03 -41.85 0.45 0.00 99.55 0.06 0.02 0.28 99.59 0.05 0.00 0.00 0.00 29 F H H 37.28 14.17 19.90 34.51 92.08 49.52 -64.81 -42.28 0.33 0.00 99.67 0.03 0.02 0.22 99.69 0.04 0.00 0.00 0.00 30 I H H 20.43 20.38 17.82 37.76 91.32 51.36 -62.66 -42.84 0.22 0.00 99.78 0.03 0.01 0.14 99.80 0.02 0.00 0.00 0.00 31 K H H 119.88 2.98 24.31 27.05 91.29 50.91 -63.43 -41.05 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 32 K H H 107.23 4.16 24.34 28.43 91.86 49.54 -65.12 -41.17 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 33 V H H 6.39 22.64 17.30 40.11 91.72 49.94 -64.47 -43.53 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 34 Y H H 80.24 13.10 21.98 34.58 91.44 50.06 -63.05 -42.27 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 35 A H H 54.53 2.32 24.14 24.92 91.39 50.43 -63.53 -42.47 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 36 A H H 16.90 9.96 17.42 29.68 91.64 50.04 -64.16 -41.59 0.38 0.00 99.62 0.04 0.02 0.23 99.60 0.10 0.00 0.00 0.00 37 I H H 28.16 18.09 13.54 31.39 92.18 50.20 -64.34 -41.93 0.79 0.00 99.21 0.08 0.05 0.56 98.99 0.32 0.00 0.00 0.00 38 E H H 136.31 2.70 17.97 21.59 90.85 52.39 -64.71 -31.88 4.14 0.00 95.86 0.11 0.16 3.76 95.65 0.32 0.00 0.00 0.00 39 A C T 78.08 1.76 16.49 17.76 91.92 53.54 -83.80 -6.38 64.92 0.01 35.07 0.38 1.33 61.49 36.20 0.59 0.00 0.00 0.01 40 G C T 51.02 4.54 13.92 20.10 94.89 -111.75 83.16 10.72 99.75 0.01 0.24 3.18 2.96 93.68 0.14 0.04 0.00 0.00 0.00 41 D C C 74.05 4.95 15.51 22.11 105.33 140.81 -89.04 95.79 99.53 0.11 0.36 98.88 0.60 0.16 0.21 0.04 0.00 0.03 0.08 42 K H H 104.06 11.27 13.55 25.57 94.25 -174.18 -65.63 -36.09 4.80 0.01 95.19 1.53 0.80 2.12 94.79 0.75 0.00 0.00 0.00 43 A H H 75.98 1.55 21.99 21.77 91.81 53.85 -63.98 -41.64 2.23 0.00 97.77 0.28 0.21 1.51 97.21 0.78 0.00 0.00 0.00 44 A H H 38.53 5.86 19.62 26.71 91.81 48.32 -65.71 -40.46 0.87 0.00 99.13 0.18 0.07 0.49 98.62 0.65 0.00 0.00 0.00 45 A H H 5.25 21.57 12.96 34.82 91.46 52.10 -63.87 -42.70 0.46 0.00 99.54 0.10 0.03 0.22 99.40 0.25 0.00 0.00 0.00 46 Q H H 85.58 8.22 22.40 30.87 91.57 51.49 -63.41 -41.31 0.33 0.00 99.67 0.04 0.02 0.18 99.66 0.10 0.00 0.00 0.00 47 K H H 122.18 1.70 25.70 25.26 91.80 49.85 -64.32 -41.77 0.42 0.00 99.58 0.03 0.01 0.29 99.56 0.10 0.00 0.00 0.00 48 A H H 13.30 15.06 19.36 35.30 91.70 50.24 -64.30 -42.07 0.57 0.00 99.43 0.04 0.02 0.41 99.40 0.13 0.00 0.00 0.00 49 F H H 20.24 21.96 17.30 38.64 91.57 51.23 -63.04 -41.72 0.38 0.00 99.62 0.03 0.01 0.26 99.43 0.26 0.00 0.00 0.00 50 N H H 97.42 3.37 23.81 27.24 91.65 50.68 -64.48 -38.85 1.03 0.00 98.97 0.02 0.02 0.95 98.63 0.38 0.00 0.00 0.00 51 E H H 107.43 3.71 23.86 27.36 92.23 49.59 -68.07 -37.33 7.67 0.00 92.33 0.05 0.09 8.18 91.14 0.54 0.00 0.00 0.00 52 M H H 9.75 22.57 16.17 38.59 93.87 48.34 -75.28 -31.17 6.50 0.00 93.50 0.08 0.18 6.40 92.95 0.39 0.00 0.00 0.00 53 Q H H 60.59 16.26 19.35 34.55 92.05 62.40 -59.69 -43.87 0.50 0.00 99.50 0.06 0.03 0.28 99.41 0.22 0.00 0.00 0.00 54 P H H 76.80 2.12 25.14 25.40 91.29 50.45 -63.25 -40.83 0.22 0.00 99.78 0.02 0.01 0.15 99.62 0.20 0.00 0.00 0.00 55 I H H 44.07 10.72 22.00 33.44 91.79 49.07 -64.77 -42.37 0.07 0.00 99.93 0.01 0.00 0.04 99.82 0.13 0.00 0.00 0.00 56 V H H 5.55 23.79 16.38 40.30 91.48 49.10 -63.57 -43.11 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 57 D H H 68.18 6.94 22.54 29.86 91.35 50.78 -63.13 -41.49 0.19 0.00 99.81 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 58 R H H 129.95 2.23 23.75 24.58 91.90 49.39 -64.92 -41.34 0.32 0.00 99.68 0.02 0.01 0.23 99.69 0.05 0.00 0.00 0.00 59 Q H H 25.47 13.24 16.80 31.41 92.16 49.20 -65.79 -40.77 0.60 0.00 99.40 0.05 0.04 0.40 99.38 0.13 0.00 0.00 0.00 60 A H H 23.99 14.19 13.81 28.65 91.99 51.72 -63.84 -41.24 1.57 0.00 98.43 0.15 0.09 1.18 98.15 0.42 0.00 0.00 0.00 61 A H H 84.86 1.70 17.76 19.37 90.88 53.19 -65.19 -31.47 7.20 0.01 92.79 0.18 0.25 7.03 92.08 0.44 0.01 0.00 0.00 62 K C T 127.89 2.88 15.53 19.08 92.72 53.02 -85.76 -2.18 81.31 0.02 18.67 0.21 1.47 79.11 18.62 0.56 0.00 0.00 0.02 63 G C T 53.50 3.34 15.59 20.28 95.23 -112.30 79.03 13.88 99.72 0.01 0.27 0.38 3.29 96.16 0.12 0.04 0.00 0.00 0.00 64 L C S 65.82 9.84 15.58 26.59 94.79 122.30 -78.39 -29.77 99.86 0.10 0.04 4.01 95.01 0.89 0.01 0.01 0.00 0.03 0.04 65 I C S 17.56 20.12 10.91 30.67 132.38 23.50 -135.06 149.29 98.13 1.81 0.06 6.76 91.32 0.45 0.03 0.01 0.00 0.32 1.11 66 H C C 106.83 2.96 20.78 22.95 115.97 -103.76 -70.17 150.72 99.61 0.31 0.08 99.00 0.65 0.05 0.05 0.01 0.00 0.10 0.14 67 K H H 127.97 7.77 13.05 22.47 91.47 -113.49 -57.93 -38.29 18.69 0.05 81.26 1.43 2.20 14.82 75.89 5.57 0.03 0.02 0.04 68 N H H 117.84 1.05 19.92 18.88 91.74 53.32 -64.91 -37.72 14.63 0.03 85.34 0.97 1.29 12.10 80.67 4.92 0.02 0.01 0.02 69 K H H 82.62 7.26 18.92 26.96 92.43 48.79 -67.41 -39.36 5.12 0.03 94.84 1.39 0.72 2.95 90.75 4.16 0.01 0.01 0.01 70 A H H 6.36 20.31 12.46 33.15 91.53 52.87 -62.85 -42.70 1.82 0.01 98.17 0.51 0.21 0.94 97.30 1.04 0.00 0.00 0.00 71 A H H 54.39 4.35 21.22 25.84 91.55 51.42 -63.49 -41.09 0.93 0.00 99.07 0.23 0.09 0.47 98.76 0.46 0.00 0.00 0.00 72 R H H 142.41 1.67 23.31 23.03 92.01 49.51 -64.81 -41.44 0.64 0.00 99.36 0.12 0.05 0.35 99.25 0.23 0.00 0.00 0.00 73 H H H 44.63 14.91 18.32 33.25 92.21 48.70 -65.19 -41.31 0.67 0.00 99.32 0.11 0.05 0.39 99.30 0.15 0.00 0.00 0.00 74 K H H 65.95 16.02 18.35 33.51 91.40 52.02 -62.33 -42.27 1.08 0.00 98.91 0.18 0.09 0.64 98.93 0.16 0.00 0.00 0.00 75 A H H 62.91 2.18 23.49 24.01 91.62 50.41 -63.84 -41.09 1.52 0.00 98.48 0.21 0.09 0.97 98.59 0.14 0.00 0.00 0.00 76 N H H 81.42 4.19 22.55 26.66 91.97 49.31 -65.46 -40.53 2.35 0.00 97.65 0.26 0.12 1.70 97.75 0.17 0.00 0.00 0.00 77 L H H 13.11 19.98 15.42 35.71 92.08 50.81 -64.36 -42.58 1.01 0.00 98.99 0.21 0.08 0.55 98.95 0.21 0.00 0.00 0.00 78 T H H 54.87 8.47 20.05 29.26 91.70 51.07 -63.31 -41.57 0.54 0.00 99.46 0.12 0.04 0.27 99.42 0.16 0.00 0.00 0.00 79 A H H 56.76 1.93 21.15 21.45 91.62 50.69 -63.57 -41.85 0.48 0.00 99.52 0.07 0.03 0.29 99.33 0.28 0.00 0.00 0.00 80 Q H H 69.18 7.61 17.64 26.41 92.26 49.82 -65.59 -40.00 0.91 0.00 99.09 0.11 0.05 0.59 98.67 0.57 0.00 0.00 0.00 81 I H H 30.03 17.23 11.90 29.16 92.04 51.17 -64.71 -39.93 2.12 0.00 97.87 0.22 0.13 1.52 96.85 1.28 0.00 0.00 0.00 82 N H H 115.15 2.36 15.55 18.89 91.33 53.27 -66.22 -29.09 17.65 0.01 82.34 0.82 0.67 15.66 81.46 1.38 0.00 0.00 0.01 83 K C H 153.06 1.30 14.67 15.62 94.25 54.72 -75.84 -17.75 53.62 0.04 46.34 8.09 0.70 41.84 48.05 1.27 0.00 0.01 0.03 84 L C C 72.04 12.19 11.27 23.44 98.38 68.18 -76.18 -18.48 99.87 0.01 0.12 99.61 0.13 0.15 0.10 0.00 0.00 0.00 0.00