# 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 56.80 8.05 12.47 21.55 109.44 -121.91 -75.01 140.18 99.93 0.02 0.06 99.85 0.05 0.05 0.03 0.00 0.00 0.00 0.00 1 N C C 100.62 3.69 11.95 17.04 107.33 -132.63 -84.37 105.19 90.21 0.68 9.11 86.20 0.98 2.66 8.96 0.54 0.00 0.22 0.45 2 I H H 96.88 5.04 9.96 16.57 98.54 -156.04 -71.56 -33.45 43.16 0.68 56.15 28.74 9.69 4.48 55.25 1.26 0.00 0.20 0.37 3 K H H 139.32 1.91 12.94 15.31 93.55 55.45 -64.41 -38.79 10.00 0.08 89.92 4.47 1.69 3.96 87.56 2.24 0.01 0.03 0.04 4 S H H 60.90 2.14 14.01 16.48 92.94 50.32 -66.08 -39.34 7.74 0.07 92.19 3.47 1.11 3.25 89.61 2.48 0.00 0.04 0.03 5 Q H H 73.13 5.18 13.11 20.06 92.93 51.20 -66.10 -39.28 4.77 0.05 95.18 2.45 0.68 1.77 93.33 1.72 0.00 0.02 0.02 6 I H H 76.53 4.99 14.18 20.61 92.32 51.55 -64.32 -41.41 2.26 0.02 97.71 1.11 0.32 0.82 97.30 0.43 0.00 0.01 0.01 7 K H H 118.55 2.01 17.05 18.66 91.92 50.63 -64.68 -41.03 1.84 0.01 98.14 0.84 0.21 0.71 97.96 0.27 0.00 0.01 0.01 8 R H H 129.94 2.97 16.92 20.23 92.05 50.31 -65.33 -40.57 1.57 0.01 98.42 0.59 0.16 0.69 98.33 0.22 0.00 0.00 0.00 9 I H H 71.70 6.29 15.73 23.25 92.39 49.62 -65.37 -41.47 1.13 0.01 98.86 0.38 0.11 0.50 98.87 0.14 0.00 0.00 0.00 10 R H H 125.55 2.92 18.30 21.23 92.00 50.20 -64.40 -41.49 1.29 0.00 98.70 0.37 0.12 0.60 98.77 0.13 0.00 0.00 0.00 11 T H H 63.61 3.14 18.07 21.40 92.02 49.50 -64.76 -41.85 1.44 0.00 98.56 0.37 0.13 0.69 98.68 0.12 0.00 0.00 0.00 12 N H H 59.61 6.71 16.24 24.40 92.31 50.37 -65.33 -40.55 1.42 0.00 98.57 0.38 0.13 0.66 98.72 0.11 0.00 0.00 0.00 13 E H H 92.99 4.29 17.61 22.58 91.79 51.02 -64.80 -40.92 1.12 0.00 98.88 0.26 0.09 0.55 99.00 0.10 0.00 0.00 0.00 14 R H H 133.46 2.10 19.12 20.42 91.86 50.06 -64.53 -41.22 0.82 0.00 99.18 0.16 0.06 0.42 99.28 0.08 0.00 0.00 0.00 15 R H H 107.19 6.34 17.26 24.59 92.09 50.02 -64.76 -40.95 0.72 0.00 99.28 0.14 0.05 0.36 99.37 0.08 0.00 0.00 0.00 16 R H H 110.10 7.36 17.28 25.56 91.86 50.95 -64.34 -40.75 0.84 0.00 99.16 0.15 0.06 0.44 99.25 0.10 0.00 0.00 0.00 17 L H H 92.41 2.48 20.29 21.86 92.05 49.74 -64.71 -41.33 0.81 0.00 99.19 0.15 0.06 0.44 99.25 0.10 0.00 0.00 0.00 18 R H H 120.62 3.75 20.15 24.05 91.91 49.41 -64.59 -41.33 0.95 0.00 99.05 0.18 0.08 0.53 99.12 0.10 0.00 0.00 0.00 19 N H H 37.09 13.88 15.78 30.26 92.24 50.09 -65.44 -39.77 1.40 0.00 98.60 0.26 0.12 0.81 98.69 0.12 0.00 0.00 0.00 20 Q H H 97.77 4.72 20.47 25.70 91.88 51.56 -64.39 -40.54 0.88 0.00 99.12 0.19 0.08 0.48 99.16 0.09 0.00 0.00 0.00 21 S H H 61.22 2.34 22.47 23.35 91.93 50.04 -64.78 -41.62 0.98 0.00 99.02 0.20 0.08 0.56 99.06 0.10 0.00 0.00 0.00 22 V H H 30.65 13.43 18.33 32.51 91.94 48.93 -64.70 -42.68 0.79 0.00 99.21 0.15 0.07 0.45 99.24 0.09 0.00 0.00 0.00 23 K H H 64.24 15.19 18.56 33.17 91.41 51.55 -62.55 -42.20 0.55 0.00 99.45 0.12 0.05 0.30 99.47 0.06 0.00 0.00 0.00 24 S H H 60.70 2.42 23.87 24.90 91.31 50.17 -63.90 -41.08 0.73 0.00 99.27 0.16 0.05 0.40 99.32 0.06 0.00 0.00 0.00 25 S H H 51.80 4.86 22.73 27.69 91.63 50.04 -65.08 -40.80 0.71 0.00 99.29 0.09 0.04 0.43 99.38 0.06 0.00 0.00 0.00 26 L H H 13.54 21.26 15.84 37.23 92.06 50.53 -64.62 -42.59 0.36 0.00 99.64 0.04 0.02 0.19 99.71 0.03 0.00 0.00 0.00 27 R H H 114.78 8.38 22.03 30.93 91.23 51.42 -62.27 -42.06 0.21 0.00 99.79 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 28 T H H 79.34 1.86 25.07 24.69 91.69 49.40 -64.26 -41.69 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 29 A H H 20.58 13.45 19.92 34.09 91.95 50.38 -64.44 -42.16 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 30 I H H 21.57 19.49 18.32 37.48 91.40 49.87 -63.74 -42.76 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 31 R H H 129.00 2.93 24.91 27.31 91.40 50.48 -63.32 -41.32 0.17 0.00 99.83 0.01 0.01 0.13 99.82 0.04 0.00 0.00 0.00 32 G H H 30.88 4.45 23.30 27.87 91.70 49.94 -64.34 -41.14 0.55 0.00 99.45 0.03 0.02 0.42 99.45 0.08 0.00 0.00 0.00 33 F H H 15.55 21.10 16.58 37.63 91.93 50.69 -64.65 -42.31 0.34 0.00 99.66 0.03 0.01 0.23 99.66 0.07 0.00 0.00 0.00 34 R H H 104.02 10.44 21.58 31.92 91.39 51.37 -62.49 -41.95 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 35 E H H 111.96 1.62 24.29 23.46 91.73 49.75 -64.14 -41.80 0.32 0.00 99.68 0.02 0.01 0.22 99.65 0.09 0.00 0.00 0.00 36 A H H 19.14 9.52 16.64 28.44 91.75 49.53 -64.22 -41.61 0.59 0.00 99.41 0.06 0.04 0.38 99.29 0.22 0.00 0.00 0.00 37 V H H 29.98 16.64 12.99 29.59 91.97 50.67 -64.46 -41.60 1.38 0.00 98.61 0.14 0.09 1.00 98.09 0.67 0.00 0.00 0.00 38 D H H 114.68 1.71 17.67 19.49 91.21 52.05 -66.34 -31.40 6.16 0.00 93.84 0.20 0.27 5.55 93.36 0.61 0.00 0.00 0.00 39 A C T 78.30 1.69 15.77 17.02 92.25 53.14 -84.13 -7.34 64.36 0.01 35.63 0.55 1.78 60.43 36.38 0.85 0.00 0.00 0.01 40 G C T 50.62 4.32 13.66 19.61 96.53 -110.68 82.86 11.16 99.72 0.01 0.27 5.21 3.69 90.89 0.14 0.05 0.00 0.01 0.00 41 D C C 71.45 4.96 14.87 21.54 105.48 142.60 -88.57 98.34 99.54 0.11 0.35 98.89 0.61 0.17 0.20 0.04 0.00 0.02 0.08 42 K H H 106.84 10.48 13.03 24.54 94.40 169.01 -65.96 -36.10 7.07 0.01 92.92 2.12 1.25 3.44 91.89 1.29 0.00 0.00 0.01 43 D H H 114.56 1.06 20.50 19.67 91.94 52.77 -64.39 -40.95 4.46 0.01 95.53 0.47 0.51 3.32 94.34 1.34 0.00 0.00 0.00 44 K H H 100.15 4.40 20.27 24.93 92.17 46.87 -66.98 -39.53 2.12 0.01 97.87 0.42 0.20 1.33 96.89 1.16 0.00 0.00 0.00 45 A H H 6.14 20.37 12.66 33.44 91.61 52.29 -63.34 -42.37 0.92 0.00 99.07 0.24 0.09 0.41 98.94 0.32 0.00 0.00 0.00 46 S H H 43.25 9.10 21.14 30.81 91.63 51.97 -63.18 -41.48 0.57 0.00 99.43 0.10 0.03 0.29 99.42 0.16 0.00 0.00 0.00 47 E H H 115.59 1.73 25.78 25.35 91.64 49.94 -64.30 -41.88 0.48 0.00 99.52 0.05 0.02 0.31 99.49 0.13 0.00 0.00 0.00 48 L H H 36.19 13.59 21.03 34.87 91.86 49.49 -64.88 -42.02 0.53 0.00 99.47 0.05 0.02 0.36 99.46 0.11 0.00 0.00 0.00 49 L H H 16.27 22.09 18.07 39.57 91.49 50.95 -63.16 -42.64 0.26 0.00 99.74 0.04 0.01 0.13 99.77 0.04 0.00 0.00 0.00 50 H H H 107.23 4.62 25.33 30.27 91.41 50.19 -63.62 -41.95 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 51 A H H 47.98 3.96 25.27 29.06 91.39 49.69 -63.71 -42.48 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 52 T H H 7.93 20.32 19.23 39.72 91.77 49.63 -64.17 -42.61 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 53 S H H 24.06 16.56 21.04 37.12 91.55 51.65 -62.52 -42.03 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 54 R H H 139.41 1.98 26.40 26.96 91.38 50.39 -63.96 -41.71 0.11 0.00 99.89 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 55 K H H 77.48 9.31 24.00 33.47 91.73 48.72 -64.78 -41.48 0.20 0.00 99.80 0.01 0.01 0.15 99.81 0.03 0.00 0.00 0.00 56 L H H 6.01 24.39 16.87 41.32 91.51 49.69 -63.83 -42.30 0.18 0.00 99.82 0.02 0.01 0.12 99.81 0.05 0.00 0.00 0.00 57 D H H 65.22 7.94 23.40 31.56 91.19 50.96 -63.12 -41.68 0.36 0.00 99.64 0.03 0.01 0.25 99.64 0.07 0.00 0.00 0.00 58 K H H 113.17 2.27 25.03 25.77 91.70 49.34 -64.65 -41.47 0.69 0.00 99.31 0.04 0.03 0.54 99.26 0.13 0.00 0.00 0.00 59 A H H 9.88 14.54 16.57 32.70 91.91 50.16 -64.54 -41.41 1.12 0.00 98.88 0.13 0.09 0.78 98.71 0.29 0.00 0.00 0.00 60 A H H 25.51 14.68 14.64 29.71 91.99 51.54 -63.88 -41.25 2.59 0.01 97.40 0.27 0.18 2.03 96.27 1.23 0.00 0.00 0.00 61 S H H 88.92 1.38 18.69 19.47 90.91 52.89 -65.80 -30.11 9.83 0.01 90.16 0.25 0.38 9.72 88.57 1.06 0.01 0.00 0.01 62 K C T 125.31 3.41 15.89 20.18 92.80 53.44 -85.87 -1.97 79.71 0.02 20.27 0.28 2.03 77.31 19.21 1.13 0.00 0.00 0.03 63 G C T 52.92 3.54 16.73 21.50 95.31 -110.92 79.51 12.24 99.76 0.01 0.23 0.41 4.22 95.23 0.09 0.05 0.00 0.00 0.00 64 V C S 48.80 12.13 16.20 29.17 95.35 120.51 -78.70 -31.01 99.87 0.11 0.02 3.45 95.69 0.77 0.00 0.01 0.00 0.03 0.04 65 I C S 14.23 21.29 11.52 32.61 131.31 23.96 -133.22 147.28 98.49 1.47 0.03 6.60 91.90 0.26 0.01 0.00 0.00 0.23 0.99 66 H C C 102.37 3.27 21.90 24.39 116.33 -107.69 -70.76 148.80 99.91 0.07 0.02 99.48 0.44 0.01 0.01 0.00 0.00 0.02 0.03 67 P H H 80.48 10.57 13.27 24.58 91.31 -114.25 -57.32 -37.78 14.04 0.02 85.94 0.97 1.06 11.43 75.36 11.15 0.01 0.01 0.02 68 N H H 119.23 1.10 20.71 19.83 91.67 53.29 -65.05 -37.33 11.73 0.02 88.25 0.74 0.76 9.61 77.39 11.48 0.01 0.01 0.01 69 Q H H 73.02 7.44 19.45 27.59 92.41 48.54 -68.07 -38.96 5.57 0.03 94.40 1.33 0.69 3.25 84.81 9.89 0.00 0.02 0.01 70 A H H 5.87 20.87 12.78 34.03 91.81 52.63 -63.08 -42.80 2.38 0.01 97.61 0.71 0.29 1.20 96.25 1.54 0.00 0.00 0.00 71 A H H 52.52 5.40 21.15 27.05 91.77 51.96 -63.53 -41.44 1.33 0.00 98.67 0.33 0.13 0.69 98.29 0.56 0.00 0.00 0.00 72 N H H 97.91 1.88 23.76 23.84 92.02 49.30 -64.75 -41.43 0.97 0.00 99.03 0.21 0.08 0.52 98.88 0.31 0.00 0.00 0.00 73 K H H 69.04 13.51 19.60 32.71 92.20 49.10 -65.84 -40.75 0.62 0.00 99.38 0.11 0.05 0.33 99.33 0.18 0.00 0.00 0.00 74 K H H 64.16 16.42 18.56 34.09 91.49 51.81 -62.33 -42.34 0.66 0.00 99.34 0.11 0.05 0.36 99.36 0.12 0.00 0.00 0.00 75 S H H 63.22 2.56 24.19 25.54 91.49 50.39 -63.88 -41.14 1.02 0.00 98.98 0.16 0.05 0.58 99.12 0.10 0.00 0.00 0.00 76 A H H 47.67 4.94 22.67 27.91 91.65 50.02 -64.28 -41.66 0.95 0.00 99.05 0.13 0.05 0.58 99.16 0.09 0.00 0.00 0.00 77 L H H 17.76 19.11 16.87 36.21 92.00 50.54 -64.26 -42.05 0.51 0.00 99.49 0.10 0.03 0.26 99.51 0.09 0.00 0.00 0.00 78 A H H 37.90 8.97 20.21 30.09 91.72 51.38 -62.81 -42.28 0.31 0.00 99.68 0.05 0.02 0.16 99.69 0.08 0.00 0.00 0.00 79 L H H 93.73 1.93 22.59 22.66 91.93 49.89 -64.16 -41.77 0.34 0.00 99.65 0.04 0.02 0.21 99.57 0.17 0.00 0.00 0.00 80 A H H 29.05 9.11 16.90 27.81 92.08 50.46 -64.77 -40.53 0.73 0.00 99.27 0.07 0.04 0.49 99.00 0.41 0.00 0.00 0.00 81 L H H 36.94 16.40 12.74 29.27 91.99 51.97 -64.95 -38.49 2.54 0.00 97.46 0.21 0.13 1.94 96.38 1.34 0.00 0.00 0.00 82 N H H 114.98 2.45 15.78 19.10 91.33 53.82 -67.67 -26.50 22.24 0.01 77.75 0.93 0.74 20.17 76.61 1.53 0.00 0.00 0.01 83 K C H 151.44 1.48 15.04 16.38 94.70 55.30 -77.17 -15.59 56.05 0.05 43.91 9.17 0.80 43.37 45.20 1.42 0.00 0.01 0.04 84 L C C 70.28 13.06 11.31 24.11 99.55 77.28 -75.95 -19.89 99.88 0.01 0.11 99.68 0.13 0.10 0.08 0.00 0.00 0.00 0.00