# 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 94.16 8.39 12.71 22.20 117.23 -124.64 -88.31 139.16 99.99 0.01 0.00 99.94 0.04 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 69.52 7.44 11.06 20.09 111.79 -106.26 -66.71 148.17 91.61 0.38 8.01 85.84 0.71 6.06 5.80 1.17 0.00 0.16 0.26 2 N C C 117.01 2.71 11.93 16.07 100.70 -129.63 -83.11 2.22 88.18 0.81 11.00 64.71 13.39 9.56 9.08 2.28 0.00 0.28 0.69 3 I C H 85.25 6.71 10.12 18.37 108.36 80.42 -90.68 115.59 61.66 1.17 37.17 33.71 23.75 4.56 35.39 1.60 0.01 0.29 0.71 4 K H H 141.64 2.40 13.31 16.75 94.47 -112.77 -63.31 -37.79 9.93 0.08 90.00 4.17 1.88 4.03 87.84 2.00 0.01 0.03 0.04 5 S H H 61.78 2.48 15.10 17.87 93.06 51.94 -66.59 -38.81 7.39 0.06 92.54 2.97 1.07 3.40 90.40 2.10 0.01 0.03 0.03 6 A H H 31.24 7.66 12.96 22.82 92.67 52.49 -65.42 -39.80 3.84 0.04 96.12 1.90 0.54 1.49 94.54 1.49 0.00 0.02 0.01 7 I H H 70.48 6.57 14.85 22.89 92.29 51.61 -64.22 -41.62 1.72 0.02 98.26 0.80 0.24 0.64 97.93 0.38 0.00 0.01 0.00 8 K H H 118.44 2.21 18.26 20.09 92.26 51.19 -64.71 -41.16 1.29 0.01 98.70 0.55 0.14 0.51 98.61 0.19 0.00 0.00 0.00 9 R H H 129.70 3.69 17.76 22.06 92.36 50.28 -65.55 -40.46 1.19 0.01 98.81 0.42 0.12 0.51 98.79 0.15 0.00 0.00 0.00 10 V H H 53.66 8.98 15.77 25.93 92.49 50.23 -65.38 -41.38 0.91 0.00 99.09 0.29 0.08 0.38 99.15 0.09 0.00 0.00 0.00 11 K H H 113.23 3.17 19.38 22.56 92.00 50.33 -64.60 -41.22 1.03 0.00 98.97 0.29 0.09 0.45 99.08 0.09 0.00 0.00 0.00 12 T H H 66.20 3.26 19.20 22.39 92.26 49.23 -65.25 -41.45 1.24 0.00 98.76 0.31 0.11 0.58 98.91 0.09 0.00 0.00 0.00 13 A H H 33.85 8.73 16.05 26.41 92.34 50.74 -65.07 -40.99 1.13 0.00 98.87 0.27 0.10 0.52 99.03 0.08 0.00 0.00 0.00 14 E H H 97.89 4.85 18.56 23.90 92.15 50.57 -64.91 -41.13 0.91 0.00 99.09 0.19 0.08 0.43 99.22 0.08 0.00 0.00 0.00 15 T H H 77.28 2.20 20.24 21.35 92.03 49.38 -64.84 -41.36 0.92 0.00 99.08 0.18 0.07 0.46 99.20 0.09 0.00 0.00 0.00 16 R H H 105.01 7.22 17.98 26.01 92.32 50.16 -65.18 -40.80 0.77 0.00 99.23 0.14 0.06 0.39 99.32 0.09 0.00 0.00 0.00 17 N H H 67.64 9.41 17.04 27.19 91.97 51.28 -64.24 -40.71 0.85 0.00 99.15 0.15 0.07 0.44 99.25 0.09 0.00 0.00 0.00 18 S H H 63.08 2.33 21.28 22.36 91.83 50.01 -64.64 -41.17 0.86 0.00 99.14 0.14 0.06 0.48 99.22 0.09 0.00 0.00 0.00 19 R H H 124.34 3.58 20.73 24.36 92.00 49.41 -65.12 -41.09 0.78 0.00 99.22 0.11 0.06 0.45 99.30 0.08 0.00 0.00 0.00 20 N H H 32.05 14.86 15.72 31.07 92.07 50.40 -64.93 -40.75 0.94 0.00 99.06 0.16 0.07 0.53 99.16 0.08 0.00 0.00 0.00 21 A H H 54.85 5.23 20.80 26.44 91.79 51.51 -64.10 -40.98 0.46 0.00 99.54 0.07 0.03 0.24 99.61 0.05 0.00 0.00 0.00 22 S H H 64.05 2.07 23.12 23.39 91.84 49.99 -64.50 -41.18 0.38 0.00 99.62 0.05 0.02 0.21 99.67 0.05 0.00 0.00 0.00 23 Q H H 46.60 13.23 18.65 32.24 91.89 49.19 -65.30 -41.72 0.30 0.00 99.70 0.03 0.02 0.18 99.73 0.04 0.00 0.00 0.00 24 R H H 77.17 15.07 18.57 32.99 91.16 52.28 -62.22 -42.05 0.26 0.00 99.74 0.03 0.02 0.16 99.76 0.03 0.00 0.00 0.00 25 S H H 61.85 2.25 24.23 24.81 91.28 50.30 -63.57 -41.21 0.39 0.00 99.61 0.05 0.02 0.24 99.66 0.04 0.00 0.00 0.00 26 A H H 47.50 5.60 22.53 28.48 91.61 50.00 -64.58 -41.05 0.41 0.00 99.59 0.04 0.02 0.27 99.63 0.04 0.00 0.00 0.00 27 M H H 14.90 21.41 16.18 37.57 91.74 50.39 -64.59 -42.27 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 28 R H H 114.45 7.64 22.67 30.84 91.23 51.28 -62.65 -41.83 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 29 T H H 74.46 2.09 25.17 25.22 91.31 49.50 -64.12 -42.04 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.02 0.00 0.00 0.00 30 A H H 13.68 14.78 19.45 35.21 91.37 50.34 -63.85 -42.49 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 31 I H H 24.80 18.49 18.73 36.92 91.32 50.68 -62.99 -42.63 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.02 0.00 0.00 0.00 32 K H H 116.29 2.48 24.81 26.27 91.37 50.61 -63.55 -41.91 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 33 K H H 101.85 4.63 23.98 28.56 91.66 49.29 -64.81 -41.15 0.33 0.00 99.67 0.03 0.01 0.23 99.68 0.05 0.00 0.00 0.00 34 F H H 13.06 21.39 16.43 37.86 91.84 50.33 -64.58 -42.43 0.18 0.00 99.82 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 35 D H H 66.39 9.15 21.92 31.28 91.47 50.90 -63.29 -41.73 0.28 0.00 99.72 0.03 0.01 0.16 99.72 0.07 0.00 0.00 0.00 36 E H H 107.84 1.75 23.96 23.31 91.84 49.75 -64.67 -41.66 0.62 0.00 99.37 0.06 0.04 0.44 99.32 0.15 0.00 0.00 0.00 37 A H H 16.03 10.54 15.73 28.63 91.63 50.40 -64.18 -41.36 1.44 0.00 98.56 0.21 0.13 0.90 98.37 0.39 0.00 0.00 0.00 38 A H H 28.63 14.48 13.39 28.13 92.38 51.48 -65.19 -39.57 3.52 0.01 96.48 0.48 0.26 2.50 95.73 1.02 0.00 0.00 0.00 39 A H H 84.93 1.66 17.20 18.75 91.76 52.84 -66.88 -31.66 9.77 0.01 90.22 0.53 0.66 8.32 89.44 1.03 0.01 0.00 0.01 40 N C T 114.17 1.71 15.42 16.81 96.49 41.88 -92.14 -1.31 68.60 0.04 31.36 1.34 3.97 61.29 31.96 1.39 0.00 0.01 0.04 41 N C T 112.89 3.53 15.02 20.03 100.10 -108.18 62.56 46.14 98.30 0.02 1.67 15.59 3.17 79.82 1.05 0.34 0.00 0.01 0.01 42 A C C 43.94 11.01 10.18 22.14 106.01 168.23 -74.70 138.37 68.48 0.20 31.32 59.73 4.14 6.14 14.40 15.37 0.00 0.08 0.15 43 D C T 119.65 1.36 18.42 19.02 94.95 -113.31 -65.83 -29.27 53.05 0.19 46.75 9.74 7.97 33.84 23.32 24.85 0.01 0.08 0.18 44 N H H 83.38 5.11 17.77 23.60 95.80 47.91 -82.09 -6.72 47.20 0.13 52.67 13.51 3.64 29.30 31.63 21.76 0.01 0.06 0.10 45 A H H 9.52 20.28 11.43 31.60 92.84 95.62 -62.63 -39.95 7.10 0.03 92.86 4.40 0.86 1.85 89.60 3.26 0.00 0.02 0.01 46 K H H 113.50 6.81 20.54 28.34 91.39 54.62 -62.13 -41.53 2.13 0.01 97.87 0.72 0.21 0.99 96.42 1.66 0.00 0.00 0.00 47 D H H 91.14 1.66 24.72 24.09 91.42 49.33 -64.51 -41.00 1.38 0.00 98.62 0.32 0.11 0.78 97.09 1.69 0.00 0.00 0.00 48 L H H 26.52 14.67 19.33 34.53 91.86 50.20 -64.53 -42.53 0.92 0.00 99.08 0.19 0.07 0.53 98.62 0.59 0.00 0.00 0.00 49 Y H H 25.79 21.34 18.17 38.80 91.60 51.23 -62.89 -42.93 0.27 0.00 99.73 0.06 0.02 0.13 99.73 0.07 0.00 0.00 0.00 50 V H H 76.56 4.42 24.88 29.17 91.37 50.01 -63.53 -42.45 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 51 E H H 94.47 3.83 25.97 29.45 91.52 49.12 -64.27 -41.93 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 52 A H H 4.32 21.56 18.50 40.48 91.28 50.26 -63.41 -42.96 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 53 S H H 25.57 16.07 21.54 37.07 91.36 51.40 -62.70 -42.15 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 54 K H H 125.42 1.94 26.33 26.89 91.36 50.53 -63.84 -41.52 0.30 0.00 99.70 0.01 0.01 0.25 99.70 0.03 0.00 0.00 0.00 55 K H H 76.74 9.95 23.82 33.81 91.75 48.68 -64.97 -41.38 0.68 0.00 99.32 0.04 0.04 0.52 99.32 0.08 0.00 0.00 0.00 56 L H H 6.10 24.24 16.98 41.28 91.66 49.57 -64.10 -42.52 0.52 0.00 99.47 0.07 0.04 0.32 99.33 0.23 0.00 0.00 0.00 57 D H H 65.74 7.50 23.54 31.34 91.30 50.97 -63.27 -41.27 0.83 0.00 99.17 0.11 0.05 0.52 99.10 0.23 0.00 0.00 0.00 58 S H H 56.44 2.77 24.22 25.87 91.86 49.93 -64.68 -41.24 1.21 0.00 98.79 0.08 0.07 0.96 98.54 0.35 0.00 0.00 0.00 59 A H H 8.74 15.31 15.98 32.81 91.88 51.07 -64.62 -41.58 1.38 0.00 98.62 0.18 0.13 0.93 98.21 0.54 0.00 0.00 0.00 60 V H H 42.94 13.80 15.24 29.32 92.12 50.95 -64.04 -41.28 2.21 0.01 97.77 0.27 0.20 1.70 96.37 1.45 0.01 0.00 0.00 61 S H H 89.01 1.28 18.44 18.97 90.66 53.32 -64.99 -30.21 7.78 0.01 92.20 0.22 0.34 7.56 90.41 1.44 0.01 0.00 0.01 62 K C T 121.90 3.75 15.26 20.07 92.51 53.42 -85.78 -2.62 80.87 0.02 19.11 0.26 1.63 79.45 17.16 1.46 0.00 0.01 0.03 63 G C T 53.38 3.28 16.72 21.09 95.29 -111.45 79.45 12.75 99.77 0.01 0.22 0.34 2.66 96.88 0.08 0.04 0.00 0.00 0.00 64 L C S 55.60 11.90 15.80 28.59 94.99 121.73 -77.42 -29.08 99.82 0.14 0.05 5.85 93.16 0.87 0.02 0.01 0.00 0.04 0.05 65 I C S 14.88 21.15 11.44 32.34 131.90 25.44 -133.34 149.36 95.43 4.48 0.09 9.18 86.53 0.52 0.04 0.02 0.00 0.87 2.84 66 H C C 106.28 3.16 21.51 23.92 116.61 -104.63 -70.51 150.60 99.06 0.83 0.11 98.45 0.68 0.06 0.06 0.01 0.00 0.53 0.20 67 K H H 124.78 8.68 13.34 23.42 91.53 -112.76 -57.86 -38.28 31.02 0.10 68.87 2.79 3.79 24.04 61.65 7.56 0.05 0.04 0.09 68 N H H 117.01 1.12 20.34 19.45 91.67 53.00 -65.04 -37.29 27.01 0.05 72.94 2.00 2.59 21.90 67.16 6.26 0.03 0.02 0.04 69 N H H 61.06 7.45 19.19 27.50 92.49 49.44 -67.28 -39.21 9.95 0.07 89.98 3.20 1.52 5.26 84.57 5.38 0.01 0.03 0.04 70 A H H 5.81 20.94 12.49 33.77 91.64 52.31 -63.20 -42.61 2.85 0.01 97.14 0.94 0.36 1.37 96.13 1.18 0.00 0.00 0.00 71 A H H 54.76 5.02 21.35 26.74 91.47 51.55 -63.48 -41.35 1.20 0.00 98.80 0.35 0.12 0.57 98.35 0.60 0.00 0.00 0.00 72 R H H 138.98 1.77 23.63 23.51 92.11 49.52 -64.76 -41.44 0.74 0.00 99.26 0.16 0.06 0.39 99.10 0.29 0.00 0.00 0.00 73 N H H 41.48 14.19 19.08 33.24 92.04 49.13 -65.61 -41.13 0.69 0.00 99.31 0.12 0.05 0.38 99.28 0.16 0.00 0.00 0.00 74 K H H 59.68 16.75 18.22 34.11 91.46 51.84 -62.37 -41.99 0.86 0.00 99.14 0.14 0.07 0.49 99.18 0.12 0.00 0.00 0.00 75 S H H 62.99 2.43 23.58 24.73 91.56 50.60 -63.82 -41.35 1.28 0.00 98.72 0.22 0.07 0.71 98.91 0.09 0.00 0.00 0.00 76 R H H 118.61 3.84 22.93 26.59 91.88 49.53 -64.88 -41.38 1.09 0.00 98.91 0.17 0.06 0.65 99.02 0.10 0.00 0.00 0.00 77 L H H 15.12 18.50 15.96 34.96 91.89 50.15 -64.35 -42.48 0.53 0.00 99.47 0.10 0.04 0.28 99.47 0.11 0.00 0.00 0.00 78 A H H 38.99 8.51 18.95 28.64 91.74 51.02 -63.16 -41.46 0.42 0.00 99.58 0.07 0.03 0.22 99.55 0.13 0.00 0.00 0.00 79 A H H 60.70 2.08 20.20 21.01 91.97 50.72 -64.12 -41.11 0.76 0.00 99.24 0.09 0.04 0.50 99.03 0.35 0.00 0.00 0.00 80 K H H 94.49 7.08 16.75 24.88 92.45 50.30 -66.56 -38.75 2.33 0.00 97.67 0.20 0.13 1.72 97.31 0.65 0.00 0.00 0.00 81 L H H 52.56 14.10 11.98 26.19 92.67 51.54 -68.65 -32.71 8.59 0.01 91.40 0.70 0.58 6.62 91.36 0.74 0.00 0.00 0.00 82 A H H 79.38 2.79 13.43 17.30 95.34 54.74 -77.78 -14.20 43.80 0.09 56.11 12.23 1.00 27.02 58.94 0.72 0.00 0.02 0.07 83 K C C 142.75 2.93 13.55 17.91 104.14 88.68 -78.18 75.50 99.95 0.00 0.05 99.60 0.11 0.25 0.04 0.00 0.00 0.00 0.00