# 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 100.61 7.33 14.42 22.88 118.05 -145.72 -96.62 138.72 99.98 0.02 0.00 99.93 0.05 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 87.30 5.90 14.10 21.44 113.47 -112.12 -72.91 143.73 98.36 0.73 0.91 94.09 1.82 2.62 0.51 0.23 0.00 0.29 0.45 2 I C C 40.01 17.46 8.46 24.80 116.47 -118.18 -89.48 135.18 98.02 0.96 1.02 76.00 20.59 1.31 0.73 0.25 0.00 0.29 0.83 3 T C C 70.48 2.65 16.95 19.50 119.47 -123.00 -77.53 160.73 98.64 0.33 1.02 96.18 2.22 0.38 0.81 0.10 0.00 0.09 0.21 4 K H H 138.19 4.39 11.97 18.49 91.89 -110.05 -58.69 -38.89 3.02 0.01 96.97 0.91 0.60 1.29 96.82 0.36 0.00 0.00 0.00 5 E H H 130.99 1.16 16.09 16.08 92.18 52.58 -64.67 -40.50 1.41 0.00 98.59 0.26 0.16 0.80 98.42 0.36 0.00 0.00 0.00 6 E H H 74.01 7.67 15.21 24.34 92.05 48.56 -65.97 -39.83 0.57 0.00 99.43 0.15 0.05 0.29 99.19 0.33 0.00 0.00 0.00 7 K H H 42.62 17.26 13.21 30.14 91.65 51.89 -62.94 -42.03 0.24 0.00 99.76 0.05 0.02 0.12 99.72 0.10 0.00 0.00 0.00 8 Q H H 91.41 4.65 19.75 24.99 91.37 50.74 -64.00 -40.65 0.24 0.00 99.76 0.03 0.01 0.13 99.78 0.05 0.00 0.00 0.00 9 K H H 109.07 2.32 22.21 23.15 91.74 50.02 -64.40 -41.64 0.25 0.00 99.74 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 10 V H H 11.84 16.74 16.93 34.65 91.88 49.47 -63.80 -43.53 0.33 0.00 99.67 0.03 0.01 0.20 99.66 0.08 0.00 0.00 0.00 11 I H H 24.92 18.23 16.23 34.35 91.55 49.71 -63.43 -41.74 0.31 0.00 99.68 0.03 0.02 0.21 99.53 0.22 0.00 0.00 0.00 12 Q H H 119.89 2.36 20.94 23.09 91.62 50.77 -64.47 -38.88 1.20 0.00 98.79 0.05 0.04 1.06 97.38 1.46 0.00 0.00 0.00 13 E H H 111.59 3.69 20.55 24.33 92.39 49.12 -68.69 -34.73 6.01 0.00 93.99 0.11 0.18 6.02 92.04 1.65 0.00 0.00 0.00 14 F H H 36.09 17.25 14.13 31.30 99.55 36.88 -101.69 -8.67 19.95 0.03 80.02 1.13 1.71 16.90 78.08 2.12 0.02 0.01 0.03 15 A C C 33.39 15.60 12.68 28.28 105.86 98.50 -68.72 103.67 91.11 0.41 8.48 52.22 8.20 31.21 5.62 2.17 0.00 0.13 0.43 16 R C C 157.97 3.36 17.60 21.87 98.99 141.14 -91.30 -13.30 96.15 0.43 3.43 33.76 32.43 29.95 1.04 2.28 0.00 0.16 0.39 17 F C S 103.86 5.23 13.78 20.69 126.43 68.43 -114.64 145.60 99.26 0.55 0.19 30.51 68.11 0.50 0.06 0.08 0.00 0.12 0.63 18 P C T 116.26 1.92 14.08 17.14 105.72 -99.10 -61.09 133.65 99.55 0.06 0.39 0.44 3.17 95.97 0.01 0.35 0.00 0.03 0.03 19 G C T 58.71 1.92 15.58 17.92 95.65 26.80 82.25 -0.05 99.73 0.04 0.23 0.79 2.65 96.27 0.01 0.24 0.00 0.03 0.01 20 D C C 37.42 15.38 10.34 25.86 105.04 128.55 -79.02 100.06 98.62 1.20 0.18 93.86 4.15 0.40 0.05 0.11 0.00 0.34 1.10 21 T C C 81.09 6.94 18.09 25.86 99.35 153.83 -99.40 -0.71 99.24 0.43 0.32 55.67 8.03 35.52 0.08 0.21 0.00 0.19 0.30 22 G C T 34.44 11.43 18.06 29.32 97.34 -15.40 70.55 2.93 99.22 0.46 0.32 20.15 35.44 43.66 0.07 0.25 0.00 0.20 0.22 23 S C C 37.60 8.86 20.14 30.19 117.59 128.93 -77.15 144.31 99.32 0.36 0.32 86.97 12.03 0.17 0.29 0.04 0.00 0.06 0.44 24 T H H 44.40 16.34 17.58 33.70 92.16 -126.21 -60.39 -36.68 1.26 0.00 98.74 0.14 0.18 0.77 98.80 0.12 0.00 0.00 0.00 25 E H H 91.33 10.43 22.19 32.52 91.68 54.96 -63.67 -40.67 0.42 0.00 99.58 0.03 0.02 0.29 99.56 0.10 0.00 0.00 0.00 26 V H H 29.51 13.79 21.54 35.62 92.21 48.86 -66.01 -42.04 0.07 0.00 99.93 0.01 0.00 0.04 99.89 0.06 0.00 0.00 0.00 27 Q H H 37.93 17.37 22.84 39.22 91.80 50.66 -63.70 -42.90 0.03 0.00 99.97 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 28 V H H 18.88 18.65 23.06 41.20 91.49 49.76 -63.61 -43.12 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 29 A H H 27.34 11.11 25.10 36.93 91.55 50.43 -63.77 -42.16 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 30 L H H 36.48 13.95 24.75 38.63 91.68 49.57 -64.53 -42.62 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 31 L H H 16.84 20.54 22.68 42.58 91.95 49.79 -64.39 -42.29 0.15 0.00 99.85 0.01 0.01 0.08 99.89 0.01 0.00 0.00 0.00 32 T H H 34.24 14.05 23.17 36.94 91.88 50.54 -64.25 -41.59 0.19 0.00 99.81 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 33 L H H 62.06 7.28 24.61 32.47 91.74 50.18 -64.30 -42.06 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 34 R H H 61.69 13.75 22.65 36.00 91.88 50.03 -64.32 -42.06 0.23 0.00 99.77 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 35 I H H 16.66 20.00 19.03 38.84 91.80 50.02 -63.66 -42.41 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 36 N H H 77.92 6.06 23.42 29.66 91.55 50.83 -64.10 -40.96 0.31 0.00 99.69 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 37 R H H 108.62 5.34 23.16 28.67 91.84 49.60 -65.00 -40.67 0.50 0.00 99.50 0.03 0.02 0.35 99.53 0.07 0.00 0.00 0.00 38 L H H 16.17 18.42 17.41 35.99 92.17 50.50 -65.24 -41.21 0.46 0.00 99.54 0.04 0.02 0.31 99.54 0.09 0.00 0.00 0.00 39 S H H 31.09 11.13 18.67 30.77 91.61 52.58 -63.25 -41.17 0.55 0.00 99.45 0.05 0.03 0.35 99.44 0.12 0.00 0.00 0.00 40 E H H 103.31 2.10 22.32 22.75 91.87 50.42 -64.48 -41.08 0.85 0.00 99.15 0.08 0.04 0.61 98.98 0.28 0.00 0.00 0.00 41 H H H 53.68 8.80 16.99 27.44 92.20 49.57 -65.66 -40.14 1.12 0.00 98.88 0.07 0.06 0.90 98.37 0.60 0.00 0.00 0.00 42 L H H 30.78 14.93 12.01 27.52 91.93 52.15 -66.02 -36.47 2.09 0.00 97.91 0.15 0.14 1.71 96.87 1.13 0.00 0.00 0.00 43 K H H 142.48 2.02 16.23 18.56 92.50 52.00 -67.46 -34.75 8.28 0.00 91.71 0.31 0.42 7.47 90.81 0.97 0.00 0.00 0.00 44 V H H 106.55 1.55 15.11 16.18 97.14 41.71 -80.09 -33.81 16.13 0.01 83.85 0.51 1.76 13.49 83.56 0.64 0.02 0.00 0.01 45 H C C 86.13 7.54 10.19 19.17 108.77 35.97 -118.99 74.60 88.29 0.26 11.44 53.65 21.09 12.27 11.48 1.14 0.00 0.06 0.32 46 K C T 149.93 2.97 12.84 17.61 98.73 -162.12 -60.61 -10.90 95.37 0.15 4.48 12.69 10.74 71.86 1.42 3.11 0.00 0.07 0.11 47 K C T 150.24 2.42 14.04 17.05 98.33 51.52 -83.52 26.90 95.60 0.16 4.24 9.86 14.48 71.16 1.13 3.18 0.00 0.07 0.11 48 D C C 48.97 10.72 9.62 21.55 106.63 116.92 -91.92 101.79 94.54 0.28 5.18 87.54 5.29 2.38 2.68 1.74 0.00 0.08 0.28 49 H H H 128.41 3.09 14.90 19.38 94.64 159.92 -69.86 -31.12 34.93 0.18 64.89 14.73 6.09 14.88 55.48 8.62 0.01 0.07 0.13 50 H H H 116.80 2.92 17.41 20.34 92.80 56.06 -66.70 -37.38 22.50 0.09 77.41 4.72 3.14 14.16 69.32 8.54 0.02 0.04 0.05 51 S H H 22.63 12.94 13.72 27.75 92.11 52.77 -65.97 -38.44 13.38 0.09 86.53 4.93 1.86 6.32 78.70 8.10 0.01 0.05 0.04 52 H H H 83.10 10.19 17.32 27.94 92.00 53.86 -63.82 -40.64 6.59 0.05 93.36 2.84 1.01 2.81 90.29 3.00 0.00 0.02 0.02 53 R H H 137.53 1.97 22.20 22.69 91.79 50.77 -64.35 -41.76 1.64 0.00 98.36 0.42 0.20 0.82 98.06 0.50 0.00 0.00 0.00 54 G H H 20.30 8.37 18.85 28.63 91.76 50.83 -63.77 -41.91 1.06 0.00 98.94 0.23 0.10 0.58 98.74 0.35 0.00 0.00 0.00 55 L H H 24.93 17.91 16.08 33.91 92.05 50.53 -64.20 -41.83 0.50 0.00 99.50 0.09 0.04 0.28 99.35 0.24 0.00 0.00 0.00 56 L H H 88.81 5.12 21.57 27.05 91.62 50.71 -64.14 -40.91 0.31 0.00 99.69 0.04 0.02 0.19 99.61 0.15 0.00 0.00 0.00 57 M H H 105.17 2.75 22.82 24.41 91.74 49.55 -64.95 -41.29 0.55 0.00 99.45 0.05 0.03 0.38 99.40 0.14 0.00 0.00 0.00 58 M H H 30.67 15.19 18.15 33.75 91.87 49.56 -64.91 -41.98 0.87 0.00 99.13 0.08 0.04 0.64 99.09 0.16 0.00 0.00 0.00 59 V H H 33.45 14.33 18.75 33.41 91.67 50.26 -63.83 -42.21 0.53 0.00 99.47 0.06 0.03 0.34 99.48 0.09 0.00 0.00 0.00 60 G H H 32.99 2.90 22.53 24.73 91.24 50.92 -63.04 -42.25 0.64 0.00 99.36 0.07 0.03 0.42 99.40 0.08 0.00 0.00 0.00 61 Q H H 74.19 6.67 21.73 28.88 91.62 49.29 -64.70 -41.36 0.47 0.00 99.53 0.05 0.03 0.30 99.56 0.07 0.00 0.00 0.00 62 R H H 35.26 18.96 17.28 35.70 91.82 50.77 -63.98 -41.55 0.28 0.00 99.72 0.03 0.01 0.18 99.73 0.05 0.00 0.00 0.00 63 R H H 109.90 8.09 21.37 29.87 91.46 51.63 -63.14 -41.33 0.15 0.00 99.85 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 64 R H H 130.19 2.26 24.21 25.04 91.55 50.13 -64.25 -41.63 0.19 0.00 99.81 0.01 0.01 0.14 99.80 0.05 0.00 0.00 0.00 65 L H H 24.29 15.05 19.76 35.31 91.77 49.96 -64.49 -42.46 0.20 0.00 99.80 0.01 0.01 0.15 99.79 0.05 0.00 0.00 0.00 66 L H H 17.93 18.58 17.69 36.36 91.57 51.06 -63.04 -41.55 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 67 R H H 125.87 2.87 23.67 25.73 91.39 51.26 -63.54 -41.49 0.27 0.00 99.73 0.02 0.01 0.18 99.72 0.07 0.00 0.00 0.00 68 Y H H 78.09 5.62 20.57 27.24 91.69 50.14 -63.89 -42.23 0.39 0.00 99.61 0.03 0.02 0.26 99.57 0.12 0.00 0.00 0.00 69 L H H 11.65 18.12 13.99 32.91 91.90 50.39 -64.63 -40.99 0.43 0.00 99.57 0.04 0.03 0.28 99.45 0.20 0.00 0.00 0.00 70 Q H H 77.58 10.47 15.12 26.31 91.47 53.09 -64.65 -36.55 1.54 0.00 98.46 0.10 0.08 1.21 98.21 0.40 0.00 0.00 0.00 71 R H H 173.64 1.10 17.87 17.59 92.88 49.14 -70.55 -33.75 5.21 0.00 94.79 0.13 0.22 4.78 94.50 0.36 0.00 0.00 0.00 72 E H H 112.20 4.01 15.46 20.34 100.21 35.83 -91.74 -31.62 12.37 0.02 87.61 0.31 1.58 10.13 87.69 0.26 0.01 0.00 0.01 73 D C C 56.54 8.26 13.19 23.10 114.30 11.22 -138.42 85.48 99.64 0.05 0.31 95.76 3.29 0.57 0.29 0.03 0.00 0.01 0.04 74 P H H 67.63 9.12 12.05 22.96 93.81 169.98 -62.22 -35.82 2.21 0.00 97.79 0.43 0.17 1.29 97.45 0.66 0.00 0.00 0.00 75 E H H 138.69 1.15 19.16 18.72 91.67 53.67 -64.50 -40.49 0.70 0.00 99.30 0.03 0.04 0.56 98.86 0.51 0.00 0.00 0.00 76 R H H 95.60 7.13 18.11 26.20 92.02 48.84 -65.74 -40.69 0.21 0.00 99.79 0.02 0.01 0.14 99.43 0.40 0.00 0.00 0.00 77 Y H H 17.57 20.70 13.48 34.09 91.58 51.01 -62.99 -43.16 0.10 0.00 99.90 0.01 0.00 0.06 99.82 0.11 0.00 0.00 0.00 78 R H H 115.86 5.90 20.80 27.40 91.34 50.93 -63.05 -41.36 0.10 0.00 99.90 0.00 0.00 0.06 99.90 0.04 0.00 0.00 0.00 79 A H H 50.23 2.64 21.73 23.52 91.50 50.53 -63.35 -42.45 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 80 L H H 17.45 15.71 17.16 33.88 92.01 49.67 -64.22 -43.10 0.17 0.00 99.83 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 81 I H H 20.15 17.37 14.79 32.58 91.86 49.62 -63.56 -42.73 0.27 0.00 99.73 0.03 0.01 0.17 99.68 0.11 0.00 0.00 0.00 82 E H H 132.51 1.68 18.76 19.87 91.79 49.44 -64.29 -40.89 0.76 0.00 99.24 0.05 0.03 0.56 98.97 0.38 0.00 0.00 0.00 83 K H H 132.39 2.82 16.98 20.38 91.51 51.35 -65.78 -34.21 4.18 0.00 95.82 0.12 0.14 3.93 95.34 0.48 0.00 0.00 0.00 84 L H H 43.16 14.87 12.06 27.24 94.22 47.09 -87.67 -5.88 43.83 0.03 56.14 0.55 1.52 41.27 55.60 1.00 0.01 0.01 0.03 85 G C T 54.48 1.86 19.79 20.94 95.24 -116.96 72.80 23.81 98.74 0.05 1.22 6.86 3.13 88.96 0.81 0.21 0.00 0.02 0.02 86 I C C 41.06 17.18 9.18 25.47 106.94 136.43 -92.89 80.67 96.74 0.90 2.36 84.20 6.44 6.28 1.16 0.91 0.00 0.39 0.61 87 R C C 153.57 4.05 14.32 20.12 114.98 144.74 -97.03 129.01 96.97 1.28 1.75 89.49 1.78 6.09 0.80 0.54 0.00 0.64 0.66 88 G C C 52.68 3.50 16.30 20.78 106.81 12.65 79.63 -4.92 99.97 0.03 0.01 99.79 0.14 0.06 0.00 0.00 0.00 0.01 0.00