# 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 75.93 13.28 14.75 27.87 118.46 -167.35 -101.89 133.88 99.75 0.23 0.01 99.75 0.07 0.02 0.01 0.00 0.00 0.13 0.01 1 K C C 129.11 4.81 16.43 22.68 116.82 -148.90 -99.70 130.65 74.76 23.40 1.85 73.27 1.09 0.95 1.16 0.51 0.00 18.13 4.89 2 I C C 55.23 15.96 10.93 26.55 116.05 -152.64 -98.72 127.70 69.94 26.04 4.02 59.78 5.96 3.03 2.44 1.75 0.00 22.86 4.17 3 T C C 70.81 6.27 16.61 23.80 118.68 -165.81 -106.12 149.55 75.86 18.46 5.68 59.92 9.89 5.24 3.55 2.32 0.00 16.50 2.59 4 S C C 61.05 9.49 14.00 24.03 105.60 -114.74 -85.59 36.02 73.08 10.09 16.82 44.89 17.32 10.87 12.50 4.72 0.03 7.76 1.91 5 S C C 66.96 6.20 16.34 23.20 103.42 92.21 -83.59 -9.92 66.61 4.13 29.26 32.39 17.94 16.32 23.74 5.75 0.05 2.74 1.07 6 N C H 71.67 9.82 16.87 27.04 100.76 61.68 -80.88 -11.30 56.36 4.22 39.41 31.56 12.67 12.52 33.58 5.73 0.05 2.83 1.06 7 F H H 52.25 17.39 14.86 31.37 96.61 69.90 -70.00 -34.52 28.63 8.00 63.37 18.90 5.76 6.33 54.50 6.24 0.10 6.88 1.28 8 A H H 48.60 9.50 18.18 28.22 96.90 61.60 -69.52 -35.80 20.14 11.63 68.23 12.38 3.74 5.47 59.14 6.44 0.10 11.79 0.94 9 T H H 66.71 7.01 19.87 27.23 97.18 53.87 -72.65 -33.05 17.75 16.42 65.83 10.49 3.18 4.98 57.38 6.11 0.11 16.70 1.05 10 I H H 43.51 15.07 16.08 31.09 99.67 56.65 -78.36 -27.03 18.78 15.94 65.28 11.38 3.50 5.13 58.02 5.14 0.12 15.41 1.30 11 A H H 38.50 13.00 16.00 29.13 103.11 55.61 -79.70 -6.74 29.56 10.91 59.53 17.07 5.09 8.45 53.83 4.22 0.11 9.91 1.32 12 T H H 74.98 6.39 16.85 23.94 103.29 57.78 -90.18 -6.43 44.39 6.38 49.23 19.64 9.57 16.40 44.08 4.04 0.16 4.89 1.22 13 S C H 57.97 7.91 13.96 22.75 103.73 59.55 -79.98 0.08 56.57 3.00 40.42 23.85 15.62 18.03 35.30 4.40 0.11 1.75 0.94 14 E C H 122.45 4.85 15.69 21.63 98.00 55.91 -73.77 -17.17 55.07 1.44 43.49 13.76 13.16 28.87 35.11 7.50 0.15 0.80 0.64 15 N C H 80.06 8.52 16.15 25.20 99.98 57.88 -81.60 -5.17 54.02 2.44 43.54 16.87 11.13 26.77 33.58 9.07 0.17 1.52 0.88 16 F H H 58.04 16.12 13.80 29.22 99.14 75.74 -77.86 -25.09 38.50 11.88 49.63 19.81 8.13 12.05 35.21 13.24 0.39 8.86 2.30 17 A H H 48.53 10.43 16.58 27.57 99.06 71.44 -73.12 -24.53 34.68 17.97 47.35 17.62 7.11 10.95 33.50 13.43 0.38 14.93 2.09 18 K H H 118.64 6.14 19.25 25.87 101.68 59.03 -84.66 -0.02 32.83 24.66 42.50 17.43 6.21 10.17 29.38 13.27 0.28 21.04 2.23 19 L C H 49.76 16.57 13.73 29.67 107.53 92.33 -85.07 90.23 37.56 26.16 36.27 23.56 6.81 7.73 26.07 10.48 0.15 22.78 2.43 20 S C C 56.26 10.05 17.91 28.14 108.74 122.82 -88.32 94.89 47.55 26.95 25.50 28.16 8.94 10.83 17.44 8.27 0.12 23.85 2.38 21 V C C 75.10 9.80 17.26 27.51 110.35 -148.87 -95.77 103.64 56.27 25.47 18.26 32.78 14.42 10.15 11.63 6.59 0.18 20.80 3.44 22 L C C 45.46 15.96 11.99 27.81 117.45 -155.08 -90.13 136.47 84.83 12.03 3.14 55.12 27.98 2.12 2.28 0.94 0.01 9.34 2.20 23 P C C 57.26 7.70 14.42 23.77 112.45 -107.25 -66.24 149.17 87.35 7.35 5.30 76.85 5.57 4.86 2.88 2.36 0.00 5.94 1.54 24 K C T 149.67 3.30 12.91 17.90 97.35 -110.69 -67.44 -25.47 85.06 2.09 12.86 19.45 18.66 47.28 4.98 7.46 0.02 1.10 1.07 25 N C T 119.64 2.14 13.74 16.48 100.36 47.08 -85.61 13.79 85.67 1.61 12.71 18.42 19.53 48.19 4.51 7.63 0.01 0.83 0.87 26 H C C 79.77 11.01 9.70 21.21 110.93 109.76 -90.47 107.47 83.72 3.73 12.54 54.94 18.94 9.70 6.02 6.42 0.00 1.66 2.31 27 R C C 149.73 4.80 14.35 20.44 100.14 146.48 -83.95 -16.10 79.13 3.04 17.82 51.96 19.01 7.78 14.55 3.77 0.01 1.36 1.56 28 E C C 101.83 5.52 15.84 22.37 112.29 70.23 -82.99 137.02 60.06 1.77 38.17 33.87 18.95 8.00 33.51 4.15 0.01 0.86 0.65 29 P C C 64.48 7.43 17.69 26.02 100.77 -90.78 -67.49 -20.77 55.59 2.20 42.20 40.26 6.42 8.69 38.57 4.05 0.01 1.30 0.72 30 I H H 27.25 20.35 13.97 33.20 96.40 56.30 -68.72 -34.80 33.04 3.85 63.11 24.83 4.28 5.92 56.52 4.84 0.03 2.45 1.13 31 K H H 97.10 10.32 19.15 29.49 93.29 59.50 -63.54 -41.08 15.17 1.86 82.98 7.98 2.58 5.62 74.56 7.23 0.05 1.60 0.37 32 G H H 35.68 3.46 21.91 24.96 92.65 50.38 -65.02 -40.18 13.89 0.89 85.22 4.94 2.15 7.03 77.09 7.74 0.07 0.77 0.21 33 L H H 40.81 13.64 19.34 33.10 92.74 50.71 -66.35 -41.09 13.29 0.95 85.77 5.08 2.20 6.63 78.68 6.34 0.06 0.79 0.23 34 F H H 22.53 21.14 17.09 37.50 92.48 48.10 -67.70 -40.25 10.92 1.58 87.50 6.19 1.86 3.81 84.41 2.17 0.02 1.21 0.32 35 K H H 108.98 5.67 22.90 29.10 91.98 52.75 -63.27 -41.63 3.93 0.32 95.75 2.02 0.59 1.56 94.71 0.81 0.01 0.27 0.04 36 S H H 52.16 3.99 23.78 27.37 92.11 49.38 -65.10 -41.32 2.74 0.23 97.03 1.24 0.36 1.26 96.18 0.73 0.00 0.20 0.03 37 A H H 9.31 18.45 18.33 37.20 91.92 50.63 -64.13 -42.45 1.65 0.06 98.29 0.69 0.22 0.79 97.65 0.60 0.00 0.04 0.01 38 V H H 32.43 15.68 20.01 35.45 91.76 50.16 -63.43 -42.32 1.21 0.03 98.76 0.38 0.15 0.65 98.28 0.50 0.00 0.02 0.00 39 E H H 111.31 2.39 24.78 25.97 91.68 50.16 -63.99 -41.53 1.97 0.03 98.00 0.45 0.21 1.26 97.33 0.72 0.01 0.02 0.01 40 Q H H 72.44 8.77 22.01 31.00 92.19 49.12 -65.51 -40.85 4.99 0.04 94.97 0.67 0.43 3.78 94.11 0.95 0.01 0.02 0.01 41 F H H 20.58 20.80 17.07 37.53 92.54 48.48 -66.97 -40.62 8.78 0.09 91.13 2.07 1.21 5.52 89.78 1.31 0.02 0.04 0.04 42 S H H 49.47 7.19 22.07 29.71 91.71 52.92 -63.85 -40.13 17.23 0.22 82.55 4.34 2.22 10.47 80.81 1.92 0.03 0.10 0.10 43 S H H 56.97 3.17 23.32 25.66 91.89 51.01 -65.74 -38.72 27.28 0.25 72.47 5.27 2.93 18.54 70.61 2.40 0.03 0.12 0.11 44 A H H 13.43 16.89 16.81 34.16 92.66 53.07 -65.52 -40.28 16.82 0.23 82.95 6.60 2.92 7.90 78.42 3.90 0.04 0.12 0.10 45 R H H 86.80 12.86 18.46 31.08 92.01 54.90 -63.41 -41.44 8.59 0.14 91.27 2.89 1.30 4.51 83.62 7.52 0.02 0.09 0.05 46 D H H 86.66 2.07 22.06 22.62 92.06 51.07 -65.15 -39.95 7.64 0.12 92.25 2.05 0.96 4.47 82.33 10.07 0.02 0.08 0.03 47 F H H 69.19 8.17 17.12 26.70 92.70 50.88 -66.26 -39.85 7.23 0.09 92.68 1.26 0.86 4.89 81.68 11.20 0.02 0.06 0.03 48 F H H 41.36 16.01 12.46 28.52 93.60 51.47 -70.70 -29.92 17.53 0.30 82.17 3.17 2.29 12.27 73.20 8.66 0.10 0.16 0.15 49 K H H 133.66 3.67 15.86 20.58 94.14 58.70 -73.81 -20.42 45.93 0.57 53.49 6.94 6.60 32.62 48.03 5.09 0.10 0.24 0.38 50 N C S 95.74 3.91 12.19 17.43 102.47 71.48 -83.50 19.62 84.05 1.84 14.11 33.58 35.85 14.22 12.14 2.12 0.02 0.52 1.54 51 E C T 144.65 2.58 12.05 15.89 100.36 -122.29 -74.97 -10.55 93.93 0.27 5.80 4.16 13.11 77.04 2.85 2.49 0.00 0.13 0.23 52 N C T 131.12 1.27 14.36 15.45 98.34 46.25 -86.46 26.07 96.84 0.25 2.91 10.83 12.37 73.86 1.04 1.64 0.00 0.14 0.13 53 Y C C 56.61 16.04 7.47 22.47 117.90 134.19 -91.13 138.65 93.82 3.24 2.94 66.51 24.30 2.34 1.90 1.05 0.00 0.92 2.97 54 S C C 59.21 3.03 17.25 20.30 117.31 -113.27 -73.68 154.90 97.39 0.82 1.79 95.57 1.56 0.46 1.53 0.17 0.00 0.27 0.44 55 K H H 133.18 5.59 13.05 20.51 92.70 -113.83 -59.74 -36.67 2.53 0.01 97.46 0.58 0.39 1.38 96.74 0.90 0.00 0.00 0.00 56 E H H 129.66 1.31 18.33 18.21 92.13 53.26 -64.49 -40.78 1.37 0.01 98.62 0.21 0.14 0.90 97.65 1.08 0.00 0.00 0.00 57 L H H 50.59 8.26 16.56 26.46 92.37 48.62 -65.97 -41.01 0.59 0.01 99.40 0.11 0.06 0.35 98.46 1.01 0.00 0.00 0.00 58 A H H 10.31 17.52 13.29 31.53 91.59 51.65 -62.91 -42.48 0.43 0.00 99.57 0.09 0.03 0.23 99.21 0.44 0.00 0.00 0.00 59 E H H 97.20 4.33 21.00 25.53 91.72 50.62 -64.31 -40.74 1.29 0.01 98.71 0.17 0.09 0.90 98.15 0.69 0.00 0.00 0.00 60 K H H 110.41 2.88 22.42 24.48 92.19 49.79 -65.72 -41.07 3.05 0.01 96.94 0.32 0.21 2.31 96.32 0.82 0.00 0.01 0.00 61 F H H 33.46 15.91 17.78 33.92 92.68 48.86 -65.50 -41.55 8.55 0.06 91.39 1.53 1.07 5.78 90.58 0.96 0.01 0.02 0.03 62 N H H 40.62 16.04 18.66 34.03 93.44 50.59 -65.87 -40.33 19.58 0.46 79.95 8.38 2.52 8.66 78.92 1.10 0.02 0.21 0.19 63 K H H 116.72 4.13 22.31 26.60 92.90 51.27 -65.49 -41.57 9.18 0.52 90.30 3.17 1.41 4.79 88.89 1.17 0.02 0.46 0.09 64 E H H 98.40 3.50 23.64 26.46 92.56 47.05 -65.84 -41.92 7.54 0.74 91.72 2.68 1.05 3.90 90.26 1.25 0.01 0.75 0.10 65 A H H 12.13 16.19 18.58 35.44 92.23 49.20 -64.73 -42.59 6.31 0.81 92.88 2.90 0.81 2.77 91.54 1.09 0.01 0.79 0.10 66 V H H 23.89 17.53 19.15 36.49 91.78 49.30 -63.43 -42.70 3.09 0.39 96.52 1.70 0.39 1.12 95.88 0.51 0.00 0.35 0.04 67 N H H 85.41 3.47 24.66 27.62 91.59 49.94 -64.16 -41.81 2.00 0.15 97.85 1.01 0.25 0.80 97.44 0.36 0.00 0.12 0.02 68 E H H 85.34 4.83 24.16 28.92 91.77 48.84 -65.01 -41.76 1.31 0.06 98.63 0.61 0.15 0.56 98.38 0.25 0.00 0.04 0.01 69 A H H 7.07 19.50 18.13 38.12 91.74 50.06 -63.90 -42.84 0.69 0.01 99.29 0.29 0.07 0.31 99.21 0.11 0.00 0.00 0.00 70 V H H 38.03 13.71 21.04 34.80 91.91 49.68 -63.39 -42.57 0.39 0.00 99.61 0.11 0.03 0.20 99.60 0.06 0.00 0.00 0.00 71 E H H 105.81 2.21 25.17 25.67 91.63 49.95 -63.72 -42.29 0.36 0.00 99.64 0.07 0.02 0.20 99.66 0.05 0.00 0.00 0.00 72 K H H 76.41 9.31 22.35 31.87 91.88 49.01 -65.13 -41.38 0.43 0.00 99.57 0.07 0.02 0.26 99.60 0.05 0.00 0.00 0.00 73 L H H 13.51 21.61 17.32 38.70 91.82 50.19 -64.36 -41.87 0.31 0.00 99.69 0.05 0.02 0.18 99.71 0.04 0.00 0.00 0.00 74 Q H H 87.16 6.87 22.92 30.15 91.37 51.36 -63.42 -41.44 0.26 0.00 99.74 0.04 0.01 0.15 99.76 0.03 0.00 0.00 0.00 75 K H H 112.46 2.60 24.73 26.09 91.75 49.61 -64.61 -41.51 0.31 0.00 99.69 0.04 0.02 0.19 99.71 0.04 0.00 0.00 0.00 76 A H H 13.79 15.95 18.95 35.54 92.02 50.42 -64.06 -42.33 0.29 0.00 99.71 0.04 0.01 0.17 99.73 0.04 0.00 0.00 0.00 77 I H H 34.70 15.33 19.11 34.47 92.03 49.44 -64.01 -42.22 0.29 0.00 99.71 0.04 0.02 0.16 99.73 0.05 0.00 0.00 0.00 78 D H H 79.37 2.48 23.29 24.47 91.68 50.32 -63.70 -41.50 0.54 0.00 99.46 0.08 0.03 0.31 99.50 0.07 0.00 0.00 0.00 79 L H H 59.23 5.77 19.45 26.31 92.04 50.08 -64.51 -41.66 0.80 0.00 99.20 0.12 0.05 0.52 99.12 0.19 0.00 0.00 0.00 80 A H H 11.02 15.88 13.00 30.06 91.82 51.26 -63.70 -41.51 1.50 0.01 98.49 0.25 0.12 0.99 98.25 0.39 0.00 0.00 0.00 81 E H H 106.67 5.11 15.88 22.22 92.01 50.76 -64.61 -39.35 4.30 0.02 95.68 0.55 0.32 3.18 94.97 0.96 0.01 0.01 0.01 82 K H H 153.91 1.16 15.76 16.24 91.56 53.54 -66.78 -29.55 12.61 0.03 87.36 0.71 0.68 10.93 86.58 1.05 0.02 0.01 0.02 83 Q C T 97.87 5.88 12.17 19.60 94.77 51.38 -88.62 -1.08 65.21 0.12 34.66 1.55 2.85 58.48 35.54 1.44 0.01 0.04 0.09 84 G C T 57.35 1.74 15.11 17.05 96.95 -108.51 80.41 14.73 97.50 0.22 2.28 9.52 5.19 83.04 1.59 0.45 0.00 0.12 0.08 85 I C C 64.40 11.72 8.11 20.30 114.26 143.15 -91.61 125.69 95.13 2.79 2.08 84.24 6.31 4.76 1.00 0.88 0.00 1.81 0.99 86 Q C C 136.58 2.01 14.27 17.21 113.75 -153.52 -98.78 125.91 95.64 3.08 1.28 92.14 1.17 2.84 0.51 0.42 0.00 1.96 0.94 87 F C C 99.70 12.50 11.71 23.95 116.38 -158.67 -99.08 129.96 99.91 0.08 0.01 99.86 0.07 0.02 0.00 0.00 0.00 0.04 0.01