# 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 105.87 6.41 11.84 19.64 117.39 -161.08 -96.07 136.15 99.87 0.10 0.03 99.80 0.09 0.04 0.01 0.00 0.00 0.04 0.02 1 A C C 63.11 5.59 9.47 16.67 113.86 -135.25 -86.51 143.92 80.45 2.21 17.34 73.68 1.62 7.11 8.85 6.40 0.00 1.22 1.13 2 D C C 106.50 3.09 9.58 14.30 102.15 -124.35 -80.11 4.71 69.52 2.53 27.95 41.00 13.12 16.01 11.55 15.73 0.01 1.33 1.24 3 Q C C 125.61 3.34 9.80 14.64 101.47 72.57 -82.58 -2.40 65.99 2.22 31.79 36.62 13.36 16.53 12.18 19.05 0.01 1.12 1.14 4 E C C 124.23 4.06 10.08 15.77 104.34 86.10 -81.86 14.08 71.21 1.89 26.90 40.10 14.53 16.87 11.29 15.20 0.01 0.91 1.09 5 N C C 119.20 2.68 11.54 15.57 104.65 61.04 -90.26 27.73 84.39 1.62 13.99 46.20 22.19 16.44 5.67 7.76 0.00 0.72 1.01 6 S C C 54.62 7.49 10.18 19.25 118.05 128.90 -101.18 136.43 96.07 2.38 1.55 52.46 41.90 2.02 0.76 0.68 0.00 0.96 1.22 7 P C C 86.59 4.88 15.44 21.43 109.30 -119.54 -70.32 141.16 93.26 3.41 3.33 69.26 16.89 7.00 1.11 2.28 0.00 1.99 1.47 8 L C C 62.56 14.96 11.31 25.85 114.70 -133.54 -92.87 128.06 88.04 8.07 3.89 70.64 11.65 5.12 1.45 2.56 0.00 4.70 3.89 9 H C C 115.55 5.99 17.80 25.12 118.85 -166.99 -110.43 133.65 84.05 12.93 3.02 71.03 9.31 2.69 1.41 1.69 0.00 7.41 6.47 10 T C C 51.84 13.70 12.54 26.25 122.39 -159.53 -108.95 143.60 78.36 18.70 2.94 59.16 14.57 3.38 1.36 1.68 0.00 8.27 11.56 11 V C T 81.67 8.42 15.72 24.85 108.64 -102.29 -72.10 129.45 88.89 6.18 4.94 15.68 20.03 53.27 1.11 3.66 0.02 3.77 2.47 12 G C T 45.35 5.90 17.32 24.01 100.75 2.51 85.75 -2.91 94.44 2.12 3.44 13.92 23.17 57.31 0.52 3.01 0.00 1.39 0.66 13 F C C 81.06 11.23 12.97 25.04 123.32 79.19 -112.26 143.89 79.08 17.62 3.30 45.74 23.85 9.34 0.85 2.55 0.01 7.03 10.64 14 D C C 55.14 9.33 13.49 24.43 110.12 -128.27 -92.27 119.39 84.70 14.20 1.09 73.92 7.68 2.02 0.44 0.68 0.00 6.66 8.60 15 A C T 68.22 6.73 13.28 21.42 93.55 -154.05 -66.62 -24.19 96.68 1.37 1.95 5.83 26.57 64.35 0.30 1.58 0.00 0.79 0.59 16 R C T 161.69 2.39 15.08 17.85 93.87 61.33 -73.82 -23.09 97.19 1.05 1.76 3.51 33.08 60.82 0.20 1.37 0.00 0.59 0.43 17 F C S 80.16 7.67 10.84 20.29 109.26 30.76 -129.46 67.98 91.46 7.27 1.27 40.21 47.53 3.62 0.39 0.88 0.00 2.78 4.60 18 P C T 74.73 8.17 11.15 20.90 94.93 169.23 -62.07 -25.98 91.98 2.28 5.74 14.91 10.19 66.98 1.43 4.19 0.00 1.34 0.95 19 Q C T 137.97 2.17 15.32 17.81 95.44 48.96 -89.62 3.91 88.20 2.04 9.76 10.39 12.90 64.66 3.23 6.56 0.03 1.17 1.07 20 Q C S 85.70 7.11 14.94 23.38 121.71 86.92 -98.85 145.07 79.80 5.30 14.90 23.54 32.42 24.76 6.77 7.06 0.07 2.31 3.07 21 N C C 77.42 10.70 16.83 27.81 103.42 -110.81 -74.58 92.07 81.03 5.62 13.35 44.59 12.62 24.17 8.36 4.58 0.02 2.51 3.16 22 Q C C 41.09 15.55 17.49 33.28 99.65 163.41 -97.90 3.86 60.44 3.51 36.05 49.21 5.25 5.36 34.71 2.19 0.00 1.35 1.93 23 T H H 32.88 17.32 17.94 34.74 93.49 106.80 -60.99 -42.98 16.38 0.28 83.34 10.52 2.42 3.95 81.88 1.01 0.00 0.11 0.11 24 K H H 110.98 5.55 24.10 30.12 91.87 51.60 -64.42 -40.41 2.88 0.03 97.09 0.87 0.38 1.50 96.75 0.48 0.00 0.01 0.01 25 H H H 68.97 9.96 23.40 33.55 91.86 49.95 -65.23 -41.01 0.90 0.00 99.10 0.21 0.09 0.48 98.91 0.31 0.00 0.00 0.00 26 C H H 6.92 22.25 19.24 41.30 92.03 50.35 -64.35 -43.12 0.60 0.00 99.40 0.12 0.04 0.34 99.29 0.21 0.00 0.00 0.00 27 W H H 60.09 15.58 23.30 38.22 91.51 49.80 -63.85 -42.42 0.23 0.00 99.77 0.03 0.01 0.13 99.77 0.06 0.00 0.00 0.00 28 Q H H 82.35 6.35 26.71 33.55 91.64 50.31 -63.86 -42.17 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 29 S H H 13.52 16.52 22.46 39.10 91.84 50.10 -64.53 -42.16 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 30 Y H H 23.57 20.38 22.57 42.13 91.59 50.11 -64.42 -42.76 0.18 0.00 99.82 0.01 0.01 0.14 99.83 0.02 0.00 0.00 0.00 31 V H H 40.69 10.29 24.92 35.83 91.60 49.54 -64.33 -42.72 0.10 0.00 99.90 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 32 D H H 48.81 8.72 25.21 34.62 91.67 50.40 -64.05 -42.03 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 33 Y H H 21.49 19.49 21.16 40.20 92.07 49.75 -64.23 -42.72 0.12 0.00 99.88 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 34 H H H 45.58 13.58 22.47 36.03 91.74 50.05 -63.92 -42.09 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 35 K H H 93.21 4.42 24.45 28.82 91.71 49.99 -63.87 -42.07 0.12 0.00 99.88 0.00 0.00 0.09 99.87 0.03 0.00 0.00 0.00 36 C H H 13.74 11.89 17.20 31.25 91.57 50.01 -63.80 -42.35 0.44 0.00 99.56 0.02 0.02 0.32 99.57 0.07 0.00 0.00 0.00 37 V H H 26.24 12.87 14.70 28.91 91.89 49.54 -64.12 -42.57 0.80 0.00 99.20 0.06 0.07 0.57 99.18 0.11 0.00 0.00 0.00 38 N H H 107.90 2.42 17.03 19.86 92.90 46.92 -66.69 -39.86 2.68 0.01 97.31 0.14 0.18 2.28 97.08 0.29 0.01 0.00 0.00 39 M H H 124.27 2.37 15.00 17.86 94.70 41.86 -72.97 -36.34 11.68 0.02 88.30 0.31 0.80 10.76 87.50 0.59 0.03 0.01 0.01 40 K H H 119.44 3.88 12.89 18.01 98.56 28.87 -101.53 -6.88 25.77 0.09 74.14 1.27 4.09 20.02 73.83 0.65 0.05 0.02 0.07 41 G C C 58.42 1.36 14.26 15.87 95.49 -120.40 75.12 17.66 98.47 0.18 1.36 48.18 21.95 28.29 0.31 1.07 0.00 0.08 0.12 42 E C C 86.17 8.53 10.28 20.21 120.99 137.40 -86.28 148.38 97.61 0.53 1.86 59.23 25.85 12.23 0.32 1.77 0.00 0.22 0.37 43 D C C 115.92 1.95 16.69 18.93 107.09 -119.21 -86.96 102.66 98.52 0.27 1.21 81.31 9.44 7.66 0.21 1.07 0.00 0.13 0.17 44 F C C 64.92 13.47 10.15 23.78 115.76 168.27 -103.10 136.03 96.49 0.42 3.09 84.64 10.84 0.83 2.71 0.37 0.00 0.09 0.52 45 A H H 72.94 1.96 19.87 20.87 93.31 -116.41 -59.79 -42.29 4.36 0.00 95.64 0.82 0.75 2.43 95.05 0.96 0.00 0.00 0.00 46 P H H 49.25 8.68 17.92 27.88 91.88 49.39 -65.03 -38.31 2.85 0.00 97.14 0.29 0.23 2.09 95.99 1.39 0.00 0.00 0.00 47 C H H 7.21 20.78 13.57 34.74 91.62 51.22 -64.33 -41.20 0.97 0.00 99.02 0.15 0.08 0.61 97.96 1.21 0.00 0.00 0.00 48 K H H 100.89 6.38 21.91 28.81 91.52 52.13 -63.13 -40.83 0.23 0.00 99.77 0.04 0.02 0.12 99.63 0.19 0.00 0.00 0.00 49 V H H 66.84 4.79 23.14 27.92 91.52 50.38 -63.66 -42.70 0.19 0.00 99.81 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 50 F H H 18.11 19.72 19.19 38.78 91.62 49.61 -63.91 -43.27 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 51 W H H 58.71 17.60 20.01 36.66 91.49 51.05 -62.39 -42.34 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 52 K H H 115.04 3.03 24.90 27.38 91.67 50.43 -64.13 -41.44 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 53 T H H 31.61 11.09 21.05 33.05 91.98 49.25 -64.58 -42.81 0.15 0.00 99.85 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 54 Y H H 11.40 23.50 16.70 40.10 92.27 48.73 -65.47 -42.02 0.37 0.00 99.63 0.02 0.01 0.31 99.44 0.21 0.00 0.00 0.00 55 N H H 71.14 11.92 19.25 31.08 91.30 53.80 -65.87 -30.94 2.56 0.00 97.43 0.09 0.10 2.41 96.09 1.30 0.00 0.00 0.00 56 A H H 71.69 3.38 22.44 25.50 91.88 57.41 -72.34 -22.94 15.02 0.00 84.98 0.18 0.36 15.49 82.56 1.40 0.00 0.00 0.00 57 L H H 46.35 14.81 17.54 32.42 99.56 39.68 -97.46 -19.36 29.17 0.02 70.81 0.48 1.95 26.70 69.68 1.16 0.02 0.00 0.02 58 C C S 11.57 21.38 12.04 33.18 130.00 47.72 -125.73 147.56 99.56 0.36 0.08 8.70 90.80 0.20 0.04 0.01 0.00 0.08 0.16 59 P C C 55.75 5.55 18.78 25.47 112.99 -100.85 -64.09 145.11 98.93 0.82 0.26 98.54 0.44 0.13 0.16 0.03 0.00 0.21 0.49 60 L H H 107.33 5.95 13.61 21.41 91.78 -116.76 -57.91 -37.34 2.53 0.00 97.47 0.33 0.29 1.77 95.52 2.09 0.00 0.00 0.00 61 D H H 103.79 1.40 19.11 19.21 91.30 56.02 -64.28 -37.66 1.19 0.00 98.81 0.06 0.06 1.00 96.36 2.51 0.00 0.00 0.00 62 W H H 46.88 13.06 15.61 29.73 92.04 50.01 -66.22 -40.53 0.53 0.00 99.47 0.04 0.03 0.41 97.04 2.48 0.00 0.00 0.00 63 I H H 23.23 16.51 14.13 31.15 91.77 51.60 -63.37 -42.67 0.46 0.00 99.54 0.04 0.03 0.35 98.74 0.84 0.00 0.00 0.00 64 E H H 111.74 1.96 21.59 22.10 91.41 50.78 -63.52 -41.69 1.20 0.00 98.80 0.05 0.05 1.11 98.18 0.60 0.00 0.00 0.00 65 K H H 100.06 4.01 20.48 24.58 91.72 49.72 -64.62 -41.74 1.59 0.00 98.41 0.07 0.07 1.46 97.95 0.44 0.00 0.00 0.00 66 W H H 22.05 18.30 14.59 33.36 91.95 49.79 -64.25 -42.55 0.91 0.00 99.09 0.12 0.07 0.64 98.82 0.35 0.00 0.00 0.00 67 D H H 59.01 6.90 18.42 26.55 91.50 50.84 -63.39 -41.38 0.45 0.00 99.55 0.08 0.03 0.25 99.49 0.16 0.00 0.00 0.00 68 D H H 79.76 1.64 19.65 19.52 91.71 49.87 -64.14 -41.02 0.36 0.00 99.64 0.03 0.02 0.23 99.56 0.15 0.00 0.00 0.00 69 Q H H 45.70 8.34 14.03 24.51 91.96 50.23 -65.08 -40.86 0.41 0.00 99.59 0.04 0.03 0.27 99.38 0.29 0.00 0.00 0.00 70 R H H 85.54 11.53 11.85 23.96 91.94 51.50 -64.05 -41.15 0.69 0.00 99.31 0.07 0.03 0.49 98.81 0.60 0.00 0.00 0.00 71 E H H 150.25 1.02 14.80 15.22 91.16 51.29 -65.37 -32.54 4.01 0.00 95.98 0.10 0.12 3.86 95.34 0.58 0.00 0.00 0.00 72 K C T 142.19 1.40 13.59 14.69 92.83 50.35 -86.08 -2.94 62.87 0.02 37.10 0.30 0.91 61.82 36.11 0.83 0.01 0.00 0.02 73 G C T 51.52 3.81 12.38 18.03 95.33 -113.82 76.81 15.90 99.62 0.02 0.36 1.89 3.10 94.76 0.16 0.08 0.00 0.01 0.01 74 I C C 92.72 5.44 15.08 21.84 100.20 126.47 -94.41 -4.57 97.62 1.76 0.62 58.50 36.50 2.69 0.22 0.37 0.00 0.66 1.06 75 F C C 51.48 17.02 10.31 26.66 117.72 85.11 -107.26 125.51 94.65 4.32 1.03 52.78 37.72 4.12 0.29 0.73 0.00 1.81 2.54 76 A C C 62.09 6.08 17.94 24.89 102.57 -154.23 -76.38 22.34 93.73 3.40 2.87 55.04 22.02 16.37 0.43 2.88 0.00 2.11 1.16 77 G C C 33.92 8.59 15.23 24.51 129.95 29.45 -148.89 172.31 89.91 6.18 3.91 39.80 31.05 19.23 0.46 3.86 0.00 3.80 1.80 78 D C C 97.00 4.46 16.78 22.50 114.00 -91.22 -97.10 126.06 89.39 7.23 3.38 76.84 7.79 4.37 0.67 3.02 0.00 4.73 2.59 79 I C C 71.24 14.63 10.07 24.17 102.93 -161.62 -89.25 5.74 88.90 6.63 4.47 63.11 14.72 10.68 1.03 3.73 0.00 4.39 2.34 80 N C C 113.86 2.89 13.10 17.39 103.71 87.95 -88.52 46.20 91.94 4.19 3.87 60.96 15.92 14.80 0.79 3.36 0.00 2.89 1.27 81 S C C 65.84 6.28 8.51 16.43 111.93 139.52 -92.02 126.41 95.12 2.18 2.70 87.49 2.14 5.92 0.64 1.62 0.00 1.42 0.76 82 D C C 118.32 2.02 12.84 15.96 104.73 -146.49 -88.60 51.46 99.93 0.06 0.02 99.77 0.11 0.07 0.00 0.00 0.00 0.03 0.01