# 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 E C C 126.63 4.55 13.82 20.02 114.37 -149.46 -90.41 131.11 99.83 0.14 0.02 99.58 0.25 0.06 0.01 0.00 0.00 0.06 0.04 1 T C C 94.21 4.98 11.15 17.92 115.54 -144.34 -93.21 133.51 96.91 1.10 1.99 93.04 1.40 2.98 0.84 0.60 0.00 0.55 0.59 2 G C C 41.59 7.53 10.78 19.41 115.45 -108.96 -74.39 162.94 96.33 1.00 2.67 70.03 15.66 10.65 0.67 1.94 0.00 0.52 0.53 3 A C C 77.29 3.63 14.63 19.45 113.09 -83.53 -79.66 140.31 94.83 1.39 3.78 61.51 24.77 8.47 0.93 2.87 0.00 0.65 0.80 4 S C C 75.45 5.90 14.27 21.67 112.42 -109.89 -86.45 133.96 96.04 1.22 2.75 67.89 22.64 5.45 0.69 2.02 0.00 0.54 0.77 5 S C C 31.33 15.19 9.46 24.32 116.19 -119.84 -82.47 140.47 97.60 0.97 1.43 92.32 3.44 2.07 0.48 0.69 0.00 0.42 0.58 6 T C S 107.86 2.04 18.05 20.33 98.48 -166.07 -94.48 -14.74 98.30 0.59 1.11 44.86 51.53 2.09 0.58 0.38 0.00 0.18 0.39 7 N C S 70.15 5.04 20.37 25.64 135.40 22.71 -138.41 164.39 94.30 4.00 1.70 11.73 81.69 0.84 1.53 0.14 0.00 0.68 3.40 8 M H H 48.11 18.15 15.47 33.13 91.75 -103.05 -59.92 -39.08 2.65 0.01 97.34 0.49 0.68 1.46 96.84 0.53 0.01 0.00 0.01 9 L H H 58.50 12.95 18.91 31.85 91.95 52.01 -63.66 -41.92 1.46 0.00 98.54 0.20 0.14 1.01 97.97 0.67 0.00 0.00 0.00 10 E H H 88.65 3.48 22.95 25.96 91.61 49.07 -65.01 -40.60 0.47 0.00 99.53 0.11 0.04 0.28 99.04 0.53 0.00 0.00 0.00 11 A H H 14.02 12.97 18.72 33.26 91.59 51.04 -63.38 -42.76 0.22 0.00 99.78 0.07 0.02 0.11 99.71 0.10 0.00 0.00 0.00 12 L H H 11.28 21.27 18.76 39.93 91.46 49.35 -64.49 -42.17 0.16 0.00 99.84 0.04 0.01 0.09 99.83 0.04 0.00 0.00 0.00 13 Q H H 82.61 7.35 23.53 31.08 91.32 50.76 -63.15 -41.85 0.12 0.00 99.88 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 14 Q H H 78.45 4.51 24.13 28.63 91.57 49.76 -64.30 -41.55 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 15 R H H 37.03 17.09 20.59 37.26 91.63 50.17 -64.22 -41.64 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 16 L H H 25.89 17.15 19.19 36.35 91.24 50.78 -63.04 -41.52 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 17 Q H H 106.17 2.29 24.81 25.85 91.45 50.41 -63.78 -41.60 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 18 F H H 88.47 6.58 22.51 29.53 91.68 49.18 -64.42 -41.96 0.25 0.00 99.75 0.01 0.01 0.18 99.77 0.03 0.00 0.00 0.00 19 Y H H 14.98 21.10 16.22 37.37 91.96 49.50 -64.45 -42.40 0.33 0.00 99.67 0.04 0.01 0.21 99.69 0.05 0.00 0.00 0.00 20 H H H 95.13 8.22 21.44 30.07 91.46 50.91 -62.99 -41.35 0.34 0.00 99.66 0.03 0.02 0.23 99.67 0.05 0.00 0.00 0.00 21 G H H 38.78 2.02 23.86 23.91 91.81 49.93 -64.19 -42.02 0.77 0.00 99.23 0.06 0.04 0.55 99.27 0.08 0.00 0.00 0.00 22 Q H H 44.34 11.56 19.28 31.66 92.40 49.13 -66.19 -40.62 0.63 0.00 99.37 0.08 0.04 0.39 99.41 0.08 0.00 0.00 0.00 23 V H H 26.84 16.40 15.82 32.39 91.68 52.01 -63.07 -42.43 0.38 0.00 99.62 0.06 0.03 0.20 99.66 0.06 0.00 0.00 0.00 24 A H H 61.22 2.17 22.56 23.15 91.42 50.09 -63.30 -41.67 0.47 0.00 99.53 0.07 0.03 0.25 99.56 0.08 0.00 0.00 0.00 25 R H H 122.47 2.49 21.07 22.62 91.93 49.25 -65.27 -40.93 0.58 0.00 99.42 0.06 0.04 0.38 99.38 0.14 0.00 0.00 0.00 26 A H H 9.37 14.00 11.79 27.62 91.54 50.94 -63.81 -41.19 1.00 0.00 99.00 0.14 0.09 0.62 98.82 0.33 0.00 0.00 0.00 27 A H H 60.96 5.42 14.65 21.46 92.04 51.21 -64.36 -39.84 2.58 0.01 97.41 0.30 0.16 1.89 96.99 0.64 0.00 0.00 0.00 28 L H H 134.43 0.84 15.50 15.03 91.37 52.90 -66.26 -30.64 8.46 0.01 91.53 0.32 0.50 7.56 91.10 0.51 0.01 0.00 0.01 29 E C T 117.46 2.89 12.34 16.41 94.85 48.28 -90.56 4.95 84.64 0.02 15.34 0.52 2.04 80.96 15.87 0.58 0.00 0.01 0.02 30 N C T 139.50 0.83 14.51 14.71 94.17 -114.95 62.76 33.93 99.61 0.01 0.38 2.21 2.31 95.21 0.21 0.05 0.00 0.00 0.00 31 N C C 63.49 7.45 10.24 19.64 107.22 140.34 -107.70 83.63 99.02 0.21 0.77 98.04 0.83 0.37 0.47 0.09 0.00 0.05 0.15 32 S H H 75.19 3.24 13.77 18.84 94.37 173.86 -66.00 -33.55 10.61 0.03 89.35 5.50 1.65 3.57 88.14 1.12 0.00 0.01 0.02 33 G H H 45.50 1.88 18.06 19.12 92.10 55.32 -64.47 -40.50 3.60 0.01 96.39 0.58 0.46 2.31 95.54 1.10 0.00 0.00 0.00 34 K H H 76.97 8.82 16.43 26.28 92.50 48.74 -66.68 -39.15 1.10 0.01 98.90 0.28 0.11 0.58 98.25 0.77 0.00 0.00 0.00 35 A H H 23.09 13.45 14.01 28.48 91.85 53.15 -62.76 -42.19 0.52 0.00 99.48 0.11 0.05 0.26 99.20 0.38 0.00 0.00 0.00 36 R H H 142.93 2.01 22.84 23.64 91.47 50.27 -64.20 -41.02 0.63 0.00 99.37 0.09 0.04 0.39 99.24 0.24 0.00 0.00 0.00 37 R H H 109.24 5.44 22.02 27.65 91.78 50.17 -64.82 -41.86 0.63 0.00 99.37 0.07 0.03 0.40 99.36 0.14 0.00 0.00 0.00 38 F H H 32.09 18.21 17.29 35.28 91.89 50.50 -64.28 -41.17 0.64 0.00 99.36 0.07 0.03 0.41 99.37 0.12 0.00 0.00 0.00 39 G H H 25.47 8.34 21.30 30.46 91.30 52.71 -62.63 -41.15 0.65 0.00 99.35 0.07 0.03 0.40 99.41 0.09 0.00 0.00 0.00 40 R H H 121.30 2.98 24.87 26.99 91.60 50.20 -64.77 -41.38 0.45 0.00 99.55 0.06 0.03 0.25 99.59 0.07 0.00 0.00 0.00 41 I H H 26.42 14.84 20.39 35.64 91.63 50.12 -63.73 -43.16 0.42 0.00 99.58 0.05 0.02 0.26 99.59 0.08 0.00 0.00 0.00 42 V H H 23.60 16.87 19.41 36.33 91.73 49.88 -63.45 -42.25 0.43 0.00 99.57 0.06 0.02 0.26 99.60 0.06 0.00 0.00 0.00 43 K H H 115.20 2.89 25.13 27.41 91.39 50.37 -63.81 -41.56 0.48 0.00 99.52 0.07 0.03 0.29 99.54 0.06 0.00 0.00 0.00 44 Q H H 67.34 8.00 22.80 31.28 91.75 49.92 -64.43 -41.63 0.39 0.00 99.61 0.04 0.02 0.26 99.63 0.06 0.00 0.00 0.00 45 Y H H 22.12 21.06 18.20 38.73 92.07 50.02 -65.14 -41.81 0.25 0.00 99.75 0.02 0.01 0.15 99.77 0.04 0.00 0.00 0.00 46 E H H 83.53 9.09 22.87 32.07 91.42 51.14 -62.76 -41.95 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 47 D H H 77.82 2.70 25.56 27.05 91.50 49.49 -64.51 -40.90 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 48 A H H 9.64 15.91 18.47 35.53 91.58 50.77 -63.42 -42.57 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 49 I H H 26.20 15.52 19.05 35.08 91.61 50.53 -63.52 -42.43 0.18 0.00 99.82 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 50 K H H 112.77 2.39 23.41 24.52 91.48 50.53 -63.61 -42.14 0.24 0.00 99.76 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 51 L H H 52.30 6.25 17.87 25.78 91.82 49.46 -64.46 -41.87 0.55 0.00 99.45 0.06 0.04 0.36 99.35 0.19 0.00 0.00 0.00 52 Y H H 52.60 15.25 12.87 28.24 92.25 50.47 -64.60 -41.70 0.88 0.00 99.12 0.08 0.05 0.66 98.77 0.44 0.00 0.00 0.00 53 K H H 138.61 3.76 15.79 20.92 90.74 52.44 -64.77 -29.76 6.76 0.01 93.23 0.14 0.20 6.66 92.49 0.50 0.01 0.00 0.00 54 A C T 79.09 1.59 14.54 15.91 92.28 53.75 -84.72 -3.56 82.99 0.01 17.01 0.13 0.58 82.74 16.11 0.43 0.00 0.00 0.01 55 G C T 56.62 2.38 13.01 16.64 94.58 -105.76 82.51 9.98 99.83 0.00 0.17 0.40 0.66 98.85 0.07 0.01 0.00 0.00 0.00 56 K C C 115.06 3.57 13.40 18.90 118.66 136.97 -92.94 141.38 99.84 0.15 0.01 96.92 2.92 0.02 0.00 0.00 0.00 0.05 0.08 57 P C C 97.91 3.82 16.66 21.85 112.60 -104.25 -67.13 141.76 99.64 0.34 0.01 97.69 1.97 0.06 0.00 0.00 0.00 0.11 0.17 58 V C C 24.76 19.66 9.94 28.83 123.17 -159.30 -118.32 133.94 96.94 3.04 0.02 93.00 4.06 0.04 0.01 0.01 0.00 0.73 2.15 59 P C C 65.16 4.32 21.55 25.93 107.67 -117.17 -73.44 121.75 98.86 1.09 0.04 98.50 0.61 0.06 0.01 0.02 0.00 0.36 0.44 60 Y H G 77.66 18.41 11.06 28.43 93.06 -154.65 -64.63 -27.62 19.03 0.21 80.77 2.91 2.41 11.07 0.87 82.59 0.00 0.13 0.03 61 D H G 117.18 1.92 17.94 20.21 90.51 64.94 -71.05 -15.96 17.62 0.11 82.26 0.93 1.48 12.60 0.68 84.23 0.00 0.06 0.01 62 E H G 113.37 4.97 17.79 23.71 96.11 54.66 -93.91 -4.91 17.16 0.22 82.62 2.58 2.48 9.60 0.84 84.34 0.00 0.12 0.04 63 L C S 17.81 22.58 10.34 32.00 117.40 97.52 -85.02 135.34 98.95 0.67 0.38 28.31 70.18 0.49 0.13 0.14 0.00 0.18 0.57 64 P C C 54.53 9.07 21.14 30.86 114.29 -111.53 -68.56 145.33 98.31 1.51 0.18 89.32 8.34 0.47 0.06 0.12 0.00 0.56 1.14 65 V C C 59.85 15.62 16.44 31.55 119.38 -127.07 -93.97 138.28 98.08 1.85 0.08 86.30 11.31 0.16 0.03 0.04 0.00 0.47 1.69 66 P C C 33.73 15.03 14.43 29.91 115.38 -104.71 -65.78 149.89 99.56 0.32 0.12 95.55 3.51 0.46 0.03 0.07 0.00 0.10 0.27 67 P C T 89.90 6.03 16.72 23.78 109.49 -94.04 -61.37 139.59 97.15 0.22 2.64 4.11 7.65 85.27 0.31 2.38 0.00 0.11 0.18 68 G C T 60.50 1.78 16.43 18.01 96.38 20.93 84.14 -1.73 97.03 0.25 2.72 5.00 6.94 84.98 0.37 2.43 0.00 0.14 0.14 69 F C C 69.67 14.10 10.45 24.34 106.15 102.72 -97.30 46.23 90.01 3.44 6.55 52.93 27.70 8.51 1.65 4.72 0.00 1.08 3.40 70 G C C 40.87 5.69 15.38 21.86 112.88 -143.65 -66.59 166.01 87.88 1.63 10.49 58.63 16.39 12.80 4.21 6.06 0.00 0.73 1.17 71 G C C 46.17 5.65 14.72 21.29 109.31 -17.57 -50.45 -16.25 72.81 1.97 25.23 39.10 16.75 17.56 11.08 13.33 0.01 0.84 1.32 72 S C C 64.37 8.43 12.19 21.34 104.75 0.64 -78.19 41.64 61.64 2.45 35.91 37.91 11.38 12.29 18.18 17.71 0.02 1.18 1.31 73 E C C 119.69 5.26 13.34 19.97 105.61 83.07 -83.14 54.36 53.04 2.92 44.04 29.74 10.07 13.25 23.21 20.88 0.04 1.55 1.27 74 N C C 93.33 6.54 11.90 19.65 108.42 66.99 -85.82 94.51 54.75 2.70 42.55 32.20 8.98 13.46 20.91 21.81 0.02 1.46 1.15 75 L C C 99.61 6.53 10.95 18.78 106.63 98.47 -87.02 55.42 56.86 4.32 38.82 34.63 9.72 12.78 18.14 20.62 0.03 2.59 1.50 76 Y C C 146.56 4.79 10.42 16.80 112.58 90.93 -95.35 119.12 61.18 7.76 31.07 35.50 10.89 15.77 13.46 16.84 0.08 4.81 2.64 77 F C C 129.29 5.85 8.42 15.74 112.60 -147.02 -96.95 122.52 77.60 4.94 17.45 65.00 2.26 11.66 8.86 6.81 0.00 3.32 2.09 78 Q C C 128.05 3.34 12.12 17.25 113.35 -156.99 -95.22 126.91 99.88 0.09 0.02 99.80 0.08 0.05 0.01 0.00 0.00 0.05 0.01