# 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 A C C 73.16 5.45 11.58 18.83 122.61 -162.69 -115.15 151.57 99.42 0.54 0.04 99.24 0.22 0.12 0.01 0.01 0.00 0.33 0.07 1 G C C 53.60 3.08 10.51 15.39 123.09 146.22 -140.82 163.05 90.90 6.86 2.24 79.93 3.21 7.67 0.60 1.53 0.00 4.69 2.36 2 G C C 58.53 2.14 8.83 12.54 114.53 146.29 -128.01 160.44 87.37 8.38 4.25 50.21 20.74 16.50 0.85 3.73 0.00 5.05 2.92 3 G C C 55.85 2.29 7.95 11.88 116.95 -168.15 -115.73 159.19 85.24 6.44 8.32 48.14 22.00 14.92 1.39 7.50 0.00 3.59 2.45 4 A C C 92.30 1.57 7.85 10.67 107.46 -90.42 -85.66 87.86 83.60 4.69 11.71 38.15 22.49 23.24 1.68 10.15 0.01 2.49 1.78 5 H C C 158.11 1.33 7.35 9.86 106.78 62.65 -90.77 67.30 85.71 4.49 9.80 40.56 23.36 21.93 1.51 8.48 0.00 2.31 1.85 6 I C C 131.08 2.03 6.94 10.68 112.91 115.10 -97.76 121.83 89.10 5.32 5.58 55.56 25.19 8.34 1.41 4.11 0.00 2.71 2.67 7 E C C 146.70 1.45 8.67 11.44 116.52 -152.38 -98.32 131.72 95.11 3.94 0.95 70.09 23.79 1.49 0.37 0.55 0.00 2.14 1.57 8 P C C 102.11 3.20 7.01 12.24 113.83 -112.40 -71.00 140.63 91.74 4.24 4.02 73.25 9.92 8.32 1.09 3.05 0.00 2.61 1.76 9 R C C 166.69 2.13 7.95 11.84 116.38 -161.69 -106.24 135.29 83.42 11.19 5.39 62.16 10.94 9.24 1.79 3.75 0.00 5.45 6.67 10 Y C C 180.79 1.76 7.14 10.39 107.66 -146.38 -90.06 81.48 82.96 7.61 9.43 39.68 21.70 22.24 2.15 6.95 0.02 3.83 3.42 11 R C C 173.74 1.80 7.59 10.89 110.70 49.40 -97.14 112.94 90.30 3.17 6.52 35.62 32.58 22.40 1.31 5.06 0.00 1.53 1.50 12 Q C C 143.05 1.28 9.51 11.79 115.17 -133.47 -98.58 129.87 93.04 3.15 3.81 57.36 28.08 7.37 0.99 2.84 0.00 1.29 2.07 13 F C C 146.43 3.70 7.37 13.23 115.94 -118.01 -83.50 138.56 98.15 1.25 0.60 83.64 13.44 1.05 0.25 0.31 0.00 0.54 0.76 14 P C C 90.01 3.58 8.89 14.45 115.34 -107.23 -68.94 150.31 98.60 0.61 0.79 93.28 3.94 1.51 0.26 0.40 0.00 0.29 0.30 15 Q C C 152.05 1.02 11.63 13.09 112.62 -109.19 -80.40 132.31 98.15 1.05 0.80 93.32 3.83 0.95 0.43 0.28 0.00 0.36 0.83 16 L C C 81.44 9.77 6.33 16.50 116.31 -126.19 -85.05 140.23 99.01 0.58 0.41 95.95 2.87 0.23 0.29 0.08 0.00 0.19 0.40 17 T C C 81.02 1.73 12.92 14.72 119.06 -120.17 -78.33 161.54 98.70 0.69 0.62 97.79 0.90 0.21 0.42 0.07 0.00 0.18 0.42 18 R H H 179.15 1.50 10.27 13.03 92.20 -107.55 -58.98 -37.10 2.66 0.01 97.33 0.53 0.45 1.48 96.98 0.55 0.00 0.00 0.00 19 S H H 81.48 0.94 12.65 12.74 92.27 53.97 -65.28 -38.74 1.61 0.00 98.39 0.24 0.15 1.04 97.84 0.72 0.00 0.00 0.00 20 Q H H 83.49 4.51 12.41 18.49 92.38 49.37 -66.67 -39.25 0.49 0.00 99.50 0.11 0.05 0.27 99.02 0.55 0.00 0.00 0.00 21 V H H 59.04 7.73 12.13 21.42 91.91 51.77 -63.90 -42.49 0.17 0.00 99.83 0.03 0.01 0.09 99.77 0.09 0.00 0.00 0.00 22 I H H 97.70 1.97 16.50 18.02 91.80 49.42 -64.19 -42.03 0.19 0.00 99.81 0.03 0.01 0.11 99.81 0.05 0.00 0.00 0.00 23 Q H H 100.20 1.90 17.28 18.43 91.78 49.70 -64.61 -41.31 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 24 A H H 35.27 7.07 13.95 22.97 91.82 50.71 -64.25 -41.61 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 25 E H H 94.30 5.33 16.25 22.52 91.79 50.55 -64.46 -41.01 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.02 0.00 0.00 0.00 26 F H H 125.15 1.62 18.04 18.37 92.11 49.50 -64.48 -42.17 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 27 F H H 111.81 2.67 17.51 20.03 92.14 48.83 -64.94 -41.70 0.15 0.00 99.85 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 28 S H H 41.52 6.76 14.79 23.10 91.94 50.73 -64.37 -40.87 0.37 0.00 99.63 0.02 0.01 0.28 99.64 0.04 0.00 0.00 0.00 29 A H H 55.28 3.03 16.52 19.89 91.85 50.97 -64.10 -41.54 0.28 0.00 99.72 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 30 T H H 77.20 1.81 17.41 18.26 91.90 49.92 -64.90 -41.46 0.21 0.00 99.79 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 31 M H H 87.17 3.94 15.64 20.51 92.06 50.16 -64.84 -41.00 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 32 W H H 128.72 4.16 15.42 20.53 91.97 50.36 -64.41 -41.45 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.03 0.00 0.00 0.00 33 F H H 117.33 1.99 16.53 18.06 91.81 50.31 -64.19 -41.57 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 34 W H H 132.84 2.67 16.17 19.09 92.02 49.91 -64.55 -42.05 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 35 I H H 71.54 5.61 14.63 21.79 91.89 50.03 -64.36 -42.34 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 36 L H H 84.44 3.06 15.95 19.60 91.75 50.41 -64.01 -41.52 0.15 0.00 99.85 0.00 0.00 0.12 99.84 0.03 0.00 0.00 0.00 37 W H H 133.99 2.07 16.34 18.10 91.72 50.23 -64.55 -41.63 0.23 0.00 99.77 0.01 0.01 0.18 99.73 0.07 0.00 0.00 0.00 38 R H H 89.73 5.63 13.67 21.06 92.08 50.79 -65.01 -39.74 0.30 0.00 99.70 0.01 0.01 0.25 99.54 0.19 0.00 0.00 0.00 39 F H H 94.95 6.09 12.41 20.20 92.23 50.63 -66.42 -37.57 0.57 0.00 99.43 0.02 0.02 0.49 99.06 0.41 0.00 0.00 0.00 40 W H H 173.15 1.69 14.57 16.09 94.58 46.66 -73.67 -35.83 2.17 0.00 97.83 0.05 0.08 2.03 97.43 0.40 0.00 0.00 0.00 41 H H H 132.28 1.77 13.80 15.50 99.62 34.72 -92.18 -29.15 10.55 0.03 89.42 0.30 0.91 9.29 89.04 0.41 0.02 0.00 0.01 42 D C C 64.17 6.35 10.91 19.06 110.47 23.95 -130.73 72.69 91.95 0.38 7.67 68.10 12.50 9.63 8.67 0.65 0.00 0.12 0.33 43 S H H 59.98 5.31 11.23 18.69 93.72 162.59 -62.93 -34.36 16.35 0.15 83.50 2.66 1.77 11.28 68.60 15.48 0.06 0.08 0.08 44 D H H 93.12 3.11 13.93 18.16 91.93 58.31 -66.97 -32.68 9.42 0.04 90.53 0.60 0.68 7.53 76.94 14.16 0.03 0.02 0.02 45 A H H 50.16 6.62 11.82 20.10 93.40 54.47 -67.97 -35.14 5.55 0.04 94.41 0.51 0.48 4.20 80.84 13.91 0.02 0.02 0.01 46 V H H 83.62 5.60 12.46 19.39 95.13 48.27 -72.70 -35.97 11.08 0.13 88.79 0.93 1.31 8.81 80.75 7.94 0.13 0.07 0.06 47 L H H 105.64 3.04 13.16 16.91 98.59 40.30 -94.56 -10.16 40.99 0.82 58.20 3.63 7.68 30.49 52.78 4.15 0.38 0.31 0.58 48 G C T 43.19 3.96 12.84 18.36 109.52 -119.51 80.02 10.33 98.00 0.64 1.36 25.57 23.72 48.93 0.42 0.76 0.00 0.34 0.26 49 H C C 132.27 3.42 12.09 17.11 111.46 44.07 -94.93 121.92 96.72 2.30 0.97 64.03 26.33 6.24 0.22 0.81 0.00 1.04 1.32 50 F C C 98.87 8.29 9.17 18.84 116.29 -163.37 -103.41 124.30 97.71 2.03 0.26 82.84 13.76 0.97 0.08 0.19 0.00 0.87 1.29 51 P C S 96.26 3.23 14.12 18.43 105.30 -130.90 -71.08 131.20 99.29 0.58 0.13 35.48 61.35 2.54 0.03 0.11 0.00 0.27 0.23 52 Y C S 139.11 6.30 11.56 19.37 115.56 -50.19 -101.58 126.44 99.12 0.81 0.07 27.02 70.99 1.22 0.01 0.05 0.00 0.34 0.36 53 P C C 57.22 10.36 10.09 21.59 115.56 -120.04 -69.55 149.84 99.13 0.81 0.06 94.39 4.54 0.20 0.02 0.03 0.00 0.30 0.52 54 D C C 85.57 3.22 16.06 19.98 108.00 -118.95 -86.80 115.53 99.51 0.44 0.04 98.73 0.78 0.06 0.01 0.01 0.00 0.12 0.29 55 P H G 59.81 13.26 9.19 22.92 92.27 -158.64 -63.85 -23.79 12.34 0.09 87.57 1.33 1.09 8.13 1.06 88.32 0.00 0.06 0.01 56 S H G 85.40 2.35 13.91 17.32 90.80 65.51 -72.13 -15.71 11.19 0.05 88.76 0.44 0.69 8.89 1.04 88.90 0.00 0.03 0.00 57 Q H G 130.88 1.72 15.29 16.87 95.95 54.52 -90.77 -10.18 10.86 0.11 89.03 1.20 1.41 7.00 1.37 88.94 0.00 0.07 0.01 58 W C C 71.96 12.29 8.60 21.63 120.66 82.98 -103.91 141.94 92.15 1.88 5.98 65.38 24.03 2.63 2.53 3.02 0.00 0.60 1.81 59 T C C 56.11 4.35 17.12 22.39 126.02 -150.94 -100.55 165.63 87.21 8.77 4.02 71.24 11.62 1.65 3.13 0.93 0.00 1.80 9.64 60 D H H 63.07 11.81 11.08 23.60 92.35 -107.13 -60.95 -36.10 39.84 4.34 55.82 8.03 14.36 19.93 39.21 10.89 2.09 1.13 4.36 61 E H H 137.80 1.72 14.81 16.81 92.29 54.22 -65.22 -38.86 36.38 0.21 63.41 1.21 2.97 31.20 37.95 26.20 0.20 0.10 0.17 62 E H H 116.07 3.87 14.02 19.08 92.76 49.39 -69.69 -33.61 33.75 0.32 65.93 1.22 2.68 28.57 38.26 28.58 0.23 0.17 0.28 63 L H H 66.53 9.94 11.55 22.62 95.26 42.94 -92.99 -5.18 40.29 0.45 59.26 1.89 4.30 33.17 33.40 26.28 0.25 0.21 0.49 64 G C T 53.36 2.08 17.04 19.02 95.37 -112.37 79.68 13.67 99.32 0.15 0.53 16.21 7.38 75.83 0.13 0.28 0.00 0.08 0.08 65 I C C 51.98 11.20 9.32 21.90 118.02 128.79 -102.57 132.91 97.00 2.87 0.13 72.24 24.16 0.36 0.05 0.06 0.00 0.76 2.36 66 P C C 68.15 4.31 14.85 20.56 114.53 -109.65 -66.52 150.35 99.40 0.45 0.15 96.06 2.96 0.43 0.03 0.09 0.00 0.19 0.24 67 P C C 80.96 7.26 11.41 20.05 100.71 -105.19 -65.21 -12.37 79.53 1.18 19.29 47.55 10.20 19.36 1.98 19.68 0.00 0.59 0.65 68 D C T 104.23 3.45 11.00 15.85 100.42 57.56 -81.92 -4.69 76.51 1.51 21.99 26.95 17.34 31.38 1.87 20.99 0.00 0.76 0.71 69 D C C 101.28 3.62 9.12 14.39 101.54 85.38 -86.85 13.47 73.35 1.97 24.68 40.29 12.42 19.16 2.46 23.82 0.00 1.04 0.82 70 E C C 125.99 3.90 7.96 13.68 108.09 100.68 -86.62 95.28 89.83 1.24 8.93 78.58 3.26 8.93 2.43 5.48 0.00 0.67 0.66 71 D C C 116.27 1.96 11.22 14.46 108.24 -140.10 -83.97 104.67 99.87 0.06 0.07 99.51 0.20 0.21 0.03 0.01 0.00 0.03 0.01