# 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 V C C 74.90 8.80 14.15 24.06 116.69 -158.82 -102.47 125.80 99.00 0.92 0.08 99.17 0.12 0.05 0.04 0.01 0.00 0.53 0.09 1 L C C 86.21 8.23 11.20 20.61 111.63 -150.28 -89.22 125.21 75.98 11.34 12.67 71.81 1.47 3.21 8.33 3.79 0.00 8.03 3.38 2 R C C 145.64 5.02 11.27 17.83 110.41 -152.23 -89.42 114.42 61.69 9.19 29.12 41.26 9.72 11.14 12.53 16.41 0.04 6.62 2.28 3 D C C 104.63 3.51 12.20 17.23 102.95 61.96 -85.57 -3.92 60.35 3.90 35.75 27.74 14.10 19.54 11.68 23.23 0.04 2.43 1.24 4 N C C 96.21 5.40 13.76 20.37 105.71 61.79 -95.79 56.33 61.49 3.54 34.97 33.80 11.41 16.90 11.19 23.35 0.01 2.12 1.22 5 I C C 52.28 16.03 9.53 24.61 105.41 146.36 -92.00 44.27 67.23 7.89 24.88 48.29 8.53 10.00 9.12 16.04 0.01 5.05 2.95 6 Q C T 127.39 3.43 15.28 20.37 109.94 138.25 -80.70 122.51 82.44 6.19 11.37 23.58 10.27 48.94 5.62 5.35 0.04 4.03 2.16 7 G C T 52.67 3.44 17.45 21.54 99.28 19.46 83.83 -0.51 91.09 2.96 5.95 18.50 16.85 56.22 1.68 3.93 0.00 2.04 0.77 8 I C C 31.97 19.57 9.15 27.56 115.73 120.89 -91.13 128.47 93.96 4.83 1.21 80.15 12.71 0.89 0.82 0.42 0.00 2.10 2.92 9 T C C 70.53 3.38 20.86 23.73 123.12 -144.94 -89.97 160.96 96.41 2.30 1.29 93.78 2.34 0.35 1.21 0.14 0.00 0.75 1.44 10 K H H 112.34 9.84 13.84 24.51 92.56 -104.87 -58.38 -39.76 3.04 0.02 96.94 0.84 0.57 1.37 96.89 0.31 0.00 0.01 0.01 11 P H H 79.79 2.22 19.08 20.56 91.47 52.13 -63.30 -39.68 1.82 0.01 98.17 0.40 0.18 1.06 97.92 0.42 0.00 0.01 0.00 12 A H H 29.39 7.91 17.01 26.87 91.79 50.69 -64.68 -40.62 0.70 0.01 99.29 0.21 0.07 0.34 98.99 0.38 0.00 0.01 0.00 13 I H H 16.97 18.89 14.06 33.06 91.94 50.16 -64.44 -42.34 0.47 0.01 99.51 0.15 0.06 0.21 99.40 0.16 0.00 0.01 0.00 14 R H H 115.79 6.36 19.61 26.71 91.65 50.68 -63.51 -41.11 0.77 0.02 99.21 0.24 0.09 0.36 99.20 0.10 0.00 0.01 0.00 15 R H H 127.76 2.22 21.15 22.20 91.86 49.67 -64.66 -42.03 1.02 0.03 98.94 0.27 0.13 0.53 98.92 0.12 0.00 0.02 0.01 16 L H H 38.24 10.50 16.52 28.63 92.14 49.76 -64.93 -41.75 1.49 0.07 98.44 0.41 0.20 0.79 98.28 0.25 0.01 0.03 0.01 17 A H H 22.52 13.30 13.07 27.44 92.20 51.57 -63.65 -40.63 3.11 0.07 96.81 0.76 0.30 1.90 96.34 0.63 0.01 0.04 0.02 18 R H H 165.70 1.75 16.63 18.48 92.29 49.80 -66.10 -37.83 7.99 0.11 91.90 1.01 0.69 6.08 90.97 1.12 0.03 0.05 0.04 19 R H H 165.54 1.69 14.69 16.51 93.88 51.39 -71.21 -29.01 22.01 0.15 77.84 1.33 1.86 19.07 75.92 1.60 0.08 0.06 0.09 20 G C T 42.00 6.19 11.89 19.42 97.38 43.19 -88.47 -5.37 65.51 0.14 34.35 2.05 5.17 56.59 34.29 1.71 0.02 0.05 0.11 21 G C T 56.67 1.70 15.71 17.29 98.72 -113.35 79.96 13.25 98.64 0.31 1.06 25.94 10.38 62.52 0.39 0.49 0.00 0.18 0.09 22 V C C 49.08 13.56 7.53 20.98 113.98 149.76 -83.55 128.68 93.07 5.80 1.13 89.72 2.67 0.94 0.39 0.57 0.00 4.37 1.33 23 K C C 164.82 1.14 16.34 16.90 100.12 -173.59 -91.62 -21.35 91.57 7.49 0.94 61.25 27.15 3.33 0.20 0.80 0.00 6.54 0.73 24 R C C 156.12 2.49 16.69 19.90 125.92 22.75 -131.57 138.48 58.28 40.29 1.43 46.34 9.26 2.73 0.42 1.07 0.00 37.73 2.45 25 I E E 54.25 17.06 8.73 24.61 120.13 -168.56 -116.89 128.17 41.62 57.43 0.95 37.68 1.97 0.40 0.74 0.40 0.00 46.92 11.90 26 S C C 62.57 3.14 16.19 19.87 124.06 -164.61 -103.62 164.10 77.60 21.19 1.21 73.73 2.57 0.74 0.81 0.35 0.00 20.50 1.29 27 G H H 50.18 2.82 15.09 18.49 100.95 -26.73 4.44 -56.27 36.83 0.76 62.41 5.26 10.26 22.43 54.76 6.31 0.26 0.38 0.34 28 L H H 106.44 2.55 14.89 17.76 93.67 33.93 -68.44 -33.93 23.25 0.37 76.39 3.84 3.77 16.22 68.73 6.92 0.15 0.19 0.17 29 I H H 58.89 8.51 13.91 23.92 92.95 54.58 -65.03 -40.81 12.28 0.39 87.33 4.44 2.06 6.63 79.80 6.65 0.05 0.25 0.13 30 Y H H 73.48 11.58 13.88 26.28 92.16 52.91 -63.26 -41.90 4.03 0.11 95.86 1.87 0.64 1.78 93.48 2.13 0.01 0.07 0.02 31 E H H 118.31 2.42 18.66 21.00 92.11 50.03 -64.63 -40.82 2.70 0.04 97.26 0.80 0.33 1.54 95.66 1.63 0.01 0.02 0.01 32 E H H 106.56 3.17 19.00 22.16 92.54 48.10 -66.23 -41.00 4.42 0.03 95.56 0.60 0.39 3.21 94.23 1.53 0.01 0.01 0.01 33 T H H 29.69 13.76 15.79 30.18 93.26 47.24 -68.22 -40.24 8.67 0.04 91.29 1.11 0.76 6.45 90.60 1.05 0.01 0.01 0.02 34 R H H 94.93 10.89 17.70 28.80 91.94 53.59 -62.85 -41.37 4.19 0.02 95.79 0.91 0.40 2.55 95.69 0.44 0.00 0.01 0.01 35 G H H 35.13 2.93 20.21 22.87 91.81 50.99 -63.65 -41.44 3.44 0.01 96.55 0.47 0.25 2.46 96.31 0.50 0.00 0.00 0.00 36 V H H 65.31 5.42 19.83 25.98 91.84 49.86 -64.69 -41.79 0.67 0.00 99.32 0.13 0.05 0.39 99.22 0.20 0.00 0.00 0.00 37 L H H 36.59 14.09 16.52 31.24 91.89 50.61 -64.20 -41.91 0.15 0.00 99.85 0.03 0.01 0.07 99.83 0.06 0.00 0.00 0.00 38 K H H 100.32 6.85 19.27 26.74 91.78 51.64 -63.68 -41.26 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 39 V H H 79.68 2.58 20.63 22.41 91.77 49.88 -64.02 -42.53 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 40 F H H 82.10 7.75 19.20 27.80 91.93 48.84 -64.65 -42.21 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 41 L H H 40.77 13.49 16.77 30.86 92.03 50.30 -64.76 -41.12 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 42 E H H 96.14 4.76 19.96 25.17 91.83 51.13 -63.89 -41.28 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 43 N H H 79.20 3.42 20.78 23.98 92.10 49.49 -65.81 -40.83 0.35 0.00 99.65 0.02 0.01 0.25 99.70 0.02 0.00 0.00 0.00 44 V H H 38.99 11.38 18.20 30.50 92.23 49.17 -64.76 -42.69 0.49 0.00 99.51 0.05 0.02 0.32 99.57 0.04 0.00 0.00 0.00 45 I H H 56.01 11.06 18.36 30.09 91.82 50.28 -63.85 -42.41 0.37 0.00 99.63 0.07 0.03 0.20 99.60 0.09 0.00 0.00 0.00 46 R H H 135.58 2.43 22.28 23.91 91.68 50.00 -63.91 -41.89 0.41 0.00 99.59 0.06 0.03 0.26 99.54 0.11 0.00 0.00 0.00 47 D H H 66.62 5.08 20.85 26.27 91.97 48.66 -65.23 -40.93 0.82 0.00 99.17 0.11 0.05 0.57 99.11 0.15 0.00 0.00 0.00 48 A H H 18.48 13.96 16.21 31.28 91.90 51.06 -64.11 -41.58 1.25 0.01 98.74 0.19 0.10 0.82 98.64 0.24 0.00 0.00 0.00 49 V H H 62.94 6.54 19.35 26.80 91.86 50.12 -64.40 -41.35 2.25 0.04 97.71 0.42 0.25 1.40 97.54 0.36 0.01 0.02 0.01 50 T H H 73.50 2.15 21.06 21.80 91.88 49.85 -64.50 -41.98 4.29 0.10 95.62 1.00 0.54 2.60 95.17 0.60 0.01 0.05 0.02 51 Y H H 81.22 7.49 16.98 25.76 92.47 48.63 -66.12 -40.76 5.89 0.19 93.92 1.60 0.88 3.51 92.51 1.31 0.03 0.11 0.05 52 T H H 30.71 11.71 12.68 25.76 92.17 52.24 -66.36 -38.41 8.82 0.19 90.99 2.88 1.19 4.73 89.00 2.02 0.02 0.11 0.06 53 E H H 128.35 2.05 16.37 18.47 92.48 53.09 -65.67 -37.83 15.42 0.13 84.45 2.41 1.62 11.06 82.63 2.13 0.04 0.07 0.05 54 H H H 141.54 1.43 14.45 15.47 94.31 47.70 -76.03 -23.20 26.50 0.19 73.31 3.33 3.43 19.68 71.52 1.82 0.05 0.07 0.11 55 A C H 46.21 9.26 8.39 18.55 102.35 65.48 -82.81 1.07 66.64 0.65 32.71 19.93 15.91 29.51 31.92 2.06 0.02 0.21 0.43 56 K C T 179.12 0.57 14.20 13.30 96.30 -131.53 13.10 13.11 91.68 0.39 7.93 26.61 17.17 47.98 5.80 2.03 0.00 0.16 0.24 57 R C C 120.79 5.26 9.79 17.04 123.90 103.01 -109.12 146.58 92.65 1.01 6.34 54.47 24.53 13.76 3.52 2.64 0.00 0.42 0.66 58 K C S 162.17 2.05 13.48 16.54 97.13 -146.84 -82.55 -15.60 95.97 1.43 2.60 30.76 58.38 7.15 1.23 1.19 0.00 0.90 0.39 59 T C C 87.34 3.03 17.06 20.86 127.99 42.17 -130.00 144.48 72.19 24.76 3.05 44.87 23.66 4.63 1.62 1.69 0.01 19.53 3.98 60 V C C 34.24 17.99 9.78 27.20 118.31 -154.39 -108.67 129.23 66.67 32.18 1.14 60.93 5.41 0.33 1.10 0.28 0.00 24.26 7.69 61 T C C 63.58 4.03 21.06 24.86 124.24 -148.73 -92.12 163.45 81.04 18.15 0.81 81.22 1.25 0.16 0.79 0.10 0.00 14.36 2.11 62 A H H 56.48 10.65 14.00 25.46 91.21 -104.12 -58.34 -39.17 2.05 0.01 97.94 0.35 0.29 1.22 97.75 0.39 0.00 0.00 0.00 63 M H H 111.57 2.81 19.82 22.40 91.55 54.36 -64.29 -40.03 0.63 0.00 99.37 0.08 0.04 0.43 99.18 0.27 0.00 0.00 0.00 64 D H H 42.65 10.44 18.06 29.58 91.90 50.46 -65.39 -40.44 0.21 0.00 99.79 0.03 0.01 0.13 99.56 0.26 0.00 0.00 0.00 65 V H H 16.83 18.64 16.20 34.93 91.83 49.80 -64.26 -43.11 0.10 0.00 99.90 0.01 0.00 0.06 99.84 0.08 0.00 0.00 0.00 66 V H H 58.18 7.00 20.34 28.22 91.39 49.88 -63.49 -42.73 0.13 0.00 99.87 0.01 0.00 0.09 99.84 0.05 0.00 0.00 0.00 67 Y H H 106.19 3.22 22.06 24.79 91.71 49.10 -63.95 -42.06 0.26 0.00 99.74 0.02 0.01 0.19 99.69 0.09 0.00 0.00 0.00 68 A H H 14.22 12.08 16.27 30.36 91.32 50.98 -63.12 -42.76 0.62 0.00 99.38 0.07 0.03 0.43 99.27 0.21 0.00 0.00 0.00 69 L H H 36.30 12.78 14.95 28.83 92.02 49.93 -64.41 -40.89 1.88 0.01 98.11 0.28 0.15 1.27 97.67 0.61 0.00 0.00 0.00 70 K H H 135.20 2.45 16.82 19.80 91.97 50.42 -65.29 -39.23 4.88 0.02 95.10 0.64 0.36 3.52 94.20 1.26 0.01 0.01 0.01 71 R H H 152.48 2.64 14.93 18.36 92.83 51.18 -68.85 -32.04 13.86 0.06 86.07 1.16 1.03 11.34 85.01 1.39 0.02 0.02 0.03 72 Q C T 97.28 6.61 12.14 20.04 96.57 49.75 -87.07 -5.17 55.40 0.23 44.37 2.97 4.47 45.83 44.80 1.67 0.03 0.08 0.15 73 G C T 57.16 2.26 14.17 17.11 98.83 -111.83 77.81 12.69 95.11 0.33 4.56 19.48 9.60 66.33 3.28 1.01 0.00 0.16 0.13 74 R C C 122.19 6.46 11.35 19.58 119.51 131.56 -100.06 141.96 93.27 2.65 4.08 80.34 9.75 3.08 2.57 1.46 0.00 1.31 1.48 75 T C C 83.12 5.23 13.03 19.86 117.32 -139.31 -97.49 138.57 90.57 5.30 4.13 83.33 4.57 2.63 2.18 1.70 0.00 2.98 2.62 76 L C C 92.75 8.76 10.71 20.44 105.56 -139.96 -84.91 66.05 82.54 7.34 10.12 41.56 23.21 18.55 3.20 6.35 0.03 3.60 3.48 77 Y C T 153.79 4.27 11.67 17.33 110.27 35.82 -91.97 108.35 84.48 5.63 9.89 19.62 25.26 40.13 2.74 6.62 0.04 3.07 2.52 78 G C C 56.39 2.63 11.61 15.46 103.56 -12.08 80.30 4.37 89.70 3.37 6.92 34.54 23.68 31.85 1.37 5.39 0.00 1.76 1.41 79 F C C 135.70 4.77 8.52 14.94 107.20 102.95 -92.18 49.69 90.27 5.27 4.46 59.01 15.02 16.16 1.31 2.95 0.00 2.56 2.98 80 G C C 56.38 2.41 10.99 14.85 108.62 -72.31 88.21 10.60 96.46 2.13 1.41 80.05 4.46 12.11 0.35 0.86 0.00 1.33 0.83 81 G C C 51.17 3.76 12.55 17.94 112.11 -63.15 88.79 13.55 99.87 0.11 0.02 99.35 0.40 0.15 0.01 0.00 0.00 0.06 0.02