# 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 R C C 137.18 6.48 15.50 22.87 108.12 -146.87 -83.64 105.69 98.85 0.29 0.86 98.43 0.28 0.29 0.73 0.05 0.00 0.13 0.08 1 A C C 57.18 7.91 11.90 20.83 102.08 -117.85 -72.09 -25.48 52.44 1.24 46.32 44.95 1.90 6.58 40.08 5.29 0.00 0.70 0.50 2 K H H 131.12 3.89 14.08 19.12 99.51 43.29 -73.69 -29.38 43.54 1.68 54.78 27.76 7.55 9.92 45.84 7.37 0.02 0.94 0.60 3 A H H 52.97 9.38 11.86 22.07 99.28 55.08 -72.73 -27.91 37.53 1.61 60.86 24.04 6.93 8.38 50.43 8.73 0.03 0.91 0.55 4 K H H 123.04 5.27 15.16 21.58 99.02 59.40 -77.10 -20.91 37.28 1.54 61.18 23.84 7.15 8.26 52.90 6.45 0.02 0.83 0.54 5 S H H 53.74 7.56 14.51 23.13 104.72 68.85 -84.34 28.15 43.55 1.83 54.62 27.99 7.59 9.55 47.66 5.55 0.02 0.99 0.66 6 R H H 113.03 9.46 15.35 25.29 100.13 71.04 -78.04 -16.22 40.21 2.47 57.33 24.25 8.57 9.83 49.28 5.81 0.05 1.35 0.85 7 S H H 41.17 11.90 13.58 25.95 100.76 70.41 -75.36 -21.92 42.66 3.43 53.92 26.96 7.73 10.18 45.50 6.43 0.05 2.05 1.11 8 S H H 68.49 6.09 15.72 22.74 96.01 59.74 -72.17 -25.05 44.33 3.89 51.78 25.18 8.52 12.69 41.57 8.30 0.08 2.37 1.27 9 R H H 141.86 5.50 15.83 22.42 96.04 64.33 -74.96 -18.45 46.78 4.32 48.90 18.02 11.17 19.85 36.82 9.61 0.33 2.48 1.72 10 A C T 43.82 12.39 14.24 26.85 97.15 58.70 -82.60 0.63 68.04 1.68 30.28 11.18 12.22 43.56 21.63 9.40 0.11 0.88 1.02 11 G C T 46.45 5.10 19.64 25.35 98.49 -105.91 83.23 7.13 88.34 1.61 10.04 20.27 16.13 52.56 4.61 4.82 0.01 0.95 0.66 12 L C C 30.96 19.29 12.12 30.90 115.22 129.21 -92.02 129.36 83.77 10.21 6.02 65.13 11.26 6.75 3.05 3.12 0.00 6.33 4.37 13 Q C C 111.69 5.76 21.57 28.10 112.03 -163.03 -100.91 113.62 83.02 12.52 4.46 58.71 19.32 4.67 3.05 1.74 0.01 7.76 4.72 14 F C C 37.86 19.55 14.49 33.38 120.14 -161.15 -108.82 132.03 90.42 7.32 2.27 61.30 28.23 1.38 2.20 0.48 0.00 4.59 1.81 15 P C C 53.59 8.07 22.51 31.14 110.87 -111.80 -67.66 139.54 90.62 5.07 4.31 86.63 2.49 1.57 3.93 0.63 0.00 3.21 1.54 16 V H H 44.77 18.82 15.51 33.20 94.53 -123.96 -61.20 -36.91 23.29 0.44 76.27 8.00 3.89 12.39 72.23 2.98 0.06 0.21 0.23 17 G H H 34.09 5.76 21.17 27.44 93.13 55.79 -61.57 -39.91 15.52 0.24 84.25 3.77 2.24 9.89 81.22 2.59 0.05 0.12 0.11 18 R H H 98.46 8.12 21.96 30.22 92.47 51.40 -67.06 -39.24 5.43 0.17 94.40 2.42 0.89 2.47 92.02 2.03 0.01 0.11 0.04 19 V H H 4.55 24.38 16.32 40.84 91.73 52.06 -63.15 -43.71 2.01 0.10 97.90 0.89 0.30 0.94 97.00 0.79 0.01 0.06 0.01 20 H H H 61.74 13.48 20.64 33.90 91.54 51.20 -62.67 -41.87 1.44 0.06 98.50 0.54 0.19 0.74 97.83 0.64 0.01 0.05 0.01 21 R H H 122.59 2.58 23.87 25.35 91.57 50.51 -64.04 -42.17 1.62 0.07 98.31 0.44 0.21 0.98 97.64 0.66 0.01 0.04 0.01 22 L H H 22.78 13.44 17.93 32.66 91.96 49.68 -64.53 -41.96 2.14 0.09 97.77 0.59 0.29 1.31 96.91 0.80 0.02 0.06 0.02 23 L H H 18.23 20.83 14.02 34.45 92.13 50.21 -65.73 -39.40 4.25 0.12 95.63 0.94 0.48 2.89 94.03 1.51 0.04 0.08 0.03 24 R H H 149.31 4.32 18.05 23.53 91.82 51.84 -67.27 -32.99 12.61 0.13 87.27 1.12 1.04 10.48 85.80 1.38 0.06 0.06 0.06 25 K C T 138.84 2.08 17.61 19.36 95.01 48.20 -87.79 -8.16 54.29 0.23 45.48 1.97 4.08 46.64 45.30 1.70 0.06 0.08 0.16 26 G C T 37.32 9.62 14.35 24.58 104.74 -109.38 81.41 17.37 93.73 0.35 5.92 9.36 15.04 69.36 4.60 1.27 0.00 0.16 0.22 27 N C C 75.21 6.39 18.01 25.44 101.94 137.50 -95.29 56.58 84.99 1.11 13.90 61.50 12.63 10.22 11.66 2.81 0.00 0.47 0.70 28 Y H H 32.37 18.96 13.68 32.49 94.40 135.60 -69.84 -31.62 30.42 1.10 68.49 17.16 6.01 9.77 57.69 8.20 0.08 0.54 0.55 29 A H H 33.96 14.22 14.41 28.91 92.01 62.98 -63.14 -34.71 11.72 0.34 87.94 3.45 1.94 6.51 74.26 13.45 0.06 0.22 0.11 30 E H H 145.56 1.40 19.93 20.37 92.59 52.05 -69.43 -31.77 9.26 0.26 90.48 1.71 1.29 6.10 76.49 14.07 0.08 0.18 0.08 31 R H H 119.79 7.62 17.48 25.69 96.87 44.98 -78.89 -32.84 12.60 0.23 87.17 1.61 1.87 9.26 77.26 9.63 0.15 0.12 0.11 32 V H H 32.82 17.51 12.30 29.14 103.36 34.68 -101.54 -15.93 28.40 1.24 70.35 5.72 10.25 16.15 62.86 3.19 0.47 0.38 0.99 33 G C G 34.90 4.33 18.66 23.89 123.24 -129.92 82.15 -168.46 59.24 1.00 39.77 34.67 7.03 15.40 6.05 35.79 0.00 0.50 0.56 34 A C G 84.72 3.99 16.88 22.10 95.22 -36.40 -68.32 -13.21 51.04 0.24 48.72 1.57 4.39 44.37 4.46 44.86 0.01 0.13 0.20 35 G H G 30.18 10.25 18.20 29.06 94.11 55.11 -76.46 -7.69 46.91 0.18 52.91 3.97 3.90 37.76 8.11 46.00 0.01 0.09 0.15 36 A H H 11.26 19.51 16.30 36.23 92.83 102.50 -61.21 -41.85 6.60 0.03 93.38 4.40 1.30 1.29 92.08 0.91 0.00 0.01 0.01 37 P H H 37.02 16.77 20.83 36.76 91.89 53.17 -63.45 -39.58 1.37 0.01 98.63 0.36 0.13 0.72 98.23 0.56 0.00 0.00 0.00 38 V H H 67.83 7.85 25.57 33.60 91.79 50.30 -65.33 -41.53 0.30 0.00 99.70 0.06 0.02 0.16 99.46 0.31 0.00 0.00 0.00 39 Y H H 57.55 15.08 24.47 38.91 91.95 49.12 -65.02 -42.54 0.14 0.00 99.86 0.03 0.01 0.07 99.79 0.10 0.00 0.00 0.00 40 M H H 11.09 23.54 23.01 45.66 91.49 49.32 -63.96 -42.65 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 41 A H H 21.95 15.22 24.39 39.48 91.36 51.41 -62.98 -41.87 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 42 A H H 33.93 8.33 26.32 35.62 91.47 50.79 -63.97 -42.15 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 43 V H H 12.60 20.03 23.80 43.32 91.37 49.92 -64.20 -42.93 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 44 L H H 10.76 23.06 22.48 44.76 91.27 50.90 -63.36 -42.14 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 45 E H H 84.99 9.89 25.58 35.54 91.37 51.37 -63.44 -41.37 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 46 Y H H 81.71 10.14 25.47 35.76 91.93 49.24 -64.93 -41.73 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 47 L H H 10.58 21.54 22.07 43.11 91.30 49.29 -65.20 -42.37 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 48 T H H 22.03 18.75 22.25 40.09 91.78 51.30 -63.43 -41.82 0.38 0.00 99.62 0.04 0.02 0.25 99.65 0.05 0.00 0.00 0.00 49 A H H 42.10 6.71 24.61 31.85 91.50 51.70 -63.96 -41.74 0.31 0.00 99.69 0.03 0.01 0.20 99.68 0.08 0.00 0.00 0.00 50 E H H 65.13 10.31 24.42 34.89 91.67 49.69 -65.33 -41.31 0.42 0.00 99.58 0.05 0.02 0.28 99.54 0.11 0.00 0.00 0.00 51 I H H 6.86 23.51 19.83 43.12 91.36 50.05 -63.93 -43.24 0.48 0.00 99.51 0.07 0.03 0.31 99.45 0.15 0.00 0.00 0.00 52 L H H 47.33 14.84 21.92 36.22 91.63 50.57 -63.38 -41.70 0.89 0.01 99.10 0.15 0.06 0.57 98.89 0.32 0.00 0.00 0.00 53 E H H 111.84 3.34 25.53 28.67 91.67 50.14 -64.64 -40.80 3.24 0.03 96.73 0.42 0.22 2.41 96.22 0.71 0.01 0.01 0.01 54 L H H 37.13 13.98 21.02 35.12 92.26 48.73 -66.75 -39.26 7.68 0.06 92.25 0.96 0.67 5.81 91.49 0.99 0.02 0.03 0.02 55 A H H 13.90 19.51 17.50 36.54 92.81 51.40 -68.40 -34.59 20.00 0.31 79.69 3.99 2.76 13.41 77.54 1.94 0.07 0.14 0.15 56 G H H 30.75 9.47 20.37 29.91 97.93 57.31 -56.31 -41.66 39.45 0.90 59.65 10.02 6.00 24.53 53.47 4.99 0.11 0.46 0.43 57 N H H 94.78 4.66 21.11 25.79 96.97 40.86 -78.14 -16.46 41.41 2.10 56.48 13.66 8.23 21.08 46.09 8.66 0.17 1.39 0.73 58 A H H 34.30 11.05 15.88 27.94 96.95 68.79 -73.22 -27.39 39.97 5.65 54.38 18.16 8.03 15.70 42.64 9.87 0.18 4.16 1.24 59 A H H 34.58 12.60 12.90 26.10 101.26 64.39 -79.95 -10.58 45.18 8.50 46.33 25.19 8.12 13.95 36.30 8.26 0.15 6.14 1.91 60 R C H 144.10 4.42 14.43 20.07 102.81 75.47 -81.56 -3.85 53.17 8.50 38.33 25.19 11.24 18.36 30.56 6.42 0.36 5.61 2.26 61 D C T 104.48 3.06 13.44 17.46 102.46 47.02 -84.93 22.37 70.52 2.99 26.49 24.59 16.31 30.06 20.64 5.52 0.07 1.74 1.08 62 N C T 97.32 5.54 11.44 18.37 102.60 39.78 -83.44 44.78 80.61 1.09 18.30 28.65 18.71 33.61 12.09 5.83 0.01 0.49 0.61 63 K C C 139.72 3.99 12.71 18.11 98.48 128.38 -74.20 0.61 74.73 1.82 23.46 30.42 19.99 24.74 14.99 8.07 0.02 0.88 0.90 64 K C C 119.50 5.95 13.98 21.11 103.74 85.19 -87.49 10.97 66.61 5.40 27.99 35.72 15.99 15.22 18.82 9.06 0.06 3.34 1.78 65 T C C 64.19 10.45 14.29 25.32 108.98 98.21 -93.08 84.04 62.54 9.38 28.08 41.61 11.36 9.32 19.68 8.94 0.05 6.87 2.17 66 R C C 112.19 9.26 19.34 28.70 110.12 79.55 -92.38 127.51 58.68 14.80 26.52 36.29 14.26 8.55 19.30 7.51 0.08 11.12 2.89 67 I C C 30.30 19.66 15.28 34.34 110.28 -133.08 -91.47 111.09 57.44 18.88 23.69 39.85 12.81 5.13 19.32 4.86 0.08 11.31 6.66 68 I C C 53.94 10.90 21.09 32.38 117.07 -150.49 -92.30 143.04 72.52 2.30 25.18 61.63 7.34 1.84 26.44 0.94 0.00 1.30 0.52 69 P H H 51.48 13.95 17.02 30.85 93.60 -110.35 -59.43 -38.44 10.71 0.33 88.95 5.44 1.51 4.18 86.56 2.01 0.01 0.21 0.08 70 R H H 136.03 3.85 22.39 26.47 91.90 53.02 -64.19 -38.86 5.23 0.12 94.65 1.74 0.66 2.93 92.35 2.19 0.01 0.08 0.03 71 H H H 46.62 14.79 20.03 34.59 92.29 49.72 -66.23 -40.49 2.56 0.08 97.36 1.03 0.33 1.28 95.04 2.24 0.00 0.06 0.01 72 L H H 8.79 23.11 17.87 40.89 91.86 51.08 -64.08 -42.25 1.59 0.06 98.36 0.65 0.20 0.76 97.36 0.98 0.00 0.04 0.01 73 Q H H 75.23 9.66 23.20 32.89 91.38 51.83 -63.22 -41.51 1.66 0.07 98.27 0.51 0.18 0.95 97.52 0.77 0.00 0.06 0.01 74 L H H 52.49 6.47 23.41 30.66 91.55 50.61 -63.87 -42.22 1.86 0.09 98.05 0.48 0.22 1.14 97.13 0.93 0.01 0.07 0.01 75 A H H 7.85 17.86 17.56 36.33 91.77 50.69 -64.13 -41.56 2.65 0.11 97.24 0.76 0.31 1.57 96.08 1.17 0.01 0.08 0.02 76 I H H 32.06 17.53 17.58 34.71 92.74 48.17 -67.25 -38.43 5.41 0.12 94.47 0.90 0.56 3.91 92.69 1.80 0.03 0.07 0.04 77 R H H 143.12 4.08 20.44 24.94 92.81 50.69 -70.00 -29.89 16.38 0.10 83.52 1.07 1.35 13.86 82.21 1.35 0.06 0.04 0.06 78 N C T 87.61 5.67 17.28 23.58 102.10 31.32 -104.38 13.84 66.88 0.32 32.80 14.58 7.50 43.13 32.75 1.72 0.01 0.11 0.19 79 D H H 53.01 15.84 11.24 26.09 100.55 151.43 -68.00 29.40 47.22 0.42 52.36 39.26 4.46 3.54 50.17 2.21 0.00 0.14 0.21 80 E H H 131.49 2.08 18.62 20.60 93.65 69.85 -65.46 -38.74 7.06 0.07 92.87 1.78 1.00 4.23 88.91 4.00 0.02 0.04 0.03 81 E H H 87.51 5.83 18.61 25.24 92.27 50.84 -66.00 -40.22 3.97 0.09 95.95 1.17 0.45 2.38 92.18 3.72 0.01 0.06 0.02 82 L H H 8.54 22.00 12.40 34.45 91.78 50.66 -64.15 -41.99 2.29 0.07 97.64 0.76 0.30 1.24 94.69 2.95 0.01 0.05 0.01 83 N H H 64.12 11.28 16.91 28.67 91.20 53.34 -63.67 -38.18 2.76 0.06 97.18 0.73 0.29 1.69 94.57 2.66 0.01 0.05 0.01 84 K H H 143.15 1.50 21.44 21.64 92.14 51.75 -66.15 -38.64 4.46 0.06 95.47 0.46 0.35 3.68 92.17 3.26 0.02 0.04 0.01 85 L H H 49.14 13.50 17.40 30.97 94.50 45.65 -72.75 -38.73 7.06 0.10 92.84 0.47 0.60 6.19 90.55 2.04 0.06 0.05 0.04 86 L H H 22.68 20.06 14.26 33.68 98.12 37.35 -91.53 -15.05 24.42 1.18 74.41 4.22 4.46 17.35 70.34 2.26 0.28 0.52 0.58 87 G C T 37.72 4.99 19.38 25.28 110.46 -143.87 71.33 -132.42 74.83 5.51 19.66 23.27 16.02 35.59 14.13 5.70 0.08 3.89 1.32 88 K C T 138.21 3.51 19.74 23.89 116.36 -4.09 -101.38 132.63 64.14 16.87 18.99 24.63 14.46 26.39 11.15 7.20 0.17 14.18 1.81 89 V C C 36.26 19.83 11.52 30.29 121.38 -166.52 -114.14 133.44 58.69 27.15 14.16 48.39 6.08 3.16 10.78 3.99 0.03 25.27 2.30 90 T E E 73.55 5.83 21.49 27.88 118.32 -162.94 -108.08 131.42 39.37 47.36 13.27 32.47 3.33 2.28 10.99 3.16 0.03 43.90 3.83 91 I E E 56.37 16.49 13.77 29.66 115.40 -154.15 -100.12 124.09 32.32 48.57 19.11 24.08 4.57 3.72 14.91 5.50 0.09 43.56 3.58 92 A C E 49.76 9.22 14.86 24.89 111.62 -148.00 -91.81 146.00 40.18 33.24 26.58 25.90 7.26 8.93 12.26 13.27 0.12 29.94 2.33 93 Q C T 134.89 3.25 16.37 20.24 103.16 -15.68 -76.61 68.51 50.10 21.12 28.78 14.25 11.14 27.64 8.46 18.07 0.41 17.13 2.90 94 G C T 47.76 5.78 15.91 22.26 103.86 -4.39 80.97 0.84 72.56 4.51 22.93 12.13 14.27 46.90 4.49 17.56 0.04 3.24 1.36 95 G C T 30.84 11.23 15.71 26.94 116.32 -33.23 91.43 4.93 79.73 14.29 5.98 23.77 25.41 31.72 1.11 4.53 0.02 11.45 2.00 96 V C C 56.19 12.80 16.34 29.49 121.08 -62.31 -107.41 135.67 54.61 42.76 2.63 35.83 15.16 3.65 1.46 1.59 0.07 26.05 16.17 97 L C C 40.35 15.75 14.00 30.11 111.71 -131.45 -92.46 120.48 75.51 22.39 2.10 63.33 9.45 2.20 0.89 1.33 0.00 19.51 3.30 98 P C T 77.29 7.18 17.06 25.12 104.19 -141.20 -66.01 57.99 78.03 14.51 7.46 24.24 13.02 41.54 2.52 4.39 0.02 12.86 1.40 99 N C T 114.87 3.29 18.43 22.18 98.32 29.62 -72.19 35.09 77.32 13.55 9.13 22.95 13.72 41.70 3.09 5.32 0.03 11.71 1.47 100 I C C 37.90 19.42 9.90 28.20 113.60 145.35 -90.56 127.25 63.70 24.47 11.83 52.95 7.06 3.80 6.22 5.87 0.02 19.65 4.43 101 Q C C 118.25 4.05 19.00 23.95 115.48 -169.21 -100.03 124.44 53.72 28.03 18.25 43.95 5.80 4.24 9.37 8.69 0.04 24.53 3.38 102 A C C 48.16 13.18 13.39 26.45 115.72 -135.00 -91.09 133.93 41.60 26.66 31.74 28.22 8.80 7.20 8.65 20.35 0.06 25.03 1.68 103 V C C 77.34 8.83 14.87 24.54 113.49 -145.65 -96.64 119.93 40.78 28.28 30.93 27.04 8.66 8.08 7.27 20.70 0.07 26.39 1.80 104 L C C 81.80 10.52 12.86 23.88 107.61 -149.07 -92.99 52.91 45.50 29.63 24.87 29.86 9.72 8.89 6.52 16.82 0.12 23.36 4.70 105 L C C 80.75 9.20 11.16 21.49 118.89 34.37 -104.57 130.45 85.55 14.24 0.21 79.13 5.58 0.57 0.09 0.12 0.00 12.97 1.53 106 P C C 91.96 4.44 15.24 20.94 111.67 -105.89 -66.76 144.37 99.79 0.19 0.01 99.67 0.14 0.05 0.00 0.00 0.00 0.13 0.01