# 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 55.24 7.00 13.58 21.69 108.59 129.09 -80.45 137.80 99.66 0.06 0.28 99.52 0.11 0.11 0.22 0.01 0.00 0.02 0.01 1 A H H 65.73 3.25 13.45 17.58 96.96 58.45 -69.29 -38.81 33.08 0.24 66.67 27.78 1.01 4.12 65.87 1.03 0.00 0.09 0.09 2 Y H H 118.34 6.38 11.57 19.25 94.97 54.83 -66.88 -38.99 11.49 0.11 88.41 5.78 1.76 4.05 87.05 1.27 0.00 0.05 0.04 3 F H H 115.74 4.88 13.28 19.53 93.23 52.57 -66.26 -38.97 5.49 0.06 94.46 2.81 0.80 2.05 92.87 1.42 0.00 0.03 0.02 4 A H H 63.86 2.28 15.62 18.03 92.48 51.22 -65.29 -40.32 3.45 0.03 96.51 1.74 0.46 1.28 95.42 1.07 0.00 0.02 0.01 5 R H H 115.73 5.25 16.27 22.49 92.42 50.08 -66.04 -40.21 2.87 0.02 97.10 1.21 0.37 1.24 96.49 0.67 0.00 0.01 0.01 6 R H H 79.13 12.11 15.69 28.19 92.12 51.39 -64.52 -40.83 2.52 0.02 97.47 0.97 0.32 1.13 97.14 0.43 0.00 0.01 0.01 7 A H H 51.45 4.82 19.12 24.71 91.85 51.18 -63.98 -41.04 2.22 0.01 97.77 0.78 0.24 1.02 97.56 0.38 0.00 0.00 0.00 8 A H H 51.66 3.46 21.25 24.54 91.69 50.26 -64.27 -41.04 2.48 0.01 97.51 0.71 0.23 1.29 97.37 0.39 0.00 0.00 0.00 9 Q H H 34.78 15.42 18.31 33.95 91.94 50.29 -65.50 -41.01 1.67 0.00 98.33 0.46 0.15 0.83 98.34 0.22 0.00 0.00 0.00 10 K H H 64.70 15.78 19.66 34.60 91.40 52.40 -62.47 -41.68 0.64 0.00 99.36 0.15 0.05 0.31 99.40 0.09 0.00 0.00 0.00 11 E H H 101.51 3.72 24.63 28.02 91.45 50.75 -64.03 -41.36 0.29 0.00 99.71 0.05 0.02 0.15 99.73 0.05 0.00 0.00 0.00 12 R H H 90.11 9.59 23.67 33.33 91.64 49.33 -64.73 -41.83 0.24 0.00 99.76 0.03 0.01 0.13 99.78 0.04 0.00 0.00 0.00 13 V H H 3.93 24.81 19.07 44.12 91.21 49.76 -63.75 -43.24 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 14 R H H 76.89 14.70 23.77 37.38 91.10 51.39 -62.32 -42.29 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 15 I H H 75.51 4.77 26.66 31.61 91.29 49.94 -63.56 -42.49 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 16 L H H 13.12 18.28 22.65 40.96 91.31 49.78 -63.60 -43.31 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 17 Y H H 9.31 24.34 21.97 45.72 91.05 50.17 -62.89 -42.86 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 18 R H H 88.41 11.21 25.77 36.88 91.37 50.78 -63.29 -42.08 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 19 R H H 94.90 7.39 27.20 35.37 91.52 49.46 -64.55 -41.37 0.24 0.00 99.76 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 20 A H H 3.41 23.28 21.41 44.65 91.25 50.21 -63.92 -42.86 0.57 0.00 99.43 0.04 0.02 0.42 99.37 0.16 0.00 0.00 0.00 21 L H H 14.03 21.45 22.63 43.29 91.19 50.29 -63.40 -41.67 1.34 0.00 98.66 0.12 0.07 0.99 97.75 1.07 0.00 0.00 0.00 22 K H H 100.23 5.85 26.80 33.01 91.83 50.80 -64.20 -41.12 3.65 0.00 96.34 0.21 0.18 3.09 94.20 2.31 0.00 0.00 0.00 23 D H H 33.06 12.91 23.32 36.51 91.91 49.31 -66.89 -38.47 8.85 0.02 91.13 0.67 0.59 7.22 87.33 4.15 0.01 0.01 0.01 24 T H H 5.09 24.21 17.51 41.74 92.27 55.21 -65.89 -35.51 11.46 0.09 88.45 2.08 1.31 7.49 75.86 13.14 0.03 0.05 0.05 25 L H H 61.51 13.68 20.24 33.62 91.43 60.25 -66.58 -27.42 21.70 0.12 78.19 2.01 1.66 16.08 56.17 23.89 0.05 0.07 0.07 26 N H H 99.04 4.29 22.45 27.12 94.01 58.81 -79.35 -10.93 39.12 0.18 60.69 3.49 3.14 30.27 40.13 22.68 0.06 0.09 0.15 27 W C C 54.62 17.39 14.36 31.38 102.87 78.72 -88.82 54.13 56.71 1.43 41.87 23.44 11.42 23.36 23.30 16.78 0.06 0.58 1.07 28 A C C 43.65 12.27 15.75 28.22 101.96 112.89 -76.78 -28.24 66.96 3.78 29.26 37.34 12.89 16.89 14.87 13.82 0.04 1.53 2.62 29 V C T 83.84 6.88 17.24 24.66 97.92 49.18 -76.75 -30.88 74.15 1.03 24.81 11.58 22.36 40.86 10.26 13.62 0.04 0.48 0.81 30 H C T 79.04 10.12 15.70 26.45 105.80 36.11 -108.41 63.45 80.07 0.73 19.20 33.53 12.01 35.58 8.12 9.92 0.00 0.31 0.52 31 R H H 94.51 14.10 13.24 27.17 94.27 154.77 -63.56 -35.12 21.77 0.31 77.92 9.85 4.62 8.62 65.72 10.86 0.02 0.14 0.16 32 H H H 124.89 2.92 19.34 22.50 92.30 57.67 -65.79 -35.09 11.27 0.07 88.66 1.55 1.17 7.79 74.79 14.60 0.02 0.04 0.03 33 I H H 57.38 8.73 18.27 28.16 92.89 49.80 -68.57 -38.37 9.36 0.08 90.56 1.28 0.88 6.52 77.15 14.08 0.02 0.05 0.02 34 F H H 16.77 20.95 14.33 34.96 93.18 50.74 -69.68 -36.93 9.48 0.08 90.44 2.47 1.05 5.59 83.03 7.77 0.01 0.05 0.03 35 Y H H 97.49 11.01 19.45 30.50 92.21 56.27 -62.79 -42.11 1.98 0.01 98.01 0.63 0.20 0.97 97.67 0.52 0.00 0.00 0.00 36 R H H 142.56 1.91 24.39 24.78 91.76 49.24 -64.80 -41.55 0.97 0.00 99.03 0.17 0.07 0.61 98.78 0.38 0.00 0.00 0.00 37 D H H 34.04 13.87 20.89 34.83 92.08 48.51 -65.78 -41.04 0.84 0.00 99.16 0.16 0.06 0.51 98.89 0.38 0.00 0.00 0.00 38 A H H 4.68 22.52 16.72 39.53 91.37 51.63 -63.08 -42.31 0.53 0.00 99.47 0.10 0.03 0.29 99.40 0.17 0.00 0.00 0.00 39 S H H 50.31 4.90 23.98 28.96 91.21 51.38 -63.69 -41.44 0.61 0.00 99.39 0.08 0.03 0.38 99.37 0.13 0.00 0.00 0.00 40 D H H 69.84 4.24 24.51 28.55 91.56 50.05 -64.46 -41.44 0.52 0.00 99.48 0.05 0.02 0.35 99.50 0.09 0.00 0.00 0.00 41 L H H 6.07 22.59 17.85 40.68 91.66 50.13 -64.06 -42.97 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 42 R H H 74.34 15.39 20.55 35.05 91.32 51.87 -62.23 -41.84 0.15 0.00 99.85 0.02 0.00 0.09 99.85 0.04 0.00 0.00 0.00 43 E H H 110.21 1.82 24.67 24.35 91.62 50.28 -63.97 -41.68 0.21 0.00 99.79 0.02 0.01 0.13 99.77 0.07 0.00 0.00 0.00 44 K H H 69.34 10.27 20.87 31.49 92.00 49.20 -65.26 -41.26 0.40 0.00 99.60 0.03 0.02 0.29 99.50 0.17 0.00 0.00 0.00 45 F H H 7.82 23.88 13.89 37.83 91.66 49.96 -64.52 -41.87 1.02 0.00 98.98 0.07 0.05 0.78 98.61 0.49 0.00 0.00 0.00 46 N H H 89.22 5.43 20.59 26.79 91.34 52.56 -63.46 -37.78 4.85 0.01 95.14 0.35 0.28 4.05 93.23 2.09 0.00 0.00 0.00 47 V H H 95.74 2.50 20.87 22.69 91.39 54.01 -68.89 -27.23 20.78 0.02 79.20 0.61 0.97 19.40 75.77 3.20 0.02 0.01 0.02 48 N C T 27.15 16.75 12.51 29.74 98.14 48.71 -101.98 10.01 59.83 0.14 40.03 9.09 3.34 47.05 34.42 5.92 0.01 0.05 0.14 49 Q C T 89.80 12.06 14.45 26.97 92.89 113.09 -62.65 -26.82 95.97 0.19 3.84 4.02 3.76 88.64 1.98 1.38 0.00 0.08 0.14 50 D C T 116.42 1.35 19.71 19.92 95.16 49.84 -91.40 5.27 98.67 0.06 1.27 4.24 4.76 89.79 0.35 0.79 0.00 0.03 0.03 51 V C C 30.26 16.69 8.46 25.08 111.19 121.87 -79.34 121.78 99.27 0.30 0.44 96.90 1.83 0.62 0.18 0.14 0.00 0.08 0.25 52 E C C 150.00 1.70 17.23 19.40 100.64 174.80 -105.99 -10.79 99.71 0.14 0.14 91.49 7.69 0.52 0.07 0.05 0.00 0.04 0.15 53 D C C 77.37 3.94 16.26 21.49 111.10 95.27 -85.13 119.54 99.40 0.32 0.28 57.21 41.91 0.18 0.25 0.03 0.00 0.05 0.36 54 V H H 70.50 11.57 11.72 24.27 92.60 -153.73 -60.62 -36.29 1.85 0.00 98.15 0.17 0.19 1.33 97.72 0.59 0.00 0.00 0.00 55 D H H 105.14 1.49 18.49 19.11 91.62 54.51 -64.14 -39.91 1.06 0.00 98.94 0.08 0.06 0.81 98.46 0.59 0.00 0.00 0.00 56 R H H 102.11 5.49 18.40 24.67 92.05 48.05 -66.38 -40.13 0.20 0.00 99.80 0.03 0.01 0.12 99.52 0.32 0.00 0.00 0.00 57 I H H 11.93 20.81 13.31 34.29 91.23 51.76 -62.61 -43.36 0.05 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 58 D H H 68.46 7.82 21.14 29.40 91.32 51.32 -62.95 -41.05 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 59 K H H 115.21 2.08 24.66 25.03 91.61 50.27 -64.31 -41.70 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 60 L H H 18.02 16.30 19.57 36.48 91.64 49.69 -63.93 -43.10 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 61 I H H 14.90 21.39 18.86 39.85 91.53 49.44 -63.12 -42.67 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 62 A H H 56.77 3.94 24.61 28.16 91.59 50.58 -63.23 -42.21 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 63 H H H 100.84 3.67 25.17 28.36 91.59 48.64 -64.69 -41.30 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 64 G H H 2.76 21.16 16.56 38.43 91.29 50.53 -63.67 -42.96 0.20 0.00 99.80 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 65 E H H 60.19 13.36 20.96 34.11 91.59 51.24 -62.84 -41.65 0.17 0.00 99.83 0.01 0.01 0.11 99.83 0.04 0.00 0.00 0.00 66 A H H 56.65 2.13 23.83 24.16 91.42 50.64 -63.35 -42.38 0.21 0.00 99.79 0.01 0.01 0.15 99.76 0.07 0.00 0.00 0.00 67 E H H 63.01 9.27 20.11 30.19 91.97 48.96 -65.52 -41.11 0.46 0.00 99.54 0.02 0.02 0.36 99.36 0.23 0.00 0.00 0.00 68 Y H H 16.90 22.17 13.45 35.39 91.60 51.11 -63.87 -41.43 0.80 0.00 99.20 0.04 0.03 0.64 98.09 1.19 0.00 0.00 0.00 69 N H H 97.05 5.07 18.85 25.04 91.44 52.28 -64.63 -33.87 4.48 0.00 95.52 0.14 0.14 4.19 92.88 2.65 0.00 0.00 0.00 70 K H H 140.13 1.93 20.08 21.25 92.35 52.06 -70.89 -29.19 18.39 0.01 81.60 0.41 0.65 17.98 78.29 2.65 0.01 0.00 0.01 71 W H H 67.28 15.71 14.23 29.77 98.96 46.47 -94.69 3.12 46.62 0.54 52.84 7.58 6.86 32.73 49.02 3.14 0.09 0.19 0.39 72 R C C 113.48 11.27 17.52 29.04 109.25 136.88 -74.98 116.83 88.72 5.92 5.36 60.31 18.71 8.48 4.00 1.47 0.01 1.94 5.10 73 H C C 58.13 15.72 13.84 29.46 119.26 -132.92 -104.36 132.56 95.77 3.81 0.42 77.25 16.74 1.62 0.17 0.24 0.00 1.71 2.27 74 P C S 69.53 8.41 17.88 27.21 97.90 -122.03 -69.24 -11.71 98.77 0.94 0.29 28.38 63.52 6.96 0.05 0.25 0.00 0.52 0.33 75 D C C 61.84 10.87 16.35 27.80 112.55 46.41 -100.27 120.07 96.51 2.98 0.51 46.82 44.90 4.71 0.11 0.44 0.00 1.07 1.95 76 P C T 53.60 13.44 15.26 29.31 96.96 -152.00 -70.62 -9.22 96.58 1.72 1.70 32.26 26.34 37.77 0.18 1.88 0.00 0.83 0.75 77 Y C T 99.89 12.07 16.67 28.88 110.09 68.79 -93.04 105.91 89.57 7.93 2.50 30.91 25.61 33.70 0.40 2.26 0.00 4.00 3.11 78 I C C 72.25 9.97 17.22 28.11 118.87 91.94 -105.95 131.64 87.28 11.90 0.82 53.87 31.49 1.86 0.31 0.51 0.00 3.81 8.15 79 V C C 56.17 11.81 16.18 28.77 112.68 -131.60 -85.57 126.29 96.70 2.90 0.41 85.57 9.17 1.75 0.11 0.33 0.00 1.42 1.65 80 P C T 57.77 12.70 14.59 27.72 96.48 -147.27 -67.84 -20.31 97.87 0.53 1.60 13.29 15.34 68.96 0.21 1.64 0.00 0.31 0.25 81 W C T 156.23 6.07 16.71 23.66 99.65 52.48 -95.96 2.78 95.56 2.15 2.29 12.16 16.15 66.93 0.38 2.19 0.00 1.25 0.93 82 A C S 39.74 9.92 12.87 24.24 120.88 99.49 -90.12 145.64 94.12 4.23 1.65 30.01 58.86 4.82 0.29 1.32 0.00 1.54 3.17 83 P C T 91.22 5.50 14.71 21.63 110.22 -90.08 -61.06 137.51 96.15 0.80 3.05 4.53 8.70 82.60 0.34 2.90 0.00 0.45 0.48 84 G C T 57.05 2.48 16.01 18.86 97.29 17.35 85.81 -2.60 96.05 0.60 3.35 6.21 9.52 80.02 0.43 3.14 0.00 0.37 0.31 85 G C C 22.40 12.04 10.73 23.39 124.24 124.42 -84.25 169.60 90.40 5.36 4.24 52.80 29.76 7.08 1.14 2.95 0.00 1.76 4.51 86 S C C 43.74 7.65 16.76 25.61 124.99 -104.82 -110.01 160.57 83.22 8.78 8.01 58.80 15.35 7.71 3.08 4.88 0.01 3.02 7.14 87 K C T 106.82 10.69 14.70 25.80 93.12 -120.37 -64.93 -24.62 63.97 2.93 33.10 13.85 18.80 32.23 9.41 22.26 0.13 1.43 1.88 88 F C T 115.01 7.63 15.89 24.49 93.07 62.54 -74.59 -18.34 62.27 3.52 34.21 13.28 15.01 34.74 10.57 22.36 0.20 1.82 2.02 89 C C C 66.69 8.32 15.75 24.85 98.98 59.66 -86.46 -14.79 62.53 6.42 31.05 27.17 16.25 20.89 10.51 18.67 0.18 3.10 3.23 90 R C C 99.66 11.57 14.70 26.44 101.86 64.72 -87.60 -5.62 74.19 9.13 16.67 39.83 20.86 14.02 7.09 8.61 0.11 3.77 5.72 91 N C C 69.67 10.69 14.24 25.70 112.67 61.26 -111.60 107.11 94.30 5.12 0.58 62.59 30.40 1.37 0.24 0.32 0.00 1.99 3.09 92 P C C 60.27 9.56 14.33 25.17 116.73 -140.19 -70.99 150.56 98.28 1.60 0.12 88.76 9.01 0.50 0.04 0.07 0.00 0.71 0.91 93 T C C 100.01 3.26 17.50 21.88 114.33 -103.64 -76.45 139.04 99.45 0.52 0.02 95.43 3.97 0.11 0.01 0.01 0.00 0.18 0.30 94 P C C 55.43 15.28 9.76 24.51 116.82 -107.71 -68.11 149.19 99.76 0.22 0.02 98.21 1.51 0.07 0.01 0.01 0.00 0.07 0.13 95 P C C 59.88 7.39 11.83 21.15 115.54 -103.19 -65.03 153.30 99.29 0.34 0.37 97.21 1.28 0.85 0.07 0.22 0.00 0.11 0.25 96 A C T 100.35 0.78 13.09 13.52 109.59 -85.36 -63.61 136.63 97.16 0.32 2.52 3.00 9.43 84.75 0.39 2.04 0.00 0.18 0.21 97 G C T 61.34 1.29 13.62 14.61 96.16 21.55 84.74 -1.46 97.23 0.66 2.12 4.72 7.82 84.67 0.29 1.88 0.00 0.49 0.15 98 I C C 54.26 14.65 7.42 21.53 118.19 116.47 -96.63 134.54 78.99 19.40 1.61 69.65 7.68 1.19 0.63 1.10 0.00 14.09 5.65 99 E C C 127.91 2.69 17.64 21.05 118.99 -157.15 -108.82 134.91 66.85 31.41 1.74 63.19 2.54 0.81 0.82 0.80 0.00 29.24 2.60 100 I C C 72.76 14.30 11.53 25.71 114.87 -133.39 -88.53 128.06 56.92 39.05 4.03 51.82 3.24 1.34 1.99 1.82 0.01 36.76 3.03 101 V C C 70.81 7.91 15.19 24.40 111.34 -164.45 -98.58 107.29 62.07 29.95 7.98 49.37 8.16 4.48 3.40 4.29 0.02 26.95 3.31 102 Y C C 113.00 8.27 14.10 23.37 121.03 -5.61 -120.35 135.98 73.38 17.46 9.16 47.63 16.08 10.60 2.81 6.05 0.02 14.30 2.51 103 N C C 87.17 7.30 13.99 22.45 107.67 -141.89 -93.81 86.50 84.13 6.48 9.39 55.48 14.94 14.03 2.35 6.91 0.00 4.61 1.67 104 Y C T 102.82 10.47 12.03 23.23 101.63 159.14 -87.13 9.45 82.65 4.51 12.83 27.44 17.56 38.79 3.10 8.81 0.02 2.51 1.77 105 G C T 41.65 6.59 13.83 21.53 101.14 -76.20 80.97 1.88 81.74 5.48 12.79 25.88 18.90 38.16 2.78 9.17 0.02 3.25 1.84 106 L C C 94.26 6.19 10.37 18.20 106.31 112.95 -86.35 72.48 76.43 9.79 13.78 46.13 16.54 14.27 3.69 9.97 0.02 6.07 3.32 107 E C C 126.54 4.06 9.28 15.16 110.33 76.92 -89.06 111.38 88.37 6.16 5.47 79.01 2.27 7.74 2.09 2.53 0.00 4.16 2.19 108 D C C 113.37 2.50 12.00 15.99 108.07 -132.79 -88.73 87.51 99.90 0.08 0.02 99.80 0.09 0.05 0.01 0.00 0.00 0.04 0.01