# 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 S C C 63.97 5.97 13.12 20.39 120.92 -162.53 -98.91 149.84 99.83 0.14 0.03 99.73 0.12 0.05 0.01 0.00 0.00 0.07 0.02 1 N C C 116.21 3.03 11.57 16.05 105.47 -123.52 -83.57 58.04 83.41 3.91 12.68 76.24 1.59 6.65 7.77 3.66 0.00 2.33 1.77 2 M C C 114.38 5.24 9.48 16.29 106.19 71.01 -84.18 40.84 72.49 3.63 23.88 46.83 11.58 14.48 12.82 10.57 0.01 2.07 1.64 3 A C C 66.56 5.24 10.46 17.30 107.31 64.19 -80.79 77.62 67.62 4.36 28.02 41.70 12.65 13.58 14.41 13.31 0.02 2.42 1.91 4 A C C 73.55 4.37 11.21 17.11 102.87 59.73 -82.38 -2.96 67.44 3.95 28.60 37.20 17.52 13.29 16.06 12.02 0.05 1.99 1.88 5 N C C 101.57 4.33 11.16 17.07 106.65 64.19 -90.07 86.21 78.83 2.39 18.78 49.16 18.88 10.84 12.17 6.47 0.01 1.09 1.38 6 S C C 69.50 5.20 10.39 17.27 106.13 -125.67 -78.92 68.56 79.78 1.74 18.48 53.95 12.67 12.89 12.58 6.04 0.00 0.82 1.04 7 S C C 81.05 2.90 11.95 16.09 103.58 67.64 -82.17 14.22 76.61 1.54 21.86 37.68 17.43 22.14 14.60 6.54 0.01 0.65 0.94 8 G C C 43.51 4.90 11.76 18.02 105.04 43.13 -51.09 -17.81 69.99 1.30 28.71 35.31 19.09 16.71 21.20 6.32 0.02 0.49 0.86 9 Q H H 112.28 3.85 12.80 17.91 98.83 60.03 -75.03 -27.52 44.43 0.72 54.84 21.67 10.31 14.43 47.83 5.03 0.03 0.30 0.40 10 G H H 36.74 4.51 13.39 19.22 98.16 52.92 -61.15 -42.69 34.31 0.49 65.20 16.75 6.85 12.40 59.22 4.30 0.03 0.21 0.25 11 F H H 115.94 3.79 14.35 19.06 94.47 49.94 -67.51 -37.91 15.39 0.32 84.29 8.55 3.03 5.27 78.43 4.40 0.01 0.17 0.12 12 Q H H 93.24 4.63 15.22 20.74 93.68 52.97 -66.87 -39.94 12.80 0.30 86.90 7.14 2.15 4.58 82.54 3.31 0.01 0.17 0.11 13 N H H 76.11 5.56 15.15 21.85 94.44 51.30 -68.15 -39.22 13.08 0.23 86.70 7.46 2.08 4.50 83.25 2.49 0.01 0.11 0.10 14 K H H 120.63 3.13 16.90 20.39 92.86 52.77 -65.25 -40.51 3.95 0.03 96.02 1.99 0.63 1.41 95.41 0.54 0.00 0.01 0.01 15 N H H 84.95 3.82 17.62 21.83 92.62 50.04 -65.76 -40.80 2.12 0.02 97.86 0.97 0.26 0.84 97.62 0.30 0.00 0.01 0.00 16 R H H 99.14 8.19 16.98 25.80 92.24 50.78 -65.16 -41.21 1.12 0.01 98.87 0.43 0.12 0.50 98.76 0.18 0.00 0.00 0.00 17 V H H 67.92 5.47 17.93 24.31 91.95 50.66 -64.25 -41.48 0.44 0.00 99.56 0.14 0.04 0.20 99.56 0.07 0.00 0.00 0.00 18 A H H 52.67 3.26 19.45 22.64 91.95 50.82 -63.78 -41.96 0.25 0.00 99.75 0.06 0.02 0.12 99.76 0.04 0.00 0.00 0.00 19 I H H 62.04 7.35 18.02 26.30 92.04 49.40 -64.07 -42.75 0.21 0.00 99.79 0.03 0.01 0.11 99.81 0.03 0.00 0.00 0.00 20 L H H 61.40 8.54 17.54 26.99 92.02 50.10 -64.31 -41.16 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 21 A H H 50.96 3.24 19.25 22.54 91.43 51.31 -63.23 -41.72 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 22 E H H 94.80 3.48 19.27 22.82 91.90 49.88 -65.10 -41.08 0.33 0.00 99.67 0.04 0.02 0.21 99.71 0.04 0.00 0.00 0.00 23 L H H 45.82 10.19 15.76 27.20 92.09 50.22 -64.65 -41.19 0.28 0.00 99.72 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 24 D H H 74.01 4.43 18.51 23.48 91.77 50.87 -64.03 -40.72 0.31 0.00 99.69 0.04 0.02 0.19 99.72 0.04 0.00 0.00 0.00 25 K H H 113.46 2.00 19.34 20.29 91.92 49.95 -65.00 -41.01 0.35 0.00 99.65 0.04 0.02 0.22 99.67 0.05 0.00 0.00 0.00 26 E H H 71.90 7.08 16.44 24.75 92.11 50.46 -65.02 -40.74 0.36 0.00 99.64 0.04 0.02 0.22 99.65 0.06 0.00 0.00 0.00 27 K H H 85.91 8.68 15.62 25.08 92.17 51.60 -64.20 -40.66 0.59 0.00 99.41 0.07 0.04 0.39 99.37 0.13 0.00 0.00 0.00 28 R H H 136.35 2.14 17.87 19.53 92.20 50.94 -64.84 -40.09 1.11 0.00 98.88 0.13 0.06 0.79 98.69 0.33 0.00 0.00 0.00 29 K H H 111.00 2.77 17.02 19.91 92.39 50.52 -66.35 -39.49 2.24 0.01 97.75 0.27 0.16 1.64 96.98 0.95 0.00 0.00 0.00 30 L H H 55.87 9.09 12.80 23.27 93.51 51.83 -66.59 -38.80 4.81 0.03 95.17 0.64 0.41 3.50 93.51 1.91 0.01 0.01 0.01 31 L H H 92.53 5.08 14.11 20.31 94.04 53.16 -68.71 -32.78 12.08 0.07 87.85 1.82 1.15 8.82 85.51 2.60 0.02 0.03 0.04 32 M H H 127.43 2.12 13.60 16.15 96.10 55.59 -72.97 -25.81 26.81 0.28 72.91 5.57 3.68 18.10 69.01 3.30 0.06 0.12 0.16 33 Q H H 111.73 4.13 11.62 17.17 100.13 62.29 -80.39 -11.51 46.31 0.75 52.94 12.99 9.09 25.89 47.53 3.67 0.08 0.30 0.44 34 N C C 104.26 4.51 11.32 17.25 104.38 52.22 -82.42 55.02 65.17 1.22 33.61 28.42 11.68 26.17 27.76 4.75 0.02 0.49 0.71 35 Q C C 114.35 4.66 10.43 16.78 106.83 141.20 -86.85 53.72 69.12 2.01 28.88 40.50 13.14 15.69 20.39 8.15 0.02 0.89 1.21 36 S C C 76.36 3.68 10.76 15.99 108.72 101.20 -88.71 98.85 71.52 2.36 26.12 42.78 12.65 16.08 14.60 11.38 0.01 1.18 1.31 37 S C C 80.29 3.57 10.20 15.45 105.58 78.25 -86.64 45.64 72.98 3.05 23.97 38.51 15.60 19.32 10.99 12.43 0.03 1.51 1.61 38 T C C 97.15 3.40 10.07 15.10 106.01 96.15 -90.51 44.27 79.01 4.28 16.71 41.13 18.92 19.69 7.05 8.97 0.03 2.15 2.07 39 N C C 112.68 3.30 10.59 15.67 111.42 104.25 -92.60 117.97 87.85 5.24 6.90 52.46 25.30 10.10 2.91 3.81 0.00 2.37 3.03 40 H C C 118.61 4.98 9.40 16.33 115.37 -149.25 -97.82 126.48 96.00 3.02 0.99 72.03 21.95 2.00 0.45 0.53 0.00 1.45 1.59 41 P C C 100.93 3.38 10.52 15.58 109.42 -116.99 -68.45 143.42 89.61 1.74 8.65 49.65 13.54 26.81 2.61 5.62 0.00 0.97 0.80 42 G C C 56.50 2.45 11.24 14.86 107.36 15.11 36.40 -0.59 84.53 2.84 12.63 39.96 17.55 27.86 4.08 7.76 0.00 1.43 1.35 43 A C C 73.91 4.48 9.42 15.60 106.98 78.72 -85.26 85.21 74.47 5.13 20.39 46.58 16.16 11.70 8.76 11.64 0.02 2.74 2.40 44 S C C 76.11 3.62 11.02 16.23 110.01 -141.93 -90.54 107.83 69.55 6.69 23.76 48.60 11.20 9.26 12.28 11.98 0.02 4.15 2.51 45 I C C 108.90 5.35 9.89 16.81 103.43 -141.02 -85.90 11.47 55.34 7.20 37.46 33.44 10.68 11.73 16.66 20.69 0.07 4.56 2.17 46 A C C 72.84 4.56 11.02 17.12 103.46 75.34 -81.78 22.96 53.81 7.48 38.70 31.51 9.95 13.30 15.32 22.85 0.07 4.92 2.08 47 L C C 113.67 4.17 10.78 16.58 105.16 67.15 -87.31 41.38 57.92 7.90 34.17 30.49 12.99 15.95 12.86 20.18 0.12 4.75 2.66 48 S C C 74.62 4.45 11.36 17.49 113.51 78.81 -93.82 127.99 73.41 7.28 19.31 41.16 19.15 13.79 7.11 11.69 0.03 4.05 3.02 49 R C C 142.30 5.07 11.03 18.02 117.48 -139.05 -95.91 134.46 92.99 5.04 1.97 62.23 29.29 1.87 1.12 0.84 0.00 2.63 2.02 50 P C C 78.59 6.18 10.34 18.32 112.88 -107.99 -66.39 148.46 89.39 3.87 6.74 74.50 7.93 6.89 2.86 3.77 0.00 2.43 1.63 51 S C C 81.75 3.18 10.53 15.43 107.99 -116.01 -78.82 127.95 81.20 4.09 14.71 53.68 13.42 13.76 5.88 8.96 0.00 2.14 2.14 52 L C C 113.55 4.11 9.82 15.53 104.37 -135.22 -82.58 11.07 74.21 3.67 22.12 34.76 19.61 20.69 9.55 11.69 0.04 1.71 1.97 53 N C C 99.57 4.25 9.96 15.83 106.47 78.69 -89.78 80.61 74.41 2.59 23.01 43.00 14.52 16.98 11.62 11.17 0.01 1.25 1.44 54 K C C 137.91 3.71 10.31 15.69 101.81 159.17 -82.53 -6.91 63.54 2.14 34.32 31.28 15.18 18.02 20.29 13.03 0.04 0.97 1.19 55 D C C 106.46 2.27 11.54 14.84 103.88 69.96 -85.02 31.38 64.14 2.02 33.84 34.62 13.13 17.04 21.54 11.61 0.03 0.97 1.07 56 F C C 118.68 6.04 9.33 16.82 104.34 119.47 -86.45 42.57 53.65 2.01 44.34 32.59 10.76 11.13 31.76 11.80 0.02 1.00 0.94 57 R C H 140.78 4.18 11.78 17.48 104.33 80.03 -83.47 1.03 54.30 1.82 43.89 33.24 11.16 11.19 35.42 7.26 0.03 0.86 0.83 58 D C C 83.96 3.82 12.66 17.71 107.73 54.87 -83.91 102.96 56.71 1.30 41.99 38.89 8.95 9.41 36.03 5.49 0.01 0.59 0.62 59 H H H 117.49 4.65 12.15 18.11 95.73 -118.85 -67.22 -34.67 18.77 0.31 80.92 11.01 4.22 5.05 76.71 2.73 0.01 0.13 0.13 60 A H H 67.41 2.03 14.95 16.91 93.22 55.85 -65.29 -40.04 9.75 0.16 90.09 4.61 1.70 3.97 87.01 2.55 0.01 0.09 0.06 61 E H H 93.12 4.35 15.14 20.68 92.78 50.29 -66.85 -39.50 7.29 0.14 92.56 3.90 1.10 2.77 89.75 2.35 0.01 0.08 0.05 62 Q H H 63.58 10.09 13.71 24.83 92.22 52.47 -64.84 -40.11 4.46 0.07 95.46 2.36 0.63 1.67 93.94 1.33 0.00 0.04 0.02 63 Q H H 98.86 3.77 17.67 21.96 92.17 51.01 -65.16 -40.10 3.53 0.06 96.40 1.73 0.48 1.42 95.47 0.84 0.00 0.03 0.02 64 H H H 109.66 2.51 19.41 21.35 92.43 49.86 -65.78 -40.62 3.67 0.09 96.24 1.92 0.43 1.37 95.56 0.64 0.00 0.05 0.03 65 I H H 56.68 9.43 17.31 27.76 92.51 50.04 -65.38 -41.73 2.02 0.03 97.95 0.95 0.24 0.79 97.64 0.36 0.00 0.02 0.01 66 A H H 34.38 10.71 17.01 28.63 91.77 51.88 -63.52 -41.60 1.38 0.01 98.60 0.61 0.15 0.55 98.42 0.25 0.00 0.01 0.00 67 A H H 57.82 3.20 21.35 24.06 91.65 50.33 -64.64 -40.66 1.20 0.01 98.79 0.40 0.10 0.59 98.68 0.22 0.00 0.00 0.00 68 Q H H 89.24 4.76 21.35 26.33 91.88 50.10 -65.14 -40.64 1.12 0.00 98.87 0.28 0.09 0.60 98.85 0.17 0.00 0.00 0.00 69 Q H H 41.75 15.99 17.61 33.46 91.89 51.19 -64.25 -41.34 0.77 0.00 99.23 0.21 0.05 0.38 99.27 0.09 0.00 0.00 0.00 70 K H H 92.65 9.49 21.18 30.77 91.60 51.92 -63.13 -41.51 0.26 0.00 99.74 0.05 0.01 0.14 99.76 0.04 0.00 0.00 0.00 71 A H H 55.77 2.73 24.00 25.59 91.38 50.45 -63.92 -42.34 0.13 0.00 99.87 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 72 A H H 23.60 11.36 19.95 32.40 91.72 50.41 -64.14 -42.42 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 73 L H H 28.97 18.13 18.02 35.82 91.87 50.72 -64.07 -41.74 0.17 0.00 99.83 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 74 Q H H 94.81 4.95 22.79 27.94 91.46 50.81 -63.61 -41.43 0.28 0.00 99.72 0.02 0.01 0.17 99.74 0.05 0.00 0.00 0.00 75 H H H 99.13 3.66 22.86 26.11 91.82 49.15 -64.80 -40.94 0.56 0.00 99.44 0.05 0.02 0.38 99.41 0.13 0.00 0.00 0.00 76 A H H 16.12 16.49 16.13 33.09 92.03 51.23 -64.40 -40.94 0.71 0.00 99.29 0.07 0.04 0.48 99.02 0.39 0.00 0.00 0.00 77 H H H 75.08 13.48 17.16 30.48 91.90 51.29 -65.73 -34.61 2.48 0.01 97.52 0.17 0.13 2.05 96.65 1.00 0.00 0.00 0.00 78 A H H 77.30 2.69 19.87 22.54 92.01 53.57 -70.88 -24.55 9.38 0.01 90.60 0.32 0.41 8.71 89.63 0.91 0.01 0.00 0.01 79 H H H 120.75 4.66 18.04 23.33 100.46 39.20 -103.11 -5.58 30.14 0.23 69.63 2.25 3.88 24.16 68.20 1.17 0.11 0.07 0.16 80 S C C 26.18 18.68 9.64 27.20 121.06 93.86 -89.34 146.60 86.68 8.53 4.79 59.72 19.66 7.07 3.31 1.64 0.01 4.03 4.55 81 S C C 79.10 3.71 19.32 23.53 102.32 -153.02 -91.67 4.55 86.50 11.16 2.34 47.87 27.07 12.26 0.62 1.81 0.00 7.23 3.15 82 G C S 30.80 9.60 17.81 27.65 130.77 49.55 134.07 -170.74 83.64 14.50 1.86 14.97 52.73 16.10 0.26 1.56 0.00 12.56 1.83 83 Y C S 108.63 10.61 19.81 30.39 118.23 -59.10 -98.57 139.22 67.48 30.34 2.18 28.80 30.67 9.92 0.41 1.83 0.02 25.18 3.17 84 F E E 57.61 17.69 16.61 33.63 120.93 -152.40 -107.33 135.96 43.64 55.45 0.91 30.24 11.57 1.75 0.44 0.69 0.01 45.51 9.79 85 I E E 60.52 11.93 19.26 31.76 120.58 -161.38 -111.02 131.51 47.17 52.44 0.39 38.12 7.15 0.74 0.20 0.29 0.00 45.88 7.62 86 T C C 47.20 13.04 15.89 29.40 117.25 -135.57 -87.71 139.71 68.05 31.33 0.62 61.42 4.42 0.88 0.26 0.42 0.00 27.71 4.90 87 Q C C 93.66 9.34 15.35 25.41 100.94 -157.61 -89.31 -6.53 84.27 13.43 2.30 36.53 32.16 16.78 0.54 1.77 0.02 9.52 2.68 88 D C S 109.21 2.87 16.43 19.98 98.92 51.74 -91.74 15.42 90.29 7.26 2.45 29.02 40.01 21.85 0.40 2.09 0.01 4.55 2.07 89 S C C 31.42 13.00 9.52 22.96 128.03 106.75 -105.70 162.69 80.51 14.05 5.44 48.97 23.22 7.63 1.49 3.90 0.01 5.27 9.52 90 A C T 86.16 2.88 15.19 19.29 91.73 -115.46 -67.24 -23.99 91.82 1.67 6.51 5.36 33.10 53.68 0.74 5.34 0.00 0.94 0.84 91 F C T 118.54 6.13 14.47 21.75 96.61 50.12 -94.46 -1.05 90.09 3.81 6.10 6.26 31.55 52.55 0.72 5.06 0.01 2.10 1.75 92 G C C 28.01 7.86 16.13 25.42 116.06 -119.39 84.05 167.31 84.08 12.57 3.35 40.83 32.35 11.21 0.67 2.85 0.01 6.33 5.75 93 N C C 52.69 14.11 15.14 29.29 115.22 -33.62 -100.78 124.36 80.79 16.57 2.63 58.41 14.82 6.92 0.74 2.16 0.00 9.78 7.17 94 L C S 76.56 11.49 19.14 30.86 96.02 -168.10 -80.40 -17.58 75.74 21.02 3.24 23.79 35.16 18.53 0.64 2.58 0.03 14.96 4.32 95 I C S 60.23 14.27 19.39 32.95 98.78 58.05 -88.68 -24.53 59.04 37.03 3.93 19.13 27.21 15.36 1.23 2.69 0.25 25.61 8.53 96 L C C 37.81 17.90 17.77 34.86 112.20 67.52 -105.92 106.03 61.38 35.27 3.35 34.29 23.06 5.56 1.45 2.11 0.07 25.79 7.66 97 P C C 52.00 11.94 20.59 32.94 97.47 -161.22 -70.42 -17.84 68.49 27.19 4.32 36.29 22.13 12.21 1.37 2.85 0.04 21.42 3.69 98 V C C 41.75 15.66 18.47 33.64 117.66 65.68 -107.98 127.01 54.30 37.58 8.12 26.87 19.86 9.58 3.68 4.38 0.79 19.67 15.17 99 L C C 52.14 14.95 17.76 32.43 114.78 -109.98 -85.35 123.74 63.49 21.76 14.75 34.37 20.24 10.97 3.73 10.10 0.14 15.40 5.04 100 P C C 55.63 12.26 17.01 29.50 100.48 -79.43 -69.43 -7.77 74.11 11.41 14.48 40.30 16.54 18.24 2.52 11.86 0.02 8.26 2.26 101 R C C 119.17 8.43 16.43 25.48 107.16 56.18 -92.96 82.69 74.24 12.78 12.98 47.97 12.96 12.98 2.64 10.73 0.02 7.67 5.02 102 L C C 77.30 11.19 11.63 23.32 108.01 92.31 -85.55 108.79 84.42 13.06 2.52 63.55 15.90 3.94 0.91 1.75 0.00 6.15 7.79 103 D C C 91.11 5.05 11.42 18.09 112.40 -126.10 -95.42 119.09 96.44 3.39 0.17 84.47 11.39 0.67 0.06 0.10 0.00 2.29 1.02 104 P C C 92.60 5.10 9.30 16.28 107.55 -132.64 -70.56 138.68 98.39 1.19 0.42 96.08 1.02 1.52 0.13 0.16 0.00 0.66 0.43 105 E C C 148.57 2.02 12.06 15.26 106.68 -110.42 -78.55 81.79 99.91 0.06 0.03 99.53 0.23 0.18 0.01 0.00 0.00 0.03 0.01