# 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 M C C 63.34 12.46 14.11 27.08 117.60 -141.11 -93.76 134.14 99.94 0.04 0.01 99.82 0.12 0.03 0.01 0.00 0.00 0.02 0.01 1 P C C 59.32 7.44 15.66 24.48 106.93 -115.88 -67.91 140.79 80.11 1.23 18.66 68.48 1.34 10.28 15.97 2.64 0.00 0.54 0.75 2 F C H 84.71 12.34 12.74 25.30 95.79 -126.06 -67.01 -28.42 53.55 1.76 44.68 21.13 10.26 24.08 36.16 6.36 0.14 0.76 1.11 3 F H H 98.73 7.40 13.71 22.37 94.04 59.54 -67.48 -36.09 37.43 1.39 61.19 13.75 8.93 17.35 51.24 7.15 0.20 0.68 0.70 4 D H H 76.11 3.54 16.01 20.27 93.78 54.25 -67.88 -34.76 25.25 0.61 74.15 15.03 4.38 7.81 67.03 5.17 0.02 0.31 0.25 5 V H H 43.27 9.29 13.42 24.37 93.01 53.56 -66.26 -40.83 7.26 0.17 92.57 2.68 1.29 3.88 87.09 4.88 0.03 0.10 0.05 6 Q H H 50.15 11.74 11.88 24.64 92.79 52.56 -65.04 -39.66 4.13 0.11 95.77 1.16 0.58 2.49 90.19 5.46 0.02 0.07 0.03 7 K H H 139.17 2.09 14.78 17.51 92.26 52.51 -65.24 -38.87 4.36 0.08 95.57 0.90 0.51 2.87 88.40 7.23 0.02 0.05 0.02 8 R H H 152.41 2.68 13.85 17.50 92.28 52.07 -67.46 -33.29 11.79 0.10 88.11 1.06 1.04 9.59 81.92 6.23 0.06 0.05 0.05 9 L C T 75.20 8.44 11.36 21.19 95.56 44.86 -90.87 -2.07 51.88 0.20 47.92 1.39 2.90 47.16 43.28 4.93 0.08 0.08 0.17 10 G C T 58.53 1.37 16.52 17.30 95.71 -112.81 76.12 18.58 99.34 0.07 0.60 10.85 3.22 85.45 0.27 0.15 0.00 0.04 0.02 11 L C C 51.44 13.27 8.66 22.32 116.83 141.76 -95.69 131.25 97.60 1.57 0.83 92.13 4.64 0.87 0.48 0.24 0.00 0.66 0.98 12 D C C 82.69 3.75 17.24 21.64 109.36 -142.47 -92.04 109.43 97.32 1.58 1.11 95.42 1.36 0.83 0.68 0.20 0.00 0.61 0.90 13 L H H 65.63 12.79 12.03 25.30 94.87 -169.26 -66.94 -32.13 26.80 0.68 72.52 15.48 4.55 9.30 61.49 8.46 0.04 0.32 0.36 14 D H H 87.87 3.79 15.98 20.74 92.48 60.44 -64.82 -37.02 14.61 0.20 85.19 2.14 1.77 10.32 72.57 12.90 0.09 0.12 0.09 15 R H H 121.47 4.53 16.34 21.75 93.24 51.98 -67.84 -37.84 9.65 0.18 90.17 1.64 1.12 6.43 75.68 14.91 0.04 0.12 0.05 16 W H H 73.33 12.82 13.47 26.78 93.27 52.48 -67.31 -39.98 7.76 0.27 91.97 2.07 1.15 4.58 80.07 11.83 0.04 0.19 0.07 17 M H H 81.76 8.75 15.64 25.28 93.66 50.65 -69.03 -35.70 12.18 1.01 86.80 3.95 2.08 7.03 76.71 9.10 0.14 0.72 0.27 18 T H H 76.87 4.40 17.39 22.35 95.49 50.66 -74.66 -34.02 19.86 1.37 78.76 6.05 3.59 11.66 69.32 7.77 0.24 0.92 0.45 19 I H H 77.39 9.02 15.89 25.61 98.38 48.11 -80.30 -22.78 26.53 1.75 71.73 8.72 5.85 14.13 61.96 7.32 0.32 1.03 0.67 20 Q H H 73.83 11.85 15.11 27.10 101.96 68.89 -83.08 -5.83 37.82 2.61 59.57 14.52 8.19 17.83 49.56 7.13 0.26 1.38 1.13 21 S C H 53.54 9.44 15.55 25.66 106.40 68.42 -87.24 41.67 56.41 2.94 40.65 23.91 11.76 22.49 29.26 9.52 0.14 1.38 1.54 22 A C C 51.45 9.29 14.57 24.78 114.49 94.59 -85.26 141.32 71.28 4.22 24.50 32.96 18.22 21.18 14.30 9.15 0.08 1.97 2.15 23 E C C 109.58 6.41 14.47 22.18 114.38 -114.82 -87.09 135.40 77.06 9.83 13.12 46.07 19.28 11.55 6.69 5.99 0.06 4.10 6.26 24 Q C C 69.09 10.01 10.86 22.03 120.74 -149.63 -100.12 148.72 90.03 7.20 2.77 63.89 21.12 4.22 1.24 1.56 0.00 2.95 5.02 25 P C T 92.18 4.94 12.27 18.48 100.61 -103.32 -64.70 -9.95 91.72 0.81 7.47 10.25 13.56 67.30 1.23 6.71 0.00 0.44 0.50 26 H C T 140.26 3.05 12.27 16.32 100.42 34.47 -90.69 11.92 91.32 0.86 7.82 7.95 15.71 67.24 1.32 6.76 0.00 0.48 0.54 27 K C S 129.52 4.93 11.58 18.13 109.96 38.39 -88.76 104.93 87.19 5.54 7.27 31.93 41.68 13.31 1.48 5.53 0.01 2.16 3.91 28 I C C 97.31 5.33 12.35 19.31 118.04 -117.58 -96.81 137.87 92.75 4.98 2.26 48.22 37.89 6.61 0.84 1.38 0.00 2.26 2.79 29 P C C 77.68 6.81 13.34 21.55 111.98 -100.69 -66.54 146.21 92.05 4.12 3.83 59.29 21.14 11.30 1.41 2.35 0.00 1.69 2.81 30 G C C 32.91 8.91 13.41 23.10 122.23 -135.61 -101.10 -172.92 88.27 2.83 8.91 57.50 20.11 10.06 3.89 4.66 0.00 0.88 2.89 31 R C T 145.95 4.93 17.82 23.60 93.78 -79.14 -69.07 -24.87 89.27 0.50 10.23 2.98 8.90 77.79 4.69 4.90 0.01 0.24 0.49 32 C C T 23.03 17.44 12.79 30.35 97.10 50.61 -96.14 0.24 89.06 0.16 10.78 4.91 4.80 79.85 6.76 3.46 0.00 0.07 0.15 33 H H H 71.36 11.20 15.71 27.89 92.73 93.36 -60.12 -41.73 2.93 0.01 97.06 1.22 0.40 1.10 96.58 0.69 0.00 0.00 0.00 34 A H H 61.17 2.97 21.71 24.10 91.54 51.86 -64.28 -39.84 0.52 0.00 99.48 0.09 0.03 0.29 99.30 0.29 0.00 0.00 0.00 35 F H H 49.75 13.11 18.86 32.41 92.19 49.78 -65.63 -41.26 0.20 0.00 99.79 0.03 0.01 0.11 99.62 0.23 0.00 0.00 0.00 36 E H H 31.11 18.24 17.59 35.47 91.98 51.58 -63.57 -41.77 0.09 0.00 99.91 0.01 0.00 0.05 99.88 0.05 0.00 0.00 0.00 37 K H H 101.62 6.08 22.59 29.01 91.78 51.12 -64.02 -41.11 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 38 E H H 84.82 6.94 22.87 30.07 91.84 50.41 -64.87 -41.12 0.13 0.00 99.87 0.00 0.00 0.11 99.85 0.03 0.00 0.00 0.00 39 W H H 30.56 19.24 19.13 38.09 92.02 50.32 -64.46 -42.64 0.17 0.00 99.83 0.01 0.00 0.14 99.76 0.08 0.00 0.00 0.00 40 I H H 44.17 13.91 21.31 35.10 91.76 50.34 -63.76 -42.21 0.35 0.00 99.65 0.02 0.01 0.28 99.51 0.18 0.00 0.00 0.00 41 E H H 101.57 3.71 25.29 28.78 91.66 50.28 -64.42 -40.80 1.57 0.00 98.43 0.08 0.07 1.36 97.76 0.73 0.00 0.00 0.00 42 C H H 21.39 13.07 19.43 33.61 92.26 50.97 -65.21 -40.13 4.29 0.01 95.69 0.28 0.24 3.66 93.23 2.57 0.01 0.00 0.00 43 A H H 17.17 17.09 17.38 34.63 91.97 53.43 -66.19 -34.19 9.04 0.08 90.88 1.16 0.93 6.89 84.16 6.73 0.05 0.04 0.04 44 H H H 105.32 7.05 20.23 27.77 93.18 55.38 -69.56 -27.36 21.02 0.25 78.74 1.89 2.03 16.85 70.08 8.67 0.19 0.13 0.15 45 G H H 38.83 6.89 18.06 25.64 99.29 56.77 -74.40 -22.75 34.96 0.56 64.48 3.57 4.22 26.66 56.70 7.95 0.29 0.27 0.34 46 I C T 67.34 12.34 12.70 25.24 104.51 57.70 -94.22 32.66 61.74 3.18 35.08 7.06 13.46 40.08 28.43 6.44 0.86 1.42 2.27 47 G C T 50.57 3.69 15.64 20.27 103.72 -41.26 78.91 5.09 79.42 1.04 19.54 12.65 14.73 51.66 13.94 5.76 0.03 0.47 0.75 48 G C T 52.45 3.57 15.46 19.80 101.42 -32.27 65.05 -33.44 76.75 1.01 22.25 11.35 28.56 37.99 13.03 7.80 0.05 0.41 0.82 49 I C T 88.68 7.24 14.02 22.32 105.31 44.34 -93.63 16.51 71.16 3.56 25.28 11.93 29.62 30.40 16.91 7.14 0.28 1.55 2.19 50 R C C 119.51 6.11 18.29 24.93 100.75 -110.28 -71.41 56.70 69.77 3.55 26.69 41.35 9.45 18.86 21.21 5.57 0.03 1.74 1.80 51 A H H 14.51 17.55 13.42 31.13 94.75 106.51 -62.42 -40.76 17.48 0.68 81.85 7.92 3.31 7.31 68.04 12.67 0.07 0.40 0.28 52 E H H 82.17 11.74 17.60 29.31 92.66 53.51 -64.25 -38.24 9.10 0.28 90.62 2.07 1.30 5.46 74.87 15.98 0.05 0.19 0.08 53 K H H 121.03 2.63 21.54 23.44 92.91 50.34 -67.84 -38.07 7.43 0.23 92.34 1.53 1.02 4.51 75.56 17.12 0.04 0.17 0.06 54 E H H 71.14 9.49 18.15 28.33 93.59 50.33 -71.77 -33.96 14.40 0.47 85.13 2.68 2.41 9.39 72.00 12.84 0.19 0.27 0.21 55 C H H 11.90 19.90 11.49 31.05 96.57 52.91 -83.98 -14.22 45.94 1.10 52.97 14.21 7.39 25.65 41.95 9.40 0.14 0.50 0.76 56 K H H 115.72 5.83 17.21 24.30 93.71 87.49 -63.06 -38.77 42.91 0.80 56.29 9.80 7.30 25.56 39.52 16.76 0.16 0.36 0.53 57 I H H 107.01 3.15 17.61 20.99 93.90 49.54 -69.00 -34.64 43.36 0.44 56.19 3.88 6.75 31.10 39.83 17.63 0.25 0.22 0.35 58 E H H 78.06 10.38 15.34 26.25 99.03 40.25 -89.94 -18.38 41.75 0.60 57.65 6.62 7.82 26.11 39.35 19.20 0.20 0.29 0.42 59 F H H 70.96 14.62 14.59 28.49 98.14 48.57 -69.57 -21.51 43.43 0.89 55.68 9.35 7.55 26.14 35.44 20.37 0.17 0.41 0.58 60 D C T 88.25 5.72 18.95 25.25 97.42 89.86 -70.68 -13.08 50.38 0.82 48.79 10.98 8.11 30.86 29.70 19.28 0.13 0.39 0.54 61 D C H 50.50 10.47 17.59 28.76 101.65 56.62 -96.23 20.16 51.79 0.99 47.22 33.35 7.40 12.00 34.73 11.44 0.01 0.43 0.64 62 F H H 45.70 16.68 16.16 32.69 94.50 93.10 -64.72 -38.67 11.37 0.15 88.48 4.63 2.45 4.91 85.46 2.39 0.03 0.06 0.07 63 V H H 66.20 8.26 21.01 29.56 92.15 52.45 -64.40 -41.82 4.28 0.04 95.68 0.89 0.60 2.76 93.44 2.26 0.02 0.02 0.01 64 E H H 68.33 6.48 20.81 28.16 92.01 50.05 -64.53 -41.85 2.83 0.02 97.15 0.50 0.30 1.87 94.28 3.02 0.00 0.01 0.01 65 C H H 18.54 13.23 17.30 31.93 91.79 49.94 -64.15 -41.87 3.90 0.02 96.08 0.53 0.35 2.74 92.67 3.70 0.01 0.01 0.01 66 L H H 51.44 10.64 18.96 30.34 91.86 49.68 -65.57 -39.98 13.77 0.05 86.18 0.95 1.00 11.48 83.34 3.16 0.02 0.02 0.03 67 L H H 73.38 6.74 19.47 26.84 92.16 51.02 -67.95 -38.17 24.47 0.10 75.43 2.82 2.43 19.17 73.42 2.02 0.03 0.04 0.07 68 R H H 106.89 7.33 18.62 26.63 92.66 54.59 -65.17 -40.69 6.81 0.04 93.14 2.30 1.10 3.01 93.06 0.50 0.00 0.01 0.01 69 Q H H 83.96 5.92 19.40 25.81 92.30 51.17 -65.33 -41.25 1.27 0.01 98.73 0.35 0.13 0.64 98.60 0.27 0.00 0.00 0.00 70 K H H 77.56 6.88 17.78 25.73 91.96 50.15 -64.58 -41.34 0.52 0.00 99.48 0.11 0.04 0.28 99.34 0.23 0.00 0.00 0.00 71 T H H 54.98 6.94 17.74 25.80 91.99 50.24 -64.64 -41.58 0.40 0.00 99.60 0.08 0.03 0.22 99.53 0.15 0.00 0.00 0.00 72 M H H 88.33 4.59 18.22 23.55 91.90 49.98 -64.50 -41.37 0.34 0.00 99.66 0.05 0.02 0.20 99.67 0.07 0.00 0.00 0.00 73 K H H 116.07 3.01 18.95 22.04 91.77 50.07 -64.73 -41.30 0.36 0.00 99.64 0.06 0.01 0.20 99.68 0.05 0.00 0.00 0.00 74 R H H 105.75 6.29 17.60 24.57 91.87 50.08 -64.39 -41.32 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 75 L H H 67.76 6.46 17.21 24.87 91.85 50.07 -63.92 -41.74 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 76 S H H 51.65 3.02 18.85 21.89 91.34 50.48 -63.72 -41.30 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 77 A H H 43.36 4.11 18.05 23.06 91.63 50.41 -63.61 -41.56 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 78 I H H 61.60 7.62 16.72 25.47 92.03 49.41 -64.78 -42.01 0.10 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 79 K H H 99.63 5.00 17.86 23.64 91.62 50.31 -63.99 -40.99 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 80 R H H 134.89 1.88 19.59 20.37 91.71 49.87 -64.61 -41.73 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 81 Q H H 77.94 4.74 18.10 23.55 91.70 49.72 -64.53 -41.07 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 82 R H H 82.19 9.42 15.95 26.34 91.95 50.49 -64.34 -41.01 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 83 D H H 72.79 3.53 17.91 21.88 91.48 50.24 -63.95 -40.78 0.20 0.00 99.80 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 84 K H H 106.87 1.93 18.07 19.07 91.65 50.22 -64.47 -41.27 0.27 0.00 99.73 0.02 0.01 0.19 99.72 0.05 0.00 0.00 0.00 85 L H H 47.82 6.10 13.71 22.03 91.66 50.14 -64.52 -40.98 0.52 0.00 99.48 0.05 0.03 0.37 99.40 0.15 0.00 0.00 0.00 86 I H H 67.74 7.01 11.83 20.59 92.16 50.02 -64.48 -41.71 0.87 0.00 99.13 0.10 0.05 0.64 98.76 0.45 0.00 0.00 0.00 87 K H H 154.40 1.13 13.35 14.37 90.90 52.18 -65.07 -31.89 4.42 0.01 95.57 0.15 0.16 4.12 95.03 0.52 0.01 0.00 0.00 88 E C T 130.41 1.49 12.00 13.70 91.88 52.69 -84.42 -4.74 75.93 0.02 24.05 0.30 1.06 73.76 24.16 0.69 0.00 0.00 0.02 89 G C T 59.04 1.60 11.34 14.06 94.97 -113.52 78.74 11.27 99.63 0.01 0.36 0.89 2.20 96.69 0.15 0.06 0.00 0.01 0.00 90 K C S 137.56 2.13 12.70 15.74 97.13 122.70 -86.76 -13.56 99.17 0.58 0.25 45.25 51.71 2.23 0.08 0.15 0.00 0.21 0.36 91 Y C C 79.78 11.80 8.40 20.64 126.33 40.83 -125.43 141.55 96.92 2.71 0.38 55.11 39.83 1.91 0.12 0.23 0.00 0.83 1.97 92 T C C 92.86 2.61 16.08 19.65 120.20 -156.33 -111.25 137.76 98.70 1.25 0.06 85.35 13.17 0.24 0.02 0.03 0.00 0.47 0.71 93 P C C 76.00 8.00 11.46 20.91 116.57 -104.32 -65.55 148.52 99.65 0.30 0.05 88.49 10.96 0.22 0.02 0.02 0.00 0.11 0.17 94 P C C 59.67 7.53 10.34 19.76 115.34 -102.92 -64.62 151.73 97.57 0.22 2.21 89.32 6.02 2.12 0.55 1.74 0.00 0.09 0.16 95 P C C 116.36 1.45 12.57 14.43 95.14 -104.21 -63.79 -23.66 81.19 0.81 18.00 49.84 13.78 15.72 3.01 16.75 0.00 0.38 0.51 96 H C C 126.95 3.63 10.54 15.66 108.88 55.92 -93.59 64.31 72.66 3.44 23.90 42.46 14.10 15.66 4.44 19.91 0.00 1.71 1.72 97 H C C 98.53 8.21 8.70 17.96 106.74 96.86 -88.33 96.31 73.94 5.55 20.51 51.58 10.31 11.25 4.77 16.44 0.01 3.00 2.65 98 L C T 115.71 3.52 10.93 15.90 106.36 111.58 -93.34 34.99 85.65 3.85 10.50 32.72 16.95 36.89 2.93 6.64 0.01 1.84 2.02 99 G C T 48.84 4.04 9.73 15.26 114.28 -77.65 87.61 158.05 92.34 1.68 5.98 27.93 24.84 39.84 1.14 4.61 0.00 0.79 0.85 100 K C C 155.95 1.97 9.65 12.99 110.51 -91.00 -94.54 113.21 93.76 2.57 3.66 58.59 27.86 7.05 1.02 2.60 0.00 1.02 1.86 101 E C C 138.43 2.32 8.87 13.09 116.10 -123.19 -90.18 140.93 96.17 2.22 1.61 67.24 23.61 5.08 0.43 1.21 0.00 0.94 1.49 102 D C C 108.36 2.41 9.09 13.33 114.02 -107.54 -82.25 131.20 98.90 0.88 0.22 73.57 24.30 1.09 0.06 0.14 0.00 0.38 0.46 103 P C C 101.02 3.61 7.89 13.32 108.07 -107.52 -70.29 140.25 99.12 0.66 0.22 85.75 11.33 2.00 0.06 0.16 0.00 0.29 0.40 104 R C C 170.47 2.00 8.26 12.14 117.61 -139.20 -98.93 136.35 99.36 0.61 0.03 97.17 2.18 0.13 0.01 0.01 0.00 0.23 0.27 105 P C C 102.78 2.76 10.87 15.27 111.19 -96.22 -67.70 146.03 99.92 0.07 0.01 99.64 0.25 0.06 0.00 0.00 0.00 0.03 0.01