# 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 47.08 13.07 15.43 28.23 113.97 -145.70 -90.95 135.33 99.81 0.16 0.03 99.71 0.13 0.04 0.01 0.00 0.00 0.07 0.03 1 T C C 56.68 9.64 13.18 23.81 115.43 -137.66 -86.82 142.01 86.35 0.37 13.28 83.63 0.90 2.30 11.96 0.87 0.00 0.14 0.21 2 P C H 92.08 3.64 13.46 18.37 96.48 -114.72 -64.35 -31.17 52.72 0.56 46.72 19.75 5.47 27.33 38.63 8.18 0.02 0.28 0.33 3 S H H 65.34 4.29 13.61 19.02 97.10 51.50 -71.86 -23.62 41.73 0.54 57.72 14.01 4.63 23.07 47.65 10.02 0.04 0.28 0.31 4 L H H 52.37 13.31 11.67 25.20 94.22 65.01 -66.61 -37.83 12.51 0.31 87.18 5.75 2.51 5.05 76.14 10.24 0.02 0.18 0.10 5 R H H 131.90 5.49 15.16 21.95 92.80 55.04 -64.54 -39.83 7.65 0.17 92.18 2.48 1.20 4.29 84.99 6.87 0.03 0.11 0.05 6 G H H 37.93 2.43 16.77 19.23 92.65 50.74 -64.39 -40.45 8.33 0.15 91.51 2.32 1.24 5.09 83.69 7.48 0.03 0.10 0.05 7 R H H 88.15 8.51 15.08 24.76 92.76 51.38 -66.80 -39.37 7.89 0.17 91.94 2.54 1.23 4.54 84.57 6.94 0.03 0.11 0.05 8 L H H 47.48 13.02 12.81 26.44 92.39 51.91 -65.49 -38.39 9.61 0.24 90.16 2.81 1.49 5.72 81.90 7.80 0.05 0.15 0.08 9 A H H 72.84 2.87 16.39 19.77 91.77 56.35 -66.51 -28.74 23.01 0.32 76.67 4.28 2.73 16.22 69.80 6.57 0.08 0.17 0.16 10 R H H 149.32 3.19 14.98 19.10 95.17 56.86 -81.58 -11.43 46.96 0.86 52.18 9.71 6.27 31.64 44.91 6.43 0.12 0.39 0.52 11 L C T 70.35 12.20 9.86 22.24 105.99 88.52 -76.17 96.02 70.57 1.68 27.75 26.00 13.87 31.14 22.82 4.47 0.04 0.67 0.99 12 G C C 58.80 2.08 15.12 17.60 100.60 -57.47 70.89 7.97 91.55 1.04 7.41 38.87 19.91 33.34 3.97 2.85 0.00 0.45 0.60 13 N C C 72.58 7.96 9.68 19.10 114.48 122.62 -102.93 121.08 98.32 1.06 0.62 74.87 21.63 1.70 0.24 0.34 0.00 0.38 0.83 14 P C T 108.45 2.79 12.05 16.31 95.60 -146.27 -70.45 -15.80 97.90 0.48 1.62 30.11 31.43 36.20 0.19 1.61 0.00 0.24 0.21 15 R C S 153.59 2.69 12.76 16.97 115.88 85.91 -87.00 142.21 97.83 0.90 1.26 29.00 41.94 26.73 0.14 1.34 0.00 0.46 0.39 16 R C C 146.60 5.72 13.89 21.31 113.95 -108.73 -78.84 132.09 98.24 1.50 0.26 68.58 29.10 0.66 0.08 0.17 0.00 0.61 0.80 17 P C C 42.18 15.31 11.15 26.55 115.10 -113.46 -69.44 145.57 98.28 1.49 0.23 96.58 1.59 0.37 0.06 0.11 0.00 0.77 0.52 18 I C C 98.36 5.66 18.77 25.07 112.00 -124.43 -83.52 127.11 95.33 4.38 0.29 78.78 15.67 0.92 0.09 0.21 0.00 1.86 2.47 19 L C C 56.12 16.41 11.02 27.02 115.92 -140.08 -93.39 130.01 91.28 8.46 0.26 78.25 12.36 0.57 0.10 0.16 0.00 3.18 5.37 20 K C C 127.45 4.46 17.88 23.60 116.99 -162.13 -113.73 121.10 97.67 2.26 0.07 94.26 3.54 0.17 0.02 0.04 0.00 1.36 0.61 21 P C C 59.56 13.37 12.13 25.63 114.40 -116.14 -68.45 146.12 97.11 2.17 0.71 90.62 4.37 2.23 0.17 0.47 0.00 1.18 0.96 22 N C C 106.01 5.49 15.73 22.32 100.10 -146.41 -88.78 6.12 98.30 1.02 0.68 55.31 39.37 3.67 0.15 0.50 0.00 0.42 0.59 23 K C S 106.03 6.26 15.91 23.48 127.62 40.97 -122.84 145.82 97.03 1.90 1.07 27.73 68.44 1.34 0.41 0.45 0.00 0.82 0.81 24 P C C 70.60 8.59 17.36 26.71 115.37 -96.57 -67.87 149.12 95.07 2.33 2.61 86.06 6.94 2.34 0.71 1.71 0.00 1.52 0.71 25 L C C 35.78 19.71 13.54 32.77 113.03 -110.42 -77.88 134.67 84.84 11.53 3.63 78.19 4.60 1.87 1.76 1.82 0.00 7.61 4.15 26 I C C 83.56 8.46 21.86 30.85 121.23 -160.73 -112.26 132.49 72.69 23.68 3.63 62.51 6.58 1.77 2.63 1.36 0.00 14.36 10.80 27 L C C 35.24 19.58 13.40 32.27 114.65 -140.45 -89.72 134.18 79.14 15.52 5.34 68.01 7.44 2.99 3.06 2.43 0.00 11.04 5.03 28 A C C 48.98 8.38 18.47 27.43 113.02 -126.17 -76.31 156.89 81.64 4.76 13.60 47.08 21.42 13.73 6.35 6.85 0.01 2.96 1.59 29 N C C 96.05 7.84 17.58 26.01 100.58 -94.90 -79.91 16.74 79.51 3.42 17.07 32.01 28.79 19.97 7.39 8.57 0.04 1.86 1.36 30 H C C 93.31 8.86 18.77 28.10 120.19 70.22 -116.10 139.81 73.03 11.10 15.87 51.88 11.25 9.31 8.44 7.62 0.02 6.72 4.77 31 V C C 37.48 17.12 13.95 30.47 111.64 -150.16 -93.27 120.87 68.23 10.94 20.84 44.86 12.71 10.70 13.27 7.52 0.06 6.47 4.41 32 G C C 28.49 10.87 16.38 27.59 111.76 29.72 -80.38 -33.48 70.70 5.36 23.94 34.85 16.57 19.97 12.62 10.75 0.05 3.18 2.01 33 E C C 109.98 6.66 15.87 23.35 102.08 18.32 -84.30 16.59 71.19 2.56 26.25 31.13 18.29 22.65 12.66 12.68 0.05 1.19 1.34 34 R C C 117.79 8.53 12.60 22.12 105.28 103.74 -84.27 39.86 70.87 2.48 26.65 32.73 18.41 20.56 13.70 12.04 0.04 1.10 1.40 35 R C C 128.81 6.68 12.17 20.17 109.23 71.39 -83.84 105.96 76.26 2.96 20.78 46.44 14.95 14.91 11.60 9.06 0.01 1.41 1.62 36 R C C 150.25 4.59 12.18 18.25 104.85 -120.65 -80.43 38.44 78.18 2.70 19.13 45.41 18.62 14.25 11.51 7.49 0.01 1.30 1.40 37 E C C 116.73 4.85 10.76 17.28 112.89 83.01 -92.12 130.96 80.92 2.48 16.60 46.12 20.92 13.97 10.04 6.41 0.01 1.13 1.40 38 K C C 150.17 2.90 11.99 16.46 108.76 -114.43 -79.20 122.65 83.68 1.64 14.68 43.52 18.12 22.37 8.53 5.75 0.00 0.74 0.97 39 G C C 52.09 3.75 13.43 18.49 106.60 17.36 82.37 -1.40 85.78 1.34 12.88 36.42 24.81 25.25 6.80 5.33 0.00 0.55 0.82 40 E C C 102.14 7.58 13.66 22.34 108.65 92.21 -87.66 106.41 79.03 2.71 18.26 46.05 22.72 10.52 13.45 4.61 0.01 1.13 1.51 41 A C C 42.98 11.25 15.45 27.37 110.18 -122.16 -84.05 126.53 74.30 3.03 22.68 56.88 11.31 4.99 21.54 2.59 0.00 1.42 1.27 42 T C C 47.71 10.47 19.54 30.53 109.27 -139.83 -80.67 145.53 56.48 3.05 40.47 44.48 6.53 5.06 39.37 2.01 0.01 1.42 1.12 43 C H H 23.29 19.99 17.33 36.07 94.69 -83.46 -65.54 -38.00 22.03 0.73 77.25 13.16 4.54 4.60 76.03 1.07 0.01 0.33 0.25 44 I H H 61.40 12.14 20.95 32.97 92.59 53.53 -64.87 -40.80 3.68 0.08 96.23 1.94 0.50 1.12 96.01 0.37 0.00 0.03 0.02 45 T H H 62.09 6.09 23.65 29.89 92.14 50.91 -65.45 -41.10 1.03 0.02 98.95 0.55 0.11 0.35 98.77 0.21 0.00 0.01 0.00 46 E H H 27.39 17.62 20.46 37.67 92.24 50.62 -64.87 -42.10 0.33 0.00 99.66 0.12 0.03 0.14 99.61 0.09 0.00 0.00 0.00 47 M H H 21.61 20.12 20.30 39.69 91.77 50.72 -63.73 -41.25 0.15 0.00 99.85 0.04 0.01 0.07 99.84 0.03 0.00 0.00 0.00 48 S H H 48.05 7.11 24.06 31.55 91.36 51.76 -63.48 -41.18 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 49 V H H 50.56 9.69 23.67 33.78 91.66 50.16 -64.55 -42.16 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 M H H 10.14 22.53 19.89 41.98 91.53 50.46 -63.95 -42.56 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 51 M H H 49.82 14.14 22.03 35.89 91.32 50.61 -63.25 -41.64 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 52 A H H 47.27 4.11 23.91 27.86 91.36 51.51 -63.59 -41.10 0.36 0.00 99.63 0.02 0.02 0.28 99.58 0.11 0.00 0.00 0.00 53 C H H 14.95 13.46 18.17 33.16 91.56 50.34 -64.68 -41.18 1.23 0.00 98.77 0.09 0.07 0.96 98.56 0.32 0.00 0.00 0.00 54 W H H 32.89 18.52 14.97 33.40 92.22 51.78 -64.56 -39.70 3.37 0.02 96.61 0.58 0.35 2.34 95.71 1.01 0.01 0.01 0.01 55 K H H 124.27 4.51 18.20 23.62 92.03 54.21 -65.27 -36.93 8.08 0.04 91.88 0.89 0.66 6.46 90.66 1.28 0.02 0.01 0.02 56 Q H H 118.63 2.76 17.65 20.51 94.74 47.64 -81.10 -23.59 18.68 0.06 81.26 1.48 1.87 15.44 79.78 1.33 0.04 0.02 0.05 57 N C T 57.78 11.05 12.27 24.21 101.63 33.99 -108.21 18.23 68.64 0.61 30.75 10.39 12.84 44.50 29.15 2.41 0.04 0.19 0.47 58 E C T 125.00 4.28 18.59 23.65 96.08 -120.50 57.43 38.82 90.91 0.52 8.57 24.30 10.17 57.15 4.75 3.06 0.00 0.25 0.31 59 F C C 64.98 16.71 12.79 29.05 94.46 -70.48 62.42 31.21 88.89 1.51 9.60 50.94 15.57 22.77 4.28 4.69 0.00 0.63 1.11 60 R C C 123.05 4.55 18.46 23.95 109.33 143.91 -90.80 111.55 93.50 1.12 5.38 78.16 9.49 5.88 2.94 2.16 0.00 0.44 0.93 61 D H H 71.08 12.44 12.65 25.20 96.45 -166.50 -69.15 -29.97 45.25 0.82 53.93 18.52 16.07 13.08 41.27 10.16 0.07 0.29 0.55 62 E H H 139.84 1.44 18.90 19.27 92.55 59.85 -65.20 -37.36 19.11 0.09 80.80 1.64 2.01 13.61 56.98 25.59 0.08 0.04 0.05 63 A H H 44.69 7.45 16.49 25.32 92.24 50.75 -68.69 -33.10 17.14 0.06 82.80 0.98 1.22 13.38 59.49 24.79 0.07 0.03 0.04 64 C H H 9.52 20.42 11.10 31.39 96.56 46.49 -89.50 -12.23 20.01 0.08 79.91 1.69 1.51 15.24 60.78 20.65 0.04 0.04 0.05 65 R H H 115.30 6.95 18.05 26.31 91.78 83.90 -60.66 -41.97 1.32 0.00 98.68 0.44 0.14 0.56 98.53 0.34 0.00 0.00 0.00 66 K H H 129.18 1.67 22.86 22.74 91.87 50.14 -64.52 -40.60 0.36 0.00 99.64 0.06 0.02 0.21 99.54 0.17 0.00 0.00 0.00 67 E H H 34.18 14.90 18.58 33.81 91.96 49.61 -64.99 -41.71 0.20 0.00 99.80 0.04 0.01 0.11 99.69 0.15 0.00 0.00 0.00 68 I H H 23.03 17.79 17.92 35.70 91.70 50.38 -63.38 -42.42 0.11 0.00 99.89 0.02 0.01 0.06 99.88 0.04 0.00 0.00 0.00 69 Q H H 99.05 2.87 24.16 26.18 91.43 50.36 -63.57 -41.59 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 70 D H H 58.75 6.39 22.49 29.30 91.68 49.97 -64.48 -41.85 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 F H H 14.26 20.86 17.69 38.53 91.72 49.96 -63.78 -42.97 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 72 F H H 81.46 10.21 21.99 32.35 91.37 49.92 -63.66 -41.39 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 73 D H H 83.14 2.34 25.07 25.85 91.52 49.93 -64.28 -41.76 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 74 C H H 18.12 13.37 19.81 34.33 91.71 49.90 -64.02 -42.86 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 75 A H H 16.29 16.13 18.66 35.15 91.66 50.00 -63.43 -42.23 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 76 S H H 57.99 3.31 23.25 25.89 91.59 50.48 -63.95 -41.67 0.14 0.00 99.86 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 77 R H H 123.90 3.73 22.68 26.25 91.96 48.99 -65.03 -41.01 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 78 A H H 15.70 14.76 16.57 32.33 92.06 50.68 -64.04 -41.74 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 79 E H H 87.75 6.14 20.72 27.40 91.92 50.33 -64.27 -41.09 0.33 0.00 99.67 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 80 A H H 53.69 2.61 20.54 22.45 91.51 50.34 -64.37 -41.38 0.48 0.00 99.52 0.06 0.03 0.28 99.56 0.07 0.00 0.00 0.00 81 A H H 34.99 7.56 16.65 26.05 92.07 50.80 -64.80 -40.38 0.77 0.00 99.23 0.11 0.05 0.44 99.29 0.11 0.00 0.00 0.00 82 R H H 105.67 7.27 17.03 25.32 92.11 51.39 -64.75 -40.25 1.22 0.00 98.78 0.21 0.09 0.71 98.79 0.20 0.00 0.00 0.00 83 K H H 123.38 1.97 18.82 19.98 92.18 50.61 -65.03 -40.40 2.25 0.01 97.74 0.44 0.18 1.36 97.67 0.33 0.00 0.00 0.00 84 M H H 92.81 3.88 16.73 21.32 92.70 49.58 -66.67 -39.22 3.80 0.02 96.18 0.94 0.40 2.18 95.95 0.51 0.00 0.01 0.01 85 R H H 108.55 6.32 15.06 22.63 92.30 52.01 -65.30 -39.75 4.41 0.03 95.56 1.49 0.55 2.19 94.86 0.88 0.00 0.01 0.01 86 S H H 57.74 2.86 15.96 19.23 92.40 51.92 -65.33 -40.11 6.86 0.07 93.07 2.31 0.80 3.62 91.48 1.72 0.01 0.03 0.02 87 I H H 90.35 2.90 14.98 18.36 92.65 50.11 -66.87 -39.10 9.05 0.13 90.83 2.96 1.25 4.85 88.67 2.14 0.02 0.07 0.04 88 Q H H 86.73 5.74 12.31 19.67 93.30 51.35 -68.47 -35.69 13.15 0.19 86.66 5.21 2.08 6.22 83.77 2.52 0.02 0.09 0.08 89 E H H 122.04 3.29 12.61 17.25 93.59 55.58 -68.75 -33.60 22.07 0.26 77.67 6.65 3.15 12.52 73.47 3.92 0.03 0.13 0.12 90 N H H 125.68 1.18 12.99 13.90 95.98 51.01 -76.61 -19.14 35.48 0.37 64.15 9.19 5.13 21.77 59.39 4.12 0.04 0.17 0.20 91 L C H 107.77 3.48 10.38 15.33 100.13 56.90 -87.20 -6.96 56.28 0.67 43.05 15.90 15.42 25.87 38.23 3.85 0.06 0.24 0.44 92 G C C 49.33 2.66 12.77 16.65 110.72 -119.12 81.45 -161.05 86.73 0.86 12.40 39.61 18.49 29.35 5.88 5.75 0.00 0.38 0.53 93 E C C 136.35 3.37 12.13 17.07 109.50 -14.55 -87.19 113.55 85.71 1.82 12.46 57.65 14.09 13.81 4.16 8.31 0.00 0.96 1.03 94 L C C 102.52 6.21 10.77 18.54 110.28 94.27 -90.70 118.82 87.97 2.16 9.87 58.62 13.13 16.05 2.70 7.17 0.00 1.19 1.13 95 G C C 40.66 5.27 14.20 20.65 119.81 75.46 105.35 -171.35 91.82 2.84 5.34 53.59 21.40 16.69 0.99 4.60 0.00 1.56 1.17 96 S C C 80.29 4.23 15.46 21.09 115.03 -57.23 -96.45 131.63 93.98 3.83 2.19 66.23 22.65 5.01 0.56 1.72 0.00 1.82 2.02 97 L C C 38.77 16.64 9.41 25.52 117.26 -144.47 -90.90 136.45 97.45 2.39 0.16 82.34 14.85 0.19 0.10 0.05 0.00 0.78 1.69 98 P C C 64.39 3.48 18.18 22.07 115.44 -109.00 -67.25 152.91 99.73 0.16 0.11 99.48 0.30 0.04 0.07 0.01 0.00 0.04 0.06 99 P H H 80.08 8.44 12.38 22.21 91.66 -111.58 -57.76 -37.64 1.94 0.00 98.06 0.28 0.17 1.26 97.42 0.86 0.00 0.00 0.00 100 K H H 142.80 1.52 17.15 18.09 92.20 54.18 -64.50 -39.21 1.06 0.00 98.94 0.10 0.07 0.79 98.01 1.04 0.00 0.00 0.00 101 K H H 83.31 7.05 16.78 24.91 92.14 48.99 -65.82 -40.53 0.43 0.00 99.57 0.05 0.03 0.29 98.72 0.91 0.00 0.00 0.00 102 L H H 24.16 17.10 13.94 31.38 91.92 50.90 -63.12 -42.69 0.19 0.00 99.80 0.02 0.01 0.12 99.66 0.19 0.00 0.00 0.00 103 N H H 62.65 7.24 17.93 26.27 91.52 50.71 -64.00 -40.37 0.32 0.00 99.68 0.02 0.01 0.23 99.51 0.22 0.00 0.00 0.00 104 K H H 109.58 2.62 20.27 22.24 91.98 50.68 -64.67 -41.59 0.42 0.00 99.58 0.02 0.02 0.36 99.22 0.38 0.00 0.00 0.00 105 L H H 33.78 12.65 16.38 30.12 92.00 50.45 -63.87 -42.42 0.74 0.00 99.26 0.03 0.03 0.65 98.61 0.69 0.00 0.00 0.00 106 L H H 41.26 15.26 14.55 30.02 91.75 51.06 -65.91 -35.27 4.42 0.00 95.58 0.15 0.17 4.06 91.59 4.03 0.00 0.00 0.00 107 H H H 127.98 3.39 16.88 21.15 91.41 56.79 -67.12 -28.74 33.12 0.02 66.86 0.51 0.78 32.84 59.70 6.12 0.02 0.01 0.02 108 R H T 138.48 4.18 16.55 21.38 93.46 55.77 -75.14 -24.65 49.71 0.07 50.22 1.31 3.48 44.68 44.65 5.74 0.04 0.03 0.07 109 F C S 71.39 11.91 12.23 24.84 108.61 35.37 -121.36 70.37 94.72 0.78 4.49 27.93 62.64 4.03 3.63 0.78 0.00 0.19 0.80 110 P C C 63.28 9.53 12.05 22.86 111.00 147.11 -70.51 140.47 96.74 0.87 2.39 60.32 11.94 24.62 0.74 1.47 0.00 0.44 0.48 111 N C C 112.17 3.98 13.55 19.22 107.56 -112.19 -87.01 107.87 97.67 1.06 1.28 57.23 18.03 22.35 0.27 1.04 0.00 0.49 0.58 112 K C C 108.05 7.80 10.39 19.71 115.85 -158.65 -83.59 140.21 98.38 0.93 0.69 82.41 13.86 2.07 0.21 0.47 0.00 0.42 0.56 113 P C C 101.45 3.18 11.02 15.97 108.74 -113.46 -72.26 139.99 98.19 0.76 1.05 82.76 9.53 5.93 0.27 0.74 0.00 0.42 0.35 114 H C C 135.37 4.01 8.99 14.87 111.84 -143.40 -95.50 113.42 95.81 3.09 1.11 87.98 2.97 4.92 0.31 0.59 0.00 1.64 1.58 115 V C C 97.68 5.19 10.46 17.33 108.97 -157.05 -93.19 88.52 99.78 0.21 0.02 99.69 0.12 0.04 0.00 0.00 0.00 0.12 0.02