# 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 64.28 5.37 12.13 18.82 115.90 -136.05 -88.45 146.36 99.35 0.36 0.30 98.93 0.31 0.24 0.18 0.05 0.00 0.18 0.12 1 N C C 106.55 3.40 10.16 15.02 101.52 -131.33 -80.70 -2.37 64.50 2.57 32.94 57.91 2.04 5.30 28.88 3.28 0.00 1.10 1.49 2 A H H 75.31 2.46 9.29 13.06 95.81 80.80 -68.30 -33.66 40.74 2.32 56.94 24.82 7.18 9.42 42.32 13.92 0.04 1.28 1.03 3 S H H 73.36 2.31 10.07 13.39 95.02 56.71 -69.66 -31.30 34.76 2.90 62.34 21.61 5.24 8.21 42.65 19.45 0.03 1.81 1.00 4 R H H 145.48 2.87 9.75 14.02 94.65 58.29 -70.91 -30.11 32.73 3.23 64.04 18.81 5.40 9.05 44.36 19.17 0.06 2.06 1.10 5 L H H 113.42 2.89 9.75 13.98 95.34 56.96 -75.51 -24.18 43.62 4.78 51.60 26.14 7.04 11.61 39.34 10.95 0.11 2.79 2.03 6 V C C 111.71 2.00 10.11 12.88 99.54 53.83 -85.80 -15.30 68.56 4.44 27.00 45.19 10.45 12.61 23.72 3.64 0.02 2.40 1.98 7 T C C 96.94 2.42 9.88 13.56 106.38 71.19 -89.17 55.96 86.38 3.48 10.13 58.22 16.76 10.57 8.87 2.09 0.00 1.97 1.52 8 T C C 94.76 2.93 9.51 14.26 115.77 79.71 -95.14 130.10 96.16 2.93 0.91 69.40 25.92 1.02 0.66 0.29 0.00 1.64 1.07 9 P C C 88.67 4.87 8.71 15.48 113.87 -116.57 -68.90 146.43 93.69 3.11 3.20 83.95 6.16 3.68 1.65 1.35 0.00 2.08 1.14 10 Q C C 132.13 2.56 9.78 14.07 114.97 -136.68 -91.19 136.34 85.03 9.73 5.24 70.52 8.52 4.75 2.85 2.36 0.00 5.35 5.64 11 K C C 144.73 3.32 8.96 14.06 113.84 -124.70 -89.65 133.05 83.22 10.67 6.11 63.84 11.92 6.60 3.23 2.97 0.01 6.36 5.07 12 R C C 163.42 2.81 9.17 13.64 115.51 -153.87 -98.07 134.73 85.20 7.19 7.61 59.63 13.27 12.24 3.47 4.04 0.00 4.72 2.63 13 A C C 82.89 2.79 9.20 13.39 113.42 -126.29 -96.34 139.48 87.16 5.16 7.68 48.98 18.65 20.05 3.03 4.32 0.00 3.26 1.70 14 Y C C 172.69 2.59 9.92 13.80 113.87 -72.94 -93.46 131.83 84.94 6.90 8.16 41.41 21.49 23.14 3.24 4.40 0.02 3.91 2.40 15 G C C 46.41 4.25 11.90 17.51 119.63 21.65 151.08 168.72 80.45 11.75 7.80 42.04 22.87 16.76 4.30 3.38 0.03 7.26 3.36 16 F C C 123.27 6.36 10.59 18.38 120.23 -99.50 -102.48 138.90 69.24 20.38 10.38 48.91 11.89 7.32 6.90 3.96 0.08 12.56 8.38 17 S C C 62.86 5.79 12.46 19.74 120.08 -159.98 -105.25 144.27 67.47 17.92 14.61 47.23 11.48 8.21 9.77 5.28 0.06 12.74 5.24 18 F C C 125.78 6.88 11.49 19.51 103.76 -150.47 -86.39 15.86 53.42 16.25 30.33 30.74 12.55 11.67 18.36 11.10 0.40 10.67 4.51 19 S C C 68.98 5.19 12.47 18.87 104.34 92.67 -85.13 21.19 56.75 12.73 30.52 33.10 11.57 13.17 17.33 12.50 0.19 8.81 3.34 20 A C C 70.92 5.18 11.31 17.84 104.98 69.19 -90.73 22.30 60.27 11.27 28.47 30.43 13.91 17.46 14.75 12.56 0.30 6.87 3.72 21 Y C C 153.05 4.45 10.63 16.45 108.74 79.34 -90.77 105.30 74.37 9.09 16.54 31.46 17.70 26.63 8.79 6.81 0.18 4.85 3.56 22 G C C 51.23 3.55 12.04 16.83 112.86 13.68 93.79 65.32 89.55 6.84 3.61 44.22 24.54 21.67 1.08 2.32 0.00 3.59 2.57 23 S C C 65.65 4.84 10.10 16.61 119.28 -76.14 -100.64 138.47 92.93 6.35 0.72 69.57 21.09 2.05 0.29 0.43 0.00 2.84 3.74 24 P C C 99.31 3.78 10.24 15.59 104.42 -108.95 -69.56 88.89 95.94 2.53 1.53 44.75 24.31 27.13 0.28 1.24 0.00 1.41 0.88 25 T C C 112.83 1.58 10.67 13.12 107.42 18.74 -90.81 60.82 94.80 3.47 1.72 39.99 30.81 24.23 0.30 1.49 0.00 1.76 1.41 26 S C C 66.02 4.46 9.00 15.21 118.84 121.48 -96.78 144.41 94.39 3.90 1.71 64.48 25.62 4.01 0.55 1.16 0.00 1.68 2.49 27 P C C 104.35 2.73 10.28 14.54 109.36 -110.78 -69.81 142.70 91.00 2.85 6.14 54.75 15.99 20.00 1.44 4.87 0.00 1.61 1.35 28 S C C 82.05 3.14 9.37 14.21 109.42 -109.28 -84.88 134.81 86.33 4.91 8.76 49.10 17.01 20.32 2.39 6.30 0.00 2.65 2.22 29 S C C 80.27 3.46 9.50 14.60 110.35 -133.99 -90.08 115.71 83.27 6.36 10.36 57.15 14.84 11.11 3.74 6.60 0.01 3.53 3.03 30 S C C 82.91 2.66 9.94 14.09 108.81 -141.74 -90.73 93.81 84.99 5.85 9.16 62.30 12.32 9.98 4.02 5.30 0.00 3.53 2.55 31 A C C 84.37 2.74 9.16 13.45 105.13 -121.11 -86.49 31.99 82.73 6.91 10.36 55.21 13.19 14.10 4.29 6.12 0.01 4.38 2.69 32 S C C 83.96 2.69 9.88 13.96 107.86 73.37 -94.84 75.83 82.73 8.51 8.76 53.56 15.00 14.24 3.60 5.04 0.01 5.24 3.30 33 S C C 81.70 3.18 9.83 14.64 112.07 106.71 -96.80 117.89 85.38 8.44 6.18 51.69 24.63 9.34 2.74 3.31 0.01 4.60 3.68 34 T C C 90.95 3.54 9.98 15.29 118.04 -140.62 -97.90 136.31 89.90 5.59 4.51 58.42 27.00 4.61 2.62 1.86 0.01 2.85 2.64 35 P C C 92.56 4.31 10.69 16.57 110.46 -108.05 -69.72 144.11 83.15 3.17 13.68 53.51 12.91 16.97 8.28 5.06 0.01 1.76 1.49 36 G C C 46.83 4.42 10.98 16.71 109.91 -129.61 -78.55 146.92 73.26 3.87 22.87 45.08 11.71 16.93 15.31 6.96 0.04 2.01 1.95 37 A C C 77.06 3.56 11.42 16.14 101.18 17.49 -74.54 -20.09 55.21 4.73 40.06 32.43 10.80 13.42 28.46 10.10 0.14 2.57 2.07 38 F H H 140.15 3.60 11.09 15.82 98.01 56.48 -75.76 -22.45 42.45 4.16 53.40 22.57 8.66 13.42 37.79 13.24 0.27 2.54 1.51 39 G H H 43.92 4.68 11.28 17.30 98.77 59.25 -73.69 -22.47 35.75 2.69 61.55 19.25 6.51 11.44 43.41 16.65 0.14 1.76 0.84 40 Q H H 117.36 3.70 11.31 16.30 100.90 64.50 -80.03 -11.76 27.62 2.98 69.40 13.30 5.35 9.87 47.17 21.34 0.15 2.06 0.77 41 S H H 74.18 3.73 10.63 15.65 103.18 73.37 -79.10 -1.17 31.78 4.24 63.98 14.75 5.93 11.89 43.31 19.83 0.20 3.06 1.03 42 I H H 121.86 3.17 10.32 14.67 101.98 65.77 -83.47 -0.80 39.34 6.50 54.15 16.30 8.03 16.52 38.08 14.26 0.54 4.33 1.94 43 L C C 118.04 2.98 9.83 14.29 107.10 69.77 -91.73 70.88 55.74 8.35 35.91 27.27 13.18 17.45 27.09 6.69 0.57 4.39 3.37 44 S C C 78.01 3.32 9.98 14.85 114.53 83.54 -95.61 132.73 81.53 5.25 13.22 51.09 13.58 16.62 10.59 3.14 0.04 3.07 1.88 45 S C C 79.43 3.28 9.76 14.62 111.70 -150.38 -94.14 134.76 80.52 4.86 14.61 52.08 14.75 13.44 10.80 4.18 0.02 2.75 1.97 46 S C C 83.44 2.56 9.93 13.80 111.16 -127.63 -92.93 122.88 73.75 4.54 21.72 47.46 14.03 12.06 16.86 5.21 0.04 2.43 1.91 47 I C C 123.35 3.09 9.30 13.77 108.40 -151.61 -87.09 96.45 58.90 4.50 36.61 35.05 12.46 13.03 28.60 6.55 0.12 2.37 1.82 48 N C H 105.01 3.19 10.29 14.86 108.95 94.77 -84.93 91.51 51.21 2.72 46.07 31.58 9.92 11.87 36.73 7.24 0.07 1.46 1.13 49 R H H 159.46 2.78 10.80 14.81 100.09 68.29 -77.13 -18.60 39.57 2.25 58.18 22.49 7.81 11.58 45.77 10.14 0.08 1.31 0.83 50 G H H 46.70 3.24 11.61 15.99 100.21 57.67 -73.85 -30.56 39.92 2.54 57.55 23.64 7.01 11.47 45.36 10.00 0.08 1.49 0.96 51 L H H 104.97 3.94 10.78 16.02 99.53 58.22 -77.13 -21.30 38.27 3.27 58.47 23.36 7.44 9.78 46.97 9.19 0.07 1.91 1.28 52 N H H 100.78 3.56 11.65 16.46 101.40 63.95 -78.86 -10.26 42.82 3.81 53.36 30.48 6.90 7.04 46.33 5.47 0.03 2.34 1.41 53 K H H 135.41 2.82 12.09 15.99 101.89 66.23 -79.14 -10.73 43.41 4.34 52.26 31.99 6.53 6.22 46.86 4.23 0.02 3.06 1.10 54 S H H 70.61 3.70 11.81 16.67 103.61 64.23 -81.95 4.69 41.39 5.89 52.72 30.73 6.08 5.93 47.63 3.91 0.02 4.53 1.17 55 I H H 108.68 3.72 11.91 16.78 101.08 57.27 -76.48 -27.15 36.76 6.79 56.45 26.77 6.93 5.14 51.16 3.58 0.03 5.01 1.37 56 S H H 67.89 3.50 12.26 16.74 102.39 62.14 -75.47 -21.60 38.85 6.56 54.59 29.00 5.51 5.92 49.80 3.52 0.02 4.90 1.32 57 A H H 68.50 3.73 11.78 16.67 97.93 59.24 -74.48 -28.85 30.28 3.85 65.87 19.39 5.85 7.01 59.23 4.79 0.04 2.84 0.85 58 S H H 68.19 3.21 12.32 16.49 99.58 60.91 -75.33 -27.87 28.74 3.03 68.23 16.32 5.85 8.40 60.02 6.40 0.06 2.23 0.72 59 N H H 94.88 3.40 11.57 16.03 98.50 59.76 -74.68 -23.61 32.04 2.63 65.34 18.01 5.69 9.98 56.72 6.92 0.06 1.87 0.73 60 L H H 107.83 3.44 9.93 14.71 99.56 65.86 -77.65 -16.15 33.26 2.46 64.29 18.55 5.64 10.69 55.28 7.26 0.07 1.60 0.91 61 R H H 155.98 2.65 10.00 14.00 103.54 63.90 -82.40 18.22 42.46 2.54 55.00 24.95 6.46 12.69 47.93 5.30 0.06 1.43 1.18 62 R C H 168.83 2.04 10.34 13.49 105.58 82.86 -84.68 44.91 58.57 2.50 38.94 27.97 10.06 21.45 33.11 4.87 0.05 1.29 1.20 63 S C C 83.49 2.18 9.98 13.33 107.79 63.94 -92.72 73.89 74.10 2.94 22.96 38.62 11.91 23.33 19.23 4.04 0.02 1.48 1.38 64 L C C 114.60 3.70 8.17 13.67 113.18 92.99 -97.34 121.64 83.21 5.40 11.39 48.85 21.29 13.06 8.35 3.03 0.02 2.46 2.94 65 N C C 106.32 2.73 10.41 14.64 115.92 -156.74 -101.56 127.79 93.68 2.62 3.71 73.19 14.33 5.96 2.22 1.53 0.00 1.38 1.39 66 V C C 107.91 3.83 8.81 14.21 101.66 -149.84 -82.31 4.17 77.20 2.27 20.52 37.45 14.33 26.17 8.79 10.89 0.02 1.16 1.18 67 E C C 141.28 1.82 10.86 13.71 101.94 97.68 -82.29 -11.81 72.86 2.71 24.43 29.66 16.44 28.00 10.56 12.60 0.04 1.41 1.28 68 D C C 100.74 3.21 11.00 15.58 108.47 56.41 -91.20 101.86 71.19 4.31 24.49 43.50 14.68 13.24 10.85 13.48 0.02 2.43 1.80 69 S C C 57.42 6.71 9.37 17.58 116.15 83.00 -98.01 136.81 73.56 9.79 16.65 56.35 8.78 7.77 8.69 8.17 0.02 5.85 4.38 70 I C C 116.64 4.44 10.95 16.82 97.54 -137.56 -77.27 -16.43 71.53 12.49 15.99 27.08 19.75 26.51 7.63 7.24 0.37 6.92 4.51 71 L C T 120.03 2.70 11.29 15.12 100.70 58.98 -90.63 -1.03 71.54 12.90 15.56 24.65 21.28 27.47 6.92 7.32 0.57 6.72 5.08 72 Q C C 103.25 4.75 10.03 16.61 115.84 106.46 -90.45 128.69 89.32 5.68 5.00 53.44 32.14 4.05 2.53 2.21 0.04 2.76 2.83 73 P C T 99.84 3.57 11.16 16.06 108.03 -112.46 -68.30 138.51 80.80 2.91 16.29 29.13 12.44 40.21 5.86 9.32 0.04 1.57 1.42 74 G C T 48.29 4.43 11.84 17.50 110.66 18.15 -52.05 7.40 78.05 2.71 19.24 27.28 12.50 39.50 6.25 11.67 0.03 1.43 1.35 75 A C C 70.36 5.43 10.75 17.54 102.98 -57.44 -76.26 -9.69 69.39 4.17 26.44 33.53 13.74 22.98 7.24 18.37 0.03 2.24 1.87 76 F C C 135.39 5.07 10.30 16.83 107.00 48.08 -95.38 61.60 68.48 9.90 21.61 31.74 15.54 22.75 7.10 13.18 0.17 5.24 4.27 77 S C C 70.25 4.51 10.71 16.85 116.21 118.82 -95.43 135.45 76.24 9.71 14.05 49.23 16.17 10.81 6.17 7.70 0.05 5.04 4.84 78 A C C 82.19 3.49 9.75 14.87 109.00 -138.85 -87.55 100.89 83.42 6.34 10.25 51.49 20.62 11.63 4.90 5.06 0.02 3.28 3.00 79 N C C 107.99 3.20 9.66 14.54 113.49 93.48 -90.51 131.58 83.32 5.22 11.46 50.51 21.57 11.49 5.66 5.50 0.03 2.51 2.74 80 S C C 84.66 2.70 9.11 13.41 103.75 -151.38 -84.87 8.23 74.33 4.63 21.04 44.23 16.19 14.35 11.11 9.44 0.05 2.26 2.39 81 S C C 80.70 2.39 9.14 12.99 105.74 102.86 -86.11 47.30 67.01 4.29 28.71 40.18 14.04 13.14 15.77 12.51 0.05 2.18 2.14 82 M C C 126.62 2.97 8.80 13.32 104.34 91.12 -84.77 27.87 55.73 4.58 39.69 36.26 9.82 10.24 19.94 19.28 0.03 2.77 1.66 83 R C C 158.47 2.76 9.35 13.77 105.48 105.43 -84.53 52.85 51.38 5.74 42.89 31.75 9.13 11.43 20.63 21.48 0.05 3.72 1.80 84 L C C 123.43 2.57 9.42 13.45 106.61 56.11 -85.65 71.22 54.34 6.68 38.98 32.62 8.84 13.74 17.84 20.39 0.06 4.28 2.22 85 L C C 125.11 2.56 8.66 12.69 110.17 70.81 -92.13 114.58 64.17 7.82 28.02 31.08 12.71 21.71 14.12 12.48 0.23 4.25 3.41 86 G C C 58.99 1.77 9.72 12.59 111.81 40.10 -96.12 98.03 83.45 5.82 10.73 38.27 21.11 25.29 4.76 5.13 0.03 3.05 2.37 87 G C C 50.31 2.79 8.89 13.43 121.77 45.17 -124.97 171.48 91.58 5.44 2.97 57.62 27.61 6.40 1.08 1.88 0.00 2.74 2.67 88 P C C 120.33 1.32 9.55 11.69 106.83 -87.05 -83.46 47.85 88.93 4.66 6.41 49.41 18.93 20.89 1.31 5.07 0.01 2.57 1.81 89 G C C 54.69 2.71 8.48 12.80 115.01 -124.40 -110.12 167.51 86.76 5.26 7.98 43.51 21.65 22.22 1.47 6.37 0.01 3.01 1.77 90 S C C 86.84 2.11 8.25 11.96 114.37 -109.71 -94.21 137.12 78.95 10.42 10.63 50.46 17.03 11.83 2.42 8.18 0.02 6.82 3.24 91 H C C 150.38 2.03 7.37 11.24 114.46 -142.20 -95.47 130.51 74.60 15.57 9.83 50.23 14.96 9.68 2.94 6.84 0.05 10.56 4.74 92 K C C 153.56 1.96 7.25 11.10 115.33 -148.12 -93.83 132.03 81.03 13.34 5.63 72.32 3.39 5.20 2.23 3.06 0.00 9.46 4.33 93 K C C 153.75 2.37 9.83 13.97 113.22 -133.65 -87.60 132.55 98.97 0.91 0.13 98.64 0.32 0.19 0.05 0.03 0.00 0.63 0.14