# 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 L C C 100.17 6.41 10.89 18.95 116.54 -151.25 -92.26 136.54 99.66 0.31 0.03 99.50 0.20 0.05 0.01 0.01 0.00 0.17 0.05 1 E C C 147.73 1.83 11.55 14.69 113.30 -125.00 -82.16 135.66 93.02 6.03 0.94 91.30 1.13 1.16 0.38 0.35 0.00 3.30 2.37 2 S C C 76.85 4.99 7.71 14.61 115.15 -135.01 -91.00 133.39 88.83 9.00 2.17 75.31 8.31 4.56 0.78 1.44 0.00 4.89 4.72 3 K C C 152.77 2.14 10.41 13.84 109.36 -158.55 -96.95 99.08 86.33 10.16 3.51 46.64 19.84 20.57 1.01 2.37 0.01 5.70 3.84 4 G C S 46.29 3.59 12.10 17.00 116.94 -61.95 101.91 -168.47 89.83 5.90 4.27 28.36 38.86 23.48 1.13 2.79 0.01 3.31 2.07 5 S C C 56.20 4.76 12.38 18.60 119.51 -64.09 -95.94 149.22 87.26 6.44 6.31 63.20 20.21 2.72 4.85 1.64 0.00 2.08 5.30 6 I H H 94.05 6.69 11.11 19.36 93.32 -118.76 -63.39 -32.05 30.76 1.03 68.22 5.69 5.26 18.60 35.69 33.54 0.19 0.57 0.47 7 A H G 62.26 4.45 12.37 18.34 92.63 59.25 -65.94 -32.93 25.26 0.89 73.85 3.49 3.28 16.35 37.01 38.87 0.16 0.56 0.28 8 R H G 153.71 2.40 13.34 16.54 93.66 54.05 -72.67 -23.28 23.24 1.14 75.63 3.92 3.60 14.02 38.28 38.92 0.20 0.70 0.37 9 A C T 58.44 5.85 10.21 17.64 96.24 59.79 -81.27 -5.84 51.95 1.22 46.82 4.34 7.40 38.04 27.37 20.84 0.41 0.64 0.96 10 G C T 51.32 3.00 13.30 17.30 98.41 -106.07 78.83 7.09 85.33 0.97 13.70 9.29 9.91 65.84 7.72 6.11 0.03 0.51 0.61 11 K C C 126.36 3.61 12.34 17.26 100.07 107.37 -84.79 -0.22 74.36 6.22 19.41 44.92 14.16 15.20 9.04 10.03 0.12 2.84 3.68 12 V C C 68.65 7.83 8.48 17.48 105.97 74.83 -91.95 76.79 67.60 9.99 22.41 47.46 11.39 7.84 11.35 11.22 0.09 4.46 6.19 13 R H G 168.67 2.31 10.97 14.72 97.89 91.84 -70.05 -30.46 42.99 3.71 53.30 13.26 8.46 23.46 7.37 43.76 0.07 2.30 1.31 14 N H G 135.58 0.81 11.67 12.02 97.62 43.46 -79.71 -1.55 48.19 1.53 50.28 8.27 8.58 31.24 5.48 44.82 0.03 0.90 0.66 15 Q C G 128.00 2.55 9.79 13.71 99.93 61.88 -93.01 -0.26 55.92 2.37 41.71 23.56 15.82 17.07 3.70 37.56 0.02 1.16 1.12 16 T C S 78.71 5.20 7.63 14.74 119.71 92.93 -101.28 134.08 97.12 1.82 1.06 46.98 49.05 1.20 0.50 0.39 0.00 0.59 1.28 17 P C C 90.84 3.15 9.83 14.70 113.31 -106.54 -68.40 149.59 93.75 1.54 4.71 66.04 17.32 10.38 1.90 2.72 0.00 0.83 0.80 18 K C C 168.94 1.08 9.97 11.99 111.79 -111.69 -80.44 130.12 88.28 6.89 4.83 68.07 12.38 6.89 2.13 2.72 0.00 3.44 4.38 19 V C C 94.29 5.06 6.12 12.97 121.08 -164.59 -105.12 141.20 86.80 9.07 4.13 76.44 7.67 1.64 2.65 1.53 0.00 4.58 5.50 20 E C C 152.24 0.92 9.85 11.13 114.65 -109.47 -74.15 143.82 90.43 4.33 5.24 85.11 3.79 1.93 2.77 1.99 0.00 2.61 1.81 21 K C C 165.05 1.48 7.42 10.72 112.61 -106.60 -74.67 137.27 85.95 3.37 10.67 68.22 11.52 6.02 4.62 6.03 0.00 1.99 1.59 22 Q C C 130.84 2.15 6.54 10.68 118.82 -140.27 -97.85 144.70 90.37 2.14 7.49 69.74 15.22 5.39 2.85 4.50 0.00 1.13 1.18 23 E C C 162.40 0.82 7.77 9.37 112.09 -118.01 -80.07 132.16 93.80 1.97 4.24 77.54 13.30 2.91 1.80 2.24 0.00 0.96 1.25 24 K C C 152.98 1.76 6.66 10.27 116.21 -119.36 -91.15 137.88 98.66 0.78 0.56 85.48 12.66 0.56 0.31 0.19 0.00 0.34 0.47 25 P C C 109.90 1.66 7.24 10.65 113.65 -106.74 -68.16 146.36 97.48 0.83 1.68 93.00 3.28 1.49 0.77 0.58 0.00 0.38 0.51 26 K C C 164.61 1.19 7.57 10.14 113.27 -119.99 -82.91 138.07 95.30 1.89 2.81 80.99 11.47 2.53 1.57 1.08 0.00 0.74 1.62 27 A C C 92.03 1.21 8.32 10.72 114.21 -123.78 -88.97 138.76 94.46 2.00 3.53 78.54 13.44 2.24 2.34 1.12 0.00 0.89 1.43 28 L C C 110.78 3.97 6.67 12.63 113.25 -118.35 -80.37 135.22 92.44 2.36 5.20 81.26 8.40 2.60 3.93 1.26 0.00 1.09 1.47 29 T C C 100.03 1.54 8.99 11.61 120.40 -167.07 -110.33 152.12 91.18 2.45 6.37 79.14 9.20 2.25 5.74 1.05 0.00 0.98 1.64 30 G H H 50.24 1.35 11.84 13.10 110.93 -5.89 41.68 -137.80 25.65 0.66 73.68 14.12 9.06 5.07 69.32 1.86 0.02 0.23 0.31 31 R H H 167.89 1.27 11.00 12.48 93.81 -14.00 -66.14 -34.16 5.52 0.09 94.39 2.15 1.04 2.66 92.39 1.66 0.01 0.05 0.03 32 A H H 57.08 2.93 10.63 15.13 92.43 54.29 -64.59 -39.64 2.44 0.08 97.48 0.95 0.40 1.21 95.93 1.43 0.01 0.05 0.01 33 R H H 138.92 2.00 12.87 15.42 92.11 51.29 -65.04 -39.78 1.00 0.03 98.97 0.34 0.15 0.50 98.20 0.77 0.00 0.02 0.00 34 K H H 120.96 1.76 13.87 15.66 92.12 50.68 -64.62 -40.97 0.86 0.03 99.10 0.23 0.11 0.50 98.63 0.51 0.00 0.02 0.00 35 R H H 129.27 2.42 13.77 16.80 92.38 50.30 -64.81 -40.80 0.99 0.03 98.98 0.20 0.10 0.65 98.43 0.60 0.00 0.02 0.00 36 A H H 54.84 3.09 13.40 17.60 92.20 51.01 -64.39 -40.78 1.73 0.02 98.25 0.26 0.13 1.22 97.46 0.89 0.00 0.01 0.00 37 L H H 94.90 2.17 13.98 16.47 92.46 50.47 -65.11 -40.42 6.05 0.05 93.90 0.68 0.43 4.81 92.64 1.37 0.02 0.03 0.02 38 Y H H 126.64 2.54 12.93 16.24 93.24 50.77 -66.50 -39.82 14.63 0.21 85.16 3.15 1.85 9.90 82.97 1.87 0.06 0.09 0.11 39 E H H 102.64 3.15 12.38 16.66 93.72 52.54 -67.64 -38.02 17.35 0.62 82.02 8.53 2.88 7.24 77.10 3.59 0.06 0.33 0.27 40 R H H 144.76 2.30 12.27 15.39 93.69 55.77 -66.93 -38.10 17.92 0.73 81.35 6.16 2.53 9.58 71.75 9.16 0.09 0.47 0.26 41 R H H 153.27 1.71 12.21 14.35 93.89 52.26 -69.92 -34.29 23.09 0.89 76.02 6.76 3.04 13.33 66.23 9.66 0.09 0.57 0.31 42 L H H 103.65 2.54 10.96 14.55 97.89 50.91 -78.57 -27.07 28.73 2.38 68.89 11.70 5.42 13.39 59.88 7.11 0.20 1.40 0.90 43 E H H 122.29 2.45 10.58 14.12 99.56 56.15 -77.33 -24.88 34.17 4.58 61.25 16.37 7.34 12.64 52.88 6.29 0.27 2.63 1.57 44 A H H 76.12 2.38 10.30 13.83 99.37 56.79 -81.68 -3.41 44.10 3.73 52.18 18.98 8.06 17.90 43.92 7.49 0.14 2.40 1.10 45 N C H 106.33 2.71 9.69 13.80 104.75 80.59 -87.78 18.51 50.92 5.27 43.81 27.29 9.33 15.18 35.60 7.61 0.11 3.47 1.42 46 F C C 142.79 2.57 9.36 13.42 107.65 69.31 -93.03 57.30 55.56 8.22 36.22 33.58 10.98 11.85 29.67 6.14 0.13 5.07 2.58 47 F C C 135.33 3.45 8.19 13.40 111.96 84.21 -94.14 116.74 67.37 6.21 26.42 43.68 12.60 10.70 22.08 4.96 0.05 3.70 2.22 48 E C C 142.88 1.85 9.13 12.30 110.82 -156.21 -90.92 116.93 77.24 2.85 19.91 36.16 16.49 24.96 14.25 5.42 0.02 1.56 1.13 49 T C T 104.70 1.84 8.03 11.24 108.97 44.27 -92.38 104.69 82.70 1.86 15.44 30.86 20.49 32.11 8.38 6.32 0.01 0.91 0.91 50 R C C 170.62 2.12 7.92 11.56 108.48 97.65 -89.84 97.43 81.59 3.07 15.34 43.83 19.40 18.76 6.35 8.62 0.01 1.63 1.40 51 K C C 158.80 1.45 9.02 11.53 111.24 -156.97 -91.31 123.16 80.44 6.36 13.20 51.90 15.73 12.81 5.14 8.05 0.01 4.02 2.34 52 M C C 122.95 3.86 7.83 13.67 115.49 -135.38 -94.78 131.25 81.03 8.91 10.06 62.34 10.95 7.46 4.18 5.85 0.00 6.16 3.06 53 K C C 147.54 2.23 10.09 13.92 116.28 -149.83 -98.87 132.55 85.45 9.72 4.83 71.76 8.53 4.73 2.22 2.55 0.00 6.97 3.25 54 M C C 125.74 4.22 8.33 14.59 113.88 -129.94 -83.56 136.85 88.53 9.02 2.46 71.91 12.44 3.35 1.16 1.33 0.00 5.31 4.49 55 N C C 91.95 4.17 8.81 14.85 112.15 -135.33 -96.90 118.38 96.52 2.57 0.91 83.00 12.12 1.29 0.34 0.54 0.00 1.45 1.26 56 P C T 107.31 2.49 8.68 13.04 95.03 -147.93 -65.58 -20.66 80.37 1.60 18.03 34.55 10.09 35.13 2.12 16.59 0.00 0.96 0.57 57 N C T 130.11 1.10 9.33 10.93 98.50 62.87 -84.87 0.84 78.68 2.03 19.29 28.87 12.96 36.94 2.32 17.01 0.00 1.11 0.80 58 F C C 129.12 4.48 6.88 13.14 106.80 92.06 -86.04 64.81 78.94 2.57 18.48 61.73 5.12 11.86 2.84 15.81 0.00 1.46 1.18 59 S C C 86.08 2.24 10.87 14.51 108.15 -153.67 -89.55 101.53 99.55 0.24 0.21 98.81 0.43 0.42 0.09 0.05 0.00 0.14 0.07