# 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 V C C 92.90 5.76 10.98 18.58 116.52 -156.59 -100.72 126.10 98.82 1.07 0.11 98.61 0.36 0.12 0.06 0.02 0.00 0.63 0.19 1 H C C 141.61 2.43 9.73 13.85 117.28 -160.57 -101.47 137.01 81.05 6.76 12.18 70.72 3.68 6.09 10.46 2.07 0.01 3.99 2.97 2 G C C 49.84 2.47 10.57 14.26 114.56 21.17 88.97 -164.02 62.41 2.75 34.85 29.59 17.57 16.87 26.64 6.70 0.09 1.30 1.24 3 S H H 78.55 2.49 10.03 13.59 102.86 -44.14 -77.80 -20.56 38.48 2.22 59.30 18.37 9.59 12.69 42.93 14.15 0.16 1.18 0.92 4 L H H 103.94 3.99 9.38 14.84 97.22 57.77 -74.03 -20.94 25.69 2.33 71.99 9.62 5.73 11.37 49.37 21.43 0.23 1.54 0.69 5 A H H 65.01 4.15 10.05 15.89 95.41 67.75 -69.40 -28.58 25.65 2.13 72.22 9.66 4.98 11.43 49.77 21.87 0.17 1.51 0.60 6 R H H 167.27 1.74 11.61 13.85 98.34 56.61 -83.50 -5.03 36.19 2.82 61.00 11.05 7.50 18.34 42.12 17.62 0.52 1.61 1.24 7 A C T 69.74 3.74 9.25 14.67 101.25 78.30 -80.62 -4.77 60.95 1.73 37.32 7.70 10.26 41.20 27.32 11.06 0.33 0.88 1.26 8 G C T 54.53 2.62 11.90 15.58 101.97 -82.70 75.56 4.62 76.34 1.45 22.22 13.48 12.95 49.36 13.74 8.77 0.06 0.78 0.87 9 K C C 138.68 2.73 11.04 15.14 103.57 104.75 -88.69 21.90 72.80 7.36 19.83 43.97 13.75 14.69 10.77 9.01 0.08 3.64 4.09 10 V C C 81.46 6.28 7.49 15.26 111.26 81.69 -95.27 110.20 73.88 12.20 13.92 49.66 13.73 9.25 8.44 5.54 0.06 5.28 8.04 11 R C T 180.75 1.55 9.92 12.71 110.42 -129.34 -79.32 127.35 81.84 6.07 12.09 17.31 11.74 52.53 5.25 6.48 0.04 3.55 3.08 12 G C T 64.58 0.87 10.76 11.58 99.15 9.84 78.04 2.35 89.38 1.56 9.06 11.42 16.19 61.76 2.66 6.31 0.01 1.00 0.67 13 Q C C 129.62 2.30 8.79 12.77 111.09 104.24 -92.71 104.97 89.70 3.43 6.88 55.13 24.66 9.56 2.21 4.59 0.00 1.40 2.46 14 T C C 94.46 3.27 8.09 13.38 117.32 -135.45 -99.16 134.09 95.70 2.78 1.52 74.60 19.85 0.91 1.20 0.42 0.00 1.11 1.91 15 P C C 89.93 3.71 8.98 14.65 113.76 -107.23 -68.85 149.14 91.59 1.80 6.62 75.60 8.94 6.69 4.97 1.93 0.00 1.07 0.80 16 K C C 166.54 1.15 10.15 12.31 113.31 -114.99 -83.36 132.80 87.22 5.45 7.33 73.24 8.09 4.96 5.56 1.94 0.00 2.54 3.67 17 V C C 96.39 4.68 6.46 12.99 117.42 -154.97 -101.41 136.24 85.34 3.73 10.93 77.85 5.55 1.85 9.26 1.72 0.00 1.90 1.87 18 A C C 79.69 1.70 9.21 11.93 113.56 -115.01 -73.77 147.92 83.58 1.60 14.82 78.22 3.46 2.39 12.15 2.28 0.00 0.96 0.53 19 K C C 164.23 1.26 8.07 10.51 107.68 -113.56 -75.76 125.13 62.22 1.42 36.35 48.41 7.92 6.44 28.94 6.97 0.01 0.81 0.51 20 Q C C 134.31 1.78 7.55 10.80 109.39 -128.78 -88.00 115.49 58.24 1.51 40.25 44.85 7.43 6.56 31.66 8.09 0.01 0.87 0.54 21 E C C 138.61 2.10 7.79 11.39 108.78 -132.29 -85.03 112.87 55.32 1.48 43.21 43.63 6.40 5.99 34.04 8.56 0.01 0.84 0.54 22 K C C 147.86 2.17 7.62 11.37 110.70 -147.72 -89.20 122.59 59.72 1.13 39.16 46.45 7.04 6.60 33.00 5.83 0.00 0.59 0.48 23 K C C 151.95 1.81 7.79 11.06 110.82 -150.95 -90.52 122.26 66.85 1.14 32.02 51.71 7.67 7.29 27.47 4.75 0.00 0.57 0.54 24 K C C 152.31 1.95 7.74 11.32 111.44 -152.78 -89.70 127.72 73.74 1.34 24.91 55.25 10.18 7.68 21.98 3.58 0.00 0.64 0.68 25 K C C 151.88 1.82 8.29 11.67 114.09 -144.76 -91.95 133.92 80.85 1.53 17.63 61.43 11.42 7.08 15.75 2.79 0.00 0.74 0.79 26 K C C 146.86 2.48 8.07 12.39 112.35 -134.61 -87.45 129.38 83.67 2.11 14.22 64.93 11.32 6.15 13.26 2.20 0.00 1.03 1.11 27 T C C 94.76 2.24 8.40 12.18 115.05 -172.97 -104.52 150.78 82.25 2.09 15.65 63.10 12.54 5.32 15.10 1.84 0.00 0.96 1.15 28 G H H 50.80 1.62 11.03 12.97 107.17 -3.37 -14.70 -91.92 45.69 1.11 53.19 27.41 12.20 7.15 49.47 2.79 0.01 0.44 0.53 29 R H H 162.34 1.38 10.92 12.50 95.09 21.84 -68.84 -34.99 19.02 0.60 80.37 12.37 3.67 5.24 74.89 3.27 0.02 0.31 0.22 30 A H H 56.01 3.40 10.02 15.10 93.89 55.88 -65.37 -38.93 11.67 0.76 87.57 8.23 1.99 3.27 82.29 3.47 0.03 0.50 0.21 31 K H H 123.61 2.16 11.86 14.79 93.17 52.36 -65.43 -39.30 5.49 0.58 93.92 3.27 1.10 2.07 89.85 3.12 0.03 0.44 0.13 32 R H H 145.40 1.39 12.73 13.97 92.65 51.04 -65.65 -40.04 4.75 0.62 94.63 2.18 0.85 2.27 91.15 2.88 0.05 0.48 0.14 33 R H H 136.79 2.00 12.09 14.71 92.99 50.79 -66.67 -39.55 5.90 0.66 93.44 2.40 0.88 3.12 89.82 3.02 0.07 0.51 0.17 34 M H H 98.02 3.29 10.95 15.61 94.51 51.42 -67.96 -37.79 10.05 0.53 89.42 3.78 1.39 5.60 85.41 3.17 0.09 0.35 0.21 35 Q H H 117.77 1.72 11.78 13.94 94.50 53.15 -67.29 -37.74 19.31 0.59 80.10 5.37 2.31 12.26 76.04 3.28 0.12 0.33 0.29 36 Y H H 154.48 1.47 11.18 12.87 95.65 50.26 -73.66 -33.13 35.66 0.95 63.38 9.44 5.59 21.84 58.44 3.59 0.16 0.43 0.51 37 N H H 93.92 3.03 10.08 14.48 100.05 55.20 -87.93 -3.20 46.03 1.38 52.59 20.25 6.86 20.37 45.02 6.05 0.07 0.68 0.70 38 R H H 149.55 2.85 10.00 14.35 96.88 79.29 -70.60 -20.81 37.37 1.51 61.12 14.61 5.27 16.83 38.98 22.78 0.06 0.90 0.57 39 R H H 159.03 1.87 10.48 13.36 96.21 68.68 -72.95 -25.03 36.90 2.14 60.96 11.40 5.50 18.56 37.36 25.02 0.12 1.38 0.66 40 F H H 137.70 2.62 9.90 13.80 100.53 53.09 -86.13 -10.23 33.68 5.79 60.52 12.29 6.02 14.74 37.50 23.59 0.45 3.90 1.51 41 V C H 99.72 3.39 9.20 14.21 103.31 73.32 -85.81 -5.32 45.46 9.54 44.99 15.88 9.21 20.60 31.89 12.78 0.61 6.37 2.66 42 N C T 118.91 1.88 10.44 13.28 102.63 54.67 -90.33 22.38 63.56 7.21 29.22 23.55 11.05 29.11 20.13 9.16 0.17 5.11 1.73 43 V C C 105.56 2.77 9.22 13.66 108.94 96.78 -93.97 100.78 72.29 10.32 17.39 44.54 19.26 8.53 13.05 4.58 0.09 5.75 4.20 44 V C C 101.81 2.89 8.61 13.37 116.51 104.80 -103.27 127.61 86.94 8.24 4.82 64.40 20.16 2.14 3.65 1.45 0.00 4.76 3.43 45 P C C 98.51 2.73 9.05 13.67 113.58 -117.34 -70.48 145.33 86.38 4.89 8.72 71.34 7.84 6.90 4.27 4.48 0.00 3.45 1.72 46 T C C 104.50 2.24 7.97 12.01 114.71 -156.73 -102.69 134.39 83.76 5.39 10.85 55.39 14.30 13.64 4.20 6.80 0.01 2.81 2.86 47 F C T 171.80 1.19 7.85 10.11 110.66 -112.08 -89.41 120.07 84.48 4.61 10.91 31.25 20.96 33.14 2.94 7.27 0.01 2.39 2.04 48 G C T 58.93 1.48 9.13 11.62 109.86 10.49 87.17 -2.24 88.81 3.76 7.43 30.76 25.97 32.70 1.54 5.63 0.00 2.03 1.37 49 K C C 159.30 1.51 9.36 12.10 111.11 -54.55 -91.53 126.11 86.56 7.19 6.25 54.40 22.39 9.65 1.64 4.60 0.01 3.88 3.44 50 K C C 145.87 2.65 8.18 12.85 115.25 -143.85 -90.87 133.53 86.89 9.59 3.52 68.10 12.10 6.01 1.15 2.48 0.00 5.64 4.52 51 K C C 149.80 2.30 9.03 13.17 115.23 -145.83 -97.46 133.29 88.90 9.14 1.96 68.98 15.29 3.72 0.76 1.27 0.00 4.37 5.61 52 G C C 39.60 4.02 8.93 14.60 125.94 -99.91 -88.82 172.70 95.42 2.63 1.95 68.06 23.49 3.54 0.56 1.45 0.00 1.23 1.67 53 P C T 116.52 1.40 9.92 11.95 96.00 -71.60 -67.50 -20.75 85.21 1.11 13.68 16.80 11.73 55.54 1.38 13.41 0.00 0.65 0.47 54 N C T 124.62 1.52 8.72 11.21 100.54 54.60 -87.50 6.59 84.43 1.51 14.06 19.07 10.53 54.32 1.88 12.66 0.01 0.88 0.65 55 A C C 69.29 4.89 6.84 13.40 104.67 102.30 -81.47 50.35 83.97 2.81 13.22 71.07 4.32 8.59 2.43 10.69 0.00 1.47 1.43 56 N C C 122.87 2.08 11.44 14.66 104.92 82.93 -91.50 68.98 99.48 0.28 0.24 98.62 0.46 0.52 0.09 0.06 0.00 0.16 0.08