REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bo4_1_E DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.394 174.600 -0.344 0.000 1.055 2 S CA 0.000 58.068 58.200 -0.221 0.000 1.107 2 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 3 L N 2.227 123.397 121.223 -0.088 0.000 2.289 3 L HA 0.810 5.150 4.340 -0.000 0.000 0.285 3 L C -1.170 175.607 176.870 -0.155 0.000 1.049 3 L CA -0.165 54.636 54.840 -0.064 0.000 0.804 3 L CB 1.161 43.338 42.059 0.198 0.000 1.195 3 L HN 0.502 nan 8.230 nan 0.000 0.428 4 V N 5.822 125.614 119.914 -0.203 0.000 2.417 4 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 4 V C -0.467 175.380 176.094 -0.413 0.000 1.024 4 V CA -0.657 61.454 62.300 -0.314 0.000 0.861 4 V CB 1.831 33.471 31.823 -0.305 0.000 0.985 4 V HN 0.550 nan 8.190 nan 0.000 0.436 5 V N 5.276 124.843 119.914 -0.577 0.000 2.448 5 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 5 V C -0.822 174.986 176.094 -0.477 0.000 1.025 5 V CA -0.470 61.551 62.300 -0.466 0.000 0.859 5 V CB 1.604 33.081 31.823 -0.577 0.000 0.988 5 V HN 0.710 nan 8.190 nan 0.000 0.431 6 F N 5.795 125.769 119.950 0.040 0.000 2.366 6 F HA 0.472 4.999 4.527 -0.000 0.000 0.366 6 F C -2.305 173.620 175.800 0.208 0.000 1.096 6 F CA -2.452 55.610 58.000 0.104 0.000 1.060 6 F CB 1.767 40.786 39.000 0.032 0.000 1.282 6 F HN 0.318 nan 8.300 nan 0.000 0.450 7 P HA 0.181 nan 4.420 nan 0.000 0.276 7 P C -0.918 176.568 177.300 0.310 0.000 1.235 7 P CA -0.049 63.205 63.100 0.257 0.000 0.772 7 P CB 0.409 32.225 31.700 0.194 0.000 0.871 8 F N 0.907 120.936 119.950 0.132 0.000 2.629 8 F HA 0.782 5.308 4.527 -0.000 0.000 0.316 8 F C -0.673 175.195 175.800 0.113 0.000 1.081 8 F CA -1.129 56.941 58.000 0.117 0.000 0.954 8 F CB 1.637 40.691 39.000 0.089 0.000 1.337 8 F HN -0.020 nan 8.300 nan 0.000 0.474 9 K N -0.219 120.367 120.400 0.309 0.000 2.246 9 K HA 0.205 4.525 4.320 -0.000 0.000 0.239 9 K C 0.446 177.282 176.600 0.393 0.000 1.089 9 K CA -0.816 55.605 56.287 0.223 0.000 0.892 9 K CB 0.940 33.529 32.500 0.147 0.000 1.334 9 K HN 0.895 nan 8.250 nan 0.000 0.507 10 H N 2.063 121.235 119.070 0.170 0.000 2.421 10 H HA -0.089 4.467 4.556 -0.000 0.000 0.298 10 H C -0.034 175.328 175.328 0.057 0.000 1.087 10 H CA 1.159 57.289 56.048 0.137 0.000 1.330 10 H CB 0.038 29.846 29.762 0.076 0.000 1.388 10 H HN 0.512 nan 8.280 nan 0.000 0.526 11 E N 2.079 122.339 120.200 0.099 0.000 2.975 11 E HA -0.248 4.102 4.350 -0.000 0.000 0.269 11 E C -0.645 175.924 176.600 -0.052 0.000 0.905 11 E CA 0.439 56.749 56.400 -0.150 0.000 0.967 11 E CB -0.381 29.300 29.700 -0.032 0.000 0.925 11 E HN 0.536 nan 8.360 nan 0.000 0.507 12 H N 2.213 121.301 119.070 0.030 0.000 2.387 12 H HA -0.106 4.450 4.556 -0.000 0.000 0.315 12 H C -1.687 173.635 175.328 -0.011 0.000 0.955 12 H CA 0.740 56.789 56.048 0.003 0.000 1.046 12 H CB -0.983 28.775 29.762 -0.006 0.000 1.615 12 H HN 0.539 nan 8.280 nan 0.000 0.346 13 P HA -0.157 nan 4.420 nan 0.000 0.216 13 P C 1.218 178.495 177.300 -0.039 0.000 1.150 13 P CA 1.386 64.480 63.100 -0.010 0.000 0.837 13 P CB 0.364 32.066 31.700 0.004 0.000 0.786 14 E N -0.048 120.150 120.200 -0.003 0.000 2.118 14 E HA -0.111 4.238 4.350 -0.000 0.000 0.195 14 E C 2.116 178.696 176.600 -0.035 0.000 0.992 14 E CA 0.895 57.282 56.400 -0.021 0.000 0.804 14 E CB -1.396 28.296 29.700 -0.014 0.000 0.741 14 E HN 0.097 nan 8.360 nan 0.000 0.458 15 V N 0.813 120.709 119.914 -0.030 0.000 2.379 15 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 15 V C 2.134 178.160 176.094 -0.113 0.000 1.044 15 V CA 1.352 63.616 62.300 -0.061 0.000 1.036 15 V CB -0.457 31.329 31.823 -0.062 0.000 0.664 15 V HN 0.219 nan 8.190 nan 0.000 0.453 16 L N -0.071 121.061 121.223 -0.152 0.000 2.012 16 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 16 L C 2.184 178.838 176.870 -0.359 0.000 1.073 16 L CA 1.954 56.609 54.840 -0.309 0.000 0.748 16 L CB -0.639 41.228 42.059 -0.320 0.000 0.891 16 L HN 0.199 nan 8.230 nan 0.000 0.431 17 L N -1.054 120.033 121.223 -0.227 0.000 2.093 17 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 17 L C 2.708 179.488 176.870 -0.150 0.000 1.085 17 L CA 1.409 56.136 54.840 -0.189 0.000 0.755 17 L CB -0.888 41.098 42.059 -0.121 0.000 0.904 17 L HN 0.527 nan 8.230 nan 0.000 0.435 18 H N 0.633 119.590 119.070 -0.187 0.000 2.321 18 H HA -0.148 4.407 4.556 -0.000 0.000 0.300 18 H C 1.860 177.091 175.328 -0.163 0.000 1.087 18 H CA 1.787 57.746 56.048 -0.147 0.000 1.319 18 H CB 0.261 29.948 29.762 -0.124 0.000 1.379 18 H HN 0.334 nan 8.280 nan 0.000 0.501 19 N N 0.452 118.991 118.700 -0.269 0.000 2.166 19 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 19 N C 2.208 177.447 175.510 -0.452 0.000 1.019 19 N CA 0.956 53.773 53.050 -0.389 0.000 0.856 19 N CB -0.436 37.572 38.487 -0.798 0.000 0.993 19 N HN 0.175 nan 8.380 nan 0.000 0.426 20 V N 1.374 120.961 119.914 -0.545 0.000 2.407 20 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 20 V C 2.316 178.355 176.094 -0.092 0.000 1.055 20 V CA 1.434 63.584 62.300 -0.249 0.000 1.049 20 V CB -0.320 31.363 31.823 -0.234 0.000 0.662 20 V HN 0.269 nan 8.190 nan 0.000 0.455 21 R N -0.657 119.747 120.500 -0.160 0.000 2.092 21 R HA -0.084 4.255 4.340 -0.000 0.000 0.231 21 R C 2.245 178.468 176.300 -0.128 0.000 1.119 21 R CA 1.167 57.187 56.100 -0.134 0.000 0.970 21 R CB -0.431 29.773 30.300 -0.160 0.000 0.864 21 R HN 0.393 nan 8.270 nan 0.000 0.440 22 V N 1.035 120.841 119.914 -0.181 0.000 2.261 22 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 22 V C 2.455 178.542 176.094 -0.013 0.000 1.047 22 V CA 2.089 64.297 62.300 -0.152 0.000 1.015 22 V CB -0.714 30.965 31.823 -0.239 0.000 0.642 22 V HN 0.405 nan 8.190 nan 0.000 0.446 23 A N -0.067 122.848 122.820 0.157 0.000 1.902 23 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 23 A C 2.401 180.021 177.584 0.061 0.000 1.181 23 A CA 2.148 54.280 52.037 0.158 0.000 0.623 23 A CB -0.850 18.340 19.000 0.317 0.000 0.818 23 A HN 0.593 nan 8.150 nan 0.000 0.443 24 A N -0.485 122.363 122.820 0.047 0.000 1.972 24 A HA 0.217 4.537 4.320 -0.000 0.000 0.219 24 A C 2.305 179.893 177.584 0.006 0.000 1.169 24 A CA 1.866 53.913 52.037 0.016 0.000 0.635 24 A CB -0.690 18.313 19.000 0.006 0.000 0.810 24 A HN 1.070 nan 8.150 nan 0.000 0.446 25 A N -1.836 120.982 122.820 -0.004 0.000 2.178 25 A HA 0.081 4.400 4.320 -0.000 0.000 0.211 25 A C 1.120 178.695 177.584 -0.016 0.000 1.157 25 A CA -0.009 52.015 52.037 -0.021 0.000 0.780 25 A CB -0.498 18.473 19.000 -0.049 0.000 0.828 25 A HN 0.604 nan 8.150 nan 0.000 0.476 26 H N 1.218 120.237 119.070 -0.085 0.000 2.803 26 H HA 0.126 4.682 4.556 -0.000 0.000 0.330 26 H C -1.640 173.637 175.328 -0.085 0.000 1.057 26 H CA -1.334 54.658 56.048 -0.094 0.000 1.458 26 H CB 1.336 31.025 29.762 -0.121 0.000 1.470 26 H HN 0.100 nan 8.280 nan 0.000 0.560 27 P HA -0.078 nan 4.420 nan 0.000 0.225 27 P C 0.778 178.095 177.300 0.027 0.000 1.148 27 P CA 1.059 64.118 63.100 -0.069 0.000 0.779 27 P CB 0.248 31.868 31.700 -0.133 0.000 0.780 28 R N -0.732 119.876 120.500 0.181 0.000 2.334 28 R HA 0.188 4.528 4.340 -0.000 0.000 0.216 28 R C 0.168 176.249 176.300 -0.365 0.000 0.905 28 R CA -0.007 56.076 56.100 -0.027 0.000 1.064 28 R CB 0.346 30.713 30.300 0.112 0.000 1.046 28 R HN 0.064 nan 8.270 nan 0.000 0.508 29 V N 2.008 121.775 119.914 -0.246 0.000 2.406 29 V HA 0.074 4.193 4.120 -0.000 0.000 0.272 29 V C 0.561 176.426 176.094 -0.380 0.000 1.043 29 V CA -0.346 61.736 62.300 -0.363 0.000 0.915 29 V CB 1.234 32.938 31.823 -0.199 0.000 0.988 29 V HN 0.257 nan 8.190 nan 0.000 0.466 30 H N 2.805 121.605 119.070 -0.451 0.000 2.648 30 H HA 0.381 4.936 4.556 -0.000 0.000 0.265 30 H C 0.533 175.583 175.328 -0.464 0.000 0.961 30 H CA 0.193 55.871 56.048 -0.618 0.000 1.185 30 H CB 0.873 29.832 29.762 -1.339 0.000 1.449 30 H HN 0.748 nan 8.280 nan 0.000 0.523 31 E N 0.215 120.257 120.200 -0.264 0.000 2.378 31 E HA 0.389 4.739 4.350 -0.000 0.000 0.283 31 E C -1.785 174.803 176.600 -0.020 0.000 0.979 31 E CA -0.431 55.958 56.400 -0.019 0.000 0.795 31 E CB 2.020 31.866 29.700 0.242 0.000 1.221 31 E HN -0.158 nan 8.360 nan 0.000 0.428 32 V N 3.788 123.720 119.914 0.030 0.000 2.555 32 V HA 0.595 4.715 4.120 -0.000 0.000 0.302 32 V C -0.811 175.291 176.094 0.014 0.000 1.038 32 V CA -0.828 61.487 62.300 0.025 0.000 0.887 32 V CB 1.509 33.384 31.823 0.086 0.000 0.991 32 V HN 0.599 nan 8.190 nan 0.000 0.434 33 L N 5.271 126.475 121.223 -0.032 0.000 2.409 33 L HA 0.737 5.077 4.340 -0.000 0.000 0.272 33 L C -0.725 176.150 176.870 0.008 0.000 0.980 33 L CA 0.136 54.914 54.840 -0.104 0.000 0.826 33 L CB 1.458 43.353 42.059 -0.273 0.000 1.268 33 L HN 0.770 nan 8.230 nan 0.000 0.407 34 C N 5.796 125.128 119.300 0.053 0.000 2.329 34 C HA 0.678 5.138 4.460 -0.000 0.000 0.329 34 C C -0.216 174.921 174.990 0.245 0.000 1.275 34 C CA -0.957 58.201 59.018 0.232 0.000 1.726 34 C CB 0.669 28.508 27.740 0.164 0.000 2.291 34 C HN 0.546 nan 8.230 nan 0.000 0.514 35 I N 3.167 123.887 120.570 0.250 0.000 2.389 35 I HA 0.572 4.742 4.170 -0.000 0.000 0.288 35 I C 0.555 176.455 176.117 -0.362 0.000 0.999 35 I CA 0.399 61.722 61.300 0.038 0.000 1.129 35 I CB 1.061 39.090 38.000 0.049 0.000 1.288 35 I HN 0.893 nan 8.210 nan 0.000 0.444 36 G N 3.740 112.244 108.800 -0.493 0.000 2.537 36 G HA2 0.362 4.321 3.960 -0.000 0.000 0.308 36 G HA3 0.362 4.321 3.960 -0.000 0.000 0.308 36 G C -0.201 174.584 174.900 -0.192 0.000 1.237 36 G CA -0.355 44.257 45.100 -0.814 0.000 0.968 36 G HN 0.585 nan 8.290 nan 0.000 0.481 37 Y N 0.093 120.241 120.300 -0.254 0.000 2.220 37 Y HA 0.140 4.690 4.550 -0.000 0.000 0.291 37 Y C 1.263 177.091 175.900 -0.120 0.000 1.129 37 Y CA 1.718 59.730 58.100 -0.147 0.000 1.161 37 Y CB 0.408 38.787 38.460 -0.135 0.000 0.997 37 Y HN 0.623 nan 8.280 nan 0.000 0.522 38 E N -0.323 119.792 120.200 -0.142 0.000 2.429 38 E HA 0.243 4.592 4.350 -0.000 0.000 0.276 38 E C -1.077 175.348 176.600 -0.292 0.000 0.953 38 E CA -1.176 55.073 56.400 -0.251 0.000 0.787 38 E CB 1.157 30.786 29.700 -0.118 0.000 1.307 38 E HN 0.039 nan 8.360 nan 0.000 0.458 39 R N 1.687 121.921 120.500 -0.442 0.000 3.710 39 R HA 0.074 4.414 4.340 -0.000 0.000 0.201 39 R C -0.736 175.451 176.300 -0.189 0.000 1.641 39 R CA -0.007 55.777 56.100 -0.526 0.000 1.390 39 R CB -0.512 29.474 30.300 -0.523 0.000 1.341 39 R HN 0.462 nan 8.270 nan 0.000 0.728 40 D N 0.120 120.467 120.400 -0.087 0.000 2.539 40 D HA -0.007 4.633 4.640 -0.000 0.000 0.276 40 D C 0.603 176.872 176.300 -0.052 0.000 1.206 40 D CA -0.473 53.453 54.000 -0.124 0.000 1.081 40 D CB 0.511 41.123 40.800 -0.313 0.000 1.142 40 D HN 0.194 nan 8.370 nan 0.000 0.595 41 Q N -1.092 118.644 119.800 -0.107 0.000 2.181 41 Q HA -0.109 4.230 4.340 -0.000 0.000 0.205 41 Q C 1.818 177.863 176.000 0.076 0.000 0.980 41 Q CA 1.928 57.751 55.803 0.033 0.000 0.862 41 Q CB -0.273 28.541 28.738 0.126 0.000 0.905 41 Q HN 0.559 nan 8.270 nan 0.000 0.429 42 T N -0.081 114.519 114.554 0.077 0.000 2.737 42 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 42 T C 1.379 176.106 174.700 0.046 0.000 1.038 42 T CA 1.110 63.266 62.100 0.094 0.000 1.144 42 T CB -0.493 68.497 68.868 0.203 0.000 0.866 42 T HN 0.326 nan 8.240 nan 0.000 0.434 43 Y N 2.136 122.506 120.300 0.117 0.000 2.102 43 Y HA -0.231 4.318 4.550 -0.000 0.000 0.280 43 Y C 2.329 178.251 175.900 0.035 0.000 1.178 43 Y CA 1.669 59.872 58.100 0.171 0.000 1.146 43 Y CB -0.253 38.347 38.460 0.234 0.000 0.968 43 Y HN 0.327 nan 8.280 nan 0.000 0.504 44 E N -0.697 119.673 120.200 0.283 0.000 2.152 44 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 44 E C 2.344 178.978 176.600 0.058 0.000 0.983 44 E CA 0.688 57.193 56.400 0.175 0.000 0.818 44 E CB -0.277 29.495 29.700 0.120 0.000 0.758 44 E HN 0.561 nan 8.360 nan 0.000 0.467 45 A N 0.979 123.810 122.820 0.018 0.000 1.933 45 A HA -0.135 4.184 4.320 -0.000 0.000 0.218 45 A C 2.460 179.997 177.584 -0.079 0.000 1.175 45 A CA 1.114 53.136 52.037 -0.026 0.000 0.628 45 A CB -0.476 18.506 19.000 -0.030 0.000 0.814 45 A HN 0.104 nan 8.150 nan 0.000 0.444 46 V N -0.314 119.509 119.914 -0.151 0.000 2.323 46 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 46 V C 2.470 178.477 176.094 -0.144 0.000 1.041 46 V CA 2.169 64.344 62.300 -0.207 0.000 1.025 46 V CB -0.775 30.824 31.823 -0.372 0.000 0.656 46 V HN 0.717 nan 8.190 nan 0.000 0.451 47 E N 0.510 120.636 120.200 -0.123 0.000 2.118 47 E HA -0.264 4.085 4.350 -0.000 0.000 0.195 47 E C 2.381 178.970 176.600 -0.018 0.000 0.992 47 E CA 1.645 58.013 56.400 -0.054 0.000 0.804 47 E CB -0.186 29.535 29.700 0.035 0.000 0.741 47 E HN 0.445 nan 8.360 nan 0.000 0.458 48 R N -0.763 119.729 120.500 -0.013 0.000 2.090 48 R HA 0.028 4.368 4.340 -0.000 0.000 0.228 48 R C 2.001 178.291 176.300 -0.017 0.000 1.110 48 R CA 1.124 57.221 56.100 -0.005 0.000 0.973 48 R CB -0.165 30.136 30.300 0.002 0.000 0.869 48 R HN 0.224 nan 8.270 nan 0.000 0.440 49 A N 0.116 122.914 122.820 -0.036 0.000 2.123 49 A HA 0.133 4.453 4.320 -0.000 0.000 0.214 49 A C 2.077 179.638 177.584 -0.039 0.000 1.152 49 A CA 0.958 52.971 52.037 -0.040 0.000 0.728 49 A CB -0.193 18.772 19.000 -0.058 0.000 0.814 49 A HN 0.464 nan 8.150 nan 0.000 0.464 50 A N 0.942 123.737 122.820 -0.042 0.000 1.898 50 A HA 0.024 4.343 4.320 -0.000 0.000 0.216 50 A C 0.136 177.713 177.584 -0.012 0.000 1.181 50 A CA 1.611 53.628 52.037 -0.034 0.000 0.620 50 A CB -1.457 17.520 19.000 -0.039 0.000 0.819 50 A HN 0.431 nan 8.150 nan 0.000 0.442 51 P HA -0.165 nan 4.420 nan 0.000 0.216 51 P C 1.480 178.782 177.300 0.002 0.000 1.150 51 P CA 1.285 64.388 63.100 0.006 0.000 0.837 51 P CB 0.031 31.736 31.700 0.008 0.000 0.786 52 E N -0.289 119.908 120.200 -0.005 0.000 2.112 52 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 52 E C 1.931 178.525 176.600 -0.009 0.000 0.979 52 E CA 0.757 57.153 56.400 -0.006 0.000 0.814 52 E CB -0.381 29.313 29.700 -0.010 0.000 0.762 52 E HN 0.214 nan 8.360 nan 0.000 0.460 53 I N 0.605 121.166 120.570 -0.015 0.000 2.315 53 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 53 I C 2.430 178.543 176.117 -0.006 0.000 1.117 53 I CA 0.706 61.995 61.300 -0.018 0.000 1.404 53 I CB -0.123 37.858 38.000 -0.030 0.000 1.071 53 I HN -0.028 nan 8.210 nan 0.000 0.419 54 S N 0.201 115.903 115.700 0.003 0.000 2.383 54 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 54 S C 2.096 176.706 174.600 0.016 0.000 1.026 54 S CA 1.122 59.332 58.200 0.017 0.000 0.981 54 S CB -0.267 62.949 63.200 0.026 0.000 0.818 54 S HN 0.372 nan 8.310 nan 0.000 0.472 55 R N 0.946 121.452 120.500 0.011 0.000 2.073 55 R HA 0.044 4.384 4.340 -0.000 0.000 0.229 55 R C 2.352 178.656 176.300 0.006 0.000 1.120 55 R CA 1.146 57.252 56.100 0.010 0.000 0.967 55 R CB -0.376 29.929 30.300 0.008 0.000 0.862 55 R HN 0.380 nan 8.270 nan 0.000 0.436 56 A N 0.053 122.873 122.820 0.000 0.000 1.929 56 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 56 A C 2.059 179.640 177.584 -0.004 0.000 1.176 56 A CA 1.879 53.914 52.037 -0.004 0.000 0.628 56 A CB -0.529 18.465 19.000 -0.010 0.000 0.816 56 A HN 0.586 nan 8.150 nan 0.000 0.444 57 T N -5.070 109.483 114.554 -0.002 0.000 3.037 57 T HA 0.394 4.744 4.350 -0.000 0.000 0.251 57 T C 1.469 176.175 174.700 0.009 0.000 1.079 57 T CA 1.132 63.231 62.100 -0.002 0.000 1.067 57 T CB 0.106 68.972 68.868 -0.004 0.000 0.948 57 T HN 1.667 nan 8.240 nan 0.000 0.496 58 G N 1.106 109.915 108.800 0.015 0.000 2.155 58 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 58 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 58 G C 0.134 175.057 174.900 0.038 0.000 0.983 58 G CA 0.398 45.514 45.100 0.026 0.000 0.676 58 G HN 0.729 nan 8.290 nan 0.000 0.528 59 T N 2.700 117.275 114.554 0.034 0.000 2.772 59 T HA 0.545 4.895 4.350 -0.000 0.000 0.288 59 T C -2.445 172.286 174.700 0.052 0.000 0.994 59 T CA -1.021 61.103 62.100 0.041 0.000 0.951 59 T CB 2.415 71.296 68.868 0.021 0.000 0.933 59 T HN 0.049 nan 8.240 nan 0.000 0.447 60 P HA 0.189 nan 4.420 nan 0.000 0.264 60 P C -0.879 176.470 177.300 0.082 0.000 1.193 60 P CA -0.223 62.935 63.100 0.098 0.000 0.763 60 P CB 0.428 32.223 31.700 0.159 0.000 0.810 61 V N 3.811 123.758 119.914 0.055 0.000 2.448 61 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 61 V C 0.160 176.265 176.094 0.018 0.000 1.025 61 V CA -0.168 62.150 62.300 0.030 0.000 0.859 61 V CB 1.719 33.544 31.823 0.003 0.000 0.988 61 V HN 0.468 nan 8.190 nan 0.000 0.431 62 S N 3.025 118.723 115.700 -0.004 0.000 2.566 62 S HA 0.826 5.296 4.470 -0.000 0.000 0.298 62 S C -0.704 173.844 174.600 -0.087 0.000 1.083 62 S CA -0.644 57.536 58.200 -0.033 0.000 0.978 62 S CB 2.243 65.417 63.200 -0.042 0.000 1.073 62 S HN 0.462 nan 8.310 nan 0.000 0.491 63 V N 2.829 122.681 119.914 -0.103 0.000 2.588 63 V HA 0.673 4.793 4.120 -0.000 0.000 0.304 63 V C -0.495 175.557 176.094 -0.070 0.000 1.042 63 V CA -0.847 61.349 62.300 -0.173 0.000 0.877 63 V CB 1.664 33.229 31.823 -0.430 0.000 0.996 63 V HN 0.707 nan 8.190 nan 0.000 0.425 64 R N 2.713 123.215 120.500 0.003 0.000 2.795 64 R HA 0.617 4.957 4.340 -0.000 0.000 0.275 64 R C -1.406 175.032 176.300 0.229 0.000 0.981 64 R CA -1.060 55.116 56.100 0.127 0.000 0.917 64 R CB 2.227 32.547 30.300 0.034 0.000 1.202 64 R HN 0.439 nan 8.270 nan 0.000 0.469 65 L N 1.731 123.082 121.223 0.213 0.000 2.395 65 L HA 0.242 4.582 4.340 -0.000 0.000 0.269 65 L C 0.745 177.636 176.870 0.034 0.000 1.133 65 L CA 0.072 54.974 54.840 0.103 0.000 0.812 65 L CB 0.608 42.651 42.059 -0.026 0.000 1.125 65 L HN 0.504 nan 8.230 nan 0.000 0.452 66 Q N 1.945 121.737 119.800 -0.013 0.000 2.274 66 Q HA 0.038 4.378 4.340 -0.000 0.000 0.280 66 Q C -0.553 175.444 176.000 -0.005 0.000 1.047 66 Q CA 0.003 55.813 55.803 0.011 0.000 0.907 66 Q CB 0.615 29.382 28.738 0.048 0.000 1.171 66 Q HN 0.516 nan 8.270 nan 0.000 0.381 67 E N 2.509 122.733 120.200 0.041 0.000 2.242 67 E HA 0.176 4.525 4.350 -0.000 0.000 0.275 67 E C -1.146 175.485 176.600 0.053 0.000 1.002 67 E CA -0.706 55.718 56.400 0.040 0.000 0.841 67 E CB 0.914 30.656 29.700 0.071 0.000 1.109 67 E HN 0.518 nan 8.360 nan 0.000 0.394 68 R N 4.397 124.920 120.500 0.038 0.000 2.441 68 R HA 0.170 4.509 4.340 -0.000 0.000 0.300 68 R C -0.218 176.108 176.300 0.044 0.000 1.284 68 R CA 0.449 56.575 56.100 0.043 0.000 1.069 68 R CB -0.566 29.753 30.300 0.032 0.000 1.087 68 R HN 0.723 nan 8.270 nan 0.000 0.519 69 L N 2.015 123.270 121.223 0.054 0.000 2.515 69 L HA 0.403 4.743 4.340 -0.000 0.000 0.223 69 L C 1.288 178.173 176.870 0.024 0.000 1.079 69 L CA 0.267 55.141 54.840 0.056 0.000 0.857 69 L CB 0.352 42.474 42.059 0.106 0.000 1.050 69 L HN 0.711 nan 8.230 nan 0.000 0.476 70 G N -0.734 108.075 108.800 0.016 0.000 2.938 70 G HA2 0.406 4.366 3.960 -0.000 0.000 0.258 70 G HA3 0.406 4.366 3.960 -0.000 0.000 0.258 70 G C 0.422 175.318 174.900 -0.007 0.000 1.356 70 G CA 0.566 45.664 45.100 -0.003 0.000 1.052 70 G HN 0.059 nan 8.290 nan 0.000 0.550 71 T N -2.134 112.411 114.554 -0.015 0.000 3.058 71 T HA 0.422 4.771 4.350 -0.000 0.000 0.278 71 T C 0.797 175.486 174.700 -0.019 0.000 0.974 71 T CA -0.222 61.869 62.100 -0.014 0.000 0.893 71 T CB -0.318 68.541 68.868 -0.015 0.000 1.138 71 T HN 0.197 nan 8.240 nan 0.000 0.529 72 L N 0.311 121.519 121.223 -0.026 0.000 2.805 72 L HA 0.583 4.923 4.340 -0.000 0.000 0.242 72 L C 0.882 177.729 176.870 -0.039 0.000 1.180 72 L CA -1.771 53.051 54.840 -0.029 0.000 1.001 72 L CB 0.343 42.383 42.059 -0.032 0.000 1.864 72 L HN 0.002 nan 8.230 nan 0.000 0.551 73 R N 1.847 122.318 120.500 -0.049 0.000 2.585 73 R HA 0.053 4.393 4.340 -0.000 0.000 0.275 73 R C -2.251 173.987 176.300 -0.104 0.000 1.018 73 R CA -1.106 54.950 56.100 -0.074 0.000 1.072 73 R CB 0.342 30.593 30.300 -0.082 0.000 0.953 73 R HN 0.182 nan 8.270 nan 0.000 0.419 74 P HA 0.117 nan 4.420 nan 0.000 0.268 74 P C -0.692 176.479 177.300 -0.215 0.000 1.485 74 P CA 0.081 63.124 63.100 -0.095 0.000 1.102 74 P CB 1.085 32.788 31.700 0.005 0.000 1.501 75 G N 2.738 111.388 108.800 -0.249 0.000 3.291 75 G HA2 0.156 4.115 3.960 -0.000 0.000 0.173 75 G HA3 0.156 4.115 3.960 -0.000 0.000 0.173 75 G C 0.732 175.411 174.900 -0.369 0.000 1.099 75 G CA -0.296 44.562 45.100 -0.403 0.000 0.794 75 G HN 0.232 nan 8.290 nan 0.000 0.651 76 K N -0.206 119.860 120.400 -0.556 0.000 2.097 76 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 76 K C 2.370 178.833 176.600 -0.227 0.000 1.049 76 K CA 1.666 57.708 56.287 -0.407 0.000 0.933 76 K CB -0.766 31.421 32.500 -0.522 0.000 0.717 76 K HN 0.387 nan 8.250 nan 0.000 0.442 77 G N 1.231 109.897 108.800 -0.223 0.000 2.476 77 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.218 77 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.218 77 G C 1.102 175.966 174.900 -0.061 0.000 1.164 77 G CA 1.198 46.201 45.100 -0.162 0.000 0.768 77 G HN 0.326 nan 8.290 nan 0.000 0.560 78 D N 0.492 120.863 120.400 -0.048 0.000 2.117 78 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 78 D C 2.664 178.996 176.300 0.054 0.000 0.987 78 D CA 1.256 55.269 54.000 0.021 0.000 0.829 78 D CB -0.724 40.091 40.800 0.025 0.000 0.961 78 D HN 0.298 nan 8.370 nan 0.000 0.460 79 G N 0.390 109.201 108.800 0.019 0.000 2.433 79 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.216 79 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.216 79 G C 1.683 176.661 174.900 0.131 0.000 1.186 79 G CA 0.629 45.761 45.100 0.052 0.000 0.779 79 G HN 0.213 nan 8.290 nan 0.000 0.543 80 M N 0.237 119.899 119.600 0.103 0.000 2.132 80 M HA -0.018 4.462 4.480 -0.000 0.000 0.263 80 M C 2.362 178.852 176.300 0.317 0.000 1.065 80 M CA 1.237 56.649 55.300 0.186 0.000 1.122 80 M CB -0.347 32.197 32.600 -0.092 0.000 1.365 80 M HN 0.262 nan 8.290 nan 0.000 0.411 81 N N -0.673 118.184 118.700 0.260 0.000 2.309 81 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 81 N C 1.434 177.138 175.510 0.324 0.000 1.018 81 N CA 1.391 54.652 53.050 0.352 0.000 0.876 81 N CB 0.005 38.674 38.487 0.304 0.000 0.972 81 N HN 0.263 nan 8.380 nan 0.000 0.434 82 T N 0.370 115.067 114.554 0.238 0.000 2.746 82 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 82 T C 2.050 176.868 174.700 0.197 0.000 1.039 82 T CA 1.193 63.410 62.100 0.195 0.000 1.142 82 T CB -0.265 68.690 68.868 0.146 0.000 0.866 82 T HN 0.320 nan 8.240 nan 0.000 0.444 83 A N 1.164 124.125 122.820 0.235 0.000 1.933 83 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 83 A C 2.162 179.898 177.584 0.253 0.000 1.175 83 A CA 1.065 53.238 52.037 0.227 0.000 0.628 83 A CB -0.713 18.434 19.000 0.245 0.000 0.814 83 A HN 0.326 nan 8.150 nan 0.000 0.444 84 L N -0.246 121.144 121.223 0.279 0.000 2.046 84 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 84 L C 2.522 179.329 176.870 -0.104 0.000 1.077 84 L CA 2.103 57.059 54.840 0.192 0.000 0.747 84 L CB -0.976 41.229 42.059 0.243 0.000 0.896 84 L HN 0.498 nan 8.230 nan 0.000 0.432 85 R N -1.799 118.513 120.500 -0.313 0.000 2.083 85 R HA -0.259 4.081 4.340 -0.000 0.000 0.237 85 R C 2.444 178.678 176.300 -0.112 0.000 1.137 85 R CA 1.811 57.626 56.100 -0.475 0.000 0.951 85 R CB -0.514 29.663 30.300 -0.205 0.000 0.851 85 R HN 0.357 nan 8.270 nan 0.000 0.434 86 Y N 0.221 120.499 120.300 -0.036 0.000 2.114 86 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 86 Y C 1.979 177.919 175.900 0.068 0.000 1.143 86 Y CA 2.048 60.165 58.100 0.028 0.000 1.135 86 Y CB -0.593 37.912 38.460 0.074 0.000 0.980 86 Y HN 0.132 nan 8.280 nan 0.000 0.499 87 F N 0.515 120.541 119.950 0.126 0.000 2.091 87 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 87 F C 1.785 177.530 175.800 -0.092 0.000 1.103 87 F CA 1.993 60.026 58.000 0.054 0.000 1.228 87 F CB -0.714 38.325 39.000 0.066 0.000 0.984 87 F HN 0.100 nan 8.300 nan 0.000 0.477 88 L N -0.747 120.336 121.223 -0.234 0.000 2.209 88 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 88 L C 2.057 178.748 176.870 -0.297 0.000 1.094 88 L CA 1.128 55.753 54.840 -0.360 0.000 0.790 88 L CB -0.449 41.462 42.059 -0.246 0.000 0.932 88 L HN 0.114 nan 8.230 nan 0.000 0.447 89 E N -0.520 119.524 120.200 -0.259 0.000 2.389 89 E HA -0.007 4.342 4.350 -0.000 0.000 0.199 89 E C 0.966 177.404 176.600 -0.271 0.000 0.978 89 E CA 0.250 56.522 56.400 -0.215 0.000 0.912 89 E CB 0.512 30.127 29.700 -0.141 0.000 0.907 89 E HN 0.448 nan 8.360 nan 0.000 0.494 90 E N 0.510 120.467 120.200 -0.404 0.000 2.601 90 E HA 0.047 4.397 4.350 -0.000 0.000 0.219 90 E C 0.269 176.556 176.600 -0.521 0.000 0.964 90 E CA 0.153 56.252 56.400 -0.502 0.000 1.050 90 E CB 1.322 30.550 29.700 -0.786 0.000 1.068 90 E HN 0.064 nan 8.360 nan 0.000 0.496 91 T N -2.357 111.899 114.554 -0.497 0.000 2.838 91 T HA 0.369 4.719 4.350 -0.000 0.000 0.292 91 T C -0.109 174.223 174.700 -0.614 0.000 1.113 91 T CA -0.683 61.062 62.100 -0.592 0.000 1.008 91 T CB 2.139 70.700 68.868 -0.511 0.000 1.259 91 T HN -0.209 nan 8.240 nan 0.000 0.520 92 Q N -0.221 119.101 119.800 -0.796 0.000 2.135 92 Q HA 0.378 4.718 4.340 -0.000 0.000 0.231 92 Q C -1.209 174.590 176.000 -0.335 0.000 0.817 92 Q CA -0.518 54.969 55.803 -0.527 0.000 1.073 92 Q CB 0.200 28.686 28.738 -0.420 0.000 1.176 92 Q HN 0.707 nan 8.270 nan 0.000 0.478 93 W N 0.267 121.567 121.300 -0.001 0.000 2.158 93 W HA 0.132 4.791 4.660 -0.000 0.000 0.339 93 W C 1.150 177.774 176.519 0.175 0.000 1.294 93 W CA -0.385 57.063 57.345 0.172 0.000 1.231 93 W CB 0.759 30.425 29.460 0.343 0.000 1.143 93 W HN 0.195 nan 8.180 nan 0.000 0.571 94 E N 0.797 121.272 120.200 0.458 0.000 2.299 94 E HA 0.011 4.360 4.350 -0.000 0.000 0.193 94 E C 0.255 177.091 176.600 0.394 0.000 0.998 94 E CA 0.680 57.267 56.400 0.312 0.000 0.851 94 E CB 0.250 30.078 29.700 0.213 0.000 0.795 94 E HN 0.359 nan 8.360 nan 0.000 0.492 95 R N 0.220 120.981 120.500 0.434 0.000 2.771 95 R HA 0.574 4.914 4.340 -0.000 0.000 0.274 95 R C -1.109 175.163 176.300 -0.047 0.000 0.987 95 R CA -0.597 55.622 56.100 0.200 0.000 0.908 95 R CB 2.440 32.781 30.300 0.068 0.000 1.213 95 R HN -0.058 nan 8.270 nan 0.000 0.468 96 I N 1.374 121.684 120.570 -0.433 0.000 2.533 96 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 96 I C -0.861 174.989 176.117 -0.444 0.000 1.056 96 I CA -0.607 60.289 61.300 -0.673 0.000 1.057 96 I CB 1.446 38.590 38.000 -1.428 0.000 1.240 96 I HN 0.642 nan 8.210 nan 0.000 0.423 97 H N 6.605 125.404 119.070 -0.453 0.000 2.479 97 H HA 0.416 4.972 4.556 -0.000 0.000 0.335 97 H C -1.463 173.446 175.328 -0.699 0.000 1.142 97 H CA -0.401 55.392 56.048 -0.426 0.000 1.234 97 H CB 1.877 31.484 29.762 -0.258 0.000 1.503 97 H HN 0.386 nan 8.280 nan 0.000 0.510 98 F N 1.576 121.278 119.950 -0.414 0.000 2.495 98 F HA 0.322 4.849 4.527 -0.000 0.000 0.327 98 F C -0.793 174.593 175.800 -0.690 0.000 1.103 98 F CA -0.632 57.136 58.000 -0.386 0.000 0.949 98 F CB 1.275 40.186 39.000 -0.149 0.000 1.142 98 F HN 0.399 nan 8.300 nan 0.000 0.457 99 Y N 0.568 120.872 120.300 0.008 0.000 2.421 99 Y HA 0.312 4.862 4.550 -0.000 0.000 0.339 99 Y C -0.648 175.343 175.900 0.152 0.000 0.996 99 Y CA -1.855 56.273 58.100 0.047 0.000 1.046 99 Y CB 1.334 39.681 38.460 -0.189 0.000 1.226 99 Y HN 0.539 nan 8.280 nan 0.000 0.445 100 D N 0.607 121.208 120.400 0.334 0.000 2.362 100 D HA 0.377 5.016 4.640 -0.000 0.000 0.242 100 D C 0.817 177.286 176.300 0.281 0.000 1.132 100 D CA -0.276 53.904 54.000 0.300 0.000 0.907 100 D CB 1.288 42.239 40.800 0.252 0.000 1.195 100 D HN 0.597 nan 8.370 nan 0.000 0.429 101 A N 1.333 124.314 122.820 0.269 0.000 2.066 101 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 101 A C 1.397 179.002 177.584 0.035 0.000 1.157 101 A CA 1.159 53.285 52.037 0.147 0.000 0.670 101 A CB -0.542 18.576 19.000 0.196 0.000 0.804 101 A HN 0.700 nan 8.150 nan 0.000 0.453 102 D N -0.445 120.014 120.400 0.098 0.000 2.340 102 D HA 0.085 4.724 4.640 -0.000 0.000 0.220 102 D C 0.354 176.660 176.300 0.010 0.000 1.039 102 D CA -0.256 53.791 54.000 0.077 0.000 0.866 102 D CB -0.636 40.255 40.800 0.151 0.000 0.913 102 D HN 0.426 nan 8.370 nan 0.000 0.523 103 I N 1.698 122.265 120.570 -0.004 0.000 2.598 103 I HA -0.032 4.138 4.170 -0.000 0.000 0.284 103 I C 1.370 177.450 176.117 -0.062 0.000 1.140 103 I CA 0.324 61.611 61.300 -0.023 0.000 1.420 103 I CB 1.060 39.061 38.000 0.002 0.000 1.387 103 I HN 0.002 nan 8.210 nan 0.000 0.553 104 T N -0.465 114.055 114.554 -0.055 0.000 3.060 104 T HA 0.031 4.381 4.350 -0.000 0.000 0.249 104 T C 1.166 175.845 174.700 -0.035 0.000 1.079 104 T CA -0.033 62.023 62.100 -0.073 0.000 1.013 104 T CB 0.263 69.067 68.868 -0.107 0.000 0.975 104 T HN 0.486 nan 8.240 nan 0.000 0.518 105 S N 0.540 116.255 115.700 0.025 0.000 2.602 105 S HA 0.407 4.876 4.470 -0.000 0.000 0.240 105 S C -0.128 174.424 174.600 -0.080 0.000 0.992 105 S CA -0.899 57.356 58.200 0.091 0.000 0.971 105 S CB -0.593 62.771 63.200 0.273 0.000 0.855 105 S HN 0.488 nan 8.310 nan 0.000 0.481 106 F N 2.216 121.808 119.950 -0.598 0.000 2.607 106 F HA 0.480 5.007 4.527 -0.000 0.000 0.374 106 F C 0.760 176.113 175.800 -0.744 0.000 1.104 106 F CA 0.376 57.654 58.000 -1.204 0.000 1.296 106 F CB 0.209 38.722 39.000 -0.812 0.000 1.085 106 F HN 0.176 nan 8.300 nan 0.000 0.584 107 G N 5.660 113.555 108.800 -1.509 0.000 2.684 107 G HA2 0.417 4.377 3.960 -0.000 0.000 0.290 107 G HA3 0.417 4.377 3.960 -0.000 0.000 0.290 107 G C -2.621 171.801 174.900 -0.797 0.000 1.425 107 G CA -0.959 43.656 45.100 -0.807 0.000 0.822 107 G HN 0.306 nan 8.290 nan 0.000 0.482 108 P HA -0.064 nan 4.420 nan 0.000 0.220 108 P C 0.733 178.057 177.300 0.041 0.000 1.148 108 P CA 0.921 63.946 63.100 -0.125 0.000 0.803 108 P CB 0.442 32.143 31.700 0.002 0.000 0.782 109 D N -1.426 119.027 120.400 0.089 0.000 2.269 109 D HA -0.113 4.526 4.640 -0.000 0.000 0.208 109 D C 1.671 178.151 176.300 0.300 0.000 0.963 109 D CA 0.697 54.816 54.000 0.199 0.000 0.864 109 D CB -0.241 40.671 40.800 0.187 0.000 0.936 109 D HN 0.134 nan 8.370 nan 0.000 0.505 110 W N 1.285 122.556 121.300 -0.048 0.000 2.335 110 W HA -0.055 4.605 4.660 -0.000 0.000 0.311 110 W C 2.372 179.041 176.519 0.250 0.000 1.213 110 W CA 0.195 57.603 57.345 0.104 0.000 1.274 110 W CB -1.101 28.309 29.460 -0.083 0.000 1.148 110 W HN -0.022 nan 8.180 nan 0.000 0.498 111 I N -0.499 120.203 120.570 0.219 0.000 2.202 111 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 111 I C 2.281 178.484 176.117 0.144 0.000 1.091 111 I CA 1.713 63.062 61.300 0.082 0.000 1.368 111 I CB -1.005 36.646 38.000 -0.582 0.000 1.058 111 I HN -0.095 nan 8.210 nan 0.000 0.410 112 T N 0.620 115.270 114.554 0.161 0.000 2.684 112 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 112 T C 1.919 176.736 174.700 0.196 0.000 1.036 112 T CA 1.386 63.627 62.100 0.234 0.000 1.148 112 T CB -0.173 68.856 68.868 0.268 0.000 0.863 112 T HN 0.274 nan 8.240 nan 0.000 0.436 113 K N 0.961 121.486 120.400 0.208 0.000 2.063 113 K HA -0.015 4.305 4.320 -0.000 0.000 0.208 113 K C 2.628 179.306 176.600 0.130 0.000 1.048 113 K CA 1.285 57.670 56.287 0.163 0.000 0.928 113 K CB -0.282 32.311 32.500 0.155 0.000 0.713 113 K HN 0.288 nan 8.250 nan 0.000 0.442 114 A N 1.471 124.403 122.820 0.186 0.000 1.898 114 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 114 A C 1.936 179.575 177.584 0.091 0.000 1.181 114 A CA 1.291 53.396 52.037 0.114 0.000 0.620 114 A CB -0.254 18.881 19.000 0.224 0.000 0.819 114 A HN 0.170 nan 8.150 nan 0.000 0.442 115 E N 0.160 120.454 120.200 0.157 0.000 2.110 115 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 115 E C 1.886 178.523 176.600 0.062 0.000 0.988 115 E CA 1.381 57.848 56.400 0.112 0.000 0.804 115 E CB -0.295 29.492 29.700 0.145 0.000 0.745 115 E HN 0.758 nan 8.360 nan 0.000 0.458 116 E N 0.525 120.766 120.200 0.070 0.000 2.107 116 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 116 E C 2.061 178.703 176.600 0.071 0.000 0.982 116 E CA 0.707 57.136 56.400 0.048 0.000 0.809 116 E CB -0.029 29.723 29.700 0.088 0.000 0.756 116 E HN 0.160 nan 8.360 nan 0.000 0.459 117 A N 1.676 124.503 122.820 0.011 0.000 1.902 117 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 117 A C 2.408 180.092 177.584 0.167 0.000 1.181 117 A CA 1.663 53.660 52.037 -0.065 0.000 0.623 117 A CB -0.587 18.157 19.000 -0.427 0.000 0.818 117 A HN 0.281 nan 8.150 nan 0.000 0.443 118 A N -0.162 122.716 122.820 0.097 0.000 2.019 118 A HA -0.151 4.168 4.320 -0.000 0.000 0.219 118 A C 1.633 179.246 177.584 0.050 0.000 1.164 118 A CA 1.746 53.847 52.037 0.106 0.000 0.644 118 A CB -0.542 18.487 19.000 0.049 0.000 0.805 118 A HN 0.455 nan 8.150 nan 0.000 0.449 119 D N -0.759 119.621 120.400 -0.035 0.000 2.218 119 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 119 D C 0.814 176.919 176.300 -0.325 0.000 0.976 119 D CA 1.018 54.895 54.000 -0.206 0.000 0.853 119 D CB -0.307 40.282 40.800 -0.351 0.000 0.939 119 D HN 0.526 nan 8.370 nan 0.000 0.481 120 F N -0.514 119.454 119.950 0.030 0.000 2.773 120 F HA 0.281 4.808 4.527 -0.000 0.000 0.304 120 F C 1.895 177.624 175.800 -0.117 0.000 1.129 120 F CA 0.320 58.310 58.000 -0.016 0.000 1.378 120 F CB 0.355 39.371 39.000 0.027 0.000 1.095 120 F HN 0.013 nan 8.300 nan 0.000 0.565 121 G N -1.159 107.662 108.800 0.035 0.000 2.176 121 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.232 121 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.232 121 G C -0.012 174.839 174.900 -0.082 0.000 0.986 121 G CA -0.710 44.363 45.100 -0.046 0.000 0.643 121 G HN 0.266 nan 8.290 nan 0.000 0.522 122 Y N 0.839 121.179 120.300 0.066 0.000 2.620 122 Y HA 0.349 4.899 4.550 -0.000 0.000 0.330 122 Y C 1.919 177.845 175.900 0.043 0.000 1.186 122 Y CA 1.061 59.200 58.100 0.065 0.000 1.467 122 Y CB 1.170 39.686 38.460 0.094 0.000 1.262 122 Y HN 0.082 nan 8.280 nan 0.000 0.550 123 G N 3.721 112.620 108.800 0.165 0.000 2.464 123 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.217 123 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.217 123 G C 0.091 175.043 174.900 0.087 0.000 1.138 123 G CA 0.161 45.319 45.100 0.097 0.000 0.793 123 G HN 0.501 nan 8.290 nan 0.000 0.539 124 L N 1.073 122.365 121.223 0.114 0.000 2.438 124 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 124 L C -1.480 175.442 176.870 0.086 0.000 0.972 124 L CA -0.619 54.261 54.840 0.067 0.000 0.831 124 L CB 2.538 44.617 42.059 0.035 0.000 1.273 124 L HN -0.176 nan 8.230 nan 0.000 0.405 125 V N 5.023 124.965 119.914 0.046 0.000 2.448 125 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 125 V C -0.285 175.808 176.094 -0.002 0.000 1.025 125 V CA -0.647 61.672 62.300 0.030 0.000 0.859 125 V CB 1.953 33.781 31.823 0.007 0.000 0.988 125 V HN 0.706 nan 8.190 nan 0.000 0.431 126 R N 3.618 124.108 120.500 -0.017 0.000 2.387 126 R HA 0.519 4.859 4.340 -0.000 0.000 0.314 126 R C -0.693 175.603 176.300 -0.007 0.000 0.958 126 R CA -0.709 55.416 56.100 0.041 0.000 0.846 126 R CB 1.439 31.764 30.300 0.042 0.000 1.147 126 R HN 0.739 nan 8.270 nan 0.000 0.447 127 H N 3.528 122.630 119.070 0.053 0.000 2.646 127 H HA 0.103 4.659 4.556 -0.000 0.000 0.325 127 H C -0.546 174.662 175.328 -0.198 0.000 1.075 127 H CA -0.036 55.930 56.048 -0.137 0.000 1.421 127 H CB 0.915 30.578 29.762 -0.166 0.000 1.461 127 H HN 0.581 nan 8.280 nan 0.000 0.525 128 Y N 1.565 121.581 120.300 -0.474 0.000 2.570 128 Y HA 0.628 5.178 4.550 -0.000 0.000 0.345 128 Y C -1.907 173.552 175.900 -0.735 0.000 1.014 128 Y CA -1.710 56.166 58.100 -0.372 0.000 1.063 128 Y CB 1.120 39.553 38.460 -0.044 0.000 1.272 128 Y HN 0.287 nan 8.280 nan 0.000 0.477 129 F N 1.692 121.566 119.950 -0.126 0.000 2.603 129 F HA 0.663 5.189 4.527 -0.000 0.000 0.317 129 F C -2.472 173.312 175.800 -0.027 0.000 1.066 129 F CA -2.513 55.306 58.000 -0.302 0.000 0.941 129 F CB 2.177 41.104 39.000 -0.123 0.000 1.291 129 F HN 0.335 nan 8.300 nan 0.000 0.472 130 P HA 0.209 nan 4.420 nan 0.000 0.271 130 P C -0.951 176.538 177.300 0.315 0.000 1.216 130 P CA -0.225 63.065 63.100 0.317 0.000 0.771 130 P CB 0.837 32.680 31.700 0.239 0.000 0.864 131 R N 1.490 122.218 120.500 0.380 0.000 2.750 131 R HA 0.640 4.980 4.340 -0.000 0.000 0.281 131 R C -0.080 176.451 176.300 0.385 0.000 0.972 131 R CA -1.131 55.178 56.100 0.348 0.000 0.912 131 R CB 1.765 32.280 30.300 0.358 0.000 1.187 131 R HN 0.529 nan 8.270 nan 0.000 0.464 132 A N 0.879 123.874 122.820 0.291 0.000 2.448 132 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 132 A C 1.313 179.101 177.584 0.339 0.000 1.080 132 A CA 0.491 52.704 52.037 0.293 0.000 0.779 132 A CB 0.144 19.230 19.000 0.144 0.000 1.026 132 A HN 0.865 nan 8.150 nan 0.000 0.499 133 S N -0.091 115.819 115.700 0.349 0.000 2.423 133 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 133 S C 1.167 175.934 174.600 0.279 0.000 1.014 133 S CA 1.555 59.900 58.200 0.241 0.000 0.965 133 S CB -0.690 62.606 63.200 0.160 0.000 0.785 133 S HN 1.239 nan 8.310 nan 0.000 0.495 134 T N -1.481 113.225 114.554 0.253 0.000 3.134 134 T HA 0.319 4.669 4.350 -0.000 0.000 0.260 134 T C -0.212 174.647 174.700 0.265 0.000 1.027 134 T CA -0.602 61.676 62.100 0.298 0.000 0.913 134 T CB -0.027 69.016 68.868 0.291 0.000 1.046 134 T HN 0.127 nan 8.240 nan 0.000 0.553 135 D N 1.218 121.757 120.400 0.232 0.000 2.437 135 D HA 0.609 5.249 4.640 -0.000 0.000 0.259 135 D C 0.886 177.327 176.300 0.236 0.000 1.118 135 D CA 0.152 54.283 54.000 0.217 0.000 1.017 135 D CB 1.259 42.189 40.800 0.217 0.000 1.120 135 D HN 0.228 nan 8.370 nan 0.000 0.541 136 A N 0.389 123.342 122.820 0.220 0.000 2.872 136 A HA -0.205 4.115 4.320 -0.000 0.000 0.273 136 A C 1.383 179.136 177.584 0.282 0.000 1.442 136 A CA 0.776 52.955 52.037 0.238 0.000 0.801 136 A CB -1.751 17.440 19.000 0.318 0.000 1.031 136 A HN 0.424 nan 8.150 nan 0.000 0.582 137 M N -1.154 118.587 119.600 0.235 0.000 2.419 137 M HA 0.056 4.536 4.480 -0.000 0.000 0.264 137 M C 1.999 178.567 176.300 0.447 0.000 1.082 137 M CA 1.530 56.976 55.300 0.243 0.000 1.119 137 M CB -0.813 31.824 32.600 0.062 0.000 1.398 137 M HN 0.710 nan 8.290 nan 0.000 0.453 138 I N -0.615 120.141 120.570 0.309 0.000 2.277 138 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 138 I C 2.283 178.428 176.117 0.047 0.000 1.094 138 I CA 1.066 62.411 61.300 0.075 0.000 1.393 138 I CB -0.760 37.145 38.000 -0.158 0.000 1.078 138 I HN 0.203 nan 8.210 nan 0.000 0.417 139 T N 0.141 114.697 114.554 0.003 0.000 2.624 139 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 139 T C 1.463 176.068 174.700 -0.159 0.000 1.041 139 T CA 2.085 64.108 62.100 -0.128 0.000 1.159 139 T CB -0.383 68.364 68.868 -0.200 0.000 0.863 139 T HN 0.392 nan 8.240 nan 0.000 0.434 140 W N 0.357 121.648 121.300 -0.015 0.000 2.444 140 W HA 0.129 4.789 4.660 -0.000 0.000 0.308 140 W C 2.371 178.909 176.519 0.031 0.000 1.183 140 W CA 0.207 57.517 57.345 -0.057 0.000 1.340 140 W CB -0.142 29.221 29.460 -0.163 0.000 1.138 140 W HN 0.111 nan 8.180 nan 0.000 0.510 141 M N -0.753 119.051 119.600 0.340 0.000 2.506 141 M HA 0.021 4.501 4.480 -0.000 0.000 0.260 141 M C 1.392 178.088 176.300 0.661 0.000 1.104 141 M CA 1.052 56.600 55.300 0.414 0.000 1.112 141 M CB -0.746 31.952 32.600 0.162 0.000 1.401 141 M HN 0.044 nan 8.290 nan 0.000 0.473 142 I N -1.214 119.608 120.570 0.420 0.000 3.393 142 I HA 0.006 4.175 4.170 -0.000 0.000 0.250 142 I C 1.983 178.195 176.117 0.158 0.000 1.122 142 I CA 1.017 62.560 61.300 0.405 0.000 1.484 142 I CB -1.126 36.971 38.000 0.162 0.000 1.468 142 I HN 0.124 nan 8.210 nan 0.000 0.461 143 T N 1.608 116.128 114.554 -0.056 0.000 2.706 143 T HA -0.026 4.324 4.350 -0.000 0.000 0.255 143 T C 2.027 176.459 174.700 -0.447 0.000 1.048 143 T CA 1.102 62.995 62.100 -0.345 0.000 1.153 143 T CB -0.168 68.510 68.868 -0.315 0.000 0.865 143 T HN 0.171 nan 8.240 nan 0.000 0.414 144 R N 0.676 121.040 120.500 -0.227 0.000 2.096 144 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 144 R C 2.751 179.040 176.300 -0.019 0.000 1.127 144 R CA 1.492 57.526 56.100 -0.109 0.000 0.968 144 R CB -0.783 29.369 30.300 -0.247 0.000 0.861 144 R HN 0.294 nan 8.270 nan 0.000 0.440 145 T N 0.106 114.670 114.554 0.015 0.000 2.684 145 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 145 T C 1.883 176.378 174.700 -0.343 0.000 1.036 145 T CA 1.649 63.736 62.100 -0.021 0.000 1.148 145 T CB -0.495 68.440 68.868 0.111 0.000 0.863 145 T HN 0.556 nan 8.240 nan 0.000 0.436 146 G N 0.559 109.114 108.800 -0.408 0.000 2.418 146 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.217 146 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.217 146 G C 1.253 176.128 174.900 -0.042 0.000 1.158 146 G CA 0.364 45.207 45.100 -0.429 0.000 0.771 146 G HN 0.387 nan 8.290 nan 0.000 0.545 147 F N 1.869 121.867 119.950 0.080 0.000 2.171 147 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 147 F C 2.972 178.864 175.800 0.154 0.000 1.090 147 F CA 0.258 58.423 58.000 0.276 0.000 1.293 147 F CB -0.894 38.213 39.000 0.177 0.000 1.013 147 F HN 0.268 nan 8.300 nan 0.000 0.486 148 A N -0.093 122.836 122.820 0.182 0.000 1.897 148 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 148 A C 2.315 179.898 177.584 -0.001 0.000 1.181 148 A CA 1.126 53.205 52.037 0.070 0.000 0.620 148 A CB -0.982 18.052 19.000 0.057 0.000 0.821 148 A HN 0.356 nan 8.150 nan 0.000 0.443 149 L N -0.925 120.213 121.223 -0.142 0.000 2.156 149 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 149 L C 2.253 179.020 176.870 -0.172 0.000 1.095 149 L CA 0.835 55.548 54.840 -0.211 0.000 0.770 149 L CB -0.267 41.502 42.059 -0.484 0.000 0.914 149 L HN 0.360 nan 8.230 nan 0.000 0.439 150 L N -2.581 118.482 121.223 -0.267 0.000 2.425 150 L HA 0.037 4.377 4.340 -0.000 0.000 0.215 150 L C 0.519 176.984 176.870 -0.676 0.000 1.065 150 L CA 0.133 54.604 54.840 -0.616 0.000 0.842 150 L CB 0.174 41.518 42.059 -1.191 0.000 1.033 150 L HN 0.320 nan 8.230 nan 0.000 0.474 151 W N 1.066 122.424 121.300 0.096 0.000 1.506 151 W HA 0.294 4.954 4.660 -0.000 0.000 0.296 151 W C -1.936 174.627 176.519 0.072 0.000 0.847 151 W CA -1.320 56.081 57.345 0.094 0.000 2.203 151 W CB 0.010 29.523 29.460 0.090 0.000 2.219 151 W HN -0.042 nan 8.180 nan 0.000 0.464 152 P HA -0.201 nan 4.420 nan 0.000 0.219 152 P C 0.985 178.308 177.300 0.039 0.000 1.146 152 P CA 1.685 64.810 63.100 0.041 0.000 0.808 152 P CB 0.284 31.924 31.700 -0.101 0.000 0.779 153 H N -0.517 118.683 119.070 0.216 0.000 2.539 153 H HA 0.130 4.685 4.556 -0.000 0.000 0.269 153 H C 1.085 176.527 175.328 0.190 0.000 0.980 153 H CA 0.703 56.869 56.048 0.197 0.000 1.152 153 H CB 0.043 29.888 29.762 0.137 0.000 1.407 153 H HN 0.260 nan 8.280 nan 0.000 0.564 154 T N -2.243 112.487 114.554 0.293 0.000 2.923 154 T HA 0.164 4.513 4.350 -0.000 0.000 0.281 154 T C 1.226 176.063 174.700 0.230 0.000 0.995 154 T CA -0.722 61.486 62.100 0.180 0.000 0.985 154 T CB 2.329 71.237 68.868 0.066 0.000 1.114 154 T HN -0.111 nan 8.240 nan 0.000 0.548 155 E N -0.277 119.983 120.200 0.100 0.000 2.347 155 E HA 0.090 4.440 4.350 -0.000 0.000 0.196 155 E C 1.800 178.458 176.600 0.096 0.000 1.008 155 E CA 0.570 57.061 56.400 0.152 0.000 0.852 155 E CB -0.812 28.874 29.700 -0.023 0.000 0.783 155 E HN 0.675 nan 8.360 nan 0.000 0.505 156 L N 0.178 121.331 121.223 -0.118 0.000 1.990 156 L HA -0.266 4.073 4.340 -0.000 0.000 0.213 156 L C 2.332 179.108 176.870 -0.157 0.000 1.072 156 L CA 1.861 56.446 54.840 -0.425 0.000 0.755 156 L CB -0.704 40.860 42.059 -0.825 0.000 0.889 156 L HN 0.233 nan 8.230 nan 0.000 0.432 157 S N -2.196 113.521 115.700 0.029 0.000 2.561 157 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 157 S C 1.251 175.762 174.600 -0.148 0.000 0.977 157 S CA -0.003 58.210 58.200 0.023 0.000 0.926 157 S CB -0.586 62.578 63.200 -0.061 0.000 0.769 157 S HN 0.493 nan 8.310 nan 0.000 0.533 158 W N 1.257 122.593 121.300 0.060 0.000 3.197 158 W HA 0.452 5.112 4.660 -0.000 0.000 0.274 158 W C 0.091 176.663 176.519 0.089 0.000 1.297 158 W CA -0.890 56.512 57.345 0.095 0.000 1.662 158 W CB 0.084 29.626 29.460 0.137 0.000 1.106 158 W HN 0.141 nan 8.180 nan 0.000 0.663 159 I N 2.197 122.852 120.570 0.141 0.000 2.533 159 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 159 I C 1.453 177.552 176.117 -0.029 0.000 1.109 159 I CA 0.035 61.338 61.300 0.005 0.000 1.412 159 I CB 0.778 38.732 38.000 -0.076 0.000 1.396 159 I HN 0.074 nan 8.210 nan 0.000 0.543 160 E N 4.616 124.757 120.200 -0.097 0.000 2.047 160 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 160 E C 0.282 176.795 176.600 -0.145 0.000 0.987 160 E CA 1.362 57.665 56.400 -0.162 0.000 0.799 160 E CB 0.194 29.669 29.700 -0.375 0.000 0.752 160 E HN 0.592 nan 8.360 nan 0.000 0.449 161 Q N 0.179 119.947 119.800 -0.054 0.000 3.064 161 Q HA 0.153 4.493 4.340 -0.000 0.000 0.258 161 Q C -2.012 174.013 176.000 0.041 0.000 0.972 161 Q CA -1.260 54.552 55.803 0.015 0.000 0.761 161 Q CB 1.656 30.489 28.738 0.157 0.000 1.281 161 Q HN 0.030 nan 8.270 nan 0.000 0.455 162 P HA -0.127 nan 4.420 nan 0.000 0.226 162 P C 0.684 178.034 177.300 0.083 0.000 1.153 162 P CA 0.902 64.058 63.100 0.093 0.000 0.777 162 P CB 0.404 32.219 31.700 0.193 0.000 0.794 163 L N -1.299 119.950 121.223 0.043 0.000 2.592 163 L HA 0.237 4.576 4.340 -0.000 0.000 0.227 163 L C 1.418 178.340 176.870 0.087 0.000 1.127 163 L CA -0.254 54.611 54.840 0.041 0.000 0.884 163 L CB -0.719 41.331 42.059 -0.014 0.000 1.065 163 L HN -0.080 nan 8.230 nan 0.000 0.457 164 G N -0.098 108.777 108.800 0.126 0.000 2.365 164 G HA2 0.283 4.243 3.960 -0.000 0.000 0.249 164 G HA3 0.283 4.243 3.960 -0.000 0.000 0.249 164 G C 0.858 175.872 174.900 0.189 0.000 1.288 164 G CA 0.074 45.290 45.100 0.193 0.000 0.887 164 G HN 0.275 nan 8.290 nan 0.000 0.524 165 G N 1.213 110.137 108.800 0.207 0.000 3.189 165 G HA2 0.269 4.229 3.960 -0.000 0.000 0.225 165 G HA3 0.269 4.229 3.960 -0.000 0.000 0.225 165 G C 0.227 175.253 174.900 0.210 0.000 1.159 165 G CA -0.202 45.004 45.100 0.176 0.000 0.763 165 G HN 0.533 nan 8.290 nan 0.000 0.549 166 E N 0.461 120.833 120.200 0.287 0.000 2.092 166 E HA 0.574 4.923 4.350 -0.000 0.000 0.271 166 E C -0.412 176.382 176.600 0.323 0.000 0.919 166 E CA -0.415 56.150 56.400 0.275 0.000 0.760 166 E CB 1.535 31.551 29.700 0.526 0.000 1.106 166 E HN 0.320 nan 8.360 nan 0.000 0.408 167 L N 0.251 121.575 121.223 0.169 0.000 2.838 167 L HA 0.640 4.980 4.340 -0.000 0.000 0.266 167 L C -1.733 175.166 176.870 0.047 0.000 1.040 167 L CA -1.113 53.857 54.840 0.218 0.000 0.906 167 L CB 1.021 43.174 42.059 0.157 0.000 1.501 167 L HN 0.411 nan 8.230 nan 0.000 0.407 168 L N 0.936 122.147 121.223 -0.019 0.000 2.386 168 L HA 0.854 5.194 4.340 -0.000 0.000 0.271 168 L C -1.323 175.487 176.870 -0.100 0.000 0.993 168 L CA -0.519 54.198 54.840 -0.206 0.000 0.819 168 L CB 1.936 43.764 42.059 -0.386 0.000 1.294 168 L HN 0.816 nan 8.230 nan 0.000 0.414 169 M N 3.941 123.472 119.600 -0.116 0.000 2.465 169 M HA 0.549 5.029 4.480 -0.000 0.000 0.316 169 M C -0.487 175.806 176.300 -0.012 0.000 1.121 169 M CA -0.601 54.672 55.300 -0.045 0.000 0.934 169 M CB 2.325 34.906 32.600 -0.032 0.000 1.692 169 M HN 0.536 nan 8.290 nan 0.000 0.444 170 R N 0.622 121.152 120.500 0.050 0.000 2.679 170 R HA 0.173 4.513 4.340 -0.000 0.000 0.269 170 R C 1.261 177.675 176.300 0.190 0.000 1.076 170 R CA -0.183 55.983 56.100 0.110 0.000 1.160 170 R CB 0.612 30.964 30.300 0.086 0.000 1.054 170 R HN 0.662 nan 8.270 nan 0.000 0.507 171 R N 1.613 122.269 120.500 0.260 0.000 2.091 171 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 171 R C 1.019 177.416 176.300 0.162 0.000 1.136 171 R CA 2.095 58.373 56.100 0.297 0.000 0.959 171 R CB 0.042 30.397 30.300 0.092 0.000 0.856 171 R HN 0.620 nan 8.270 nan 0.000 0.437 172 E N -0.127 120.132 120.200 0.098 0.000 2.153 172 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 172 E C 1.922 178.563 176.600 0.067 0.000 0.988 172 E CA 1.326 57.763 56.400 0.062 0.000 0.811 172 E CB 0.046 29.770 29.700 0.041 0.000 0.746 172 E HN 0.150 nan 8.360 nan 0.000 0.466 173 V N 0.906 120.864 119.914 0.074 0.000 2.323 173 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 173 V C 2.240 178.368 176.094 0.057 0.000 1.041 173 V CA 1.682 64.012 62.300 0.049 0.000 1.025 173 V CB -0.764 31.077 31.823 0.030 0.000 0.656 173 V HN 0.359 nan 8.190 nan 0.000 0.451 174 A N 0.165 123.054 122.820 0.114 0.000 1.940 174 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 174 A C 2.408 180.100 177.584 0.180 0.000 1.176 174 A CA 2.199 54.331 52.037 0.158 0.000 0.631 174 A CB -0.759 18.453 19.000 0.353 0.000 0.814 174 A HN 0.571 nan 8.150 nan 0.000 0.446 175 A N -0.931 121.981 122.820 0.153 0.000 1.898 175 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 175 A C 2.213 179.881 177.584 0.139 0.000 1.181 175 A CA 1.905 54.026 52.037 0.141 0.000 0.620 175 A CB -0.495 18.550 19.000 0.076 0.000 0.819 175 A HN 0.536 nan 8.150 nan 0.000 0.442 176 M N -0.169 119.487 119.600 0.094 0.000 2.132 176 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 176 M C 1.950 178.300 176.300 0.082 0.000 1.065 176 M CA 1.702 57.044 55.300 0.070 0.000 1.122 176 M CB -0.777 31.849 32.600 0.042 0.000 1.365 176 M HN 0.421 nan 8.290 nan 0.000 0.411 177 L N -1.058 120.217 121.223 0.086 0.000 2.056 177 L HA -0.236 4.104 4.340 -0.000 0.000 0.207 177 L C 2.558 179.532 176.870 0.174 0.000 1.078 177 L CA 1.297 56.199 54.840 0.103 0.000 0.749 177 L CB -1.090 40.962 42.059 -0.012 0.000 0.901 177 L HN 0.256 nan 8.230 nan 0.000 0.433 178 Y N 1.153 121.502 120.300 0.083 0.000 2.224 178 Y HA -0.232 4.318 4.550 -0.000 0.000 0.289 178 Y C 2.380 178.327 175.900 0.078 0.000 1.146 178 Y CA 1.472 59.634 58.100 0.103 0.000 1.182 178 Y CB 0.049 38.575 38.460 0.109 0.000 0.983 178 Y HN 0.119 nan 8.280 nan 0.000 0.524 179 E N 0.322 120.540 120.200 0.031 0.000 2.358 179 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 179 E C 0.083 176.652 176.600 -0.051 0.000 1.010 179 E CA 0.525 56.899 56.400 -0.044 0.000 0.856 179 E CB -0.428 29.290 29.700 0.030 0.000 0.795 179 E HN 0.374 nan 8.360 nan 0.000 0.504 180 D N 0.464 120.856 120.400 -0.013 0.000 2.317 180 D HA -0.044 4.596 4.640 -0.000 0.000 0.252 180 D C 0.934 177.225 176.300 -0.016 0.000 1.174 180 D CA 0.039 54.043 54.000 0.005 0.000 0.866 180 D CB 1.165 41.994 40.800 0.049 0.000 1.127 180 D HN -0.083 nan 8.370 nan 0.000 0.467 181 E N 3.896 124.082 120.200 -0.022 0.000 2.150 181 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 181 E C 1.513 178.103 176.600 -0.016 0.000 0.985 181 E CA 1.372 57.753 56.400 -0.032 0.000 0.814 181 E CB 0.196 29.880 29.700 -0.027 0.000 0.752 181 E HN 0.414 nan 8.360 nan 0.000 0.466 182 R N -0.419 120.081 120.500 -0.000 0.000 2.115 182 R HA -0.019 4.321 4.340 -0.000 0.000 0.230 182 R C 2.333 178.636 176.300 0.004 0.000 1.111 182 R CA 1.202 57.300 56.100 -0.003 0.000 0.976 182 R CB -0.451 29.848 30.300 -0.000 0.000 0.870 182 R HN 0.073 nan 8.270 nan 0.000 0.445 183 V N 0.544 120.480 119.914 0.036 0.000 2.346 183 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 183 V C 2.294 178.415 176.094 0.044 0.000 1.037 183 V CA 1.590 63.934 62.300 0.073 0.000 1.029 183 V CB -0.408 31.521 31.823 0.177 0.000 0.663 183 V HN 0.134 nan 8.190 nan 0.000 0.454 184 R N 1.208 121.717 120.500 0.016 0.000 2.105 184 R HA -0.190 4.149 4.340 -0.000 0.000 0.239 184 R C 2.416 178.708 176.300 -0.014 0.000 1.135 184 R CA 1.902 57.993 56.100 -0.015 0.000 0.967 184 R CB -0.478 29.761 30.300 -0.102 0.000 0.861 184 R HN 0.661 nan 8.270 nan 0.000 0.442 185 R N -0.853 119.634 120.500 -0.022 0.000 2.236 185 R HA 0.024 4.364 4.340 -0.000 0.000 0.208 185 R C 0.486 176.767 176.300 -0.031 0.000 1.036 185 R CA 0.615 56.700 56.100 -0.024 0.000 1.001 185 R CB -0.100 30.185 30.300 -0.025 0.000 0.896 185 R HN -0.130 nan 8.270 nan 0.000 0.464 186 R N 2.100 122.577 120.500 -0.039 0.000 3.710 186 R HA 0.057 4.396 4.340 -0.000 0.000 0.201 186 R C 0.566 176.818 176.300 -0.080 0.000 1.641 186 R CA 0.158 56.222 56.100 -0.061 0.000 1.390 186 R CB 0.228 30.481 30.300 -0.079 0.000 1.341 186 R HN 0.438 nan 8.270 nan 0.000 0.728 187 S N -0.701 114.959 115.700 -0.067 0.000 2.522 187 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 187 S C 0.698 175.217 174.600 -0.134 0.000 0.986 187 S CA 0.241 58.394 58.200 -0.078 0.000 0.929 187 S CB -0.228 62.942 63.200 -0.050 0.000 0.769 187 S HN 0.563 nan 8.310 nan 0.000 0.529 188 D N 0.035 120.356 120.400 -0.130 0.000 2.481 188 D HA 0.153 4.793 4.640 -0.000 0.000 0.283 188 D C 0.610 176.804 176.300 -0.177 0.000 1.192 188 D CA -1.030 52.863 54.000 -0.178 0.000 1.100 188 D CB -0.674 40.075 40.800 -0.086 0.000 1.166 188 D HN 0.276 nan 8.370 nan 0.000 0.584 189 W N -0.546 120.703 121.300 -0.084 0.000 2.611 189 W HA 0.200 4.860 4.660 -0.000 0.000 0.251 189 W C 2.177 178.630 176.519 -0.110 0.000 1.265 189 W CA 0.311 57.601 57.345 -0.091 0.000 1.295 189 W CB 0.075 29.487 29.460 -0.079 0.000 1.129 189 W HN 0.549 nan 8.180 nan 0.000 0.630 190 G N 0.134 108.989 108.800 0.091 0.000 2.679 190 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.212 190 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.212 190 G C 1.262 176.120 174.900 -0.071 0.000 1.137 190 G CA 0.356 45.459 45.100 0.004 0.000 0.787 190 G HN 0.210 nan 8.290 nan 0.000 0.534 191 I N 1.239 121.727 120.570 -0.136 0.000 2.208 191 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 191 I C 2.015 177.870 176.117 -0.437 0.000 1.097 191 I CA 1.493 62.583 61.300 -0.350 0.000 1.363 191 I CB -0.095 37.630 38.000 -0.457 0.000 1.051 191 I HN 0.118 nan 8.210 nan 0.000 0.413 192 D N -0.489 119.775 120.400 -0.227 0.000 2.117 192 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 192 D C 2.059 178.365 176.300 0.010 0.000 0.987 192 D CA 1.956 55.893 54.000 -0.105 0.000 0.829 192 D CB -0.362 40.446 40.800 0.012 0.000 0.961 192 D HN 0.374 nan 8.370 nan 0.000 0.460 193 T N 1.869 116.433 114.554 0.018 0.000 2.720 193 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 193 T C 1.997 176.797 174.700 0.166 0.000 1.037 193 T CA 0.389 62.553 62.100 0.107 0.000 1.144 193 T CB -0.076 68.804 68.868 0.020 0.000 0.864 193 T HN 0.062 nan 8.240 nan 0.000 0.444 194 L N -0.082 121.173 121.223 0.053 0.000 2.056 194 L HA -0.048 4.291 4.340 -0.000 0.000 0.207 194 L C 2.423 179.430 176.870 0.227 0.000 1.078 194 L CA 1.846 56.744 54.840 0.097 0.000 0.749 194 L CB -1.156 40.903 42.059 -0.000 0.000 0.901 194 L HN 0.305 nan 8.230 nan 0.000 0.433 195 Y N 0.591 120.928 120.300 0.062 0.000 2.145 195 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 195 Y C 2.874 178.796 175.900 0.037 0.000 1.145 195 Y CA 1.233 59.355 58.100 0.037 0.000 1.148 195 Y CB -1.463 36.994 38.460 -0.004 0.000 0.981 195 Y HN 0.198 nan 8.280 nan 0.000 0.507 196 T N 0.464 115.154 114.554 0.227 0.000 2.708 196 T HA -0.224 4.125 4.350 -0.000 0.000 0.266 196 T C 1.768 176.477 174.700 0.015 0.000 1.037 196 T CA 1.597 63.765 62.100 0.113 0.000 1.146 196 T CB -0.773 68.197 68.868 0.170 0.000 0.865 196 T HN 0.293 nan 8.240 nan 0.000 0.435 197 F N 1.492 121.413 119.950 -0.048 0.000 2.113 197 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 197 F C 2.239 177.930 175.800 -0.182 0.000 1.103 197 F CA 0.905 58.783 58.000 -0.202 0.000 1.248 197 F CB -0.408 38.520 39.000 -0.121 0.000 0.999 197 F HN -0.103 nan 8.300 nan 0.000 0.475 198 V N 0.343 120.336 119.914 0.131 0.000 2.453 198 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 198 V C 2.524 178.574 176.094 -0.073 0.000 1.048 198 V CA 2.134 64.469 62.300 0.058 0.000 1.049 198 V CB -1.296 30.621 31.823 0.156 0.000 0.672 198 V HN 0.618 nan 8.190 nan 0.000 0.457 199 T N -1.757 112.761 114.554 -0.060 0.000 2.746 199 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 199 T C 1.847 176.450 174.700 -0.161 0.000 1.039 199 T CA 1.653 63.702 62.100 -0.084 0.000 1.142 199 T CB -0.622 68.214 68.868 -0.053 0.000 0.866 199 T HN 0.239 nan 8.240 nan 0.000 0.444 200 V N 1.986 121.743 119.914 -0.263 0.000 2.295 200 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 200 V C 2.958 178.829 176.094 -0.372 0.000 1.049 200 V CA 2.118 64.216 62.300 -0.337 0.000 1.024 200 V CB -0.925 30.619 31.823 -0.464 0.000 0.648 200 V HN 0.554 nan 8.190 nan 0.000 0.447 201 Q N -0.434 119.061 119.800 -0.508 0.000 2.181 201 Q HA -0.290 4.049 4.340 -0.000 0.000 0.205 201 Q C 2.124 177.990 176.000 -0.222 0.000 0.980 201 Q CA 1.846 57.382 55.803 -0.445 0.000 0.862 201 Q CB 0.000 28.425 28.738 -0.521 0.000 0.905 201 Q HN 0.602 nan 8.270 nan 0.000 0.429 202 Q N -1.206 118.496 119.800 -0.163 0.000 2.360 202 Q HA 0.143 4.483 4.340 -0.000 0.000 0.202 202 Q C 0.409 176.361 176.000 -0.080 0.000 0.915 202 Q CA 0.688 56.436 55.803 -0.091 0.000 0.943 202 Q CB 0.490 29.195 28.738 -0.055 0.000 1.064 202 Q HN 0.571 nan 8.270 nan 0.000 0.511 203 G N -0.288 108.449 108.800 -0.104 0.000 2.176 203 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 203 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 203 G C -0.111 174.759 174.900 -0.050 0.000 1.024 203 G CA 0.218 45.272 45.100 -0.077 0.000 0.755 203 G HN 0.225 nan 8.290 nan 0.000 0.507 204 V N 1.569 121.452 119.914 -0.051 0.000 2.599 204 V HA 0.376 4.495 4.120 -0.000 0.000 0.300 204 V C 1.416 177.515 176.094 0.009 0.000 1.034 204 V CA 0.440 62.729 62.300 -0.018 0.000 1.115 204 V CB 1.198 33.010 31.823 -0.019 0.000 0.934 204 V HN 1.028 nan 8.190 nan 0.000 0.485 205 S N 6.219 121.948 115.700 0.048 0.000 2.531 205 S HA 0.592 5.062 4.470 -0.000 0.000 0.279 205 S C -0.611 174.139 174.600 0.251 0.000 1.305 205 S CA -0.521 57.757 58.200 0.129 0.000 1.058 205 S CB 0.352 63.588 63.200 0.060 0.000 0.899 205 S HN 0.483 nan 8.310 nan 0.000 0.493 206 I N 3.048 123.793 120.570 0.291 0.000 2.498 206 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 206 I C -1.181 175.067 176.117 0.219 0.000 1.032 206 I CA -0.851 60.566 61.300 0.196 0.000 1.073 206 I CB 1.782 39.766 38.000 -0.027 0.000 1.251 206 I HN 0.764 nan 8.210 nan 0.000 0.426 207 Y N 5.687 125.899 120.300 -0.147 0.000 2.335 207 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 207 Y C -0.533 175.275 175.900 -0.154 0.000 0.977 207 Y CA -0.555 57.313 58.100 -0.387 0.000 1.114 207 Y CB 1.370 39.289 38.460 -0.901 0.000 1.182 207 Y HN 0.483 nan 8.280 nan 0.000 0.463 208 E N 6.023 125.868 120.200 -0.590 0.000 2.113 208 E HA 0.358 4.708 4.350 -0.000 0.000 0.273 208 E C -1.039 175.257 176.600 -0.506 0.000 0.924 208 E CA -0.806 55.379 56.400 -0.358 0.000 0.764 208 E CB 0.692 30.256 29.700 -0.228 0.000 1.104 208 E HN 0.699 nan 8.360 nan 0.000 0.406 209 C N 2.349 121.491 119.300 -0.262 0.000 2.341 209 C HA 0.503 4.963 4.460 -0.000 0.000 0.338 209 C C -0.205 174.689 174.990 -0.160 0.000 1.257 209 C CA -1.130 57.799 59.018 -0.148 0.000 1.883 209 C CB -0.575 27.174 27.740 0.015 0.000 2.334 209 C HN 0.743 nan 8.230 nan 0.000 0.524 210 Y N 3.854 123.928 120.300 -0.377 0.000 2.313 210 Y HA 0.655 5.205 4.550 -0.000 0.000 0.332 210 Y C -0.160 175.343 175.900 -0.662 0.000 1.071 210 Y CA -1.158 56.478 58.100 -0.773 0.000 1.169 210 Y CB 0.576 38.590 38.460 -0.743 0.000 1.192 210 Y HN 0.664 nan 8.280 nan 0.000 0.487 211 I N 9.777 129.547 120.570 -1.332 0.000 2.359 211 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 211 I C -1.826 173.694 176.117 -0.994 0.000 1.018 211 I CA -2.418 58.259 61.300 -1.038 0.000 1.173 211 I CB 1.432 38.677 38.000 -1.259 0.000 1.326 211 I HN 0.574 nan 8.210 nan 0.000 0.462 212 P HA -0.098 nan 4.420 nan 0.000 0.229 212 P C 0.965 178.221 177.300 -0.074 0.000 1.160 212 P CA 0.961 63.856 63.100 -0.340 0.000 0.777 212 P CB 0.694 32.371 31.700 -0.038 0.000 0.814 213 E N 0.471 120.673 120.200 0.003 0.000 2.442 213 E HA 0.232 4.582 4.350 -0.000 0.000 0.195 213 E C 0.970 177.677 176.600 0.179 0.000 1.030 213 E CA 0.574 57.060 56.400 0.143 0.000 0.869 213 E CB -0.420 29.399 29.700 0.198 0.000 0.857 213 E HN 0.210 nan 8.360 nan 0.000 0.505 214 G N 0.387 109.294 108.800 0.178 0.000 2.725 214 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 214 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 214 G C -0.192 174.779 174.900 0.118 0.000 1.357 214 G CA -0.063 45.169 45.100 0.220 0.000 0.866 214 G HN 0.478 nan 8.290 nan 0.000 0.548 215 K N -1.220 119.072 120.400 -0.181 0.000 1.776 215 K HA 0.876 5.195 4.320 -0.000 0.000 0.262 215 K C 0.267 176.691 176.600 -0.294 0.000 0.971 215 K CA -0.183 55.944 56.287 -0.268 0.000 0.943 215 K CB 0.656 32.720 32.500 -0.727 0.000 2.334 215 K HN 1.920 nan 8.250 nan 0.000 0.894 216 A N 1.515 124.187 122.820 -0.248 0.000 2.301 216 A HA 0.422 4.742 4.320 -0.000 0.000 0.312 216 A C -1.060 176.424 177.584 -0.167 0.000 1.182 216 A CA -0.678 51.218 52.037 -0.236 0.000 0.826 216 A CB 0.007 18.960 19.000 -0.079 0.000 1.134 216 A HN 0.591 nan 8.150 nan 0.000 0.501 217 H N 1.800 120.904 119.070 0.058 0.000 2.473 217 H HA 0.304 4.859 4.556 -0.000 0.000 0.327 217 H C 0.686 176.067 175.328 0.089 0.000 1.105 217 H CA -0.323 55.773 56.048 0.080 0.000 1.280 217 H CB 0.934 30.753 29.762 0.095 0.000 1.450 217 H HN 0.830 nan 8.280 nan 0.000 0.492 218 R N 2.162 122.795 120.500 0.222 0.000 2.774 218 R HA 0.209 4.549 4.340 -0.000 0.000 0.269 218 R C -0.297 176.114 176.300 0.185 0.000 1.068 218 R CA -0.690 55.511 56.100 0.169 0.000 1.180 218 R CB 0.416 30.794 30.300 0.129 0.000 1.077 218 R HN 0.376 nan 8.270 nan 0.000 0.513 219 L N 1.810 123.130 121.223 0.161 0.000 2.514 219 L HA -0.050 4.290 4.340 -0.000 0.000 0.280 219 L C 0.223 177.210 176.870 0.195 0.000 1.223 219 L CA -0.004 54.938 54.840 0.170 0.000 0.864 219 L CB -0.013 42.129 42.059 0.138 0.000 1.118 219 L HN 0.521 nan 8.230 nan 0.000 0.494 220 Y N 2.651 122.998 120.300 0.078 0.000 2.729 220 Y HA 0.369 4.919 4.550 -0.000 0.000 0.331 220 Y C 0.537 176.483 175.900 0.078 0.000 1.208 220 Y CA 0.626 58.767 58.100 0.069 0.000 1.521 220 Y CB 0.145 38.632 38.460 0.045 0.000 1.233 220 Y HN 0.534 nan 8.280 nan 0.000 0.539 221 G N 3.152 111.772 108.800 -0.301 0.000 2.550 221 G HA2 0.457 4.416 3.960 -0.000 0.000 0.293 221 G HA3 0.457 4.416 3.960 -0.000 0.000 0.293 221 G C -0.522 174.271 174.900 -0.177 0.000 1.402 221 G CA -0.493 44.470 45.100 -0.229 0.000 0.784 221 G HN 0.933 nan 8.290 nan 0.000 0.482 222 G N -1.242 107.520 108.800 -0.064 0.000 2.667 222 G HA2 0.412 4.371 3.960 -0.000 0.000 0.250 222 G HA3 0.412 4.371 3.960 -0.000 0.000 0.250 222 G C 1.210 176.165 174.900 0.091 0.000 1.212 222 G CA -0.594 44.532 45.100 0.044 0.000 0.874 222 G HN 0.634 nan 8.290 nan 0.000 0.561 223 L N 0.295 121.579 121.223 0.101 0.000 2.265 223 L HA -0.079 4.261 4.340 -0.000 0.000 0.215 223 L C 2.493 179.609 176.870 0.409 0.000 1.117 223 L CA 1.299 56.237 54.840 0.163 0.000 0.782 223 L CB -0.332 41.690 42.059 -0.061 0.000 0.914 223 L HN 0.730 nan 8.230 nan 0.000 0.441 224 D N -0.893 119.709 120.400 0.337 0.000 2.310 224 D HA -0.213 4.426 4.640 -0.000 0.000 0.212 224 D C 1.290 177.555 176.300 -0.058 0.000 0.965 224 D CA 0.784 54.782 54.000 -0.004 0.000 0.879 224 D CB -0.327 40.366 40.800 -0.178 0.000 0.921 224 D HN 0.226 nan 8.370 nan 0.000 0.510 225 D N 0.317 120.732 120.400 0.025 0.000 2.265 225 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 225 D C 1.645 177.943 176.300 -0.004 0.000 0.977 225 D CA 0.545 54.551 54.000 0.009 0.000 0.871 225 D CB 0.026 40.846 40.800 0.033 0.000 0.925 225 D HN 0.370 nan 8.370 nan 0.000 0.485 226 L N -0.179 121.061 121.223 0.028 0.000 2.667 226 L HA 0.238 4.578 4.340 -0.000 0.000 0.232 226 L C 2.125 178.930 176.870 -0.108 0.000 1.138 226 L CA -0.206 54.609 54.840 -0.041 0.000 0.921 226 L CB 0.240 42.325 42.059 0.043 0.000 1.180 226 L HN -0.133 nan 8.230 nan 0.000 0.487 227 R N 0.297 120.731 120.500 -0.109 0.000 2.073 227 R HA -0.148 4.191 4.340 -0.000 0.000 0.234 227 R C 1.998 178.214 176.300 -0.140 0.000 1.134 227 R CA 2.108 58.095 56.100 -0.190 0.000 0.952 227 R CB -0.116 29.872 30.300 -0.521 0.000 0.850 227 R HN 0.187 nan 8.270 nan 0.000 0.433 228 T N 1.205 115.704 114.554 -0.091 0.000 2.708 228 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 228 T C 1.718 176.439 174.700 0.035 0.000 1.037 228 T CA 1.614 63.720 62.100 0.011 0.000 1.146 228 T CB -0.178 68.748 68.868 0.096 0.000 0.865 228 T HN 0.288 nan 8.240 nan 0.000 0.435 229 M N 0.570 120.097 119.600 -0.121 0.000 2.108 229 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 229 M C 2.188 178.330 176.300 -0.262 0.000 1.066 229 M CA 1.511 56.593 55.300 -0.364 0.000 1.107 229 M CB -0.272 31.820 32.600 -0.846 0.000 1.356 229 M HN 0.254 nan 8.290 nan 0.000 0.406 230 L N 0.413 121.440 121.223 -0.326 0.000 1.989 230 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 230 L C 2.368 179.101 176.870 -0.228 0.000 1.071 230 L CA 2.282 56.863 54.840 -0.433 0.000 0.749 230 L CB -1.032 40.639 42.059 -0.645 0.000 0.890 230 L HN 0.381 nan 8.230 nan 0.000 0.431 231 V N -2.892 116.961 119.914 -0.102 0.000 2.490 231 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 231 V C 2.174 178.322 176.094 0.091 0.000 1.061 231 V CA 1.937 64.257 62.300 0.032 0.000 1.064 231 V CB -1.107 30.816 31.823 0.167 0.000 0.670 231 V HN 0.622 nan 8.190 nan 0.000 0.461 232 E N -0.373 119.865 120.200 0.064 0.000 2.158 232 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 232 E C 2.212 178.827 176.600 0.024 0.000 0.982 232 E CA 1.416 57.865 56.400 0.082 0.000 0.823 232 E CB -0.234 29.553 29.700 0.145 0.000 0.766 232 E HN 0.698 nan 8.360 nan 0.000 0.468 233 C N 0.436 119.721 119.300 -0.025 0.000 2.457 233 C HA -0.070 4.390 4.460 -0.000 0.000 0.278 233 C C 2.367 177.290 174.990 -0.112 0.000 1.309 233 C CA 0.126 59.098 59.018 -0.076 0.000 1.735 233 C CB -0.850 26.816 27.740 -0.122 0.000 1.992 233 C HN 0.421 nan 8.230 nan 0.000 0.493 234 F N 2.402 122.212 119.950 -0.234 0.000 2.146 234 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 234 F C 2.360 178.017 175.800 -0.238 0.000 1.096 234 F CA 1.487 59.301 58.000 -0.310 0.000 1.275 234 F CB -0.505 38.180 39.000 -0.526 0.000 1.008 234 F HN 0.143 nan 8.300 nan 0.000 0.480 235 A N 0.407 123.168 122.820 -0.099 0.000 1.940 235 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 235 A C 2.403 179.882 177.584 -0.174 0.000 1.176 235 A CA 1.831 53.839 52.037 -0.047 0.000 0.631 235 A CB -1.546 17.534 19.000 0.134 0.000 0.814 235 A HN 0.515 nan 8.150 nan 0.000 0.446 236 A N 0.067 122.788 122.820 -0.165 0.000 1.877 236 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 236 A C 2.031 179.480 177.584 -0.225 0.000 1.186 236 A CA 1.574 53.515 52.037 -0.160 0.000 0.620 236 A CB -0.479 18.453 19.000 -0.113 0.000 0.822 236 A HN 0.408 nan 8.150 nan 0.000 0.443 237 I N -0.006 120.379 120.570 -0.308 0.000 2.163 237 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 237 I C 2.675 178.594 176.117 -0.330 0.000 1.085 237 I CA 2.004 63.133 61.300 -0.284 0.000 1.347 237 I CB -1.473 36.315 38.000 -0.354 0.000 1.044 237 I HN 0.579 nan 8.210 nan 0.000 0.408 238 Q N 0.939 120.403 119.800 -0.560 0.000 2.135 238 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 238 Q C 2.320 178.163 176.000 -0.262 0.000 0.981 238 Q CA 2.687 58.217 55.803 -0.456 0.000 0.856 238 Q CB 0.026 28.490 28.738 -0.456 0.000 0.902 238 Q HN 0.607 nan 8.270 nan 0.000 0.425 239 S N -0.508 115.067 115.700 -0.208 0.000 2.447 239 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 239 S C 1.647 176.162 174.600 -0.140 0.000 1.006 239 S CA 0.731 58.848 58.200 -0.139 0.000 0.957 239 S CB -0.131 62.999 63.200 -0.116 0.000 0.773 239 S HN 0.460 nan 8.310 nan 0.000 0.507 240 L N 1.345 122.460 121.223 -0.179 0.000 2.585 240 L HA 0.173 4.513 4.340 -0.000 0.000 0.226 240 L C 2.677 179.592 176.870 0.076 0.000 1.113 240 L CA 0.303 55.025 54.840 -0.197 0.000 0.876 240 L CB -0.320 41.398 42.059 -0.568 0.000 1.072 240 L HN 0.485 nan 8.230 nan 0.000 0.468 241 Q N -0.508 119.250 119.800 -0.070 0.000 2.291 241 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 241 Q C 1.080 176.959 176.000 -0.203 0.000 0.976 241 Q CA 1.360 57.039 55.803 -0.206 0.000 0.875 241 Q CB -0.231 28.232 28.738 -0.458 0.000 0.927 241 Q HN 0.527 nan 8.270 nan 0.000 0.450 242 H N 0.552 119.690 119.070 0.113 0.000 2.526 242 H HA 0.273 4.829 4.556 -0.000 0.000 0.274 242 H C -0.062 175.392 175.328 0.210 0.000 0.999 242 H CA -0.015 56.100 56.048 0.111 0.000 1.157 242 H CB 0.303 30.092 29.762 0.046 0.000 1.407 242 H HN 0.322 nan 8.280 nan 0.000 0.568 243 E N 1.360 121.814 120.200 0.424 0.000 2.390 243 E HA 0.138 4.488 4.350 -0.000 0.000 0.261 243 E C -0.014 176.895 176.600 0.516 0.000 1.076 243 E CA -0.280 56.371 56.400 0.418 0.000 0.905 243 E CB 2.204 32.155 29.700 0.419 0.000 0.984 243 E HN -0.091 nan 8.360 nan 0.000 0.427 244 V N 2.652 122.759 119.914 0.320 0.000 2.427 244 V HA 0.244 4.364 4.120 -0.000 0.000 0.286 244 V C 0.052 176.222 176.094 0.126 0.000 1.034 244 V CA -0.593 61.863 62.300 0.260 0.000 0.893 244 V CB 1.641 33.559 31.823 0.157 0.000 0.982 244 V HN 0.328 nan 8.190 nan 0.000 0.452 245 V N 3.957 123.921 119.914 0.083 0.000 2.531 245 V HA 0.699 4.819 4.120 -0.000 0.000 0.301 245 V C 0.698 176.777 176.094 -0.026 0.000 1.034 245 V CA -0.267 61.951 62.300 -0.137 0.000 0.865 245 V CB 1.626 33.151 31.823 -0.497 0.000 0.995 245 V HN 0.944 nan 8.190 nan 0.000 0.424 246 G N 3.115 111.880 108.800 -0.058 0.000 2.508 246 G HA2 0.414 4.374 3.960 -0.000 0.000 0.278 246 G HA3 0.414 4.374 3.960 -0.000 0.000 0.278 246 G C -0.043 174.847 174.900 -0.015 0.000 1.389 246 G CA -0.472 44.616 45.100 -0.019 0.000 1.050 246 G HN 0.843 nan 8.290 nan 0.000 0.522 247 Q N -0.552 119.246 119.800 -0.003 0.000 2.454 247 Q HA 0.293 4.633 4.340 -0.000 0.000 0.247 247 Q C -2.359 173.634 176.000 -0.012 0.000 1.028 247 Q CA -1.087 54.722 55.803 0.010 0.000 0.910 247 Q CB -0.229 28.512 28.738 0.005 0.000 1.276 247 Q HN 0.125 nan 8.270 nan 0.000 0.489 248 P HA -0.008 nan 4.420 nan 0.000 0.264 248 P C -1.076 176.212 177.300 -0.020 0.000 1.183 248 P CA 0.410 63.501 63.100 -0.015 0.000 0.763 248 P CB 0.734 32.425 31.700 -0.015 0.000 0.807 249 A N 3.463 126.268 122.820 -0.024 0.000 3.322 249 A HA 0.519 4.839 4.320 -0.000 0.000 0.201 249 A C 0.053 177.652 177.584 0.025 0.000 1.668 249 A CA -0.640 51.390 52.037 -0.011 0.000 0.861 249 A CB -0.080 18.905 19.000 -0.025 0.000 1.769 249 A HN 0.491 nan 8.150 nan 0.000 0.578 250 I N 0.876 121.473 120.570 0.046 0.000 2.452 250 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 250 I C 0.096 176.338 176.117 0.208 0.000 1.079 250 I CA 0.690 62.053 61.300 0.105 0.000 1.387 250 I CB 0.201 38.250 38.000 0.082 0.000 1.404 250 I HN 0.627 nan 8.210 nan 0.000 0.522 251 H N 6.578 125.690 119.070 0.070 0.000 3.108 251 H HA 0.482 5.038 4.556 -0.000 0.000 0.329 251 H C -1.053 174.301 175.328 0.044 0.000 0.978 251 H CA -1.065 55.013 56.048 0.050 0.000 1.413 251 H CB 1.060 30.810 29.762 -0.020 0.000 1.670 251 H HN 0.548 nan 8.280 nan 0.000 0.512 252 R N 3.497 124.082 120.500 0.141 0.000 2.514 252 R HA 0.266 4.606 4.340 -0.000 0.000 0.301 252 R C -1.502 174.637 176.300 -0.269 0.000 0.962 252 R CA -0.529 55.556 56.100 -0.024 0.000 0.882 252 R CB 1.566 31.999 30.300 0.222 0.000 1.143 252 R HN 0.680 nan 8.270 nan 0.000 0.452 253 Q N 3.083 122.687 119.800 -0.328 0.000 2.294 253 Q HA 0.166 4.506 4.340 -0.000 0.000 0.264 253 Q C -1.266 174.622 176.000 -0.187 0.000 0.992 253 Q CA -0.621 54.972 55.803 -0.349 0.000 0.747 253 Q CB 1.535 30.048 28.738 -0.375 0.000 1.262 253 Q HN 0.804 nan 8.270 nan 0.000 0.452 254 E N 2.830 122.914 120.200 -0.194 0.000 2.465 254 E HA -0.120 4.230 4.350 -0.000 0.000 0.260 254 E C -0.850 175.811 176.600 0.101 0.000 0.980 254 E CA 0.050 56.459 56.400 0.016 0.000 0.927 254 E CB 0.482 30.215 29.700 0.055 0.000 0.934 254 E HN 0.578 nan 8.360 nan 0.000 0.459 255 H N 5.179 124.254 119.070 0.009 0.000 2.929 255 H HA 0.134 4.690 4.556 -0.000 0.000 0.317 255 H C -2.087 173.171 175.328 -0.116 0.000 1.031 255 H CA -1.313 54.719 56.048 -0.028 0.000 1.466 255 H CB 0.588 30.326 29.762 -0.041 0.000 1.482 255 H HN 0.372 nan 8.280 nan 0.000 0.561 256 P HA -0.004 nan 4.420 nan 0.000 0.265 256 P C -0.416 176.595 177.300 -0.483 0.000 1.193 256 P CA 0.458 63.013 63.100 -0.908 0.000 0.765 256 P CB 0.458 31.815 31.700 -0.571 0.000 0.823 257 H N 0.956 119.526 119.070 -0.833 0.000 2.548 257 H HA 0.182 4.738 4.556 -0.000 0.000 0.366 257 H C 1.138 176.413 175.328 -0.088 0.000 1.433 257 H CA -0.972 54.953 56.048 -0.206 0.000 1.443 257 H CB 0.580 30.362 29.762 0.033 0.000 1.594 257 H HN 0.400 nan 8.280 nan 0.000 0.608 258 R N 1.355 121.952 120.500 0.161 0.000 2.537 258 R HA 0.083 4.423 4.340 -0.000 0.000 0.280 258 R C -0.465 175.918 176.300 0.139 0.000 1.058 258 R CA -0.287 55.886 56.100 0.121 0.000 1.057 258 R CB 0.539 30.893 30.300 0.090 0.000 0.973 258 R HN 0.323 nan 8.270 nan 0.000 0.438 259 V N 6.008 125.985 119.914 0.105 0.000 2.599 259 V HA 0.111 4.231 4.120 -0.000 0.000 0.300 259 V C -1.915 174.159 176.094 -0.034 0.000 1.034 259 V CA -1.414 60.910 62.300 0.040 0.000 1.115 259 V CB 0.497 32.260 31.823 -0.099 0.000 0.934 259 V HN 0.827 nan 8.190 nan 0.000 0.485 260 P HA 0.085 nan 4.420 nan 0.000 0.268 260 P C 0.914 178.105 177.300 -0.181 0.000 1.205 260 P CA -0.047 63.003 63.100 -0.083 0.000 0.771 260 P CB 0.758 32.371 31.700 -0.146 0.000 0.858 261 V N 2.820 122.699 119.914 -0.058 0.000 2.332 261 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 261 V C 2.332 178.386 176.094 -0.067 0.000 1.055 261 V CA 2.301 64.570 62.300 -0.053 0.000 1.038 261 V CB -1.585 30.251 31.823 0.021 0.000 0.651 261 V HN 0.770 nan 8.190 nan 0.000 0.450 262 H N -0.756 118.308 119.070 -0.011 0.000 2.489 262 H HA -0.066 4.490 4.556 -0.000 0.000 0.293 262 H C 2.128 177.453 175.328 -0.006 0.000 1.066 262 H CA 1.636 57.684 56.048 0.000 0.000 1.305 262 H CB -0.214 29.567 29.762 0.033 0.000 1.386 262 H HN 0.356 nan 8.280 nan 0.000 0.551 263 I N 1.521 121.797 120.570 -0.490 0.000 2.400 263 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 263 I C 2.926 178.903 176.117 -0.233 0.000 1.109 263 I CA 1.003 62.134 61.300 -0.281 0.000 1.425 263 I CB -1.201 36.645 38.000 -0.256 0.000 1.094 263 I HN 0.313 nan 8.210 nan 0.000 0.425 264 A N 0.593 123.176 122.820 -0.395 0.000 1.972 264 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 264 A C 1.935 179.427 177.584 -0.152 0.000 1.169 264 A CA 1.383 53.096 52.037 -0.540 0.000 0.635 264 A CB -0.523 18.116 19.000 -0.601 0.000 0.810 264 A HN 0.514 nan 8.150 nan 0.000 0.446 265 E N -0.921 119.221 120.200 -0.097 0.000 2.463 265 E HA 0.063 4.412 4.350 -0.000 0.000 0.193 265 E C 0.639 177.226 176.600 -0.022 0.000 1.041 265 E CA -0.395 55.985 56.400 -0.033 0.000 0.879 265 E CB 0.127 29.814 29.700 -0.021 0.000 0.997 265 E HN 0.532 nan 8.360 nan 0.000 0.478 266 R N 1.273 121.756 120.500 -0.028 0.000 2.459 266 R HA 0.274 4.614 4.340 -0.000 0.000 0.281 266 R C -0.735 175.557 176.300 -0.012 0.000 1.050 266 R CA -0.259 55.817 56.100 -0.040 0.000 1.055 266 R CB 0.936 31.175 30.300 -0.101 0.000 1.045 266 R HN -0.161 nan 8.270 nan 0.000 0.495 267 V N 3.971 123.873 119.914 -0.019 0.000 2.398 267 V HA 0.305 4.425 4.120 -0.000 0.000 0.286 267 V C 1.039 177.167 176.094 0.057 0.000 1.026 267 V CA -0.178 62.119 62.300 -0.004 0.000 0.868 267 V CB 1.550 33.349 31.823 -0.039 0.000 0.982 267 V HN 1.096 nan 8.190 nan 0.000 0.443 268 G N 3.888 112.745 108.800 0.096 0.000 2.777 268 G HA2 0.148 4.108 3.960 -0.000 0.000 0.211 268 G HA3 0.148 4.108 3.960 -0.000 0.000 0.211 268 G C 0.156 175.216 174.900 0.267 0.000 1.149 268 G CA 0.596 45.805 45.100 0.183 0.000 0.785 268 G HN 0.793 nan 8.290 nan 0.000 0.536 269 Y N -2.025 118.300 120.300 0.042 0.000 2.638 269 Y HA 0.618 5.167 4.550 -0.000 0.000 0.335 269 Y C -1.879 173.923 175.900 -0.164 0.000 1.155 269 Y CA -2.400 55.645 58.100 -0.091 0.000 1.046 269 Y CB 0.870 39.276 38.460 -0.089 0.000 1.303 269 Y HN -0.137 nan 8.280 nan 0.000 0.460 270 D N 1.396 121.580 120.400 -0.360 0.000 2.365 270 D HA 0.236 4.876 4.640 -0.000 0.000 0.237 270 D C 0.615 176.847 176.300 -0.112 0.000 1.190 270 D CA -0.019 53.742 54.000 -0.398 0.000 0.867 270 D CB 1.778 42.217 40.800 -0.601 0.000 1.050 270 D HN 0.537 nan 8.370 nan 0.000 0.491 271 V N 4.338 124.138 119.914 -0.190 0.000 2.307 271 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 271 V C 2.354 178.452 176.094 0.008 0.000 1.045 271 V CA 1.705 63.937 62.300 -0.113 0.000 1.024 271 V CB -0.490 31.209 31.823 -0.207 0.000 0.651 271 V HN 0.675 nan 8.190 nan 0.000 0.449 272 E N 0.396 120.602 120.200 0.011 0.000 2.058 272 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 272 E C 2.222 178.880 176.600 0.095 0.000 0.997 272 E CA 1.607 58.037 56.400 0.049 0.000 0.801 272 E CB -0.212 29.515 29.700 0.045 0.000 0.746 272 E HN 0.552 nan 8.360 nan 0.000 0.450 273 A N 0.164 123.035 122.820 0.085 0.000 1.933 273 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 273 A C 2.347 180.009 177.584 0.129 0.000 1.175 273 A CA 1.925 54.033 52.037 0.118 0.000 0.628 273 A CB -0.776 18.257 19.000 0.055 0.000 0.814 273 A HN 0.330 nan 8.150 nan 0.000 0.444 274 T N 0.398 115.021 114.554 0.115 0.000 2.821 274 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 274 T C 1.782 176.532 174.700 0.083 0.000 1.046 274 T CA 1.375 63.535 62.100 0.099 0.000 1.139 274 T CB -0.336 68.599 68.868 0.112 0.000 0.871 274 T HN 0.379 nan 8.240 nan 0.000 0.454 275 L N -0.019 121.263 121.223 0.100 0.000 2.056 275 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 275 L C 2.544 179.532 176.870 0.197 0.000 1.078 275 L CA 1.535 56.450 54.840 0.125 0.000 0.749 275 L CB -0.651 41.478 42.059 0.116 0.000 0.901 275 L HN 0.443 nan 8.230 nan 0.000 0.433 276 H N 0.093 119.211 119.070 0.080 0.000 2.321 276 H HA -0.225 4.331 4.556 -0.000 0.000 0.300 276 H C 2.430 177.822 175.328 0.107 0.000 1.087 276 H CA 1.443 57.542 56.048 0.084 0.000 1.319 276 H CB 0.336 30.138 29.762 0.067 0.000 1.379 276 H HN 0.038 nan 8.280 nan 0.000 0.501 277 R N 0.839 121.400 120.500 0.103 0.000 2.189 277 R HA -0.080 4.260 4.340 -0.000 0.000 0.223 277 R C 2.208 178.603 176.300 0.158 0.000 1.092 277 R CA 0.728 56.868 56.100 0.068 0.000 0.989 277 R CB -0.717 29.673 30.300 0.150 0.000 0.876 277 R HN 0.370 nan 8.270 nan 0.000 0.457 278 L N -0.088 121.226 121.223 0.153 0.000 2.191 278 L HA 0.039 4.379 4.340 -0.000 0.000 0.212 278 L C 1.507 178.538 176.870 0.268 0.000 1.103 278 L CA 1.730 56.660 54.840 0.150 0.000 0.769 278 L CB -0.162 41.975 42.059 0.130 0.000 0.908 278 L HN 0.279 nan 8.230 nan 0.000 0.438 279 M N -1.419 118.351 119.600 0.283 0.000 2.495 279 M HA 0.090 4.570 4.480 -0.000 0.000 0.237 279 M C 0.308 176.818 176.300 0.350 0.000 1.131 279 M CA 0.279 55.800 55.300 0.367 0.000 1.032 279 M CB 0.117 32.878 32.600 0.270 0.000 1.513 279 M HN 0.214 nan 8.290 nan 0.000 0.488 280 Q N -0.592 119.315 119.800 0.179 0.000 2.241 280 Q HA 0.276 4.616 4.340 -0.000 0.000 0.262 280 Q C -0.278 175.712 176.000 -0.017 0.000 1.014 280 Q CA -0.804 54.996 55.803 -0.006 0.000 0.885 280 Q CB 1.086 29.697 28.738 -0.212 0.000 1.311 280 Q HN 0.224 nan 8.270 nan 0.000 0.461 281 H N -1.284 117.813 119.070 0.045 0.000 2.862 281 H HA -0.174 4.381 4.556 -0.000 0.000 0.290 281 H C -1.215 174.074 175.328 -0.064 0.000 1.211 281 H CA 0.553 56.591 56.048 -0.017 0.000 1.140 281 H CB -1.613 28.109 29.762 -0.068 0.000 1.341 281 H HN 0.543 nan 8.280 nan 0.000 0.392 282 W N 0.740 122.082 121.300 0.071 0.000 2.202 282 W HA 0.366 5.026 4.660 -0.000 0.000 0.332 282 W C 0.687 177.222 176.519 0.027 0.000 1.263 282 W CA 0.502 57.871 57.345 0.041 0.000 1.223 282 W CB 1.016 30.486 29.460 0.016 0.000 1.128 282 W HN -0.033 nan 8.180 nan 0.000 0.573 283 T N 3.034 117.762 114.554 0.290 0.000 2.906 283 T HA 0.207 4.557 4.350 -0.000 0.000 0.295 283 T C -1.942 172.856 174.700 0.165 0.000 1.075 283 T CA -1.215 60.986 62.100 0.169 0.000 1.005 283 T CB 1.804 70.719 68.868 0.079 0.000 1.136 283 T HN 0.028 nan 8.240 nan 0.000 0.498 284 P HA -0.096 nan 4.420 nan 0.000 0.216 284 P C 1.506 178.829 177.300 0.039 0.000 1.150 284 P CA 0.910 64.044 63.100 0.056 0.000 0.843 284 P CB 0.265 31.981 31.700 0.027 0.000 0.787 285 R N -0.017 120.492 120.500 0.015 0.000 2.096 285 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 285 R C 2.320 178.579 176.300 -0.068 0.000 1.127 285 R CA 1.539 57.617 56.100 -0.037 0.000 0.968 285 R CB -0.671 29.592 30.300 -0.062 0.000 0.861 285 R HN 0.172 nan 8.270 nan 0.000 0.440 286 Q N -0.607 119.180 119.800 -0.022 0.000 2.084 286 Q HA -0.130 4.209 4.340 -0.000 0.000 0.202 286 Q C 2.085 178.145 176.000 0.101 0.000 0.978 286 Q CA 1.839 57.623 55.803 -0.032 0.000 0.844 286 Q CB 0.029 28.750 28.738 -0.028 0.000 0.898 286 Q HN 0.199 nan 8.270 nan 0.000 0.426 287 V N 1.058 121.093 119.914 0.202 0.000 2.332 287 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 287 V C 2.157 178.280 176.094 0.047 0.000 1.055 287 V CA 2.173 64.558 62.300 0.140 0.000 1.038 287 V CB -0.568 31.284 31.823 0.048 0.000 0.651 287 V HN 0.426 nan 8.190 nan 0.000 0.450 288 E N -0.222 119.985 120.200 0.012 0.000 2.072 288 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 288 E C 2.131 178.717 176.600 -0.023 0.000 0.985 288 E CA 1.048 57.442 56.400 -0.011 0.000 0.801 288 E CB -0.066 29.619 29.700 -0.024 0.000 0.750 288 E HN 0.355 nan 8.360 nan 0.000 0.452 289 L N 0.925 122.095 121.223 -0.087 0.000 2.265 289 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 289 L C 2.159 179.075 176.870 0.077 0.000 1.117 289 L CA 1.248 56.001 54.840 -0.146 0.000 0.782 289 L CB -0.669 41.070 42.059 -0.534 0.000 0.914 289 L HN 0.290 nan 8.230 nan 0.000 0.441 290 L N -0.948 120.334 121.223 0.098 0.000 2.362 290 L HA -0.144 4.195 4.340 -0.000 0.000 0.219 290 L C 2.245 179.272 176.870 0.262 0.000 1.134 290 L CA 0.411 55.381 54.840 0.217 0.000 0.807 290 L CB -0.388 41.718 42.059 0.078 0.000 0.927 290 L HN 0.251 nan 8.230 nan 0.000 0.447 291 E N 0.291 120.573 120.200 0.137 0.000 2.267 291 E HA -0.177 4.172 4.350 -0.000 0.000 0.197 291 E C 2.164 178.813 176.600 0.081 0.000 0.998 291 E CA 1.002 57.456 56.400 0.089 0.000 0.830 291 E CB -0.098 29.623 29.700 0.035 0.000 0.751 291 E HN 0.559 nan 8.360 nan 0.000 0.491 292 L N -0.341 120.929 121.223 0.078 0.000 2.465 292 L HA -0.007 4.333 4.340 -0.000 0.000 0.224 292 L C 0.704 177.459 176.870 -0.193 0.000 1.145 292 L CA 0.213 54.983 54.840 -0.118 0.000 0.834 292 L CB -0.126 41.752 42.059 -0.301 0.000 0.944 292 L HN -0.061 nan 8.230 nan 0.000 0.451 293 F N -0.474 119.521 119.950 0.074 0.000 2.411 293 F HA 0.257 4.784 4.527 -0.000 0.000 0.324 293 F C 1.302 177.148 175.800 0.076 0.000 1.086 293 F CA -1.170 56.888 58.000 0.096 0.000 1.028 293 F CB 0.610 39.676 39.000 0.110 0.000 1.284 293 F HN -0.196 nan 8.300 nan 0.000 0.501 294 T N -2.510 112.212 114.554 0.280 0.000 2.903 294 T HA 0.049 4.398 4.350 -0.000 0.000 0.314 294 T C 1.068 175.858 174.700 0.151 0.000 1.078 294 T CA -0.287 61.921 62.100 0.180 0.000 1.114 294 T CB 0.688 69.663 68.868 0.179 0.000 0.987 294 T HN 0.633 nan 8.240 nan 0.000 0.548 295 T N 3.355 117.967 114.554 0.097 0.000 2.665 295 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 295 T C -0.718 173.999 174.700 0.027 0.000 1.035 295 T CA 1.758 63.892 62.100 0.056 0.000 1.151 295 T CB -1.383 67.510 68.868 0.041 0.000 0.862 295 T HN 0.613 nan 8.240 nan 0.000 0.438 296 P HA 0.009 nan 4.420 nan 0.000 0.217 296 P C 1.596 178.847 177.300 -0.081 0.000 1.150 296 P CA 0.541 63.658 63.100 0.028 0.000 0.832 296 P CB -0.165 31.612 31.700 0.129 0.000 0.787 297 V N -0.064 119.874 119.914 0.040 0.000 2.379 297 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 297 V C 2.720 178.707 176.094 -0.178 0.000 1.044 297 V CA 1.679 63.973 62.300 -0.010 0.000 1.036 297 V CB -0.947 31.039 31.823 0.271 0.000 0.664 297 V HN 0.048 nan 8.190 nan 0.000 0.453 298 R N 0.196 120.673 120.500 -0.039 0.000 2.073 298 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 298 R C 2.241 178.461 176.300 -0.133 0.000 1.134 298 R CA 1.795 57.873 56.100 -0.036 0.000 0.952 298 R CB -0.166 30.162 30.300 0.046 0.000 0.850 298 R HN 0.424 nan 8.270 nan 0.000 0.433 299 E N -0.396 119.704 120.200 -0.167 0.000 2.152 299 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 299 E C 1.888 178.301 176.600 -0.312 0.000 0.983 299 E CA 1.178 57.464 56.400 -0.189 0.000 0.818 299 E CB -0.334 29.287 29.700 -0.132 0.000 0.758 299 E HN 0.602 nan 8.360 nan 0.000 0.467 300 G N 1.558 109.993 108.800 -0.607 0.000 2.433 300 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 300 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 300 G C 1.628 176.156 174.900 -0.619 0.000 1.186 300 G CA 0.275 44.739 45.100 -1.060 0.000 0.779 300 G HN 0.181 nan 8.290 nan 0.000 0.543 301 L N -0.084 120.860 121.223 -0.465 0.000 2.093 301 L HA 0.038 4.377 4.340 -0.000 0.000 0.208 301 L C 3.140 180.068 176.870 0.096 0.000 1.085 301 L CA 0.988 55.854 54.840 0.045 0.000 0.755 301 L CB -0.344 41.797 42.059 0.136 0.000 0.904 301 L HN 0.237 nan 8.230 nan 0.000 0.435 302 R N -1.057 119.388 120.500 -0.091 0.000 2.120 302 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 302 R C 2.042 178.163 176.300 -0.298 0.000 1.123 302 R CA 1.745 57.689 56.100 -0.260 0.000 0.975 302 R CB -0.317 29.861 30.300 -0.204 0.000 0.866 302 R HN 0.333 nan 8.270 nan 0.000 0.446 303 T N 0.034 114.480 114.554 -0.180 0.000 2.833 303 T HA -0.163 4.186 4.350 -0.000 0.000 0.269 303 T C 1.792 176.440 174.700 -0.087 0.000 1.054 303 T CA 1.107 63.128 62.100 -0.132 0.000 1.135 303 T CB -0.281 68.533 68.868 -0.091 0.000 0.869 303 T HN 0.394 nan 8.240 nan 0.000 0.466 304 C N 1.752 121.058 119.300 0.011 0.000 2.430 304 C HA -0.042 4.418 4.460 -0.000 0.000 0.288 304 C C 2.645 177.682 174.990 0.079 0.000 1.448 304 C CA 0.205 59.322 59.018 0.166 0.000 1.784 304 C CB -1.423 26.571 27.740 0.424 0.000 1.776 304 C HN 0.614 nan 8.230 nan 0.000 0.547 305 Q N 0.010 119.569 119.800 -0.403 0.000 2.224 305 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 305 Q C 2.257 178.132 176.000 -0.209 0.000 0.970 305 Q CA 1.215 56.659 55.803 -0.598 0.000 0.865 305 Q CB 0.001 28.233 28.738 -0.844 0.000 0.922 305 Q HN 0.698 nan 8.270 nan 0.000 0.445 306 R N -0.406 120.013 120.500 -0.134 0.000 2.257 306 R HA 0.151 4.491 4.340 -0.000 0.000 0.195 306 R C 0.013 176.306 176.300 -0.012 0.000 0.921 306 R CA 0.308 56.367 56.100 -0.069 0.000 1.069 306 R CB 0.709 30.958 30.300 -0.085 0.000 1.115 306 R HN 0.057 nan 8.270 nan 0.000 0.571 307 R N -0.584 119.922 120.500 0.010 0.000 2.690 307 R HA 0.360 4.699 4.340 -0.000 0.000 0.269 307 R C -3.241 173.112 176.300 0.088 0.000 1.037 307 R CA -1.983 54.145 56.100 0.046 0.000 0.877 307 R CB 0.195 30.506 30.300 0.017 0.000 1.255 307 R HN -0.265 nan 8.270 nan 0.000 0.467 308 P HA 0.326 nan 4.420 nan 0.000 0.271 308 P C -1.139 176.254 177.300 0.155 0.000 1.220 308 P CA -0.192 63.029 63.100 0.201 0.000 0.768 308 P CB 1.209 33.060 31.700 0.252 0.000 0.848 309 A N 3.100 126.048 122.820 0.212 0.000 2.422 309 A HA 0.740 5.060 4.320 -0.000 0.000 0.302 309 A C -0.479 177.293 177.584 0.314 0.000 1.041 309 A CA -0.495 51.608 52.037 0.109 0.000 0.708 309 A CB 0.550 19.636 19.000 0.144 0.000 1.257 309 A HN 0.569 nan 8.150 nan 0.000 0.414 310 F N -0.233 119.789 119.950 0.120 0.000 3.043 310 F HA 0.244 4.771 4.527 -0.000 0.000 0.400 310 F C 0.816 176.432 175.800 -0.306 0.000 1.022 310 F CA -0.281 57.593 58.000 -0.209 0.000 1.005 310 F CB -0.342 38.546 39.000 -0.187 0.000 1.338 310 F HN 0.364 nan 8.300 nan 0.000 0.543 311 N N 2.156 120.670 118.700 -0.310 0.000 2.258 311 N HA -0.175 4.565 4.740 -0.000 0.000 0.187 311 N C 1.664 177.155 175.510 -0.032 0.000 1.012 311 N CA 2.099 55.068 53.050 -0.135 0.000 0.870 311 N CB -0.656 37.740 38.487 -0.152 0.000 0.977 311 N HN 0.649 nan 8.380 nan 0.000 0.434 312 F N -0.587 119.367 119.950 0.007 0.000 2.293 312 F HA 0.111 4.638 4.527 -0.000 0.000 0.300 312 F C 1.242 177.106 175.800 0.107 0.000 1.086 312 F CA 0.267 58.298 58.000 0.052 0.000 1.375 312 F CB -0.485 38.544 39.000 0.048 0.000 1.045 312 F HN -0.130 nan 8.300 nan 0.000 0.516 313 M N 3.510 122.679 119.600 -0.718 0.000 3.586 313 M HA 0.190 4.669 4.480 -0.000 0.000 0.225 313 M C -0.563 175.682 176.300 -0.092 0.000 1.428 313 M CA -1.276 53.768 55.300 -0.427 0.000 1.613 313 M CB -1.554 30.636 32.600 -0.684 0.000 1.063 313 M HN 0.368 nan 8.290 nan 0.000 0.593 314 D N -0.928 119.503 120.400 0.052 0.000 2.447 314 D HA 0.026 4.666 4.640 -0.000 0.000 0.265 314 D C 0.808 177.247 176.300 0.231 0.000 1.250 314 D CA -0.251 53.817 54.000 0.113 0.000 1.046 314 D CB 0.310 41.181 40.800 0.117 0.000 1.095 314 D HN 0.491 nan 8.370 nan 0.000 0.555 315 E N -1.130 119.227 120.200 0.262 0.000 2.085 315 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 315 E C 1.937 178.815 176.600 0.463 0.000 0.994 315 E CA 1.183 57.805 56.400 0.370 0.000 0.801 315 E CB 0.008 29.861 29.700 0.254 0.000 0.743 315 E HN 0.379 nan 8.360 nan 0.000 0.453 316 M N 0.079 119.881 119.600 0.336 0.000 2.156 316 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 316 M C 2.449 178.923 176.300 0.290 0.000 1.067 316 M CA 1.274 56.758 55.300 0.308 0.000 1.131 316 M CB -0.885 31.850 32.600 0.225 0.000 1.368 316 M HN 0.224 nan 8.290 nan 0.000 0.416 317 A N -0.306 122.692 122.820 0.296 0.000 1.933 317 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 317 A C 2.117 179.926 177.584 0.375 0.000 1.175 317 A CA 1.304 53.531 52.037 0.316 0.000 0.628 317 A CB -1.268 17.930 19.000 0.330 0.000 0.814 317 A HN 0.767 nan 8.150 nan 0.000 0.444 318 W N 0.543 121.961 121.300 0.196 0.000 2.381 318 W HA -0.137 4.523 4.660 -0.000 0.000 0.301 318 W C 2.275 178.892 176.519 0.163 0.000 1.205 318 W CA 1.497 58.957 57.345 0.191 0.000 1.285 318 W CB -0.105 29.478 29.460 0.205 0.000 1.133 318 W HN 0.429 nan 8.180 nan 0.000 0.521 319 A N 0.977 123.841 122.820 0.072 0.000 1.902 319 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 319 A C 2.102 179.636 177.584 -0.083 0.000 1.181 319 A CA 2.446 54.339 52.037 -0.239 0.000 0.623 319 A CB -1.288 17.588 19.000 -0.206 0.000 0.818 319 A HN 0.319 nan 8.150 nan 0.000 0.443 320 A N -1.034 121.842 122.820 0.094 0.000 1.902 320 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 320 A C 2.301 179.963 177.584 0.130 0.000 1.181 320 A CA 2.271 54.401 52.037 0.155 0.000 0.623 320 A CB -1.304 17.802 19.000 0.175 0.000 0.818 320 A HN 0.418 nan 8.150 nan 0.000 0.443 321 T N -1.636 112.995 114.554 0.128 0.000 2.720 321 T HA -0.191 4.158 4.350 -0.000 0.000 0.268 321 T C 1.746 176.408 174.700 -0.064 0.000 1.037 321 T CA 1.724 63.934 62.100 0.183 0.000 1.144 321 T CB -0.443 68.524 68.868 0.166 0.000 0.864 321 T HN 0.545 nan 8.240 nan 0.000 0.444 322 Y N 1.122 121.121 120.300 -0.502 0.000 2.128 322 Y HA -0.250 4.299 4.550 -0.000 0.000 0.284 322 Y C 2.734 178.437 175.900 -0.328 0.000 1.154 322 Y CA 1.653 59.404 58.100 -0.581 0.000 1.149 322 Y CB -0.137 37.835 38.460 -0.814 0.000 0.976 322 Y HN 0.352 nan 8.280 nan 0.000 0.505 323 H N -1.629 117.460 119.070 0.033 0.000 2.423 323 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 323 H C 2.416 177.707 175.328 -0.061 0.000 1.075 323 H CA 1.622 57.664 56.048 -0.010 0.000 1.342 323 H CB -0.442 29.293 29.762 -0.044 0.000 1.395 323 H HN 0.287 nan 8.280 nan 0.000 0.530 324 V N 1.180 121.107 119.914 0.021 0.000 2.358 324 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 324 V C 2.779 178.834 176.094 -0.065 0.000 1.047 324 V CA 1.178 63.420 62.300 -0.096 0.000 1.035 324 V CB -0.599 30.939 31.823 -0.476 0.000 0.658 324 V HN 0.223 nan 8.190 nan 0.000 0.452 325 L N -0.770 120.428 121.223 -0.042 0.000 2.083 325 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 325 L C 2.406 179.310 176.870 0.057 0.000 1.083 325 L CA 1.432 56.238 54.840 -0.056 0.000 0.752 325 L CB -0.527 41.273 42.059 -0.432 0.000 0.899 325 L HN 0.288 nan 8.230 nan 0.000 0.433 326 L N -0.473 120.792 121.223 0.070 0.000 2.079 326 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 326 L C 2.636 179.454 176.870 -0.087 0.000 1.081 326 L CA 1.461 56.307 54.840 0.009 0.000 0.752 326 L CB -0.378 41.665 42.059 -0.026 0.000 0.896 326 L HN 0.360 nan 8.230 nan 0.000 0.433 327 E N -0.837 119.268 120.200 -0.158 0.000 2.076 327 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 327 E C 1.654 177.997 176.600 -0.429 0.000 0.979 327 E CA 1.148 57.343 56.400 -0.341 0.000 0.807 327 E CB 0.173 29.549 29.700 -0.541 0.000 0.761 327 E HN 0.616 nan 8.360 nan 0.000 0.454 328 H N -2.022 116.925 119.070 -0.206 0.000 2.885 328 H HA 0.150 4.706 4.556 -0.000 0.000 0.260 328 H C -0.286 174.475 175.328 -0.945 0.000 0.985 328 H CA -0.482 55.349 56.048 -0.361 0.000 1.210 328 H CB 0.424 30.076 29.762 -0.184 0.000 1.466 328 H HN 0.041 nan 8.280 nan 0.000 0.493 329 F N 3.076 122.455 119.950 -0.952 0.000 2.578 329 F HA 0.044 4.571 4.527 -0.000 0.000 0.376 329 F C -0.121 175.241 175.800 -0.730 0.000 1.085 329 F CA 0.088 57.385 58.000 -1.171 0.000 1.260 329 F CB 0.515 39.271 39.000 -0.406 0.000 1.095 329 F HN 0.051 nan 8.300 nan 0.000 0.573 330 Q N 8.103 127.020 119.800 -1.472 0.000 2.381 330 Q HA 0.313 4.652 4.340 -0.000 0.000 0.263 330 Q C -2.391 173.074 176.000 -0.891 0.000 1.030 330 Q CA -2.194 53.123 55.803 -0.809 0.000 0.772 330 Q CB 1.364 29.865 28.738 -0.395 0.000 1.232 330 Q HN 0.413 nan 8.270 nan 0.000 0.476 331 P HA -0.037 nan 4.420 nan 0.000 0.266 331 P C 0.817 178.020 177.300 -0.161 0.000 1.195 331 P CA 0.922 63.866 63.100 -0.261 0.000 0.768 331 P CB 0.716 32.432 31.700 0.027 0.000 0.838 332 G N 2.068 110.818 108.800 -0.082 0.000 2.241 332 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 332 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 332 G C 0.114 174.991 174.900 -0.038 0.000 0.998 332 G CA 0.216 45.290 45.100 -0.044 0.000 0.621 332 G HN 0.664 nan 8.290 nan 0.000 0.519 333 D N 1.470 121.836 120.400 -0.057 0.000 2.339 333 D HA 0.515 5.155 4.640 -0.000 0.000 0.256 333 D C -0.191 176.125 176.300 0.028 0.000 1.214 333 D CA -1.504 52.504 54.000 0.013 0.000 0.877 333 D CB 1.244 42.111 40.800 0.112 0.000 1.111 333 D HN 0.091 nan 8.370 nan 0.000 0.478 334 P HA -0.139 nan 4.420 nan 0.000 0.216 334 P C 0.571 177.870 177.300 -0.001 0.000 1.150 334 P CA 0.935 64.034 63.100 -0.002 0.000 0.837 334 P CB 0.256 31.943 31.700 -0.021 0.000 0.786 335 D N -1.744 118.641 120.400 -0.025 0.000 2.149 335 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 335 D C 2.052 178.301 176.300 -0.085 0.000 0.972 335 D CA 0.951 54.895 54.000 -0.092 0.000 0.835 335 D CB -0.627 40.076 40.800 -0.162 0.000 0.966 335 D HN 0.270 nan 8.370 nan 0.000 0.476 336 W N 1.896 123.183 121.300 -0.022 0.000 2.381 336 W HA -0.080 4.580 4.660 -0.000 0.000 0.301 336 W C 2.498 179.132 176.519 0.192 0.000 1.205 336 W CA 0.548 57.904 57.345 0.019 0.000 1.285 336 W CB 0.010 29.319 29.460 -0.252 0.000 1.133 336 W HN 0.001 nan 8.180 nan 0.000 0.521 337 E N -0.097 120.317 120.200 0.357 0.000 2.077 337 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 337 E C 1.820 178.575 176.600 0.259 0.000 0.989 337 E CA 1.441 58.071 56.400 0.383 0.000 0.800 337 E CB -0.200 29.619 29.700 0.198 0.000 0.746 337 E HN 0.143 nan 8.360 nan 0.000 0.452 338 E N 1.030 121.308 120.200 0.130 0.000 2.106 338 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 338 E C 1.889 178.522 176.600 0.054 0.000 0.984 338 E CA 0.527 56.968 56.400 0.068 0.000 0.806 338 E CB -0.152 29.517 29.700 -0.051 0.000 0.750 338 E HN 0.099 nan 8.360 nan 0.000 0.458 339 L N 0.016 121.253 121.223 0.022 0.000 2.046 339 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 339 L C 2.269 179.182 176.870 0.072 0.000 1.077 339 L CA 1.417 56.237 54.840 -0.033 0.000 0.747 339 L CB -0.716 41.299 42.059 -0.074 0.000 0.896 339 L HN 0.348 nan 8.230 nan 0.000 0.432 340 L N -1.151 120.195 121.223 0.205 0.000 2.012 340 L HA -0.256 4.083 4.340 -0.000 0.000 0.210 340 L C 2.332 179.273 176.870 0.117 0.000 1.073 340 L CA 2.013 56.893 54.840 0.067 0.000 0.748 340 L CB -1.014 40.964 42.059 -0.136 0.000 0.891 340 L HN 0.359 nan 8.230 nan 0.000 0.431 341 F N 0.267 120.242 119.950 0.042 0.000 2.126 341 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 341 F C 2.323 178.202 175.800 0.131 0.000 1.096 341 F CA 1.955 60.012 58.000 0.094 0.000 1.255 341 F CB -0.138 38.885 39.000 0.038 0.000 0.997 341 F HN 0.043 nan 8.300 nan 0.000 0.479 342 K N 0.302 120.619 120.400 -0.137 0.000 2.057 342 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 342 K C 2.030 178.565 176.600 -0.110 0.000 1.050 342 K CA 1.585 57.737 56.287 -0.224 0.000 0.935 342 K CB -0.315 32.076 32.500 -0.181 0.000 0.715 342 K HN 0.343 nan 8.250 nan 0.000 0.439 343 L N -0.626 120.603 121.223 0.010 0.000 2.017 343 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 343 L C 2.394 179.368 176.870 0.172 0.000 1.073 343 L CA 1.321 56.251 54.840 0.150 0.000 0.745 343 L CB -0.512 41.656 42.059 0.182 0.000 0.894 343 L HN 0.350 nan 8.230 nan 0.000 0.432 344 W N 0.857 122.129 121.300 -0.048 0.000 2.338 344 W HA -0.221 4.439 4.660 -0.000 0.000 0.304 344 W C 2.498 178.748 176.519 -0.448 0.000 1.212 344 W CA 2.099 59.276 57.345 -0.280 0.000 1.264 344 W CB -0.454 28.919 29.460 -0.146 0.000 1.142 344 W HN -0.024 nan 8.180 nan 0.000 0.512 345 T N -0.050 114.200 114.554 -0.506 0.000 2.684 345 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 345 T C 1.818 176.182 174.700 -0.561 0.000 1.036 345 T CA 2.997 64.662 62.100 -0.726 0.000 1.148 345 T CB -0.969 67.497 68.868 -0.669 0.000 0.863 345 T HN 0.431 nan 8.240 nan 0.000 0.436 346 T N 0.682 115.033 114.554 -0.339 0.000 2.788 346 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 346 T C 2.014 176.476 174.700 -0.396 0.000 1.044 346 T CA 1.204 63.152 62.100 -0.254 0.000 1.139 346 T CB -0.256 68.543 68.868 -0.115 0.000 0.867 346 T HN 0.145 nan 8.240 nan 0.000 0.454 347 R N 1.275 121.463 120.500 -0.520 0.000 2.081 347 R HA 0.060 4.400 4.340 -0.000 0.000 0.235 347 R C 2.293 178.235 176.300 -0.596 0.000 1.131 347 R CA 1.473 57.194 56.100 -0.633 0.000 0.960 347 R CB -1.304 28.271 30.300 -1.207 0.000 0.856 347 R HN 0.396 nan 8.270 nan 0.000 0.436 348 V N 0.771 120.220 119.914 -0.776 0.000 2.343 348 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 348 V C 2.349 178.192 176.094 -0.419 0.000 1.051 348 V CA 1.836 63.731 62.300 -0.674 0.000 1.036 348 V CB -0.457 30.710 31.823 -1.093 0.000 0.654 348 V HN 0.273 nan 8.190 nan 0.000 0.451 349 L N 0.336 121.246 121.223 -0.521 0.000 2.046 349 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 349 L C 2.582 179.119 176.870 -0.556 0.000 1.077 349 L CA 1.835 56.300 54.840 -0.627 0.000 0.747 349 L CB -0.779 40.668 42.059 -1.020 0.000 0.896 349 L HN 0.445 nan 8.230 nan 0.000 0.432 350 N N 0.114 118.628 118.700 -0.309 0.000 2.069 350 N HA -0.296 4.444 4.740 -0.000 0.000 0.191 350 N C 2.091 177.523 175.510 -0.130 0.000 1.031 350 N CA 1.926 54.938 53.050 -0.064 0.000 0.852 350 N CB -0.193 38.249 38.487 -0.075 0.000 1.018 350 N HN 0.393 nan 8.380 nan 0.000 0.423 351 Y N 1.638 121.769 120.300 -0.282 0.000 2.224 351 Y HA -0.130 4.420 4.550 -0.000 0.000 0.289 351 Y C 2.377 178.122 175.900 -0.258 0.000 1.146 351 Y CA 2.101 60.020 58.100 -0.302 0.000 1.182 351 Y CB -0.749 37.526 38.460 -0.307 0.000 0.983 351 Y HN -0.008 nan 8.280 nan 0.000 0.524 352 T N 1.113 115.454 114.554 -0.354 0.000 2.708 352 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 352 T C 1.708 176.194 174.700 -0.358 0.000 1.037 352 T CA 1.952 63.827 62.100 -0.375 0.000 1.146 352 T CB -0.176 68.613 68.868 -0.131 0.000 0.865 352 T HN 0.291 nan 8.240 nan 0.000 0.435 353 M N 1.464 120.908 119.600 -0.260 0.000 2.388 353 M HA 0.084 4.564 4.480 -0.000 0.000 0.265 353 M C 2.511 178.700 176.300 -0.186 0.000 1.088 353 M CA 1.154 56.356 55.300 -0.163 0.000 1.134 353 M CB -1.684 30.914 32.600 -0.003 0.000 1.384 353 M HN 0.427 nan 8.290 nan 0.000 0.447 354 T N -3.307 111.109 114.554 -0.230 0.000 3.037 354 T HA 0.223 4.573 4.350 -0.000 0.000 0.251 354 T C 1.563 176.053 174.700 -0.350 0.000 1.079 354 T CA 0.289 62.246 62.100 -0.239 0.000 1.067 354 T CB 0.037 68.801 68.868 -0.174 0.000 0.948 354 T HN 0.103 nan 8.240 nan 0.000 0.496 355 V N 0.611 120.233 119.914 -0.488 0.000 3.278 355 V HA 0.474 4.594 4.120 -0.000 0.000 0.215 355 V C 2.933 178.751 176.094 -0.460 0.000 1.287 355 V CA 0.427 62.430 62.300 -0.495 0.000 1.302 355 V CB -0.760 30.598 31.823 -0.775 0.000 1.228 355 V HN 0.422 nan 8.190 nan 0.000 0.523 356 A N 0.153 122.548 122.820 -0.708 0.000 1.972 356 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 356 A C 2.026 179.461 177.584 -0.249 0.000 1.169 356 A CA 1.953 53.721 52.037 -0.449 0.000 0.635 356 A CB -0.536 18.184 19.000 -0.467 0.000 0.810 356 A HN 0.403 nan 8.150 nan 0.000 0.446 357 L N -0.071 120.991 121.223 -0.268 0.000 2.362 357 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 357 L C 2.047 178.807 176.870 -0.185 0.000 1.134 357 L CA 1.338 56.062 54.840 -0.192 0.000 0.807 357 L CB -0.606 41.341 42.059 -0.187 0.000 0.927 357 L HN 0.352 nan 8.230 nan 0.000 0.447 358 R N -0.303 120.049 120.500 -0.247 0.000 2.313 358 R HA 0.366 4.705 4.340 -0.000 0.000 0.199 358 R C 0.612 176.843 176.300 -0.114 0.000 0.958 358 R CA 0.532 56.466 56.100 -0.277 0.000 1.047 358 R CB -0.135 29.775 30.300 -0.650 0.000 0.955 358 R HN 0.420 nan 8.270 nan 0.000 0.481 359 G N -0.125 108.649 108.800 -0.043 0.000 2.515 359 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.686 359 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.686 359 G C -0.290 174.679 174.900 0.115 0.000 1.274 359 G CA -0.514 44.617 45.100 0.051 0.000 0.874 359 G HN 0.156 nan 8.290 nan 0.000 0.631 360 Y N 0.342 120.667 120.300 0.041 0.000 2.181 360 Y HA -0.105 4.445 4.550 -0.000 0.000 0.288 360 Y C 2.527 178.479 175.900 0.086 0.000 1.146 360 Y CA 2.674 60.810 58.100 0.060 0.000 1.164 360 Y CB 0.164 38.656 38.460 0.055 0.000 0.982 360 Y HN 0.578 nan 8.280 nan 0.000 0.515 361 D N -1.012 119.491 120.400 0.170 0.000 2.144 361 D HA -0.228 4.412 4.640 -0.000 0.000 0.200 361 D C 1.853 178.175 176.300 0.035 0.000 0.978 361 D CA 1.448 55.505 54.000 0.095 0.000 0.833 361 D CB -0.726 40.157 40.800 0.137 0.000 0.961 361 D HN 0.474 nan 8.370 nan 0.000 0.470 362 Y N 1.780 122.064 120.300 -0.027 0.000 2.181 362 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 362 Y C 2.343 178.216 175.900 -0.045 0.000 1.146 362 Y CA 1.789 59.870 58.100 -0.032 0.000 1.164 362 Y CB -0.128 38.302 38.460 -0.049 0.000 0.982 362 Y HN -0.057 nan 8.280 nan 0.000 0.515 363 A N -0.114 122.735 122.820 0.048 0.000 1.898 363 A HA -0.192 4.127 4.320 -0.000 0.000 0.216 363 A C 2.079 179.587 177.584 -0.127 0.000 1.181 363 A CA 1.621 53.642 52.037 -0.027 0.000 0.620 363 A CB -0.543 18.402 19.000 -0.092 0.000 0.819 363 A HN 0.502 nan 8.150 nan 0.000 0.442 364 Q N -0.141 119.524 119.800 -0.225 0.000 2.050 364 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 364 Q C 2.279 178.282 176.000 0.004 0.000 0.980 364 Q CA 2.103 57.827 55.803 -0.131 0.000 0.840 364 Q CB -0.598 28.076 28.738 -0.106 0.000 0.898 364 Q HN 0.976 nan 8.270 nan 0.000 0.424 365 Q N -0.475 119.280 119.800 -0.075 0.000 2.084 365 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 365 Q C 1.931 177.834 176.000 -0.160 0.000 0.978 365 Q CA 1.679 57.427 55.803 -0.093 0.000 0.844 365 Q CB -1.141 27.502 28.738 -0.159 0.000 0.898 365 Q HN 0.424 nan 8.270 nan 0.000 0.426 366 Y N 0.882 120.977 120.300 -0.341 0.000 2.128 366 Y HA -0.177 4.373 4.550 -0.000 0.000 0.284 366 Y C 1.770 177.495 175.900 -0.293 0.000 1.154 366 Y CA 1.887 59.795 58.100 -0.320 0.000 1.149 366 Y CB -0.134 38.163 38.460 -0.272 0.000 0.976 366 Y HN 0.146 nan 8.280 nan 0.000 0.505 367 L N -1.365 119.609 121.223 -0.415 0.000 2.027 367 L HA -0.246 4.093 4.340 -0.000 0.000 0.206 367 L C 2.209 178.675 176.870 -0.673 0.000 1.074 367 L CA 1.477 55.814 54.840 -0.838 0.000 0.745 367 L CB -0.801 40.244 42.059 -1.690 0.000 0.898 367 L HN 0.239 nan 8.230 nan 0.000 0.433 368 Y N -0.111 119.995 120.300 -0.324 0.000 2.242 368 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 368 Y C 2.734 178.530 175.900 -0.173 0.000 1.137 368 Y CA 1.194 59.249 58.100 -0.075 0.000 1.181 368 Y CB -0.246 38.217 38.460 0.005 0.000 0.989 368 Y HN 0.019 nan 8.280 nan 0.000 0.527 369 R N -0.564 119.852 120.500 -0.139 0.000 2.153 369 R HA -0.107 4.233 4.340 -0.000 0.000 0.218 369 R C 2.323 178.413 176.300 -0.351 0.000 1.072 369 R CA 1.107 57.083 56.100 -0.206 0.000 0.990 369 R CB -0.292 29.882 30.300 -0.211 0.000 0.889 369 R HN 0.399 nan 8.270 nan 0.000 0.452 370 M N 0.971 120.223 119.600 -0.579 0.000 2.080 370 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 370 M C 1.842 177.806 176.300 -0.560 0.000 1.068 370 M CA 1.778 56.643 55.300 -0.724 0.000 1.109 370 M CB -0.047 32.015 32.600 -0.896 0.000 1.342 370 M HN 0.158 nan 8.290 nan 0.000 0.405 371 L N -0.251 120.794 121.223 -0.297 0.000 2.046 371 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 371 L C 2.688 179.479 176.870 -0.131 0.000 1.077 371 L CA 1.385 56.144 54.840 -0.136 0.000 0.747 371 L CB -1.466 40.530 42.059 -0.106 0.000 0.896 371 L HN 0.516 nan 8.230 nan 0.000 0.432 372 G N -0.235 108.479 108.800 -0.145 0.000 2.418 372 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 372 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 372 G C 1.763 176.661 174.900 -0.003 0.000 1.158 372 G CA 0.438 45.501 45.100 -0.061 0.000 0.771 372 G HN 0.280 nan 8.290 nan 0.000 0.545 373 R N -0.883 119.571 120.500 -0.077 0.000 2.075 373 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 373 R C 2.351 178.741 176.300 0.149 0.000 1.126 373 R CA 1.188 57.286 56.100 -0.003 0.000 0.963 373 R CB -0.472 29.755 30.300 -0.122 0.000 0.858 373 R HN 0.542 nan 8.270 nan 0.000 0.435 374 Y N 0.279 120.589 120.300 0.017 0.000 2.181 374 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 374 Y C 2.637 178.543 175.900 0.009 0.000 1.146 374 Y CA 0.730 58.836 58.100 0.009 0.000 1.164 374 Y CB 0.014 38.454 38.460 -0.034 0.000 0.982 374 Y HN 0.050 nan 8.280 nan 0.000 0.515 375 R N -0.835 119.763 120.500 0.163 0.000 2.075 375 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 375 R C 2.133 178.484 176.300 0.085 0.000 1.126 375 R CA 1.772 57.919 56.100 0.078 0.000 0.963 375 R CB -0.665 29.663 30.300 0.047 0.000 0.858 375 R HN 0.400 nan 8.270 nan 0.000 0.435 376 Y N 1.797 122.109 120.300 0.021 0.000 2.145 376 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 376 Y C 2.273 178.197 175.900 0.039 0.000 1.145 376 Y CA 1.725 59.840 58.100 0.026 0.000 1.148 376 Y CB 0.028 38.510 38.460 0.036 0.000 0.981 376 Y HN 0.048 nan 8.280 nan 0.000 0.507 377 Q N -0.061 119.800 119.800 0.102 0.000 2.084 377 Q HA -0.188 4.151 4.340 -0.000 0.000 0.202 377 Q C 2.519 178.500 176.000 -0.032 0.000 0.978 377 Q CA 1.681 57.499 55.803 0.025 0.000 0.844 377 Q CB -0.395 28.432 28.738 0.149 0.000 0.898 377 Q HN 0.625 nan 8.270 nan 0.000 0.426 378 A N 0.735 123.556 122.820 0.001 0.000 1.933 378 A HA -0.118 4.201 4.320 -0.000 0.000 0.218 378 A C 2.223 179.779 177.584 -0.047 0.000 1.175 378 A CA 1.611 53.634 52.037 -0.024 0.000 0.628 378 A CB -0.771 18.219 19.000 -0.016 0.000 0.814 378 A HN 0.404 nan 8.150 nan 0.000 0.444 379 A N -1.106 121.671 122.820 -0.073 0.000 2.014 379 A HA 0.148 4.468 4.320 -0.000 0.000 0.218 379 A C 1.989 179.542 177.584 -0.051 0.000 1.163 379 A CA 1.136 53.155 52.037 -0.029 0.000 0.652 379 A CB -0.254 18.703 19.000 -0.071 0.000 0.808 379 A HN 0.396 nan 8.150 nan 0.000 0.449 380 L N -0.000 121.128 121.223 -0.159 0.000 2.249 380 L HA 0.040 4.379 4.340 -0.000 0.000 0.207 380 L C 1.555 178.369 176.870 -0.094 0.000 1.090 380 L CA 0.942 55.678 54.840 -0.173 0.000 0.802 380 L CB -0.811 41.050 42.059 -0.329 0.000 0.947 380 L HN 0.721 nan 8.230 nan 0.000 0.453 381 E N 0.000 120.153 120.200 -0.078 0.000 2.725 381 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 381 E CA 0.000 56.365 56.400 -0.059 0.000 0.976 381 E CB 0.000 29.662 29.700 -0.064 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440