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 2f29_1_B DATA FIRST_RESID 1 DATA SEQUENCE MASLPVLQKE SVFQSGAHAY RIPALLYLPG QQSLLAFAEQ RASKKDEHAE DATA SEQUENCE LIVLRRGDYD APTHQVQWQA QEVVAQARLD GHRSMNPCPL YDAQTGTLFL DATA SEQUENCE FFIAIPGQVT EQQQLETRAN VTRLCQVTST DHGRTWSSPR DLTDAAIGPA DATA SEQUENCE YREWSTFAVG PGHCLQLNDR ARSLVVPAYA YRKLHPIQRP IPSAFCFLSH DATA SEQUENCE DHGRTWARGH FVAQDTLECQ VAEVEXXXQR VVTLNARSHL RARVQAQSTN DATA SEQUENCE DGLDFQESQL VKKLVEPPPQ GCQGSVISFP SPRXXXXSPA QWLLYTHPTH DATA SEQUENCE SWQRADLGAY LNPRPPAPEA WSEPVLLAKG SCAYSDLQSM GTGPDGSPLF DATA SEQUENCE GCLYEANDYE EIVFLMFTLK QAFPAEY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 A N 0.491 123.285 122.820 -0.043 0.000 2.294 2 A HA 0.865 5.185 4.320 -0.000 0.000 0.330 2 A C 0.201 177.745 177.584 -0.067 0.000 1.133 2 A CA -0.245 51.765 52.037 -0.045 0.000 0.836 2 A CB 0.662 19.640 19.000 -0.038 0.000 1.190 2 A HN 0.326 nan 8.150 nan 0.000 0.492 3 S N -0.557 115.103 115.700 -0.067 0.000 2.598 3 S HA 0.276 4.746 4.470 -0.000 0.000 0.256 3 S C 0.163 174.696 174.600 -0.113 0.000 1.350 3 S CA -0.289 57.853 58.200 -0.097 0.000 0.984 3 S CB 0.185 63.337 63.200 -0.079 0.000 0.930 3 S HN 0.761 nan 8.310 nan 0.000 0.577 4 L N 3.755 124.881 121.223 -0.162 0.000 2.367 4 L HA 0.358 4.697 4.340 -0.000 0.000 0.275 4 L C -2.225 174.569 176.870 -0.127 0.000 1.129 4 L CA -1.552 53.180 54.840 -0.181 0.000 0.839 4 L CB 0.047 41.926 42.059 -0.299 0.000 1.133 4 L HN 0.306 nan 8.230 nan 0.000 0.453 5 P HA 0.167 nan 4.420 nan 0.000 0.276 5 P C -0.873 176.414 177.300 -0.022 0.000 1.264 5 P CA -0.131 62.945 63.100 -0.040 0.000 0.769 5 P CB 0.859 32.543 31.700 -0.026 0.000 0.840 6 V N 1.481 121.404 119.914 0.014 0.000 3.103 6 V HA 0.335 4.455 4.120 -0.000 0.000 0.318 6 V C 1.693 177.862 176.094 0.124 0.000 1.114 6 V CA -0.919 61.433 62.300 0.087 0.000 1.020 6 V CB 1.247 33.141 31.823 0.117 0.000 1.085 6 V HN 0.291 nan 8.190 nan 0.000 0.446 7 L N -0.313 121.017 121.223 0.179 0.000 2.083 7 L HA 0.043 4.383 4.340 -0.000 0.000 0.209 7 L C 1.262 178.226 176.870 0.157 0.000 1.083 7 L CA 1.853 56.811 54.840 0.197 0.000 0.752 7 L CB -0.143 42.071 42.059 0.258 0.000 0.899 7 L HN 0.933 nan 8.230 nan 0.000 0.433 8 Q N -0.689 119.205 119.800 0.157 0.000 2.386 8 Q HA 0.315 4.655 4.340 -0.000 0.000 0.274 8 Q C -1.300 174.788 176.000 0.147 0.000 1.011 8 Q CA -0.690 55.208 55.803 0.158 0.000 0.867 8 Q CB 1.940 30.818 28.738 0.234 0.000 1.409 8 Q HN -0.067 nan 8.270 nan 0.000 0.395 9 K N 2.638 123.125 120.400 0.146 0.000 2.740 9 K HA 0.319 4.639 4.320 -0.000 0.000 0.246 9 K C -1.915 174.762 176.600 0.128 0.000 1.021 9 K CA -0.210 56.155 56.287 0.130 0.000 1.021 9 K CB 1.167 33.725 32.500 0.098 0.000 1.233 9 K HN 0.627 nan 8.250 nan 0.000 0.497 10 E N 1.935 122.235 120.200 0.167 0.000 2.314 10 E HA 0.361 4.711 4.350 -0.000 0.000 0.272 10 E C -1.272 175.333 176.600 0.009 0.000 0.884 10 E CA -0.800 55.660 56.400 0.100 0.000 0.753 10 E CB 1.867 31.655 29.700 0.146 0.000 1.213 10 E HN 0.267 nan 8.360 nan 0.000 0.432 11 S N 2.062 117.730 115.700 -0.052 0.000 2.510 11 S HA 0.121 4.591 4.470 -0.000 0.000 0.279 11 S C 0.839 175.303 174.600 -0.227 0.000 1.284 11 S CA -0.116 58.012 58.200 -0.121 0.000 1.059 11 S CB 1.123 64.271 63.200 -0.085 0.000 0.901 11 S HN 0.588 nan 8.310 nan 0.000 0.491 12 V N 1.014 120.712 119.914 -0.360 0.000 3.523 12 V HA 0.539 4.659 4.120 -0.000 0.000 0.255 12 V C -0.298 175.300 176.094 -0.826 0.000 1.226 12 V CA 0.357 62.242 62.300 -0.692 0.000 1.092 12 V CB -0.291 30.874 31.823 -1.097 0.000 0.817 12 V HN 0.558 nan 8.190 nan 0.000 0.458 13 F N 0.594 120.360 119.950 -0.306 0.000 2.578 13 F HA 0.811 5.338 4.527 -0.000 0.000 0.311 13 F C -0.198 175.460 175.800 -0.237 0.000 1.094 13 F CA -0.740 57.042 58.000 -0.363 0.000 0.923 13 F CB 2.302 41.096 39.000 -0.344 0.000 1.230 13 F HN 0.009 nan 8.300 nan 0.000 0.450 14 Q N 0.831 120.611 119.800 -0.033 0.000 2.379 14 Q HA 0.520 4.860 4.340 -0.000 0.000 0.278 14 Q C -0.907 175.202 176.000 0.182 0.000 1.068 14 Q CA -1.121 54.715 55.803 0.056 0.000 0.816 14 Q CB 2.825 31.572 28.738 0.015 0.000 1.387 14 Q HN 0.743 nan 8.270 nan 0.000 0.413 15 S N -0.204 115.639 115.700 0.239 0.000 2.600 15 S HA 0.788 5.258 4.470 -0.000 0.000 0.265 15 S C 0.381 175.109 174.600 0.213 0.000 1.325 15 S CA 0.463 58.847 58.200 0.307 0.000 1.002 15 S CB 1.384 64.697 63.200 0.189 0.000 0.921 15 S HN 0.877 nan 8.310 nan 0.000 0.554 16 G N 0.078 109.000 108.800 0.204 0.000 3.307 16 G HA2 0.460 4.420 3.960 -0.000 0.000 0.147 16 G HA3 0.460 4.420 3.960 -0.000 0.000 0.147 16 G C 0.755 175.686 174.900 0.051 0.000 1.183 16 G CA 0.136 45.308 45.100 0.120 0.000 1.485 16 G HN 1.173 nan 8.290 nan 0.000 0.726 17 A N -0.355 122.484 122.820 0.031 0.000 2.167 17 A HA 0.425 4.745 4.320 -0.000 0.000 0.214 17 A C 0.949 178.292 177.584 -0.401 0.000 1.151 17 A CA 0.970 52.911 52.037 -0.161 0.000 0.735 17 A CB -0.372 18.533 19.000 -0.159 0.000 0.802 17 A HN 0.487 nan 8.150 nan 0.000 0.467 18 H N -2.440 116.638 119.070 0.014 0.000 2.941 18 H HA 0.676 5.232 4.556 -0.000 0.000 0.344 18 H C -0.732 174.473 175.328 -0.206 0.000 1.235 18 H CA -0.229 55.721 56.048 -0.163 0.000 1.149 18 H CB 1.732 31.288 29.762 -0.344 0.000 1.885 18 H HN 0.185 nan 8.280 nan 0.000 0.558 19 A N 1.109 123.791 122.820 -0.229 0.000 2.342 19 A HA 0.634 4.954 4.320 -0.000 0.000 0.323 19 A C -1.709 175.577 177.584 -0.496 0.000 1.125 19 A CA -0.509 51.419 52.037 -0.182 0.000 0.785 19 A CB 0.692 19.646 19.000 -0.077 0.000 1.221 19 A HN 0.511 nan 8.150 nan 0.000 0.463 20 Y N 1.103 121.386 120.300 -0.029 0.000 2.376 20 Y HA 0.726 5.276 4.550 -0.000 0.000 0.340 20 Y C 0.644 176.474 175.900 -0.116 0.000 0.965 20 Y CA -0.405 57.611 58.100 -0.140 0.000 1.078 20 Y CB 2.015 40.335 38.460 -0.232 0.000 1.193 20 Y HN 0.766 nan 8.280 nan 0.000 0.452 21 R N 1.902 122.367 120.500 -0.058 0.000 2.766 21 R HA 0.548 4.887 4.340 -0.000 0.000 0.270 21 R C -1.418 174.836 176.300 -0.077 0.000 1.035 21 R CA -1.158 54.903 56.100 -0.066 0.000 0.911 21 R CB 2.013 32.215 30.300 -0.162 0.000 1.243 21 R HN 0.632 nan 8.270 nan 0.000 0.460 22 I N 0.270 120.801 120.570 -0.065 0.000 6.963 22 I HA -0.135 4.035 4.170 -0.000 0.000 0.126 22 I C -2.320 173.872 176.117 0.125 0.000 1.830 22 I CA -0.147 61.173 61.300 0.034 0.000 2.046 22 I CB -2.060 35.941 38.000 0.002 0.000 3.568 22 I HN 0.504 nan 8.210 nan 0.000 0.172 23 P HA 0.483 nan 4.420 nan 0.000 0.274 23 P C -0.376 177.099 177.300 0.291 0.000 1.231 23 P CA -0.106 63.127 63.100 0.221 0.000 0.790 23 P CB 2.045 33.885 31.700 0.233 0.000 0.951 24 A N 2.712 125.743 122.820 0.350 0.000 2.427 24 A HA 0.621 4.941 4.320 -0.000 0.000 0.298 24 A C -1.560 176.315 177.584 0.485 0.000 1.036 24 A CA -0.612 51.664 52.037 0.399 0.000 0.701 24 A CB 1.054 20.264 19.000 0.351 0.000 1.250 24 A HN 0.494 nan 8.150 nan 0.000 0.412 25 L N 2.080 123.560 121.223 0.428 0.000 2.365 25 L HA 0.886 5.226 4.340 -0.000 0.000 0.273 25 L C -1.354 175.756 176.870 0.400 0.000 1.000 25 L CA -0.701 54.391 54.840 0.420 0.000 0.819 25 L CB 1.790 44.065 42.059 0.359 0.000 1.284 25 L HN 0.722 nan 8.230 nan 0.000 0.418 26 L N 4.471 125.959 121.223 0.440 0.000 2.476 26 L HA 0.456 4.795 4.340 -0.000 0.000 0.269 26 L C -1.828 175.256 176.870 0.357 0.000 0.965 26 L CA -0.328 54.758 54.840 0.410 0.000 0.845 26 L CB 1.527 43.880 42.059 0.491 0.000 1.259 26 L HN 0.589 nan 8.230 nan 0.000 0.403 27 Y N 5.386 125.787 120.300 0.167 0.000 2.313 27 Y HA 0.573 5.122 4.550 -0.000 0.000 0.332 27 Y C -0.846 175.060 175.900 0.010 0.000 1.071 27 Y CA -0.650 57.497 58.100 0.078 0.000 1.169 27 Y CB 1.108 39.601 38.460 0.055 0.000 1.192 27 Y HN 0.520 nan 8.280 nan 0.000 0.487 28 L N 9.946 130.725 121.223 -0.741 0.000 2.417 28 L HA 0.283 4.623 4.340 -0.000 0.000 0.258 28 L C -1.486 174.762 176.870 -1.037 0.000 1.088 28 L CA -1.648 52.733 54.840 -0.765 0.000 0.975 28 L CB 1.020 42.708 42.059 -0.619 0.000 1.341 28 L HN 0.588 nan 8.230 nan 0.000 0.431 29 P HA -0.208 nan 4.420 nan 0.000 0.218 29 P C 1.334 178.439 177.300 -0.325 0.000 1.146 29 P CA 1.509 64.297 63.100 -0.521 0.000 0.820 29 P CB 0.358 32.019 31.700 -0.064 0.000 0.778 30 G N -0.378 108.208 108.800 -0.358 0.000 2.551 30 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 30 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 30 G C 1.429 176.142 174.900 -0.310 0.000 1.137 30 G CA 0.286 45.231 45.100 -0.258 0.000 0.798 30 G HN 0.257 nan 8.290 nan 0.000 0.536 31 Q N -0.481 119.046 119.800 -0.456 0.000 2.319 31 Q HA 0.143 4.483 4.340 -0.000 0.000 0.209 31 Q C 0.756 176.584 176.000 -0.286 0.000 0.884 31 Q CA 0.106 55.675 55.803 -0.391 0.000 0.938 31 Q CB 0.147 28.580 28.738 -0.509 0.000 1.098 31 Q HN 0.677 nan 8.270 nan 0.000 0.517 32 Q N 1.414 121.023 119.800 -0.319 0.000 2.434 32 Q HA -0.198 4.142 4.340 -0.000 0.000 0.299 32 Q C -1.079 174.872 176.000 -0.081 0.000 1.286 32 Q CA 0.642 56.371 55.803 -0.124 0.000 0.872 32 Q CB -1.209 27.531 28.738 0.005 0.000 1.193 32 Q HN 0.413 nan 8.270 nan 0.000 0.466 33 S N -1.250 114.296 115.700 -0.256 0.000 2.564 33 S HA 0.836 5.306 4.470 -0.000 0.000 0.274 33 S C -0.476 174.054 174.600 -0.117 0.000 1.124 33 S CA -1.163 56.938 58.200 -0.165 0.000 0.869 33 S CB 1.956 65.033 63.200 -0.205 0.000 1.105 33 S HN 0.262 nan 8.310 nan 0.000 0.472 34 L N 1.358 122.544 121.223 -0.062 0.000 2.334 34 L HA 0.619 4.959 4.340 -0.000 0.000 0.272 34 L C -0.929 176.017 176.870 0.127 0.000 1.020 34 L CA -0.984 53.922 54.840 0.109 0.000 0.812 34 L CB 1.488 43.648 42.059 0.168 0.000 1.264 34 L HN 0.585 nan 8.230 nan 0.000 0.439 35 L N 2.390 123.767 121.223 0.256 0.000 2.343 35 L HA 0.585 4.924 4.340 -0.000 0.000 0.278 35 L C -0.348 176.661 176.870 0.231 0.000 0.996 35 L CA -0.431 54.522 54.840 0.188 0.000 0.831 35 L CB 1.756 43.968 42.059 0.256 0.000 1.232 35 L HN 0.646 nan 8.230 nan 0.000 0.413 36 A N 4.595 127.489 122.820 0.123 0.000 2.256 36 A HA 0.737 5.057 4.320 -0.000 0.000 0.317 36 A C -0.908 176.721 177.584 0.076 0.000 1.318 36 A CA -0.274 51.860 52.037 0.161 0.000 0.894 36 A CB 0.090 19.072 19.000 -0.030 0.000 1.165 36 A HN 0.517 nan 8.150 nan 0.000 0.525 37 F N 1.592 121.696 119.950 0.256 0.000 2.440 37 F HA 0.771 5.298 4.527 -0.000 0.000 0.328 37 F C 0.728 176.559 175.800 0.052 0.000 1.070 37 F CA 0.112 58.210 58.000 0.163 0.000 1.011 37 F CB 2.095 41.166 39.000 0.119 0.000 1.226 37 F HN 0.740 nan 8.300 nan 0.000 0.491 38 A N 0.838 123.702 122.820 0.075 0.000 2.599 38 A HA 0.585 4.905 4.320 -0.000 0.000 0.290 38 A C -1.590 175.922 177.584 -0.120 0.000 1.101 38 A CA -0.881 51.057 52.037 -0.164 0.000 0.674 38 A CB 1.261 19.806 19.000 -0.758 0.000 1.277 38 A HN 0.698 nan 8.150 nan 0.000 0.419 39 E N 0.760 120.881 120.200 -0.132 0.000 2.174 39 E HA 0.337 4.687 4.350 -0.000 0.000 0.282 39 E C -0.749 175.711 176.600 -0.234 0.000 0.992 39 E CA -0.333 55.983 56.400 -0.141 0.000 0.803 39 E CB 1.510 31.140 29.700 -0.117 0.000 1.090 39 E HN 0.504 nan 8.360 nan 0.000 0.396 40 Q N 4.930 124.564 119.800 -0.277 0.000 2.390 40 Q HA 0.159 4.499 4.340 -0.000 0.000 0.249 40 Q C -0.692 175.075 176.000 -0.388 0.000 0.996 40 Q CA -0.518 54.977 55.803 -0.513 0.000 0.899 40 Q CB 0.422 28.887 28.738 -0.455 0.000 1.216 40 Q HN 0.408 nan 8.270 nan 0.000 0.465 41 R N 1.795 122.088 120.500 -0.344 0.000 2.797 41 R HA 0.563 4.903 4.340 -0.000 0.000 0.251 41 R C 0.281 176.562 176.300 -0.031 0.000 1.107 41 R CA -0.146 55.866 56.100 -0.147 0.000 1.084 41 R CB 0.732 30.968 30.300 -0.107 0.000 1.205 41 R HN 0.578 nan 8.270 nan 0.000 0.515 42 A N 0.542 123.366 122.820 0.007 0.000 1.935 42 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 42 A C 1.075 178.624 177.584 -0.058 0.000 1.178 42 A CA 1.382 53.404 52.037 -0.025 0.000 0.640 42 A CB -0.095 18.815 19.000 -0.149 0.000 0.825 42 A HN 0.786 nan 8.150 nan 0.000 0.447 43 S N -2.147 113.558 115.700 0.008 0.000 2.998 43 S HA 0.460 4.930 4.470 -0.000 0.000 0.323 43 S C 0.290 174.913 174.600 0.037 0.000 1.141 43 S CA -0.243 57.988 58.200 0.051 0.000 0.873 43 S CB 0.722 64.033 63.200 0.184 0.000 1.315 43 S HN 0.127 nan 8.310 nan 0.000 0.637 44 K N 0.393 120.809 120.400 0.027 0.000 2.361 44 K HA 0.200 4.520 4.320 -0.000 0.000 0.196 44 K C 0.026 176.565 176.600 -0.101 0.000 1.039 44 K CA 0.280 56.541 56.287 -0.043 0.000 1.001 44 K CB -0.071 32.415 32.500 -0.024 0.000 0.795 44 K HN 0.352 nan 8.250 nan 0.000 0.495 45 K N 1.989 122.352 120.400 -0.062 0.000 2.451 45 K HA -0.047 4.273 4.320 -0.000 0.000 0.280 45 K C 0.099 176.591 176.600 -0.181 0.000 1.020 45 K CA -0.030 56.152 56.287 -0.175 0.000 1.008 45 K CB 0.676 32.970 32.500 -0.343 0.000 0.917 45 K HN 0.004 nan 8.250 nan 0.000 0.478 46 D N 2.655 122.944 120.400 -0.186 0.000 2.126 46 D HA -0.240 4.399 4.640 -0.000 0.000 0.190 46 D C 1.712 177.941 176.300 -0.118 0.000 1.001 46 D CA 1.681 55.593 54.000 -0.146 0.000 0.841 46 D CB 0.095 40.820 40.800 -0.125 0.000 0.949 46 D HN 0.684 nan 8.370 nan 0.000 0.446 47 E N 0.597 120.700 120.200 -0.162 0.000 2.333 47 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 47 E C 0.785 177.377 176.600 -0.013 0.000 1.007 47 E CA 0.984 57.317 56.400 -0.112 0.000 0.845 47 E CB -0.836 28.774 29.700 -0.150 0.000 0.766 47 E HN 0.583 nan 8.360 nan 0.000 0.507 48 H N 0.511 119.546 119.070 -0.059 0.000 2.538 48 H HA 0.400 4.956 4.556 -0.000 0.000 0.286 48 H C 0.522 175.808 175.328 -0.071 0.000 1.035 48 H CA -0.403 55.611 56.048 -0.057 0.000 1.169 48 H CB 0.467 30.195 29.762 -0.057 0.000 1.417 48 H HN 0.224 nan 8.280 nan 0.000 0.567 49 A N 0.890 123.727 122.820 0.029 0.000 2.351 49 A HA 0.167 4.486 4.320 -0.000 0.000 0.257 49 A C 0.601 178.167 177.584 -0.029 0.000 1.087 49 A CA -0.312 51.705 52.037 -0.034 0.000 0.798 49 A CB 0.721 19.690 19.000 -0.051 0.000 1.033 49 A HN 0.604 nan 8.150 nan 0.000 0.488 50 E N 0.880 121.036 120.200 -0.072 0.000 3.844 50 E HA 0.364 4.714 4.350 -0.000 0.000 0.201 50 E C -0.373 176.173 176.600 -0.090 0.000 1.278 50 E CA -0.439 55.921 56.400 -0.066 0.000 1.565 50 E CB 0.144 29.796 29.700 -0.079 0.000 1.543 50 E HN 0.512 nan 8.360 nan 0.000 0.584 51 L N 0.979 122.118 121.223 -0.140 0.000 2.257 51 L HA 0.580 4.920 4.340 -0.000 0.000 0.257 51 L C -0.728 176.044 176.870 -0.163 0.000 1.033 51 L CA -1.151 53.596 54.840 -0.155 0.000 0.835 51 L CB 2.088 44.057 42.059 -0.151 0.000 1.398 51 L HN 0.076 nan 8.230 nan 0.000 0.429 52 I N 1.464 121.931 120.570 -0.171 0.000 2.378 52 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 52 I C -0.177 175.904 176.117 -0.060 0.000 0.992 52 I CA -0.791 60.436 61.300 -0.121 0.000 1.154 52 I CB 1.879 39.783 38.000 -0.159 0.000 1.315 52 I HN 0.249 nan 8.210 nan 0.000 0.448 53 V N 4.617 124.529 119.914 -0.004 0.000 3.211 53 V HA 0.767 4.887 4.120 -0.000 0.000 0.319 53 V C -0.749 175.412 176.094 0.110 0.000 1.096 53 V CA -0.716 61.625 62.300 0.068 0.000 1.029 53 V CB 2.088 34.008 31.823 0.161 0.000 1.137 53 V HN 0.617 nan 8.190 nan 0.000 0.453 54 L N 0.912 122.208 121.223 0.123 0.000 2.518 54 L HA 0.756 5.096 4.340 -0.000 0.000 0.257 54 L C -0.850 176.047 176.870 0.044 0.000 0.980 54 L CA -0.480 54.359 54.840 -0.002 0.000 0.837 54 L CB 2.313 44.248 42.059 -0.207 0.000 1.410 54 L HN 0.865 nan 8.230 nan 0.000 0.410 55 R N 2.844 123.338 120.500 -0.010 0.000 2.538 55 R HA 0.492 4.832 4.340 -0.000 0.000 0.292 55 R C -1.182 175.220 176.300 0.170 0.000 1.008 55 R CA -0.868 55.240 56.100 0.014 0.000 0.896 55 R CB 2.435 32.613 30.300 -0.204 0.000 1.187 55 R HN 0.612 nan 8.270 nan 0.000 0.440 56 R N 1.558 122.133 120.500 0.125 0.000 2.229 56 R HA 0.399 4.739 4.340 -0.000 0.000 0.328 56 R C -0.553 175.704 176.300 -0.071 0.000 1.009 56 R CA -0.231 55.901 56.100 0.053 0.000 0.864 56 R CB 1.294 31.587 30.300 -0.011 0.000 1.085 56 R HN 0.796 nan 8.270 nan 0.000 0.453 57 G N 2.760 111.305 108.800 -0.424 0.000 2.416 57 G HA2 0.318 4.278 3.960 -0.000 0.000 0.329 57 G HA3 0.318 4.278 3.960 -0.000 0.000 0.329 57 G C -1.222 173.271 174.900 -0.678 0.000 1.173 57 G CA -0.514 43.912 45.100 -1.123 0.000 0.929 57 G HN 0.601 nan 8.290 nan 0.000 0.475 58 D N 0.175 120.254 120.400 -0.536 0.000 2.505 58 D HA 0.177 4.817 4.640 -0.000 0.000 0.249 58 D C -1.143 175.036 176.300 -0.202 0.000 1.082 58 D CA -0.260 53.573 54.000 -0.278 0.000 0.839 58 D CB 2.483 43.164 40.800 -0.198 0.000 1.317 58 D HN 0.374 nan 8.370 nan 0.000 0.497 59 Y N 1.696 121.888 120.300 -0.181 0.000 2.436 59 Y HA 0.140 4.690 4.550 -0.000 0.000 0.343 59 Y C -0.090 175.766 175.900 -0.073 0.000 1.008 59 Y CA -0.311 57.725 58.100 -0.106 0.000 1.241 59 Y CB 0.639 39.087 38.460 -0.018 0.000 1.153 59 Y HN 0.218 nan 8.280 nan 0.000 0.521 60 D N 4.591 124.704 120.400 -0.478 0.000 2.280 60 D HA 0.376 5.016 4.640 -0.000 0.000 0.243 60 D C 0.509 176.496 176.300 -0.521 0.000 1.129 60 D CA 0.302 54.090 54.000 -0.354 0.000 0.848 60 D CB 1.579 42.213 40.800 -0.277 0.000 1.107 60 D HN 0.707 nan 8.370 nan 0.000 0.471 61 A N 4.802 127.522 122.820 -0.167 0.000 1.930 61 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 61 A C -0.471 177.111 177.584 -0.003 0.000 1.176 61 A CA 0.541 52.578 52.037 -0.000 0.000 0.632 61 A CB -1.063 18.019 19.000 0.136 0.000 0.819 61 A HN 0.596 nan 8.150 nan 0.000 0.445 62 P HA -0.058 nan 4.420 nan 0.000 0.228 62 P C 0.831 178.136 177.300 0.009 0.000 1.151 62 P CA 1.875 64.973 63.100 -0.002 0.000 0.770 62 P CB 0.085 31.771 31.700 -0.025 0.000 0.786 63 T N -6.638 107.879 114.554 -0.062 0.000 3.130 63 T HA 0.022 4.371 4.350 -0.000 0.000 0.288 63 T C 0.379 174.791 174.700 -0.481 0.000 0.936 63 T CA -0.287 61.706 62.100 -0.177 0.000 0.897 63 T CB -0.901 67.828 68.868 -0.231 0.000 1.178 63 T HN 0.243 nan 8.240 nan 0.000 0.543 64 H N 1.773 120.668 119.070 -0.292 0.000 2.527 64 H HA -0.136 4.420 4.556 -0.000 0.000 0.321 64 H C -1.186 173.962 175.328 -0.300 0.000 1.092 64 H CA 0.675 56.497 56.048 -0.377 0.000 1.118 64 H CB -2.442 27.317 29.762 -0.005 0.000 1.536 64 H HN 0.510 nan 8.280 nan 0.000 0.407 65 Q N 0.082 119.590 119.800 -0.488 0.000 2.389 65 Q HA 0.638 4.977 4.340 -0.000 0.000 0.277 65 Q C -0.177 175.666 176.000 -0.262 0.000 1.082 65 Q CA -1.054 54.602 55.803 -0.244 0.000 0.810 65 Q CB 3.303 31.913 28.738 -0.213 0.000 1.374 65 Q HN 0.181 nan 8.270 nan 0.000 0.422 66 V N 1.666 121.528 119.914 -0.087 0.000 2.472 66 V HA 0.324 4.444 4.120 -0.000 0.000 0.290 66 V C -0.223 175.640 176.094 -0.385 0.000 1.037 66 V CA -0.521 61.617 62.300 -0.269 0.000 0.908 66 V CB 1.724 33.335 31.823 -0.353 0.000 0.985 66 V HN 0.668 nan 8.190 nan 0.000 0.454 67 Q N 3.578 123.087 119.800 -0.485 0.000 2.333 67 Q HA 0.373 4.713 4.340 -0.000 0.000 0.268 67 Q C -1.794 173.907 176.000 -0.499 0.000 1.007 67 Q CA -0.568 55.023 55.803 -0.353 0.000 0.810 67 Q CB 1.185 29.800 28.738 -0.205 0.000 1.264 67 Q HN 0.708 nan 8.270 nan 0.000 0.452 68 W N 3.120 124.317 121.300 -0.171 0.000 2.351 68 W HA 0.332 4.992 4.660 -0.000 0.000 0.311 68 W C 0.206 176.630 176.519 -0.158 0.000 1.168 68 W CA -0.460 56.768 57.345 -0.195 0.000 1.200 68 W CB 0.890 30.191 29.460 -0.266 0.000 1.221 68 W HN 0.539 nan 8.180 nan 0.000 0.519 69 Q N 1.871 121.706 119.800 0.057 0.000 2.407 69 Q HA 0.534 4.874 4.340 -0.000 0.000 0.214 69 Q C 0.339 176.348 176.000 0.014 0.000 1.043 69 Q CA -0.729 55.081 55.803 0.012 0.000 0.983 69 Q CB 0.442 29.175 28.738 -0.008 0.000 1.211 69 Q HN 0.608 nan 8.270 nan 0.000 0.564 70 A N 1.064 123.880 122.820 -0.007 0.000 2.483 70 A HA 0.068 4.388 4.320 -0.000 0.000 0.238 70 A C -0.026 177.544 177.584 -0.023 0.000 1.070 70 A CA -0.289 51.734 52.037 -0.024 0.000 0.770 70 A CB -0.043 18.950 19.000 -0.011 0.000 1.008 70 A HN 0.654 nan 8.150 nan 0.000 0.497 71 Q N 0.865 120.635 119.800 -0.050 0.000 2.421 71 Q HA 0.461 4.801 4.340 -0.000 0.000 0.255 71 Q C -0.253 175.776 176.000 0.047 0.000 1.013 71 Q CA 0.252 56.053 55.803 -0.004 0.000 0.895 71 Q CB 0.415 29.172 28.738 0.033 0.000 1.271 71 Q HN 0.792 nan 8.270 nan 0.000 0.460 72 E N -0.503 119.741 120.200 0.075 0.000 2.430 72 E HA 0.547 4.897 4.350 -0.000 0.000 0.279 72 E C -1.485 175.156 176.600 0.068 0.000 1.003 72 E CA -1.141 55.300 56.400 0.069 0.000 0.801 72 E CB 1.415 31.155 29.700 0.066 0.000 1.313 72 E HN 0.383 nan 8.360 nan 0.000 0.459 73 V N 1.495 121.436 119.914 0.045 0.000 2.509 73 V HA 0.175 4.295 4.120 -0.000 0.000 0.284 73 V C -0.025 176.062 176.094 -0.011 0.000 1.047 73 V CA -0.784 61.520 62.300 0.007 0.000 0.952 73 V CB 1.551 33.365 31.823 -0.015 0.000 0.988 73 V HN 0.596 nan 8.190 nan 0.000 0.469 74 V N 5.331 125.193 119.914 -0.086 0.000 2.153 74 V HA 0.156 4.276 4.120 -0.000 0.000 0.250 74 V C 1.491 177.467 176.094 -0.195 0.000 1.334 74 V CA 0.535 62.713 62.300 -0.203 0.000 1.249 74 V CB -0.241 31.324 31.823 -0.429 0.000 1.371 74 V HN 1.087 nan 8.190 nan 0.000 0.498 75 A N 3.075 125.849 122.820 -0.077 0.000 1.927 75 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 75 A C 2.159 179.704 177.584 -0.066 0.000 1.185 75 A CA 1.717 53.723 52.037 -0.053 0.000 0.639 75 A CB -0.247 18.757 19.000 0.007 0.000 0.820 75 A HN 0.660 nan 8.150 nan 0.000 0.451 76 Q N -0.355 119.415 119.800 -0.050 0.000 2.170 76 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 76 Q C 1.241 177.195 176.000 -0.077 0.000 0.976 76 Q CA 1.020 56.815 55.803 -0.013 0.000 0.858 76 Q CB -0.818 27.966 28.738 0.077 0.000 0.907 76 Q HN 0.639 nan 8.270 nan 0.000 0.433 77 A N 2.219 124.876 122.820 -0.273 0.000 2.457 77 A HA 0.393 4.713 4.320 -0.000 0.000 0.298 77 A C -0.050 177.266 177.584 -0.446 0.000 1.288 77 A CA -0.196 51.471 52.037 -0.617 0.000 0.956 77 A CB -0.365 18.000 19.000 -1.060 0.000 1.135 77 A HN 0.372 nan 8.150 nan 0.000 0.535 78 R N 0.625 121.024 120.500 -0.167 0.000 3.247 78 R HA 0.554 4.894 4.340 -0.000 0.000 0.284 78 R C -1.867 174.501 176.300 0.114 0.000 0.957 78 R CA -0.978 55.115 56.100 -0.012 0.000 0.824 78 R CB 0.565 30.849 30.300 -0.026 0.000 1.367 78 R HN 0.326 nan 8.270 nan 0.000 0.529 79 L N 1.292 122.584 121.223 0.114 0.000 2.680 79 L HA 0.278 4.618 4.340 -0.000 0.000 0.260 79 L C -1.058 175.939 176.870 0.211 0.000 0.975 79 L CA -0.860 54.030 54.840 0.083 0.000 0.920 79 L CB 1.974 43.924 42.059 -0.181 0.000 1.234 79 L HN 0.838 nan 8.230 nan 0.000 0.429 80 D N 3.023 123.510 120.400 0.144 0.000 5.247 80 D HA -0.126 4.514 4.640 -0.000 0.000 0.184 80 D C 1.200 177.619 176.300 0.198 0.000 1.197 80 D CA 2.296 56.378 54.000 0.136 0.000 0.747 80 D CB 0.543 41.401 40.800 0.097 0.000 1.304 80 D HN 0.942 nan 8.370 nan 0.000 0.732 81 G N 3.098 111.972 108.800 0.124 0.000 2.194 81 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.236 81 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.236 81 G C 0.116 174.979 174.900 -0.062 0.000 0.987 81 G CA 0.391 45.506 45.100 0.025 0.000 0.635 81 G HN 0.746 nan 8.290 nan 0.000 0.520 82 H N 0.469 119.561 119.070 0.036 0.000 2.533 82 H HA 0.721 5.277 4.556 -0.000 0.000 0.343 82 H C 0.720 176.067 175.328 0.032 0.000 1.160 82 H CA -0.387 55.687 56.048 0.043 0.000 1.218 82 H CB 0.787 30.589 29.762 0.067 0.000 1.566 82 H HN 0.534 nan 8.280 nan 0.000 0.522 83 R N 0.905 121.491 120.500 0.144 0.000 2.368 83 R HA 0.608 4.948 4.340 -0.000 0.000 0.302 83 R C -0.967 175.391 176.300 0.096 0.000 1.002 83 R CA -0.763 55.382 56.100 0.075 0.000 0.929 83 R CB 0.953 31.275 30.300 0.036 0.000 1.073 83 R HN 0.399 nan 8.270 nan 0.000 0.464 84 S N 4.690 120.415 115.700 0.042 0.000 2.480 84 S HA 0.529 4.999 4.470 -0.000 0.000 0.286 84 S C 0.141 174.749 174.600 0.014 0.000 1.180 84 S CA -0.841 57.390 58.200 0.052 0.000 1.075 84 S CB 1.095 64.213 63.200 -0.136 0.000 0.996 84 S HN 0.704 nan 8.310 nan 0.000 0.487 85 M N 0.726 120.374 119.600 0.079 0.000 2.755 85 M HA 0.576 5.056 4.480 -0.000 0.000 0.273 85 M C -1.238 175.115 176.300 0.090 0.000 1.278 85 M CA -0.808 54.517 55.300 0.042 0.000 0.819 85 M CB 1.145 33.750 32.600 0.009 0.000 1.694 85 M HN 0.554 nan 8.290 nan 0.000 0.460 86 N N 1.244 119.988 118.700 0.073 0.000 2.610 86 N HA -0.078 4.662 4.740 -0.000 0.000 0.271 86 N C -2.706 172.880 175.510 0.127 0.000 1.146 86 N CA 0.156 53.271 53.050 0.108 0.000 0.711 86 N CB -0.970 37.577 38.487 0.099 0.000 0.883 86 N HN 0.521 nan 8.380 nan 0.000 0.548 87 P HA 0.190 nan 4.420 nan 0.000 0.281 87 P C -0.382 176.949 177.300 0.051 0.000 1.252 87 P CA -0.110 63.013 63.100 0.038 0.000 0.778 87 P CB 0.848 32.532 31.700 -0.026 0.000 0.895 88 C N 6.319 125.657 119.300 0.064 0.000 2.653 88 C HA 0.345 4.804 4.460 -0.000 0.000 0.291 88 C C -2.103 172.974 174.990 0.144 0.000 1.064 88 C CA -1.690 57.422 59.018 0.156 0.000 1.469 88 C CB 0.979 28.868 27.740 0.250 0.000 1.861 88 C HN 0.489 nan 8.230 nan 0.000 0.434 89 P HA 0.485 nan 4.420 nan 0.000 0.278 89 P C -0.990 176.499 177.300 0.316 0.000 1.238 89 P CA -0.123 63.018 63.100 0.068 0.000 0.794 89 P CB 1.848 33.554 31.700 0.010 0.000 0.955 90 L N 3.712 125.168 121.223 0.388 0.000 2.513 90 L HA 0.520 4.860 4.340 -0.000 0.000 0.261 90 L C -2.043 175.160 176.870 0.554 0.000 0.945 90 L CA -1.121 53.999 54.840 0.467 0.000 0.848 90 L CB 1.831 44.178 42.059 0.480 0.000 1.334 90 L HN 0.284 nan 8.230 nan 0.000 0.407 91 Y N 3.400 123.925 120.300 0.375 0.000 2.341 91 Y HA 0.493 5.042 4.550 -0.000 0.000 0.338 91 Y C -0.595 175.501 175.900 0.327 0.000 0.965 91 Y CA -0.539 57.763 58.100 0.338 0.000 1.108 91 Y CB 1.280 39.895 38.460 0.259 0.000 1.180 91 Y HN 0.687 nan 8.280 nan 0.000 0.458 92 D N 4.842 125.041 120.400 -0.336 0.000 2.365 92 D HA 0.268 4.908 4.640 -0.000 0.000 0.237 92 D C 0.636 176.680 176.300 -0.427 0.000 1.190 92 D CA 0.425 54.334 54.000 -0.152 0.000 0.867 92 D CB 1.658 42.494 40.800 0.061 0.000 1.050 92 D HN 0.868 nan 8.370 nan 0.000 0.491 93 A N 4.253 127.049 122.820 -0.041 0.000 1.933 93 A HA -0.201 4.118 4.320 -0.000 0.000 0.218 93 A C 1.959 179.574 177.584 0.051 0.000 1.175 93 A CA 1.240 53.353 52.037 0.125 0.000 0.628 93 A CB -0.209 18.919 19.000 0.214 0.000 0.814 93 A HN 0.673 nan 8.150 nan 0.000 0.444 94 Q N -0.929 118.884 119.800 0.020 0.000 1.990 94 Q HA -0.151 4.188 4.340 -0.000 0.000 0.200 94 Q C 2.504 178.434 176.000 -0.116 0.000 0.980 94 Q CA 2.353 58.136 55.803 -0.035 0.000 0.832 94 Q CB -0.340 28.367 28.738 -0.051 0.000 0.897 94 Q HN 0.882 nan 8.270 nan 0.000 0.427 95 T N -3.997 110.449 114.554 -0.179 0.000 2.894 95 T HA 0.126 4.476 4.350 -0.000 0.000 0.258 95 T C 1.425 176.036 174.700 -0.148 0.000 1.043 95 T CA 1.158 63.150 62.100 -0.179 0.000 1.141 95 T CB 0.245 69.010 68.868 -0.173 0.000 0.873 95 T HN 0.498 nan 8.240 nan 0.000 0.449 96 G N 0.698 109.357 108.800 -0.236 0.000 2.179 96 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 96 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 96 G C 0.161 174.886 174.900 -0.292 0.000 0.990 96 G CA 0.019 44.985 45.100 -0.223 0.000 0.646 96 G HN 0.780 nan 8.290 nan 0.000 0.517 97 T N 1.561 115.920 114.554 -0.325 0.000 2.851 97 T HA 0.510 4.860 4.350 -0.000 0.000 0.298 97 T C 0.411 174.926 174.700 -0.308 0.000 0.977 97 T CA -0.048 61.847 62.100 -0.341 0.000 1.126 97 T CB 1.944 70.546 68.868 -0.443 0.000 0.916 97 T HN 0.370 nan 8.240 nan 0.000 0.529 98 L N 4.024 125.133 121.223 -0.189 0.000 2.275 98 L HA 0.536 4.875 4.340 -0.000 0.000 0.288 98 L C -1.179 175.674 176.870 -0.028 0.000 1.046 98 L CA -0.666 54.227 54.840 0.089 0.000 0.805 98 L CB 0.360 42.487 42.059 0.114 0.000 1.193 98 L HN 0.560 nan 8.230 nan 0.000 0.426 99 F N 5.026 125.088 119.950 0.187 0.000 2.480 99 F HA 0.502 5.029 4.527 -0.000 0.000 0.329 99 F C -0.306 175.420 175.800 -0.122 0.000 1.091 99 F CA -0.599 57.380 58.000 -0.034 0.000 0.972 99 F CB 1.878 40.746 39.000 -0.219 0.000 1.150 99 F HN 0.242 nan 8.300 nan 0.000 0.467 100 L N 4.511 125.666 121.223 -0.114 0.000 2.446 100 L HA 0.577 4.917 4.340 -0.000 0.000 0.268 100 L C -1.811 174.899 176.870 -0.267 0.000 0.975 100 L CA -0.398 54.294 54.840 -0.247 0.000 0.848 100 L CB 0.479 42.317 42.059 -0.368 0.000 1.225 100 L HN 0.325 nan 8.230 nan 0.000 0.410 101 F N 5.896 125.895 119.950 0.083 0.000 2.422 101 F HA 0.763 5.290 4.527 -0.000 0.000 0.333 101 F C 0.053 175.896 175.800 0.072 0.000 1.095 101 F CA -0.432 57.553 58.000 -0.025 0.000 1.038 101 F CB 1.323 40.230 39.000 -0.154 0.000 1.156 101 F HN 0.442 nan 8.300 nan 0.000 0.483 102 F N 0.658 120.647 119.950 0.064 0.000 2.789 102 F HA 0.773 5.300 4.527 -0.000 0.000 0.319 102 F C -1.859 173.936 175.800 -0.008 0.000 1.168 102 F CA -1.442 56.558 58.000 -0.001 0.000 0.934 102 F CB 0.948 39.916 39.000 -0.053 0.000 1.375 102 F HN 0.065 nan 8.300 nan 0.000 0.480 103 I N 1.665 122.305 120.570 0.118 0.000 2.648 103 I HA 0.693 4.863 4.170 -0.000 0.000 0.304 103 I C -0.478 175.722 176.117 0.137 0.000 1.009 103 I CA -1.115 60.176 61.300 -0.015 0.000 1.114 103 I CB 1.598 39.532 38.000 -0.109 0.000 1.293 103 I HN 0.908 nan 8.210 nan 0.000 0.449 104 A N 7.134 129.996 122.820 0.071 0.000 2.410 104 A HA 0.725 5.045 4.320 -0.000 0.000 0.289 104 A C -0.731 177.003 177.584 0.250 0.000 1.200 104 A CA -0.407 51.719 52.037 0.149 0.000 0.751 104 A CB 0.501 19.490 19.000 -0.019 0.000 1.161 104 A HN 0.558 nan 8.150 nan 0.000 0.459 105 I N 3.421 124.134 120.570 0.239 0.000 2.377 105 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 105 I C -2.396 173.788 176.117 0.112 0.000 0.987 105 I CA -2.483 58.930 61.300 0.187 0.000 1.185 105 I CB 2.465 40.504 38.000 0.064 0.000 1.341 105 I HN 0.358 nan 8.210 nan 0.000 0.455 106 P HA 0.076 nan 4.420 nan 0.000 0.268 106 P C 0.632 177.857 177.300 -0.126 0.000 1.204 106 P CA 0.476 63.393 63.100 -0.305 0.000 0.768 106 P CB 0.582 32.117 31.700 -0.274 0.000 0.842 107 G N 3.662 112.391 108.800 -0.119 0.000 2.582 107 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.369 107 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.369 107 G C 0.418 175.308 174.900 -0.016 0.000 1.370 107 G CA 0.200 45.271 45.100 -0.050 0.000 0.955 107 G HN 0.591 nan 8.290 nan 0.000 0.525 108 Q N -0.582 119.218 119.800 -0.000 0.000 2.247 108 Q HA 0.342 4.682 4.340 -0.000 0.000 0.205 108 Q C 0.617 176.611 176.000 -0.011 0.000 0.896 108 Q CA -0.344 55.468 55.803 0.015 0.000 0.950 108 Q CB 0.506 29.276 28.738 0.054 0.000 1.054 108 Q HN 0.331 nan 8.270 nan 0.000 0.482 109 V N 3.134 123.038 119.914 -0.017 0.000 2.452 109 V HA -0.076 4.043 4.120 -0.000 0.000 0.286 109 V C 1.129 177.207 176.094 -0.027 0.000 0.995 109 V CA 0.507 62.795 62.300 -0.020 0.000 1.116 109 V CB -0.224 31.590 31.823 -0.015 0.000 0.954 109 V HN 0.431 nan 8.190 nan 0.000 0.473 110 T N 1.721 116.252 114.554 -0.039 0.000 2.667 110 T HA 0.097 4.447 4.350 -0.000 0.000 0.305 110 T C 1.066 175.735 174.700 -0.052 0.000 1.022 110 T CA 0.204 62.272 62.100 -0.054 0.000 0.995 110 T CB 0.896 69.724 68.868 -0.067 0.000 1.026 110 T HN 0.730 nan 8.240 nan 0.000 0.527 111 E N -0.611 119.551 120.200 -0.063 0.000 2.190 111 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 111 E C 2.138 178.671 176.600 -0.111 0.000 0.978 111 E CA 0.241 56.594 56.400 -0.078 0.000 0.839 111 E CB -0.042 29.621 29.700 -0.062 0.000 0.787 111 E HN 0.666 nan 8.360 nan 0.000 0.473 112 Q N 1.146 120.889 119.800 -0.095 0.000 2.096 112 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 112 Q C 1.900 177.849 176.000 -0.085 0.000 0.982 112 Q CA 1.959 57.704 55.803 -0.097 0.000 0.850 112 Q CB -0.121 28.574 28.738 -0.072 0.000 0.901 112 Q HN 0.309 nan 8.270 nan 0.000 0.422 113 Q N -0.322 119.441 119.800 -0.063 0.000 2.002 113 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 113 Q C 2.247 178.221 176.000 -0.044 0.000 0.988 113 Q CA 1.987 57.763 55.803 -0.045 0.000 0.843 113 Q CB -0.172 28.547 28.738 -0.032 0.000 0.908 113 Q HN 0.521 nan 8.270 nan 0.000 0.420 114 Q N 0.025 119.798 119.800 -0.044 0.000 2.248 114 Q HA -0.190 4.149 4.340 -0.000 0.000 0.208 114 Q C 2.060 178.025 176.000 -0.058 0.000 0.984 114 Q CA 1.016 56.800 55.803 -0.031 0.000 0.875 114 Q CB -0.123 28.603 28.738 -0.021 0.000 0.910 114 Q HN 0.405 nan 8.270 nan 0.000 0.433 115 L N 0.394 121.548 121.223 -0.116 0.000 2.034 115 L HA -0.167 4.173 4.340 -0.000 0.000 0.203 115 L C 2.388 179.205 176.870 -0.088 0.000 1.074 115 L CA 1.375 56.120 54.840 -0.159 0.000 0.748 115 L CB -0.496 41.393 42.059 -0.282 0.000 0.905 115 L HN 0.321 nan 8.230 nan 0.000 0.439 116 E N -1.583 118.574 120.200 -0.072 0.000 2.347 116 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 116 E C 1.706 178.292 176.600 -0.023 0.000 1.008 116 E CA 1.327 57.702 56.400 -0.042 0.000 0.852 116 E CB -0.252 29.425 29.700 -0.038 0.000 0.783 116 E HN 0.228 nan 8.360 nan 0.000 0.505 117 T N 0.128 114.669 114.554 -0.022 0.000 3.044 117 T HA 0.075 4.425 4.350 -0.000 0.000 0.250 117 T C 0.262 174.965 174.700 0.004 0.000 1.081 117 T CA -0.026 62.071 62.100 -0.006 0.000 1.040 117 T CB -0.235 68.631 68.868 -0.003 0.000 0.962 117 T HN 0.157 nan 8.240 nan 0.000 0.506 118 R N 0.380 120.880 120.500 -0.000 0.000 3.333 118 R HA -0.168 4.172 4.340 -0.000 0.000 0.256 118 R C -0.471 175.847 176.300 0.030 0.000 1.010 118 R CA 0.421 56.531 56.100 0.016 0.000 0.680 118 R CB -2.015 28.299 30.300 0.024 0.000 1.102 118 R HN 0.394 nan 8.270 nan 0.000 0.440 119 A N 1.071 123.910 122.820 0.030 0.000 2.446 119 A HA 0.419 4.739 4.320 -0.000 0.000 0.282 119 A C -0.716 176.905 177.584 0.061 0.000 1.102 119 A CA -0.742 51.325 52.037 0.050 0.000 0.737 119 A CB 1.153 20.183 19.000 0.050 0.000 1.212 119 A HN 0.233 nan 8.150 nan 0.000 0.434 120 N N 1.826 120.564 118.700 0.063 0.000 2.458 120 N HA 0.307 5.047 4.740 -0.000 0.000 0.270 120 N C 0.447 176.084 175.510 0.212 0.000 1.102 120 N CA 0.399 53.488 53.050 0.066 0.000 0.967 120 N CB 1.416 39.824 38.487 -0.131 0.000 1.078 120 N HN 0.888 nan 8.380 nan 0.000 0.471 121 V N 0.064 120.110 119.914 0.220 0.000 3.253 121 V HA 0.373 4.492 4.120 -0.000 0.000 0.320 121 V C 0.268 176.548 176.094 0.310 0.000 1.442 121 V CA -0.344 62.119 62.300 0.272 0.000 1.097 121 V CB -0.444 31.471 31.823 0.154 0.000 1.008 121 V HN 0.468 nan 8.190 nan 0.000 0.463 122 T N 3.720 118.466 114.554 0.321 0.000 2.869 122 T HA 0.504 4.854 4.350 -0.000 0.000 0.295 122 T C -0.010 174.985 174.700 0.492 0.000 0.987 122 T CA -0.096 62.146 62.100 0.237 0.000 1.109 122 T CB 0.769 69.581 68.868 -0.094 0.000 0.932 122 T HN 0.469 nan 8.240 nan 0.000 0.518 123 R N 1.919 122.595 120.500 0.293 0.000 2.637 123 R HA 0.508 4.848 4.340 -0.000 0.000 0.291 123 R C -1.089 175.352 176.300 0.235 0.000 0.963 123 R CA -1.091 55.185 56.100 0.294 0.000 0.901 123 R CB 1.831 32.157 30.300 0.044 0.000 1.160 123 R HN 0.352 nan 8.270 nan 0.000 0.457 124 L N 2.818 124.204 121.223 0.271 0.000 2.265 124 L HA 0.399 4.739 4.340 -0.000 0.000 0.289 124 L C -0.990 175.739 176.870 -0.235 0.000 1.033 124 L CA -0.184 54.686 54.840 0.050 0.000 0.814 124 L CB 0.664 42.728 42.059 0.008 0.000 1.203 124 L HN 0.693 nan 8.230 nan 0.000 0.423 125 C N 3.513 122.502 119.300 -0.517 0.000 2.913 125 C HA 0.953 5.412 4.460 -0.000 0.000 0.322 125 C C -0.457 174.050 174.990 -0.805 0.000 1.292 125 C CA -0.763 57.837 59.018 -0.697 0.000 1.649 125 C CB 1.737 28.931 27.740 -0.909 0.000 2.139 125 C HN 0.883 nan 8.230 nan 0.000 0.475 126 Q N -0.317 119.240 119.800 -0.404 0.000 2.482 126 Q HA 0.876 5.216 4.340 -0.000 0.000 0.286 126 Q C -2.024 174.073 176.000 0.160 0.000 1.007 126 Q CA -0.674 55.078 55.803 -0.086 0.000 0.801 126 Q CB 1.708 30.484 28.738 0.062 0.000 1.455 126 Q HN 0.466 nan 8.270 nan 0.000 0.398 127 V N 1.226 121.268 119.914 0.213 0.000 2.841 127 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 127 V C -0.455 175.834 176.094 0.326 0.000 1.090 127 V CA -0.014 62.438 62.300 0.253 0.000 0.930 127 V CB 2.126 34.048 31.823 0.165 0.000 1.014 127 V HN 1.048 nan 8.190 nan 0.000 0.425 128 T N 0.128 114.871 114.554 0.315 0.000 2.940 128 T HA 0.829 5.179 4.350 -0.000 0.000 0.288 128 T C -0.459 174.264 174.700 0.039 0.000 1.045 128 T CA -0.808 61.361 62.100 0.116 0.000 1.018 128 T CB 1.943 70.687 68.868 -0.207 0.000 1.151 128 T HN 0.849 nan 8.240 nan 0.000 0.529 129 S N -0.159 115.354 115.700 -0.311 0.000 2.626 129 S HA 0.431 4.901 4.470 -0.000 0.000 0.275 129 S C 0.596 174.959 174.600 -0.394 0.000 1.175 129 S CA -0.105 57.772 58.200 -0.538 0.000 0.982 129 S CB 1.073 63.529 63.200 -1.240 0.000 1.093 129 S HN 1.106 nan 8.310 nan 0.000 0.472 130 T N -0.055 114.308 114.554 -0.318 0.000 3.081 130 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 130 T C 0.324 174.823 174.700 -0.335 0.000 1.100 130 T CA 0.549 62.482 62.100 -0.280 0.000 1.038 130 T CB -0.380 68.367 68.868 -0.201 0.000 0.962 130 T HN 0.627 nan 8.240 nan 0.000 0.516 131 D N 0.837 121.032 120.400 -0.343 0.000 3.068 131 D HA 0.090 4.730 4.640 -0.000 0.000 0.327 131 D C 0.079 176.224 176.300 -0.258 0.000 1.361 131 D CA -0.892 52.926 54.000 -0.304 0.000 0.877 131 D CB -0.968 39.719 40.800 -0.189 0.000 1.088 131 D HN 0.290 nan 8.370 nan 0.000 0.489 132 H N 0.113 119.104 119.070 -0.133 0.000 2.932 132 H HA -0.220 4.336 4.556 -0.000 0.000 0.290 132 H C 1.455 176.684 175.328 -0.166 0.000 1.108 132 H CA 1.650 57.630 56.048 -0.114 0.000 1.172 132 H CB -1.402 28.297 29.762 -0.105 0.000 1.325 132 H HN 0.720 nan 8.280 nan 0.000 0.354 133 G N -0.700 107.907 108.800 -0.320 0.000 2.284 133 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.201 133 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.201 133 G C 1.120 175.851 174.900 -0.281 0.000 0.998 133 G CA 0.753 45.616 45.100 -0.395 0.000 0.651 133 G HN 0.544 nan 8.290 nan 0.000 0.489 134 R N 1.345 121.733 120.500 -0.187 0.000 2.091 134 R HA 0.015 4.354 4.340 -0.000 0.000 0.238 134 R C 1.103 177.342 176.300 -0.102 0.000 1.136 134 R CA 2.314 58.364 56.100 -0.085 0.000 0.959 134 R CB -0.309 29.951 30.300 -0.067 0.000 0.856 134 R HN 0.622 nan 8.270 nan 0.000 0.437 135 T N -3.041 111.350 114.554 -0.272 0.000 2.906 135 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 135 T C -1.110 173.309 174.700 -0.468 0.000 1.061 135 T CA -0.980 61.004 62.100 -0.193 0.000 1.000 135 T CB 1.445 70.257 68.868 -0.094 0.000 1.103 135 T HN 0.244 nan 8.240 nan 0.000 0.486 136 W N 0.778 122.088 121.300 0.016 0.000 2.762 136 W HA 0.661 5.321 4.660 -0.000 0.000 0.355 136 W C 0.683 177.205 176.519 0.005 0.000 1.124 136 W CA -0.757 56.596 57.345 0.014 0.000 1.141 136 W CB 1.552 31.031 29.460 0.033 0.000 1.432 136 W HN 0.966 nan 8.180 nan 0.000 0.586 137 S N -0.274 115.587 115.700 0.267 0.000 2.686 137 S HA 0.520 4.990 4.470 -0.000 0.000 0.270 137 S C 0.049 174.753 174.600 0.173 0.000 1.194 137 S CA -0.760 57.531 58.200 0.152 0.000 0.990 137 S CB 1.199 64.463 63.200 0.107 0.000 1.029 137 S HN 0.380 nan 8.310 nan 0.000 0.560 138 S N 2.300 118.072 115.700 0.119 0.000 2.565 138 S HA 0.382 4.852 4.470 -0.000 0.000 0.276 138 S C -2.335 172.339 174.600 0.124 0.000 1.326 138 S CA -1.535 56.731 58.200 0.109 0.000 1.045 138 S CB -0.139 63.108 63.200 0.078 0.000 0.918 138 S HN 0.653 nan 8.310 nan 0.000 0.505 139 P HA 0.024 nan 4.420 nan 0.000 0.264 139 P C -0.991 176.374 177.300 0.108 0.000 1.183 139 P CA 0.134 63.334 63.100 0.167 0.000 0.763 139 P CB 0.213 32.032 31.700 0.199 0.000 0.807 140 R N 2.603 123.157 120.500 0.089 0.000 2.407 140 R HA 0.159 4.499 4.340 -0.000 0.000 0.298 140 R C -0.454 175.842 176.300 -0.007 0.000 1.166 140 R CA -0.587 55.546 56.100 0.055 0.000 1.006 140 R CB 0.230 30.587 30.300 0.095 0.000 1.145 140 R HN 0.320 nan 8.270 nan 0.000 0.538 141 D N 5.183 125.561 120.400 -0.038 0.000 2.412 141 D HA -0.042 4.598 4.640 -0.000 0.000 0.257 141 D C 0.327 176.581 176.300 -0.075 0.000 1.217 141 D CA 0.105 54.049 54.000 -0.093 0.000 0.897 141 D CB 0.829 41.578 40.800 -0.085 0.000 1.132 141 D HN 0.653 nan 8.370 nan 0.000 0.493 142 L N 3.427 124.578 121.223 -0.120 0.000 2.791 142 L HA 0.104 4.444 4.340 -0.000 0.000 0.239 142 L C 1.865 178.652 176.870 -0.138 0.000 1.203 142 L CA -0.389 54.379 54.840 -0.119 0.000 1.002 142 L CB -0.183 41.741 42.059 -0.225 0.000 1.295 142 L HN 0.288 nan 8.230 nan 0.000 0.504 143 T N -0.485 114.003 114.554 -0.110 0.000 2.588 143 T HA -0.157 4.192 4.350 -0.000 0.000 0.261 143 T C 1.345 175.977 174.700 -0.113 0.000 1.069 143 T CA 1.590 63.625 62.100 -0.108 0.000 1.172 143 T CB -0.084 68.716 68.868 -0.114 0.000 0.863 143 T HN 0.315 nan 8.240 nan 0.000 0.408 144 D N 1.347 121.674 120.400 -0.123 0.000 2.203 144 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 144 D C 2.153 178.427 176.300 -0.043 0.000 0.997 144 D CA 1.365 55.305 54.000 -0.100 0.000 0.863 144 D CB -0.404 40.346 40.800 -0.084 0.000 0.928 144 D HN 0.438 nan 8.370 nan 0.000 0.458 145 A N 0.593 123.406 122.820 -0.012 0.000 1.855 145 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 145 A C 2.263 179.897 177.584 0.083 0.000 1.195 145 A CA 1.751 53.815 52.037 0.046 0.000 0.610 145 A CB -0.623 18.430 19.000 0.089 0.000 0.837 145 A HN 0.223 nan 8.150 nan 0.000 0.444 146 A N -0.728 122.129 122.820 0.060 0.000 1.930 146 A HA 0.181 4.501 4.320 -0.000 0.000 0.215 146 A C 2.017 179.717 177.584 0.195 0.000 1.176 146 A CA 1.431 53.549 52.037 0.135 0.000 0.632 146 A CB -0.351 18.575 19.000 -0.124 0.000 0.819 146 A HN 0.467 nan 8.150 nan 0.000 0.445 147 I N -2.514 118.088 120.570 0.054 0.000 3.136 147 I HA 0.236 4.406 4.170 -0.000 0.000 0.262 147 I C 2.069 178.121 176.117 -0.108 0.000 1.132 147 I CA 0.621 61.897 61.300 -0.041 0.000 1.450 147 I CB -0.699 37.184 38.000 -0.195 0.000 1.315 147 I HN 0.444 nan 8.210 nan 0.000 0.460 148 G N 2.165 110.912 108.800 -0.088 0.000 2.692 148 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.339 148 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.339 148 G C -1.122 173.718 174.900 -0.098 0.000 1.226 148 G CA 0.805 45.853 45.100 -0.086 0.000 0.979 148 G HN 0.187 nan 8.290 nan 0.000 0.549 149 P HA -0.088 nan 4.420 nan 0.000 0.212 149 P C 2.244 179.448 177.300 -0.160 0.000 1.174 149 P CA 3.241 66.287 63.100 -0.090 0.000 0.934 149 P CB -0.515 31.148 31.700 -0.062 0.000 0.791 150 A N -2.173 120.490 122.820 -0.261 0.000 2.194 150 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 150 A C 2.097 179.157 177.584 -0.875 0.000 1.162 150 A CA 1.215 52.950 52.037 -0.503 0.000 0.674 150 A CB -1.935 16.747 19.000 -0.530 0.000 0.789 150 A HN 0.211 nan 8.150 nan 0.000 0.470 151 Y N 1.386 121.262 120.300 -0.705 0.000 2.193 151 Y HA -0.329 4.221 4.550 -0.000 0.000 0.285 151 Y C 2.451 178.151 175.900 -0.334 0.000 1.166 151 Y CA 2.412 60.159 58.100 -0.589 0.000 1.181 151 Y CB -0.119 38.152 38.460 -0.314 0.000 0.976 151 Y HN 0.546 nan 8.280 nan 0.000 0.520 152 R N -0.209 120.225 120.500 -0.111 0.000 2.275 152 R HA 0.015 4.354 4.340 -0.000 0.000 0.199 152 R C 1.283 177.539 176.300 -0.073 0.000 0.989 152 R CA 1.288 57.363 56.100 -0.042 0.000 1.016 152 R CB -0.437 29.875 30.300 0.019 0.000 0.918 152 R HN 0.352 nan 8.270 nan 0.000 0.473 153 E N 0.020 120.121 120.200 -0.165 0.000 2.435 153 E HA -0.000 4.350 4.350 -0.000 0.000 0.195 153 E C -0.512 176.214 176.600 0.211 0.000 1.029 153 E CA 0.126 56.517 56.400 -0.015 0.000 0.865 153 E CB 0.188 29.878 29.700 -0.016 0.000 0.833 153 E HN 0.279 nan 8.360 nan 0.000 0.510 154 W N -0.073 121.184 121.300 -0.072 0.000 2.606 154 W HA 0.315 4.975 4.660 -0.000 0.000 0.332 154 W C 0.924 177.418 176.519 -0.042 0.000 1.052 154 W CA -1.610 55.705 57.345 -0.050 0.000 1.223 154 W CB 0.984 30.418 29.460 -0.043 0.000 1.383 154 W HN -0.226 nan 8.180 nan 0.000 0.524 155 S N 0.532 116.382 115.700 0.250 0.000 2.436 155 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 155 S C 0.575 175.250 174.600 0.125 0.000 1.014 155 S CA 1.127 59.406 58.200 0.132 0.000 0.950 155 S CB 0.187 63.433 63.200 0.075 0.000 0.784 155 S HN 0.564 nan 8.310 nan 0.000 0.504 156 T N -0.053 114.644 114.554 0.238 0.000 2.886 156 T HA 0.466 4.816 4.350 -0.000 0.000 0.341 156 T C -2.024 172.882 174.700 0.344 0.000 1.839 156 T CA -0.887 61.353 62.100 0.233 0.000 1.052 156 T CB 0.340 69.243 68.868 0.058 0.000 1.715 156 T HN 0.191 nan 8.240 nan 0.000 0.504 157 F N 0.785 120.782 119.950 0.078 0.000 2.706 157 F HA 1.017 5.544 4.527 -0.000 0.000 0.328 157 F C -0.797 174.895 175.800 -0.181 0.000 1.123 157 F CA -0.763 57.185 58.000 -0.088 0.000 0.978 157 F CB 1.137 40.203 39.000 0.108 0.000 1.404 157 F HN 0.930 nan 8.300 nan 0.000 0.497 158 A N 0.468 123.037 122.820 -0.419 0.000 2.608 158 A HA 0.680 5.000 4.320 -0.000 0.000 0.292 158 A C -1.635 175.873 177.584 -0.127 0.000 1.066 158 A CA -0.317 51.480 52.037 -0.401 0.000 0.676 158 A CB 1.225 19.985 19.000 -0.399 0.000 1.277 158 A HN 1.860 nan 8.150 nan 0.000 0.413 159 V N -0.036 119.870 119.914 -0.015 0.000 2.513 159 V HA 0.899 5.019 4.120 -0.000 0.000 0.299 159 V C 0.957 177.098 176.094 0.079 0.000 1.035 159 V CA 0.412 62.730 62.300 0.030 0.000 0.889 159 V CB 0.334 32.155 31.823 -0.003 0.000 0.988 159 V HN 2.920 nan 8.190 nan 0.000 0.440 160 G N 4.684 113.525 108.800 0.068 0.000 2.591 160 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.298 160 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.298 160 G C -1.923 173.080 174.900 0.171 0.000 1.195 160 G CA 0.263 45.423 45.100 0.101 0.000 0.989 160 G HN 1.012 nan 8.290 nan 0.000 0.551 161 P HA 0.516 nan 4.420 nan 0.000 0.274 161 P C 0.463 177.881 177.300 0.197 0.000 1.246 161 P CA 1.555 64.778 63.100 0.205 0.000 0.795 161 P CB 1.103 32.969 31.700 0.276 0.000 1.006 162 G N 0.021 108.953 108.800 0.220 0.000 2.423 162 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.684 162 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.684 162 G C -0.428 174.643 174.900 0.284 0.000 1.309 162 G CA -0.606 44.670 45.100 0.294 0.000 0.950 162 G HN 1.032 nan 8.290 nan 0.000 0.587 163 H N -1.051 118.152 119.070 0.223 0.000 2.964 163 H HA 0.478 5.034 4.556 -0.000 0.000 0.368 163 H C 0.719 176.178 175.328 0.220 0.000 1.212 163 H CA 0.709 56.901 56.048 0.240 0.000 1.421 163 H CB -0.233 29.693 29.762 0.272 0.000 1.385 163 H HN 0.775 nan 8.280 nan 0.000 0.614 164 C N 1.006 120.417 119.300 0.185 0.000 2.711 164 C HA 0.630 5.090 4.460 -0.000 0.000 0.410 164 C C 0.359 175.433 174.990 0.139 0.000 1.553 164 C CA -0.696 58.383 59.018 0.101 0.000 1.759 164 C CB 1.315 29.181 27.740 0.210 0.000 2.077 164 C HN 0.768 nan 8.230 nan 0.000 0.483 165 L N 1.034 122.336 121.223 0.131 0.000 2.354 165 L HA 0.590 4.930 4.340 -0.000 0.000 0.264 165 L C -0.778 176.183 176.870 0.153 0.000 1.008 165 L CA 0.007 54.940 54.840 0.155 0.000 0.819 165 L CB 1.676 43.804 42.059 0.115 0.000 1.339 165 L HN 0.787 nan 8.230 nan 0.000 0.420 166 Q N 3.682 123.578 119.800 0.160 0.000 2.337 166 Q HA 0.476 4.816 4.340 -0.000 0.000 0.260 166 Q C -1.620 174.448 176.000 0.114 0.000 0.982 166 Q CA -0.569 55.313 55.803 0.132 0.000 0.734 166 Q CB 1.164 30.002 28.738 0.167 0.000 1.272 166 Q HN 0.737 nan 8.270 nan 0.000 0.461 167 L N 2.593 123.863 121.223 0.079 0.000 2.482 167 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 167 L C 0.581 177.494 176.870 0.072 0.000 1.228 167 L CA 0.277 55.159 54.840 0.070 0.000 0.827 167 L CB 0.221 42.309 42.059 0.048 0.000 1.099 167 L HN 0.704 nan 8.230 nan 0.000 0.494 168 N N 0.374 119.114 118.700 0.066 0.000 2.455 168 N HA 0.023 4.763 4.740 -0.000 0.000 0.258 168 N C -0.878 174.658 175.510 0.044 0.000 1.158 168 N CA -0.438 52.649 53.050 0.062 0.000 0.893 168 N CB 0.127 38.651 38.487 0.061 0.000 1.173 168 N HN 0.605 nan 8.380 nan 0.000 0.503 169 D N -0.936 119.488 120.400 0.039 0.000 2.478 169 D HA 0.167 4.807 4.640 -0.000 0.000 0.263 169 D C 1.230 177.545 176.300 0.024 0.000 1.153 169 D CA -0.635 53.379 54.000 0.024 0.000 1.038 169 D CB 0.880 41.691 40.800 0.019 0.000 1.120 169 D HN -0.249 nan 8.370 nan 0.000 0.564 170 R N 0.158 120.662 120.500 0.008 0.000 2.133 170 R HA -0.130 4.210 4.340 -0.000 0.000 0.245 170 R C 1.931 178.242 176.300 0.018 0.000 1.137 170 R CA 2.555 58.659 56.100 0.008 0.000 0.947 170 R CB -1.131 29.161 30.300 -0.014 0.000 0.865 170 R HN 0.628 nan 8.270 nan 0.000 0.437 171 A N -0.106 122.715 122.820 0.001 0.000 2.238 171 A HA 0.085 4.404 4.320 -0.000 0.000 0.208 171 A C -0.118 177.435 177.584 -0.051 0.000 1.177 171 A CA 0.042 52.065 52.037 -0.024 0.000 0.804 171 A CB -0.169 18.810 19.000 -0.035 0.000 0.823 171 A HN 0.329 nan 8.150 nan 0.000 0.482 172 R N 0.665 121.177 120.500 0.020 0.000 3.158 172 R HA -0.128 4.212 4.340 -0.000 0.000 0.244 172 R C -0.389 175.892 176.300 -0.032 0.000 0.900 172 R CA 0.716 56.844 56.100 0.047 0.000 0.618 172 R CB -2.437 27.946 30.300 0.138 0.000 1.061 172 R HN 0.593 nan 8.270 nan 0.000 0.471 173 S N 0.661 116.335 115.700 -0.043 0.000 2.566 173 S HA 0.194 4.664 4.470 -0.000 0.000 0.280 173 S C 1.010 175.542 174.600 -0.113 0.000 1.343 173 S CA -0.279 57.845 58.200 -0.126 0.000 1.036 173 S CB 1.055 64.222 63.200 -0.055 0.000 0.866 173 S HN 0.284 nan 8.310 nan 0.000 0.526 174 L N 2.144 123.242 121.223 -0.209 0.000 2.295 174 L HA 0.549 4.889 4.340 -0.000 0.000 0.285 174 L C -0.816 176.053 176.870 -0.002 0.000 1.035 174 L CA -0.772 54.021 54.840 -0.078 0.000 0.806 174 L CB 1.201 43.183 42.059 -0.129 0.000 1.214 174 L HN 0.342 nan 8.230 nan 0.000 0.426 175 V N 4.141 124.099 119.914 0.073 0.000 2.487 175 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 175 V C -0.189 175.933 176.094 0.047 0.000 1.028 175 V CA -0.625 61.717 62.300 0.070 0.000 0.860 175 V CB 2.304 34.155 31.823 0.048 0.000 0.991 175 V HN 0.426 nan 8.190 nan 0.000 0.427 176 V N 7.378 127.282 119.914 -0.017 0.000 2.326 176 V HA 0.376 4.495 4.120 -0.000 0.000 0.281 176 V C -2.093 173.917 176.094 -0.140 0.000 1.015 176 V CA -1.791 60.420 62.300 -0.148 0.000 0.823 176 V CB 1.860 33.389 31.823 -0.490 0.000 1.009 176 V HN 0.724 nan 8.190 nan 0.000 0.436 177 P HA 0.410 nan 4.420 nan 0.000 0.269 177 P C -0.504 176.658 177.300 -0.229 0.000 1.209 177 P CA 0.284 63.285 63.100 -0.165 0.000 0.776 177 P CB 1.649 33.294 31.700 -0.092 0.000 0.876 178 A N 2.626 125.189 122.820 -0.428 0.000 2.564 178 A HA 0.759 5.079 4.320 -0.000 0.000 0.291 178 A C -1.814 175.548 177.584 -0.371 0.000 1.102 178 A CA -0.619 51.134 52.037 -0.473 0.000 0.660 178 A CB 1.116 19.651 19.000 -0.775 0.000 1.283 178 A HN 0.652 nan 8.150 nan 0.000 0.430 179 Y N -2.392 117.843 120.300 -0.108 0.000 2.625 179 Y HA 0.904 5.453 4.550 -0.000 0.000 0.338 179 Y C -0.546 175.486 175.900 0.221 0.000 1.123 179 Y CA -0.842 57.344 58.100 0.144 0.000 1.046 179 Y CB 1.225 39.666 38.460 -0.032 0.000 1.299 179 Y HN 1.771 nan 8.280 nan 0.000 0.464 180 A N 1.255 124.096 122.820 0.035 0.000 2.574 180 A HA 0.648 4.967 4.320 -0.000 0.000 0.297 180 A C -2.509 174.839 177.584 -0.392 0.000 1.062 180 A CA -0.846 50.978 52.037 -0.355 0.000 0.686 180 A CB 0.875 19.220 19.000 -1.091 0.000 1.285 180 A HN 0.737 nan 8.150 nan 0.000 0.403 181 Y N 2.389 122.595 120.300 -0.156 0.000 2.452 181 Y HA 0.399 4.949 4.550 -0.000 0.000 0.348 181 Y C 1.226 177.055 175.900 -0.118 0.000 0.985 181 Y CA 0.258 58.306 58.100 -0.087 0.000 1.214 181 Y CB 0.820 39.282 38.460 0.003 0.000 1.136 181 Y HN 0.626 nan 8.280 nan 0.000 0.523 182 R N 2.644 123.083 120.500 -0.102 0.000 2.393 182 R HA 0.455 4.795 4.340 -0.000 0.000 0.310 182 R C -1.029 175.276 176.300 0.009 0.000 0.968 182 R CA -1.081 54.979 56.100 -0.067 0.000 0.867 182 R CB 1.209 31.319 30.300 -0.317 0.000 1.124 182 R HN 0.503 nan 8.270 nan 0.000 0.450 183 K N 3.710 124.150 120.400 0.067 0.000 2.167 183 K HA 0.123 4.443 4.320 -0.000 0.000 0.275 183 K C 0.620 177.239 176.600 0.033 0.000 1.103 183 K CA -0.017 56.304 56.287 0.057 0.000 0.963 183 K CB 0.437 32.975 32.500 0.063 0.000 1.243 183 K HN 0.547 nan 8.250 nan 0.000 0.407 184 L N 0.585 121.825 121.223 0.028 0.000 2.269 184 L HA 0.089 4.429 4.340 -0.000 0.000 0.200 184 L C 1.131 178.034 176.870 0.055 0.000 1.069 184 L CA 0.301 55.153 54.840 0.021 0.000 0.804 184 L CB -0.019 42.041 42.059 0.001 0.000 0.987 184 L HN 0.616 nan 8.230 nan 0.000 0.468 185 H N 0.435 119.497 119.070 -0.013 0.000 2.529 185 H HA 0.237 4.793 4.556 -0.000 0.000 0.348 185 H C -2.022 173.304 175.328 -0.003 0.000 1.152 185 H CA -1.847 54.196 56.048 -0.008 0.000 1.202 185 H CB 2.398 32.154 29.762 -0.010 0.000 1.562 185 H HN -0.197 nan 8.280 nan 0.000 0.515 186 P HA -0.053 nan 4.420 nan 0.000 0.222 186 P C 1.130 178.570 177.300 0.233 0.000 1.153 186 P CA 0.732 63.895 63.100 0.104 0.000 0.798 186 P CB 0.777 32.454 31.700 -0.037 0.000 0.796 187 I N -2.282 118.606 120.570 0.530 0.000 2.900 187 I HA 0.060 4.230 4.170 -0.000 0.000 0.251 187 I C 1.050 177.168 176.117 0.002 0.000 1.102 187 I CA 0.506 61.920 61.300 0.190 0.000 1.457 187 I CB -1.586 36.498 38.000 0.139 0.000 1.285 187 I HN -0.030 nan 8.210 nan 0.000 0.459 188 Q N 3.246 122.882 119.800 -0.273 0.000 2.414 188 Q HA -0.040 4.299 4.340 -0.000 0.000 0.288 188 Q C 0.385 176.350 176.000 -0.058 0.000 1.086 188 Q CA 0.108 55.756 55.803 -0.257 0.000 0.943 188 Q CB 0.413 28.910 28.738 -0.402 0.000 1.282 188 Q HN 0.326 nan 8.270 nan 0.000 0.438 189 R N 1.501 121.971 120.500 -0.051 0.000 2.438 189 R HA 0.368 4.708 4.340 -0.000 0.000 0.287 189 R C -2.563 173.746 176.300 0.016 0.000 1.077 189 R CA -1.891 54.204 56.100 -0.010 0.000 1.034 189 R CB -1.046 29.245 30.300 -0.015 0.000 0.993 189 R HN 0.215 nan 8.270 nan 0.000 0.459 190 P HA 0.093 nan 4.420 nan 0.000 0.265 190 P C -0.376 176.986 177.300 0.104 0.000 1.187 190 P CA 0.248 63.397 63.100 0.081 0.000 0.766 190 P CB 0.420 32.195 31.700 0.124 0.000 0.820 191 I N 5.015 125.589 120.570 0.007 0.000 2.377 191 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 191 I C -2.070 173.909 176.117 -0.230 0.000 0.987 191 I CA -2.645 58.603 61.300 -0.086 0.000 1.185 191 I CB 2.243 40.169 38.000 -0.125 0.000 1.341 191 I HN 0.190 nan 8.210 nan 0.000 0.455 192 P HA 0.258 nan 4.420 nan 0.000 0.281 192 P C -0.999 176.105 177.300 -0.326 0.000 1.249 192 P CA -0.353 62.384 63.100 -0.604 0.000 0.810 192 P CB 1.576 32.687 31.700 -0.982 0.000 1.008 193 S N 0.176 115.748 115.700 -0.214 0.000 2.546 193 S HA 0.582 5.052 4.470 -0.000 0.000 0.272 193 S C -0.336 174.409 174.600 0.242 0.000 1.140 193 S CA -0.517 57.656 58.200 -0.045 0.000 0.920 193 S CB 1.560 64.672 63.200 -0.147 0.000 1.083 193 S HN 0.682 nan 8.310 nan 0.000 0.476 194 A N 2.152 125.077 122.820 0.175 0.000 2.327 194 A HA 0.934 5.254 4.320 -0.000 0.000 0.255 194 A C -0.235 177.539 177.584 0.317 0.000 1.099 194 A CA 0.023 52.172 52.037 0.185 0.000 0.801 194 A CB -0.156 18.814 19.000 -0.051 0.000 1.062 194 A HN 1.523 nan 8.150 nan 0.000 0.496 195 F N -2.986 116.886 119.950 -0.129 0.000 3.174 195 F HA 0.496 5.023 4.527 -0.000 0.000 0.333 195 F C -1.395 174.282 175.800 -0.204 0.000 1.090 195 F CA -1.588 56.285 58.000 -0.211 0.000 0.853 195 F CB -0.039 38.672 39.000 -0.481 0.000 1.463 195 F HN 0.668 nan 8.300 nan 0.000 0.451 196 C N 0.790 119.908 119.300 -0.303 0.000 2.889 196 C HA 0.773 5.233 4.460 -0.000 0.000 0.307 196 C C -1.062 173.727 174.990 -0.336 0.000 1.251 196 C CA -0.757 58.029 59.018 -0.386 0.000 1.593 196 C CB 1.475 29.177 27.740 -0.064 0.000 2.104 196 C HN 0.636 nan 8.230 nan 0.000 0.476 197 F N 1.950 121.809 119.950 -0.153 0.000 2.404 197 F HA 0.663 5.190 4.527 -0.000 0.000 0.339 197 F C -0.025 175.863 175.800 0.147 0.000 1.105 197 F CA -0.485 57.521 58.000 0.010 0.000 1.087 197 F CB 0.880 39.743 39.000 -0.228 0.000 1.143 197 F HN 0.117 nan 8.300 nan 0.000 0.491 198 L N 2.462 123.892 121.223 0.344 0.000 2.346 198 L HA 0.544 4.884 4.340 -0.000 0.000 0.276 198 L C -0.301 176.433 176.870 -0.227 0.000 1.006 198 L CA -0.569 54.300 54.840 0.047 0.000 0.817 198 L CB 1.766 43.754 42.059 -0.118 0.000 1.272 198 L HN 0.528 nan 8.230 nan 0.000 0.421 199 S N 1.377 116.659 115.700 -0.698 0.000 2.538 199 S HA 0.560 5.029 4.470 -0.000 0.000 0.288 199 S C -0.118 173.939 174.600 -0.905 0.000 1.108 199 S CA -0.419 57.150 58.200 -1.052 0.000 0.971 199 S CB 0.666 62.728 63.200 -1.897 0.000 1.041 199 S HN 0.687 nan 8.310 nan 0.000 0.483 200 H N 2.451 121.286 119.070 -0.392 0.000 3.058 200 H HA 0.192 4.748 4.556 -0.000 0.000 0.266 200 H C -0.436 174.674 175.328 -0.362 0.000 1.135 200 H CA 0.164 56.020 56.048 -0.320 0.000 1.174 200 H CB 0.528 30.166 29.762 -0.207 0.000 1.581 200 H HN 0.695 nan 8.280 nan 0.000 0.553 201 D N -0.537 119.695 120.400 -0.279 0.000 2.643 201 D HA 0.033 4.672 4.640 -0.000 0.000 0.244 201 D C -0.089 176.135 176.300 -0.126 0.000 1.257 201 D CA -0.501 53.392 54.000 -0.177 0.000 0.831 201 D CB -0.459 40.287 40.800 -0.090 0.000 1.043 201 D HN 0.094 nan 8.370 nan 0.000 0.488 202 H N -0.114 118.880 119.070 -0.127 0.000 2.791 202 H HA -0.147 4.409 4.556 -0.000 0.000 0.302 202 H C 1.485 176.818 175.328 0.008 0.000 1.198 202 H CA 1.043 57.061 56.048 -0.049 0.000 1.145 202 H CB -1.485 28.294 29.762 0.029 0.000 1.385 202 H HN 0.672 nan 8.280 nan 0.000 0.409 203 G N -0.802 107.870 108.800 -0.213 0.000 2.194 203 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.236 203 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.236 203 G C 1.222 176.117 174.900 -0.009 0.000 0.987 203 G CA 0.832 45.876 45.100 -0.093 0.000 0.635 203 G HN 0.501 nan 8.290 nan 0.000 0.520 204 R N 1.147 121.616 120.500 -0.053 0.000 2.082 204 R HA 0.109 4.449 4.340 -0.000 0.000 0.234 204 R C 1.877 178.156 176.300 -0.035 0.000 1.136 204 R CA 2.484 58.587 56.100 0.005 0.000 0.935 204 R CB -0.458 29.839 30.300 -0.006 0.000 0.842 204 R HN 0.819 nan 8.270 nan 0.000 0.430 205 T N -3.550 110.884 114.554 -0.200 0.000 2.906 205 T HA 0.558 4.907 4.350 -0.000 0.000 0.295 205 T C -0.890 173.554 174.700 -0.427 0.000 1.075 205 T CA -0.990 61.025 62.100 -0.141 0.000 1.005 205 T CB 1.431 70.272 68.868 -0.046 0.000 1.136 205 T HN 0.214 nan 8.240 nan 0.000 0.498 206 W N 0.281 121.586 121.300 0.008 0.000 2.869 206 W HA 0.826 5.486 4.660 -0.000 0.000 0.345 206 W C -0.334 176.209 176.519 0.039 0.000 1.191 206 W CA -0.819 56.526 57.345 0.002 0.000 1.104 206 W CB 1.854 31.315 29.460 0.002 0.000 1.471 206 W HN 1.082 nan 8.180 nan 0.000 0.612 207 A N 0.830 123.871 122.820 0.367 0.000 2.530 207 A HA 0.565 4.884 4.320 -0.000 0.000 0.297 207 A C -1.261 176.449 177.584 0.210 0.000 1.059 207 A CA -1.066 51.106 52.037 0.225 0.000 0.782 207 A CB 0.885 19.951 19.000 0.110 0.000 1.301 207 A HN 0.656 nan 8.150 nan 0.000 0.394 208 R N 1.578 122.171 120.500 0.156 0.000 2.399 208 R HA 0.353 4.692 4.340 -0.000 0.000 0.324 208 R C 1.088 177.313 176.300 -0.124 0.000 1.030 208 R CA 0.723 56.823 56.100 0.002 0.000 0.984 208 R CB 0.679 30.968 30.300 -0.018 0.000 0.961 208 R HN 0.892 nan 8.270 nan 0.000 0.433 209 G N 1.981 110.711 108.800 -0.116 0.000 2.716 209 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.251 209 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.251 209 G C -0.204 174.530 174.900 -0.276 0.000 1.224 209 G CA -0.541 44.435 45.100 -0.206 0.000 0.891 209 G HN 0.546 nan 8.290 nan 0.000 0.561 210 H N -1.061 117.950 119.070 -0.098 0.000 2.505 210 H HA 0.378 4.933 4.556 -0.000 0.000 0.358 210 H C -0.063 175.136 175.328 -0.214 0.000 1.304 210 H CA -0.725 55.200 56.048 -0.204 0.000 1.393 210 H CB 0.539 30.279 29.762 -0.036 0.000 1.591 210 H HN 0.243 nan 8.280 nan 0.000 0.595 211 F N -0.283 119.775 119.950 0.179 0.000 2.403 211 F HA 0.228 4.755 4.527 -0.000 0.000 0.320 211 F C 0.720 176.584 175.800 0.108 0.000 1.176 211 F CA -0.326 57.726 58.000 0.087 0.000 1.206 211 F CB 0.628 39.606 39.000 -0.036 0.000 1.235 211 F HN 0.097 nan 8.300 nan 0.000 0.565 212 V N 1.975 122.042 119.914 0.256 0.000 2.540 212 V HA 0.781 4.901 4.120 -0.000 0.000 0.302 212 V C -0.253 175.877 176.094 0.061 0.000 1.035 212 V CA -1.174 61.183 62.300 0.096 0.000 0.873 212 V CB 0.979 32.730 31.823 -0.121 0.000 0.992 212 V HN 1.066 nan 8.190 nan 0.000 0.428 213 A N 7.144 129.988 122.820 0.040 0.000 2.608 213 A HA 0.039 4.359 4.320 -0.000 0.000 0.247 213 A C 0.819 178.385 177.584 -0.030 0.000 0.972 213 A CA 0.692 52.732 52.037 0.005 0.000 0.838 213 A CB -0.215 18.786 19.000 0.002 0.000 0.856 213 A HN 1.193 nan 8.150 nan 0.000 0.478 214 Q N 1.327 121.095 119.800 -0.053 0.000 2.411 214 Q HA -0.093 4.247 4.340 -0.000 0.000 0.348 214 Q C -0.170 175.778 176.000 -0.086 0.000 1.261 214 Q CA 0.987 56.734 55.803 -0.092 0.000 1.040 214 Q CB -0.165 28.520 28.738 -0.088 0.000 1.263 214 Q HN 0.791 nan 8.270 nan 0.000 0.435 215 D N -0.298 120.020 120.400 -0.137 0.000 2.718 215 D HA -0.114 4.526 4.640 -0.000 0.000 0.242 215 D C -0.815 175.433 176.300 -0.088 0.000 1.123 215 D CA 1.537 55.454 54.000 -0.137 0.000 0.690 215 D CB -1.735 39.027 40.800 -0.064 0.000 1.059 215 D HN 0.733 nan 8.370 nan 0.000 0.429 216 T N -1.690 112.779 114.554 -0.142 0.000 2.881 216 T HA 0.723 5.072 4.350 -0.000 0.000 0.291 216 T C 0.673 175.234 174.700 -0.230 0.000 0.990 216 T CA -0.933 61.080 62.100 -0.145 0.000 0.976 216 T CB 2.196 71.000 68.868 -0.106 0.000 0.970 216 T HN 0.065 nan 8.240 nan 0.000 0.438 217 L N 0.863 121.891 121.223 -0.325 0.000 2.783 217 L HA 0.528 4.868 4.340 -0.000 0.000 0.205 217 L C 0.700 177.166 176.870 -0.673 0.000 1.985 217 L CA -1.548 52.875 54.840 -0.696 0.000 2.546 217 L CB 0.044 41.736 42.059 -0.613 0.000 2.829 217 L HN 0.636 nan 8.230 nan 0.000 0.614 218 E N 0.431 120.127 120.200 -0.839 0.000 2.608 218 E HA 0.027 4.377 4.350 -0.000 0.000 0.259 218 E C -0.669 175.845 176.600 -0.143 0.000 0.951 218 E CA -0.048 56.187 56.400 -0.275 0.000 0.945 218 E CB 0.108 29.715 29.700 -0.155 0.000 0.916 218 E HN 0.503 nan 8.360 nan 0.000 0.477 219 C N 1.295 120.568 119.300 -0.045 0.000 3.256 219 C HA 0.767 5.227 4.460 -0.000 0.000 0.361 219 C C -0.597 174.372 174.990 -0.036 0.000 1.665 219 C CA -0.758 58.220 59.018 -0.066 0.000 1.445 219 C CB 1.365 29.041 27.740 -0.107 0.000 2.144 219 C HN 0.871 nan 8.230 nan 0.000 0.448 220 Q N -0.485 119.292 119.800 -0.037 0.000 2.647 220 Q HA 0.654 4.994 4.340 -0.000 0.000 0.283 220 Q C -1.528 174.474 176.000 0.004 0.000 0.943 220 Q CA -0.490 55.298 55.803 -0.024 0.000 0.813 220 Q CB 2.617 31.366 28.738 0.018 0.000 1.477 220 Q HN 1.251 nan 8.270 nan 0.000 0.393 221 V N -1.914 118.009 119.914 0.016 0.000 3.130 221 V HA 1.096 5.216 4.120 -0.000 0.000 0.310 221 V C -1.358 174.809 176.094 0.121 0.000 1.158 221 V CA -0.464 61.887 62.300 0.086 0.000 1.029 221 V CB 1.711 33.605 31.823 0.118 0.000 1.057 221 V HN 0.902 nan 8.190 nan 0.000 0.436 222 A N 1.089 124.003 122.820 0.157 0.000 2.572 222 A HA 0.840 5.159 4.320 -0.000 0.000 0.295 222 A C -0.945 176.726 177.584 0.145 0.000 1.072 222 A CA -0.555 51.588 52.037 0.176 0.000 0.691 222 A CB 1.952 21.080 19.000 0.214 0.000 1.291 222 A HN 1.121 nan 8.150 nan 0.000 0.404 223 E N 0.161 120.441 120.200 0.133 0.000 2.202 223 E HA 0.692 5.042 4.350 -0.000 0.000 0.272 223 E C -0.706 175.945 176.600 0.085 0.000 0.951 223 E CA -0.613 55.846 56.400 0.099 0.000 0.813 223 E CB 1.770 31.525 29.700 0.091 0.000 1.151 223 E HN 1.226 nan 8.360 nan 0.000 0.398 224 V N 0.195 120.144 119.914 0.058 0.000 3.203 224 V HA 0.624 4.743 4.120 -0.000 0.000 0.305 224 V C -1.115 174.992 176.094 0.022 0.000 1.361 224 V CA -0.864 61.459 62.300 0.038 0.000 1.066 224 V CB 1.735 33.574 31.823 0.027 0.000 1.085 224 V HN 0.773 nan 8.190 nan 0.000 0.456 230 R N 2.193 122.691 120.500 -0.004 0.000 2.246 230 R HA 0.531 4.871 4.340 -0.000 0.000 0.332 230 R C -0.466 175.833 176.300 -0.003 0.000 0.974 230 R CA -0.146 55.956 56.100 0.002 0.000 0.837 230 R CB 0.938 31.240 30.300 0.004 0.000 1.145 230 R HN 0.203 nan 8.270 nan 0.000 0.467 231 V N 1.810 121.728 119.914 0.007 0.000 2.919 231 V HA 0.672 4.792 4.120 -0.000 0.000 0.316 231 V C -0.982 175.130 176.094 0.030 0.000 1.077 231 V CA -0.651 61.653 62.300 0.006 0.000 0.977 231 V CB 2.282 34.112 31.823 0.011 0.000 1.039 231 V HN 0.380 nan 8.190 nan 0.000 0.441 232 V N 3.259 123.191 119.914 0.030 0.000 2.304 232 V HA 0.423 4.543 4.120 -0.000 0.000 0.278 232 V C 0.408 176.619 176.094 0.196 0.000 1.018 232 V CA 0.159 62.512 62.300 0.089 0.000 0.814 232 V CB 1.105 32.954 31.823 0.044 0.000 1.021 232 V HN 1.164 nan 8.190 nan 0.000 0.440 233 T N 6.056 120.720 114.554 0.184 0.000 2.889 233 T HA 0.628 4.978 4.350 -0.000 0.000 0.291 233 T C -0.682 174.140 174.700 0.203 0.000 0.995 233 T CA -0.146 62.076 62.100 0.204 0.000 1.092 233 T CB 0.778 69.733 68.868 0.144 0.000 0.954 233 T HN 0.513 nan 8.240 nan 0.000 0.506 234 L N 5.063 126.367 121.223 0.136 0.000 2.365 234 L HA 0.636 4.976 4.340 -0.000 0.000 0.273 234 L C -0.675 176.152 176.870 -0.070 0.000 1.000 234 L CA -0.812 54.011 54.840 -0.028 0.000 0.819 234 L CB 1.688 43.533 42.059 -0.357 0.000 1.284 234 L HN 0.569 nan 8.230 nan 0.000 0.418 235 N N 3.743 122.403 118.700 -0.066 0.000 2.483 235 N HA 0.616 5.356 4.740 -0.000 0.000 0.267 235 N C -1.366 174.076 175.510 -0.114 0.000 0.998 235 N CA -0.149 52.836 53.050 -0.109 0.000 0.918 235 N CB 1.981 40.417 38.487 -0.084 0.000 1.215 235 N HN 0.758 nan 8.380 nan 0.000 0.500 236 A N 2.817 125.544 122.820 -0.155 0.000 2.354 236 A HA 0.554 4.874 4.320 -0.000 0.000 0.321 236 A C -0.090 177.406 177.584 -0.147 0.000 1.125 236 A CA -0.814 51.135 52.037 -0.147 0.000 0.799 236 A CB 1.307 20.210 19.000 -0.162 0.000 1.293 236 A HN 0.680 nan 8.150 nan 0.000 0.452 237 R N 1.216 121.630 120.500 -0.144 0.000 2.248 237 R HA 0.395 4.735 4.340 -0.000 0.000 0.328 237 R C -0.131 176.097 176.300 -0.119 0.000 1.067 237 R CA 0.459 56.487 56.100 -0.120 0.000 0.924 237 R CB 0.340 30.559 30.300 -0.133 0.000 1.013 237 R HN 0.846 nan 8.270 nan 0.000 0.454 238 S N 2.966 118.616 115.700 -0.083 0.000 2.621 238 S HA 0.136 4.605 4.470 -0.000 0.000 0.302 238 S C 0.855 175.473 174.600 0.029 0.000 1.093 238 S CA -0.841 57.341 58.200 -0.030 0.000 1.017 238 S CB 1.295 64.467 63.200 -0.047 0.000 1.077 238 S HN 0.877 nan 8.310 nan 0.000 0.517 239 H N 2.597 121.625 119.070 -0.069 0.000 2.547 239 H HA 0.340 4.896 4.556 -0.000 0.000 0.266 239 H C 0.287 175.592 175.328 -0.038 0.000 0.988 239 H CA -0.168 55.856 56.048 -0.040 0.000 1.147 239 H CB -0.550 29.197 29.762 -0.024 0.000 1.365 239 H HN 0.479 nan 8.280 nan 0.000 0.589 240 L N 1.208 122.231 121.223 -0.333 0.000 2.543 240 L HA 0.232 4.572 4.340 -0.000 0.000 0.231 240 L C 1.762 178.510 176.870 -0.204 0.000 1.194 240 L CA -0.508 54.123 54.840 -0.349 0.000 0.823 240 L CB 0.489 42.418 42.059 -0.216 0.000 1.374 240 L HN 0.171 nan 8.230 nan 0.000 0.507 241 R N -0.032 120.364 120.500 -0.173 0.000 2.893 241 R HA 0.593 4.933 4.340 -0.000 0.000 0.317 241 R C -0.542 175.669 176.300 -0.148 0.000 1.239 241 R CA -0.129 55.883 56.100 -0.146 0.000 1.128 241 R CB 0.099 30.308 30.300 -0.152 0.000 1.377 241 R HN 0.522 nan 8.270 nan 0.000 0.583 242 A N 0.822 123.548 122.820 -0.157 0.000 2.599 242 A HA 0.598 4.917 4.320 -0.000 0.000 0.290 242 A C -1.067 176.389 177.584 -0.213 0.000 1.101 242 A CA -1.122 50.801 52.037 -0.190 0.000 0.674 242 A CB 1.269 20.166 19.000 -0.173 0.000 1.277 242 A HN 0.187 nan 8.150 nan 0.000 0.419 243 R N 0.025 120.349 120.500 -0.293 0.000 2.459 243 R HA 0.536 4.876 4.340 -0.000 0.000 0.281 243 R C -0.789 175.359 176.300 -0.253 0.000 1.050 243 R CA -0.428 55.483 56.100 -0.314 0.000 1.055 243 R CB 1.177 31.181 30.300 -0.494 0.000 1.045 243 R HN 0.436 nan 8.270 nan 0.000 0.495 244 V N 2.696 122.485 119.914 -0.208 0.000 2.435 244 V HA 0.256 4.376 4.120 -0.000 0.000 0.290 244 V C 0.114 176.108 176.094 -0.167 0.000 1.030 244 V CA -0.509 61.695 62.300 -0.160 0.000 0.881 244 V CB 1.530 33.278 31.823 -0.125 0.000 0.983 244 V HN 0.587 nan 8.190 nan 0.000 0.445 245 Q N 3.070 122.795 119.800 -0.125 0.000 2.330 245 Q HA 0.759 5.099 4.340 -0.000 0.000 0.269 245 Q C -0.959 175.021 176.000 -0.035 0.000 1.022 245 Q CA -0.536 55.217 55.803 -0.084 0.000 0.796 245 Q CB 1.976 30.691 28.738 -0.039 0.000 1.271 245 Q HN 0.895 nan 8.270 nan 0.000 0.450 246 A N 3.605 126.404 122.820 -0.036 0.000 2.365 246 A HA 0.668 4.987 4.320 -0.000 0.000 0.318 246 A C -1.231 176.507 177.584 0.257 0.000 1.091 246 A CA -0.733 51.340 52.037 0.060 0.000 0.763 246 A CB 1.665 20.604 19.000 -0.102 0.000 1.248 246 A HN 0.687 nan 8.150 nan 0.000 0.442 247 Q N 0.569 120.553 119.800 0.306 0.000 2.306 247 Q HA 0.663 5.003 4.340 -0.000 0.000 0.265 247 Q C -0.674 175.453 176.000 0.211 0.000 1.022 247 Q CA -0.580 55.374 55.803 0.251 0.000 0.853 247 Q CB 1.794 30.599 28.738 0.112 0.000 1.327 247 Q HN 0.647 nan 8.270 nan 0.000 0.449 248 S N 0.156 115.844 115.700 -0.022 0.000 2.557 248 S HA 0.499 4.969 4.470 -0.000 0.000 0.291 248 S C -0.486 174.003 174.600 -0.185 0.000 1.116 248 S CA -0.433 57.555 58.200 -0.353 0.000 0.992 248 S CB 1.003 63.598 63.200 -1.009 0.000 1.028 248 S HN 0.478 nan 8.310 nan 0.000 0.484 249 T N 3.751 118.215 114.554 -0.150 0.000 3.215 249 T HA 0.218 4.568 4.350 -0.000 0.000 0.271 249 T C 0.619 175.262 174.700 -0.096 0.000 1.012 249 T CA -0.303 61.743 62.100 -0.090 0.000 0.899 249 T CB -0.876 67.960 68.868 -0.054 0.000 1.089 249 T HN 0.847 nan 8.240 nan 0.000 0.552 250 N N 0.312 118.927 118.700 -0.141 0.000 2.387 250 N HA 0.130 4.870 4.740 -0.000 0.000 0.259 250 N C -1.072 174.369 175.510 -0.116 0.000 1.369 250 N CA -0.552 52.429 53.050 -0.114 0.000 0.867 250 N CB 0.604 39.027 38.487 -0.107 0.000 1.341 250 N HN -0.191 nan 8.380 nan 0.000 0.495 251 D N 0.117 120.448 120.400 -0.116 0.000 3.017 251 D HA -0.135 4.505 4.640 -0.000 0.000 0.220 251 D C 1.153 177.388 176.300 -0.108 0.000 1.141 251 D CA 1.767 55.722 54.000 -0.074 0.000 0.848 251 D CB -1.532 39.267 40.800 -0.001 0.000 1.102 251 D HN 0.783 nan 8.370 nan 0.000 0.427 252 G N -0.891 107.749 108.800 -0.266 0.000 2.176 252 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.232 252 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.232 252 G C 0.886 175.627 174.900 -0.265 0.000 0.986 252 G CA 0.555 45.460 45.100 -0.325 0.000 0.643 252 G HN 0.489 nan 8.290 nan 0.000 0.522 253 L N 0.693 121.778 121.223 -0.229 0.000 2.141 253 L HA 0.345 4.685 4.340 -0.000 0.000 0.209 253 L C 0.521 177.263 176.870 -0.214 0.000 1.094 253 L CA 2.033 56.737 54.840 -0.226 0.000 0.763 253 L CB -0.017 41.934 42.059 -0.179 0.000 0.908 253 L HN 0.351 nan 8.230 nan 0.000 0.437 254 D N -2.437 117.828 120.400 -0.225 0.000 2.602 254 D HA 0.267 4.907 4.640 -0.000 0.000 0.236 254 D C -1.435 174.664 176.300 -0.335 0.000 1.209 254 D CA -0.295 53.657 54.000 -0.080 0.000 0.831 254 D CB 1.653 42.480 40.800 0.044 0.000 1.478 254 D HN -0.206 nan 8.370 nan 0.000 0.438 255 F N 1.700 121.679 119.950 0.049 0.000 2.434 255 F HA 0.155 4.682 4.527 -0.000 0.000 0.367 255 F C 1.393 177.214 175.800 0.035 0.000 1.093 255 F CA -0.460 57.561 58.000 0.035 0.000 1.085 255 F CB 1.659 40.680 39.000 0.035 0.000 1.322 255 F HN 0.029 nan 8.300 nan 0.000 0.452 256 Q N 0.422 120.278 119.800 0.094 0.000 2.170 256 Q HA -0.115 4.224 4.340 -0.000 0.000 0.203 256 Q C 0.328 176.380 176.000 0.087 0.000 0.976 256 Q CA 1.150 56.996 55.803 0.072 0.000 0.858 256 Q CB 0.019 28.774 28.738 0.027 0.000 0.907 256 Q HN 0.496 nan 8.270 nan 0.000 0.433 257 E N -0.503 119.765 120.200 0.113 0.000 2.272 257 E HA 0.539 4.888 4.350 -0.000 0.000 0.269 257 E C -1.490 175.173 176.600 0.104 0.000 0.877 257 E CA -0.594 55.859 56.400 0.088 0.000 0.755 257 E CB 1.583 31.319 29.700 0.059 0.000 1.192 257 E HN 0.012 nan 8.360 nan 0.000 0.422 258 S N 4.058 119.795 115.700 0.061 0.000 2.533 258 S HA 0.796 5.266 4.470 -0.000 0.000 0.271 258 S C -1.367 173.235 174.600 0.004 0.000 1.143 258 S CA -0.951 57.267 58.200 0.030 0.000 0.891 258 S CB 1.658 64.867 63.200 0.015 0.000 1.105 258 S HN 0.499 nan 8.310 nan 0.000 0.468 259 Q N 1.955 121.744 119.800 -0.018 0.000 2.687 259 Q HA 0.492 4.831 4.340 -0.000 0.000 0.295 259 Q C -1.599 174.366 176.000 -0.058 0.000 0.920 259 Q CA -0.883 54.902 55.803 -0.030 0.000 0.766 259 Q CB 0.967 29.695 28.738 -0.017 0.000 1.467 259 Q HN 0.729 nan 8.270 nan 0.000 0.415 260 L N 0.613 121.797 121.223 -0.064 0.000 2.395 260 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 260 L C -0.441 176.368 176.870 -0.101 0.000 1.133 260 L CA -0.920 53.863 54.840 -0.095 0.000 0.812 260 L CB 1.354 43.361 42.059 -0.087 0.000 1.125 260 L HN 0.402 nan 8.230 nan 0.000 0.452 261 V N 3.292 123.115 119.914 -0.153 0.000 2.380 261 V HA 0.175 4.294 4.120 -0.000 0.000 0.286 261 V C 0.564 176.549 176.094 -0.181 0.000 1.015 261 V CA -0.682 61.521 62.300 -0.161 0.000 0.834 261 V CB 1.201 32.873 31.823 -0.252 0.000 1.009 261 V HN 0.701 nan 8.190 nan 0.000 0.428 262 K N 2.328 122.657 120.400 -0.120 0.000 2.148 262 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 262 K C 1.980 178.513 176.600 -0.111 0.000 1.050 262 K CA 0.895 57.115 56.287 -0.111 0.000 0.942 262 K CB 0.030 32.486 32.500 -0.073 0.000 0.724 262 K HN 0.414 nan 8.250 nan 0.000 0.446 263 K N 0.687 121.031 120.400 -0.094 0.000 2.113 263 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 263 K C 0.615 177.149 176.600 -0.110 0.000 1.047 263 K CA 1.035 57.293 56.287 -0.048 0.000 0.928 263 K CB -0.229 32.274 32.500 0.006 0.000 0.716 263 K HN 0.234 nan 8.250 nan 0.000 0.446 264 L N 2.206 123.236 121.223 -0.322 0.000 2.397 264 L HA 0.177 4.517 4.340 -0.000 0.000 0.263 264 L C 0.594 177.262 176.870 -0.337 0.000 1.136 264 L CA -0.598 53.947 54.840 -0.492 0.000 1.019 264 L CB 0.663 42.188 42.059 -0.890 0.000 1.352 264 L HN -0.198 nan 8.230 nan 0.000 0.420 265 V N 2.752 122.563 119.914 -0.172 0.000 3.803 265 V HA 0.077 4.197 4.120 -0.000 0.000 0.300 265 V C 0.390 176.401 176.094 -0.138 0.000 1.111 265 V CA 0.489 62.709 62.300 -0.134 0.000 1.189 265 V CB 1.163 32.943 31.823 -0.073 0.000 1.118 265 V HN 0.742 nan 8.190 nan 0.000 0.486 266 E N 1.644 121.803 120.200 -0.069 0.000 2.363 266 E HA 0.395 4.745 4.350 -0.000 0.000 0.281 266 E C -2.815 173.791 176.600 0.011 0.000 0.953 266 E CA -1.434 54.983 56.400 0.028 0.000 0.778 266 E CB 2.247 31.922 29.700 -0.041 0.000 1.220 266 E HN 0.549 nan 8.360 nan 0.000 0.431 267 P HA 0.165 nan 4.420 nan 0.000 0.275 267 P C -2.194 175.121 177.300 0.026 0.000 1.227 267 P CA -1.171 61.953 63.100 0.039 0.000 0.781 267 P CB 0.737 32.483 31.700 0.077 0.000 0.906 268 P HA -0.246 nan 4.420 nan 0.000 0.224 268 P C -1.096 176.237 177.300 0.056 0.000 1.153 268 P CA 2.821 65.948 63.100 0.046 0.000 0.947 268 P CB -1.778 30.008 31.700 0.143 0.000 0.790 269 P HA -0.090 nan 4.420 nan 0.000 0.199 269 P C 0.641 177.990 177.300 0.082 0.000 1.118 269 P CA 1.360 64.507 63.100 0.079 0.000 0.913 269 P CB -0.182 31.568 31.700 0.084 0.000 0.738 270 Q N -0.843 119.010 119.800 0.088 0.000 2.158 270 Q HA 0.408 4.747 4.340 -0.000 0.000 0.306 270 Q C 0.378 176.423 176.000 0.076 0.000 0.878 270 Q CA -0.074 55.789 55.803 0.100 0.000 1.136 270 Q CB 0.741 29.540 28.738 0.102 0.000 1.253 270 Q HN 0.369 nan 8.270 nan 0.000 0.441 271 G N 0.769 109.608 108.800 0.065 0.000 2.682 271 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.256 271 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.256 271 G C -0.395 174.563 174.900 0.096 0.000 1.333 271 G CA -0.110 45.036 45.100 0.077 0.000 0.904 271 G HN 0.503 nan 8.290 nan 0.000 0.569 272 C N -1.022 118.350 119.300 0.120 0.000 3.241 272 C HA 0.718 5.178 4.460 -0.000 0.000 0.312 272 C C 0.137 175.087 174.990 -0.066 0.000 1.350 272 C CA -0.168 58.873 59.018 0.038 0.000 1.415 272 C CB 1.558 29.274 27.740 -0.040 0.000 1.770 272 C HN 1.115 nan 8.230 nan 0.000 0.466 273 Q N 1.772 121.320 119.800 -0.418 0.000 2.313 273 Q HA 0.493 4.833 4.340 -0.000 0.000 0.266 273 Q C 0.066 175.899 176.000 -0.279 0.000 0.989 273 Q CA 0.584 56.042 55.803 -0.575 0.000 0.890 273 Q CB 1.253 29.065 28.738 -1.544 0.000 1.200 273 Q HN 1.022 nan 8.270 nan 0.000 0.396 274 G N 1.563 110.369 108.800 0.011 0.000 3.013 274 G HA2 0.558 4.517 3.960 -0.000 0.000 0.278 274 G HA3 0.558 4.517 3.960 -0.000 0.000 0.278 274 G C -1.408 173.529 174.900 0.062 0.000 1.353 274 G CA -0.435 44.718 45.100 0.088 0.000 1.043 274 G HN 0.555 nan 8.290 nan 0.000 0.523 275 S N -1.945 113.768 115.700 0.022 0.000 2.549 275 S HA 0.714 5.184 4.470 -0.000 0.000 0.280 275 S C -1.541 173.252 174.600 0.322 0.000 1.109 275 S CA -0.572 57.742 58.200 0.190 0.000 0.905 275 S CB 1.883 65.203 63.200 0.201 0.000 1.081 275 S HN 1.136 nan 8.310 nan 0.000 0.477 276 V N 5.330 125.480 119.914 0.394 0.000 3.049 276 V HA 0.836 4.955 4.120 -0.000 0.000 0.309 276 V C -1.353 174.997 176.094 0.428 0.000 1.148 276 V CA -0.685 61.878 62.300 0.439 0.000 0.990 276 V CB 1.826 33.892 31.823 0.405 0.000 1.039 276 V HN 0.970 nan 8.190 nan 0.000 0.430 277 I N 1.945 122.768 120.570 0.421 0.000 3.181 277 I HA 0.823 4.993 4.170 -0.000 0.000 0.311 277 I C -0.737 175.621 176.117 0.402 0.000 1.287 277 I CA -0.658 60.892 61.300 0.417 0.000 0.958 277 I CB 2.279 40.525 38.000 0.409 0.000 1.294 277 I HN 0.634 nan 8.210 nan 0.000 0.467 278 S N 2.026 117.942 115.700 0.360 0.000 2.578 278 S HA 0.916 5.386 4.470 -0.000 0.000 0.301 278 S C -0.783 174.050 174.600 0.388 0.000 1.091 278 S CA -0.534 57.834 58.200 0.280 0.000 1.032 278 S CB 1.709 65.014 63.200 0.174 0.000 1.064 278 S HN 0.980 nan 8.310 nan 0.000 0.508 279 F N -2.480 117.606 119.950 0.227 0.000 2.665 279 F HA 0.697 5.224 4.527 -0.000 0.000 0.308 279 F C -3.557 172.288 175.800 0.074 0.000 1.112 279 F CA -2.566 55.546 58.000 0.186 0.000 0.972 279 F CB 0.303 39.494 39.000 0.318 0.000 1.295 279 F HN 0.343 nan 8.300 nan 0.000 0.440 280 P HA -0.023 nan 4.420 nan 0.000 0.253 280 P C -0.007 177.115 177.300 -0.296 0.000 1.159 280 P CA 0.647 63.710 63.100 -0.062 0.000 0.779 280 P CB 0.435 32.150 31.700 0.025 0.000 0.745 281 S N 5.202 120.552 115.700 -0.583 0.000 2.558 281 S HA 0.043 4.512 4.470 -0.000 0.000 0.287 281 S C -1.273 172.888 174.600 -0.732 0.000 1.321 281 S CA -0.798 56.710 58.200 -1.153 0.000 1.048 281 S CB -0.116 62.582 63.200 -0.837 0.000 0.844 281 S HN 0.279 nan 8.310 nan 0.000 0.512 282 P HA 0.175 nan 4.420 nan 0.000 0.245 282 P C -0.165 176.946 177.300 -0.315 0.000 1.212 282 P CA 0.479 63.319 63.100 -0.433 0.000 0.774 282 P CB 0.237 31.691 31.700 -0.411 0.000 0.999 289 P HA 0.622 nan 4.420 nan 0.000 0.274 289 P C 0.558 177.874 177.300 0.026 0.000 1.237 289 P CA 0.042 63.195 63.100 0.088 0.000 0.793 289 P CB 1.079 32.910 31.700 0.219 0.000 0.977 290 A N 1.703 124.525 122.820 0.003 0.000 1.862 290 A HA 0.022 4.341 4.320 -0.000 0.000 0.211 290 A C 0.815 178.340 177.584 -0.098 0.000 1.220 290 A CA 1.091 53.103 52.037 -0.042 0.000 0.616 290 A CB -0.393 18.596 19.000 -0.018 0.000 0.878 290 A HN 0.655 nan 8.150 nan 0.000 0.453 291 Q N -2.558 117.205 119.800 -0.060 0.000 2.416 291 Q HA 0.555 4.895 4.340 -0.000 0.000 0.279 291 Q C -1.265 174.722 176.000 -0.021 0.000 1.101 291 Q CA -0.455 55.270 55.803 -0.131 0.000 0.830 291 Q CB 1.437 30.144 28.738 -0.052 0.000 1.402 291 Q HN 0.591 nan 8.270 nan 0.000 0.445 292 W N 0.346 121.282 121.300 -0.606 0.000 2.869 292 W HA 0.709 5.369 4.660 -0.000 0.000 0.345 292 W C -0.956 175.270 176.519 -0.488 0.000 1.191 292 W CA -0.831 56.140 57.345 -0.623 0.000 1.104 292 W CB 0.547 29.511 29.460 -0.827 0.000 1.471 292 W HN 0.412 nan 8.180 nan 0.000 0.612 293 L N 1.847 123.040 121.223 -0.050 0.000 2.362 293 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 293 L C -1.074 176.031 176.870 0.392 0.000 1.002 293 L CA -1.151 53.778 54.840 0.148 0.000 0.818 293 L CB 1.870 43.928 42.059 -0.003 0.000 1.298 293 L HN 0.082 nan 8.230 nan 0.000 0.420 294 L N 2.769 124.308 121.223 0.527 0.000 2.381 294 L HA 0.612 4.952 4.340 -0.000 0.000 0.268 294 L C -1.565 175.622 176.870 0.529 0.000 0.997 294 L CA -0.329 54.783 54.840 0.453 0.000 0.818 294 L CB 1.891 43.980 42.059 0.050 0.000 1.310 294 L HN 0.467 nan 8.230 nan 0.000 0.416 295 Y N 2.667 123.192 120.300 0.375 0.000 2.441 295 Y HA 0.657 5.207 4.550 -0.000 0.000 0.334 295 Y C -1.092 174.972 175.900 0.274 0.000 1.061 295 Y CA -0.454 57.794 58.100 0.247 0.000 1.032 295 Y CB 1.820 40.291 38.460 0.019 0.000 1.266 295 Y HN 0.754 nan 8.280 nan 0.000 0.441 296 T N 3.606 117.955 114.554 -0.342 0.000 2.885 296 T HA 0.650 5.000 4.350 -0.000 0.000 0.285 296 T C -1.321 173.086 174.700 -0.489 0.000 1.019 296 T CA -0.448 61.488 62.100 -0.272 0.000 1.010 296 T CB 1.895 70.738 68.868 -0.042 0.000 1.022 296 T HN 0.942 nan 8.240 nan 0.000 0.466 297 H N 0.995 119.839 119.070 -0.377 0.000 2.984 297 H HA 0.293 4.848 4.556 -0.000 0.000 0.298 297 H C -3.430 171.848 175.328 -0.082 0.000 1.378 297 H CA -1.093 54.788 56.048 -0.277 0.000 1.241 297 H CB 1.614 31.107 29.762 -0.447 0.000 1.894 297 H HN 0.423 nan 8.280 nan 0.000 0.511 298 P HA 0.090 nan 4.420 nan 0.000 0.271 298 P C 0.664 178.070 177.300 0.176 0.000 1.216 298 P CA 0.404 63.452 63.100 -0.087 0.000 0.776 298 P CB 0.885 32.484 31.700 -0.167 0.000 0.881 299 T N -1.337 113.294 114.554 0.128 0.000 3.037 299 T HA -0.019 4.330 4.350 -0.000 0.000 0.252 299 T C 0.887 175.641 174.700 0.089 0.000 1.073 299 T CA 0.420 62.608 62.100 0.147 0.000 1.091 299 T CB -0.592 68.308 68.868 0.054 0.000 0.935 299 T HN 0.345 nan 8.240 nan 0.000 0.488 300 H N 2.352 121.428 119.070 0.009 0.000 2.948 300 H HA 0.163 4.719 4.556 -0.000 0.000 0.351 300 H C 1.018 176.308 175.328 -0.063 0.000 1.079 300 H CA 1.109 57.152 56.048 -0.008 0.000 1.407 300 H CB 1.113 30.889 29.762 0.023 0.000 1.373 300 H HN 0.430 nan 8.280 nan 0.000 0.605 301 S N 1.978 117.618 115.700 -0.100 0.000 2.539 301 S HA 0.025 4.494 4.470 -0.000 0.000 0.221 301 S C 1.188 175.519 174.600 -0.448 0.000 0.987 301 S CA -0.583 57.411 58.200 -0.343 0.000 0.929 301 S CB 0.134 62.944 63.200 -0.650 0.000 0.832 301 S HN 0.702 nan 8.310 nan 0.000 0.492 302 W N 2.233 123.752 121.300 0.366 0.000 2.866 302 W HA 0.370 5.029 4.660 -0.000 0.000 0.258 302 W C 1.142 177.714 176.519 0.089 0.000 1.183 302 W CA -0.541 56.918 57.345 0.191 0.000 1.451 302 W CB 0.366 29.947 29.460 0.203 0.000 0.959 302 W HN 0.318 nan 8.180 nan 0.000 0.622 303 Q N -0.075 119.845 119.800 0.200 0.000 2.892 303 Q HA 0.581 4.921 4.340 -0.000 0.000 0.307 303 Q C -0.541 175.454 176.000 -0.008 0.000 1.039 303 Q CA -1.209 54.600 55.803 0.010 0.000 0.792 303 Q CB 1.049 29.699 28.738 -0.146 0.000 1.504 303 Q HN -0.135 nan 8.270 nan 0.000 0.487 304 R N 0.072 120.555 120.500 -0.027 0.000 2.287 304 R HA 0.698 5.037 4.340 -0.000 0.000 0.327 304 R C -1.100 175.159 176.300 -0.068 0.000 1.109 304 R CA 0.001 56.088 56.100 -0.022 0.000 1.013 304 R CB 0.979 31.286 30.300 0.011 0.000 1.126 304 R HN 0.602 nan 8.270 nan 0.000 0.503 305 A N 1.860 124.662 122.820 -0.030 0.000 2.602 305 A HA 0.441 4.761 4.320 -0.000 0.000 0.290 305 A C -1.322 176.277 177.584 0.026 0.000 1.114 305 A CA -0.902 51.119 52.037 -0.026 0.000 0.683 305 A CB 1.133 20.091 19.000 -0.069 0.000 1.281 305 A HN 0.661 nan 8.150 nan 0.000 0.416 306 D N -0.276 120.116 120.400 -0.014 0.000 3.357 306 D HA -0.137 4.503 4.640 -0.000 0.000 0.238 306 D C -0.384 175.857 176.300 -0.099 0.000 1.126 306 D CA 0.772 54.745 54.000 -0.045 0.000 0.984 306 D CB -0.978 39.830 40.800 0.013 0.000 0.925 306 D HN 0.671 nan 8.370 nan 0.000 0.414 307 L N 1.078 122.181 121.223 -0.199 0.000 2.513 307 L HA 0.370 4.710 4.340 -0.000 0.000 0.272 307 L C 1.059 177.800 176.870 -0.214 0.000 1.187 307 L CA 0.902 55.593 54.840 -0.249 0.000 0.895 307 L CB 0.723 42.486 42.059 -0.492 0.000 1.147 307 L HN 0.332 nan 8.230 nan 0.000 0.483 308 G N 3.653 112.376 108.800 -0.128 0.000 2.473 308 G HA2 0.756 4.716 3.960 -0.000 0.000 0.321 308 G HA3 0.756 4.716 3.960 -0.000 0.000 0.321 308 G C -1.582 173.246 174.900 -0.119 0.000 1.200 308 G CA -0.301 44.687 45.100 -0.186 0.000 0.963 308 G HN 0.966 nan 8.290 nan 0.000 0.483 309 A N 0.621 123.333 122.820 -0.181 0.000 2.291 309 A HA 0.727 5.047 4.320 -0.000 0.000 0.311 309 A C -1.480 176.257 177.584 0.255 0.000 1.224 309 A CA -0.562 51.521 52.037 0.077 0.000 0.821 309 A CB 0.551 19.549 19.000 -0.004 0.000 1.172 309 A HN 0.559 nan 8.150 nan 0.000 0.494 310 Y N 2.146 122.693 120.300 0.412 0.000 2.377 310 Y HA 0.579 5.129 4.550 -0.000 0.000 0.339 310 Y C 0.048 176.277 175.900 0.548 0.000 1.011 310 Y CA -1.191 57.221 58.100 0.521 0.000 1.093 310 Y CB 1.717 40.444 38.460 0.445 0.000 1.201 310 Y HN 0.549 nan 8.280 nan 0.000 0.455 311 L N 4.311 125.738 121.223 0.340 0.000 2.346 311 L HA 0.527 4.867 4.340 -0.000 0.000 0.276 311 L C -1.262 175.467 176.870 -0.235 0.000 1.006 311 L CA -0.403 54.371 54.840 -0.109 0.000 0.817 311 L CB 1.707 43.127 42.059 -1.065 0.000 1.272 311 L HN 0.760 nan 8.230 nan 0.000 0.421 312 N N 6.789 125.190 118.700 -0.498 0.000 2.569 312 N HA 0.381 5.121 4.740 -0.000 0.000 0.254 312 N C -2.163 172.834 175.510 -0.855 0.000 1.004 312 N CA -1.607 50.914 53.050 -0.882 0.000 0.904 312 N CB 2.106 39.628 38.487 -1.609 0.000 1.165 312 N HN 0.397 nan 8.380 nan 0.000 0.513 313 P HA 0.054 nan 4.420 nan 0.000 0.231 313 P C -0.179 176.560 177.300 -0.935 0.000 1.168 313 P CA 0.558 62.549 63.100 -1.847 0.000 0.779 313 P CB 0.644 31.308 31.700 -1.727 0.000 0.844 314 R N 0.690 120.838 120.500 -0.586 0.000 2.881 314 R HA 0.316 4.656 4.340 -0.000 0.000 0.331 314 R C -2.287 173.830 176.300 -0.305 0.000 1.207 314 R CA -1.681 54.222 56.100 -0.327 0.000 1.265 314 R CB 0.374 30.520 30.300 -0.256 0.000 1.351 314 R HN 0.258 nan 8.270 nan 0.000 0.613 315 P HA 0.045 nan 4.420 nan 0.000 0.269 315 P C -2.212 174.997 177.300 -0.151 0.000 1.209 315 P CA -0.712 62.218 63.100 -0.284 0.000 0.776 315 P CB 0.677 32.229 31.700 -0.246 0.000 0.876 316 P HA 0.257 nan 4.420 nan 0.000 0.228 316 P C -0.367 176.860 177.300 -0.122 0.000 1.873 316 P CA -0.442 62.584 63.100 -0.125 0.000 1.033 316 P CB -0.103 31.584 31.700 -0.022 0.000 1.707 317 A N 2.287 124.995 122.820 -0.185 0.000 2.438 317 A HA 0.324 4.643 4.320 -0.000 0.000 0.280 317 A C -1.253 176.255 177.584 -0.126 0.000 1.160 317 A CA -1.052 50.904 52.037 -0.135 0.000 0.821 317 A CB -0.118 18.795 19.000 -0.145 0.000 1.101 317 A HN 0.105 nan 8.150 nan 0.000 0.515 318 P HA -0.251 nan 4.420 nan 0.000 0.217 318 P C 1.386 178.777 177.300 0.151 0.000 1.151 318 P CA 1.744 64.942 63.100 0.163 0.000 0.849 318 P CB 0.219 31.970 31.700 0.086 0.000 0.787 319 E N -0.284 119.932 120.200 0.027 0.000 2.204 319 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 319 E C 1.849 178.431 176.600 -0.029 0.000 0.989 319 E CA 1.377 57.783 56.400 0.010 0.000 0.824 319 E CB -1.130 28.559 29.700 -0.018 0.000 0.756 319 E HN 0.170 nan 8.360 nan 0.000 0.477 320 A N 1.327 124.067 122.820 -0.133 0.000 2.015 320 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 320 A C 0.654 178.101 177.584 -0.229 0.000 1.163 320 A CA 0.063 51.959 52.037 -0.235 0.000 0.646 320 A CB -0.958 17.820 19.000 -0.370 0.000 0.806 320 A HN 0.295 nan 8.150 nan 0.000 0.448 321 W N 1.596 122.831 121.300 -0.108 0.000 2.377 321 W HA 0.196 4.856 4.660 -0.000 0.000 0.341 321 W C 1.252 177.760 176.519 -0.018 0.000 1.240 321 W CA 0.600 57.901 57.345 -0.072 0.000 1.311 321 W CB 0.452 29.863 29.460 -0.082 0.000 1.175 321 W HN 0.367 nan 8.180 nan 0.000 0.571 322 S N 1.741 117.645 115.700 0.338 0.000 2.713 322 S HA 0.395 4.865 4.470 -0.000 0.000 0.277 322 S C -0.238 174.555 174.600 0.321 0.000 1.168 322 S CA -1.037 57.299 58.200 0.227 0.000 0.994 322 S CB 1.213 64.480 63.200 0.111 0.000 1.054 322 S HN 0.400 nan 8.310 nan 0.000 0.555 323 E N 2.398 122.722 120.200 0.207 0.000 2.283 323 E HA 0.421 4.771 4.350 -0.000 0.000 0.278 323 E C -2.123 174.485 176.600 0.014 0.000 1.027 323 E CA -2.280 54.195 56.400 0.124 0.000 0.843 323 E CB 0.584 30.328 29.700 0.073 0.000 1.062 323 E HN 0.527 nan 8.360 nan 0.000 0.401 324 P HA -0.013 nan 4.420 nan 0.000 0.269 324 P C -0.357 176.767 177.300 -0.294 0.000 1.217 324 P CA -0.177 62.559 63.100 -0.607 0.000 0.783 324 P CB 0.821 31.906 31.700 -1.026 0.000 0.898 325 V N 3.727 123.446 119.914 -0.325 0.000 2.487 325 V HA 0.245 4.365 4.120 -0.000 0.000 0.298 325 V C -0.076 175.827 176.094 -0.319 0.000 1.028 325 V CA -1.220 60.882 62.300 -0.331 0.000 0.860 325 V CB 1.198 32.712 31.823 -0.515 0.000 0.991 325 V HN 0.396 nan 8.190 nan 0.000 0.427 326 L N 7.067 128.138 121.223 -0.253 0.000 2.654 326 L HA 0.082 4.421 4.340 -0.000 0.000 0.271 326 L C 0.913 177.623 176.870 -0.267 0.000 1.169 326 L CA 0.435 55.140 54.840 -0.225 0.000 0.947 326 L CB 0.671 42.633 42.059 -0.162 0.000 1.232 326 L HN 0.776 nan 8.230 nan 0.000 0.486 327 L N 4.433 125.477 121.223 -0.299 0.000 2.189 327 L HA 0.238 4.578 4.340 -0.000 0.000 0.199 327 L C 0.776 177.489 176.870 -0.262 0.000 1.074 327 L CA 0.420 55.054 54.840 -0.342 0.000 0.783 327 L CB -0.013 41.808 42.059 -0.396 0.000 0.955 327 L HN 0.677 nan 8.230 nan 0.000 0.460 328 A N 0.074 122.725 122.820 -0.282 0.000 2.381 328 A HA 0.501 4.821 4.320 -0.000 0.000 0.299 328 A C -0.919 176.579 177.584 -0.144 0.000 1.049 328 A CA -0.593 51.322 52.037 -0.204 0.000 0.715 328 A CB 1.057 19.863 19.000 -0.324 0.000 1.222 328 A HN 0.006 nan 8.150 nan 0.000 0.428 329 K N 1.134 121.491 120.400 -0.072 0.000 2.185 329 K HA 0.597 4.917 4.320 -0.000 0.000 0.271 329 K C 0.763 177.351 176.600 -0.021 0.000 1.013 329 K CA 1.071 57.332 56.287 -0.042 0.000 0.943 329 K CB 1.059 33.543 32.500 -0.026 0.000 0.998 329 K HN 1.740 nan 8.250 nan 0.000 0.468 330 G N 0.806 109.598 108.800 -0.012 0.000 2.698 330 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.225 330 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.225 330 G C -0.426 174.453 174.900 -0.034 0.000 1.345 330 G CA -0.498 44.594 45.100 -0.014 0.000 0.871 330 G HN 0.543 nan 8.290 nan 0.000 0.540 331 S N -0.801 114.869 115.700 -0.050 0.000 2.887 331 S HA 0.315 4.785 4.470 -0.000 0.000 0.337 331 S C 0.415 174.979 174.600 -0.061 0.000 1.209 331 S CA 0.715 58.862 58.200 -0.089 0.000 1.186 331 S CB -1.489 61.635 63.200 -0.126 0.000 0.925 331 S HN 1.301 nan 8.310 nan 0.000 0.522 332 C N 4.563 123.822 119.300 -0.068 0.000 2.547 332 C HA 0.880 5.340 4.460 -0.000 0.000 0.313 332 C C 0.872 175.849 174.990 -0.021 0.000 1.191 332 C CA -0.312 58.694 59.018 -0.020 0.000 1.474 332 C CB 0.900 28.573 27.740 -0.110 0.000 2.081 332 C HN 1.067 nan 8.230 nan 0.000 0.476 333 A N 1.590 124.458 122.820 0.080 0.000 3.426 333 A HA 0.763 5.083 4.320 -0.000 0.000 0.185 333 A C -0.964 176.777 177.584 0.263 0.000 1.057 333 A CA -0.121 52.022 52.037 0.177 0.000 1.261 333 A CB -0.470 18.725 19.000 0.325 0.000 1.676 333 A HN 0.665 nan 8.150 nan 0.000 0.658 334 Y N 1.503 121.885 120.300 0.136 0.000 2.702 334 Y HA 0.352 4.902 4.550 -0.000 0.000 0.336 334 Y C 1.210 177.203 175.900 0.155 0.000 1.235 334 Y CA 0.562 58.733 58.100 0.118 0.000 1.492 334 Y CB 0.377 38.921 38.460 0.140 0.000 1.308 334 Y HN 0.663 nan 8.280 nan 0.000 0.589 335 S N 1.088 116.937 115.700 0.248 0.000 2.618 335 S HA 0.688 5.158 4.470 -0.000 0.000 0.277 335 S C -1.754 172.985 174.600 0.232 0.000 1.138 335 S CA -0.976 57.376 58.200 0.252 0.000 0.844 335 S CB 2.935 66.245 63.200 0.184 0.000 1.127 335 S HN 0.485 nan 8.310 nan 0.000 0.474 336 D N 0.126 120.681 120.400 0.258 0.000 2.990 336 D HA 0.558 5.198 4.640 -0.000 0.000 0.227 336 D C -1.217 175.211 176.300 0.214 0.000 1.249 336 D CA -0.333 53.827 54.000 0.267 0.000 0.891 336 D CB 1.610 42.598 40.800 0.314 0.000 1.647 336 D HN 0.641 nan 8.370 nan 0.000 0.530 337 L N 2.051 123.362 121.223 0.147 0.000 2.332 337 L HA 0.631 4.971 4.340 -0.000 0.000 0.269 337 L C -0.144 176.689 176.870 -0.063 0.000 1.016 337 L CA -0.742 54.150 54.840 0.087 0.000 0.809 337 L CB 1.598 43.736 42.059 0.131 0.000 1.280 337 L HN 0.244 nan 8.230 nan 0.000 0.447 338 Q N 0.572 120.399 119.800 0.046 0.000 2.391 338 Q HA 0.303 4.643 4.340 -0.000 0.000 0.279 338 Q C -1.382 174.674 176.000 0.094 0.000 1.028 338 Q CA -0.452 55.385 55.803 0.056 0.000 0.836 338 Q CB 2.440 31.255 28.738 0.129 0.000 1.414 338 Q HN 0.511 nan 8.270 nan 0.000 0.397 339 S N 2.105 117.861 115.700 0.094 0.000 2.420 339 S HA 0.403 4.873 4.470 -0.000 0.000 0.313 339 S C 0.585 175.030 174.600 -0.257 0.000 1.079 339 S CA -0.254 57.954 58.200 0.012 0.000 1.104 339 S CB 0.189 63.486 63.200 0.161 0.000 0.969 339 S HN 0.604 nan 8.310 nan 0.000 0.471 340 M N 4.324 123.606 119.600 -0.530 0.000 2.495 340 M HA 0.275 4.755 4.480 -0.000 0.000 0.237 340 M C 1.260 177.150 176.300 -0.683 0.000 1.131 340 M CA 0.460 55.167 55.300 -0.988 0.000 1.032 340 M CB -0.139 31.893 32.600 -0.945 0.000 1.513 340 M HN 0.928 nan 8.290 nan 0.000 0.488 341 G N 0.220 108.769 108.800 -0.419 0.000 2.594 341 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 341 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 341 G C -0.520 174.202 174.900 -0.297 0.000 1.163 341 G CA -0.677 44.264 45.100 -0.266 0.000 1.074 341 G HN 0.180 nan 8.290 nan 0.000 0.589 342 T N 1.767 116.183 114.554 -0.230 0.000 2.756 342 T HA 0.635 4.985 4.350 -0.000 0.000 0.290 342 T C 0.839 175.418 174.700 -0.201 0.000 0.985 342 T CA 0.584 62.567 62.100 -0.196 0.000 0.955 342 T CB 1.109 69.912 68.868 -0.109 0.000 0.930 342 T HN 1.330 nan 8.240 nan 0.000 0.451 343 G N 3.280 111.953 108.800 -0.212 0.000 2.616 343 G HA2 0.352 4.312 3.960 -0.000 0.000 0.268 343 G HA3 0.352 4.312 3.960 -0.000 0.000 0.268 343 G C -1.461 173.386 174.900 -0.089 0.000 1.213 343 G CA -1.522 43.489 45.100 -0.148 0.000 0.926 343 G HN 0.379 nan 8.290 nan 0.000 0.523 344 P HA -0.101 nan 4.420 nan 0.000 0.218 344 P C 0.658 177.888 177.300 -0.117 0.000 1.146 344 P CA 1.586 64.605 63.100 -0.135 0.000 0.820 344 P CB 0.126 31.613 31.700 -0.354 0.000 0.778 345 D N -2.461 117.876 120.400 -0.106 0.000 2.491 345 D HA 0.231 4.871 4.640 -0.000 0.000 0.228 345 D C 1.024 177.291 176.300 -0.054 0.000 1.183 345 D CA -0.312 53.638 54.000 -0.083 0.000 0.827 345 D CB -1.166 39.575 40.800 -0.098 0.000 0.989 345 D HN 0.082 nan 8.370 nan 0.000 0.494 346 G N -0.339 108.432 108.800 -0.048 0.000 2.305 346 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.287 346 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.287 346 G C 0.144 175.045 174.900 0.002 0.000 1.036 346 G CA 0.629 45.718 45.100 -0.019 0.000 0.887 346 G HN 0.701 nan 8.290 nan 0.000 0.505 347 S N -0.613 115.057 115.700 -0.049 0.000 2.599 347 S HA 0.807 5.277 4.470 -0.000 0.000 0.294 347 S C -2.805 171.693 174.600 -0.170 0.000 1.094 347 S CA -1.514 56.663 58.200 -0.038 0.000 0.931 347 S CB 2.097 65.245 63.200 -0.087 0.000 1.093 347 S HN 0.008 nan 8.310 nan 0.000 0.488 348 P HA 0.182 nan 4.420 nan 0.000 0.267 348 P C -1.156 175.549 177.300 -0.992 0.000 1.205 348 P CA -0.246 62.498 63.100 -0.593 0.000 0.765 348 P CB 0.272 31.550 31.700 -0.703 0.000 0.828 349 L N 5.634 126.315 121.223 -0.903 0.000 2.307 349 L HA 0.561 4.901 4.340 -0.000 0.000 0.282 349 L C -1.210 175.030 176.870 -1.050 0.000 1.051 349 L CA -0.032 54.319 54.840 -0.815 0.000 0.804 349 L CB -0.179 41.561 42.059 -0.532 0.000 1.197 349 L HN 0.151 nan 8.230 nan 0.000 0.431 350 F N 2.829 122.463 119.950 -0.526 0.000 2.540 350 F HA 0.733 5.260 4.527 -0.000 0.000 0.317 350 F C 0.666 176.108 175.800 -0.597 0.000 1.104 350 F CA -0.753 56.877 58.000 -0.617 0.000 0.913 350 F CB 2.078 40.534 39.000 -0.908 0.000 1.170 350 F HN 0.568 nan 8.300 nan 0.000 0.450 351 G N 0.669 109.393 108.800 -0.128 0.000 2.461 351 G HA2 0.533 4.493 3.960 -0.000 0.000 0.323 351 G HA3 0.533 4.493 3.960 -0.000 0.000 0.323 351 G C -1.849 173.058 174.900 0.012 0.000 1.229 351 G CA -0.709 44.353 45.100 -0.062 0.000 0.941 351 G HN 0.871 nan 8.290 nan 0.000 0.477 352 C N 3.340 122.589 119.300 -0.085 0.000 2.547 352 C HA 0.776 5.236 4.460 -0.000 0.000 0.313 352 C C -1.027 174.094 174.990 0.218 0.000 1.191 352 C CA -0.774 58.333 59.018 0.148 0.000 1.474 352 C CB 0.816 28.723 27.740 0.278 0.000 2.081 352 C HN 0.648 nan 8.230 nan 0.000 0.476 353 L N 6.745 128.154 121.223 0.310 0.000 2.325 353 L HA 0.743 5.083 4.340 -0.000 0.000 0.281 353 L C -0.726 176.324 176.870 0.300 0.000 1.004 353 L CA -0.040 54.970 54.840 0.284 0.000 0.823 353 L CB 1.185 43.427 42.059 0.306 0.000 1.236 353 L HN 0.779 nan 8.230 nan 0.000 0.415 354 Y N 0.993 121.387 120.300 0.156 0.000 2.544 354 Y HA 0.640 5.190 4.550 -0.000 0.000 0.342 354 Y C -0.772 175.203 175.900 0.125 0.000 1.062 354 Y CA -1.238 56.942 58.100 0.134 0.000 1.023 354 Y CB 0.948 39.459 38.460 0.085 0.000 1.308 354 Y HN 0.592 nan 8.280 nan 0.000 0.457 355 E N 2.312 122.678 120.200 0.277 0.000 2.316 355 E HA 0.577 4.927 4.350 -0.000 0.000 0.275 355 E C -0.671 176.038 176.600 0.182 0.000 1.029 355 E CA -0.200 56.313 56.400 0.189 0.000 0.871 355 E CB 1.113 30.974 29.700 0.268 0.000 1.022 355 E HN 0.805 nan 8.360 nan 0.000 0.418 356 A N 3.345 126.203 122.820 0.064 0.000 2.532 356 A HA 0.480 4.800 4.320 -0.000 0.000 0.290 356 A C -0.863 176.704 177.584 -0.029 0.000 1.143 356 A CA -1.010 51.063 52.037 0.059 0.000 0.728 356 A CB 0.926 20.000 19.000 0.123 0.000 1.317 356 A HN 0.690 nan 8.150 nan 0.000 0.414 357 N N 1.153 119.829 118.700 -0.040 0.000 2.607 357 N HA -0.182 4.558 4.740 -0.000 0.000 0.285 357 N C -0.161 175.297 175.510 -0.087 0.000 1.151 357 N CA 1.732 54.751 53.050 -0.051 0.000 0.749 357 N CB -0.663 37.819 38.487 -0.008 0.000 0.923 357 N HN 0.978 nan 8.380 nan 0.000 0.552 358 D N -0.113 120.171 120.400 -0.193 0.000 2.811 358 D HA -0.280 4.360 4.640 -0.000 0.000 0.231 358 D C -0.614 175.631 176.300 -0.091 0.000 1.157 358 D CA 1.548 55.428 54.000 -0.200 0.000 0.716 358 D CB -1.307 39.476 40.800 -0.029 0.000 1.077 358 D HN 0.660 nan 8.370 nan 0.000 0.428 359 Y N -2.577 117.742 120.300 0.032 0.000 3.790 359 Y HA -0.251 4.299 4.550 -0.000 0.000 0.226 359 Y C 1.234 177.157 175.900 0.039 0.000 1.257 359 Y CA 1.028 59.143 58.100 0.026 0.000 1.765 359 Y CB -2.232 36.227 38.460 -0.001 0.000 1.552 359 Y HN 0.415 nan 8.280 nan 0.000 0.650 360 E N 0.649 120.917 120.200 0.113 0.000 2.548 360 E HA 0.197 4.547 4.350 -0.000 0.000 0.206 360 E C 0.419 177.079 176.600 0.099 0.000 1.005 360 E CA 0.503 56.968 56.400 0.109 0.000 0.951 360 E CB 0.560 30.302 29.700 0.070 0.000 1.035 360 E HN 0.673 nan 8.360 nan 0.000 0.470 361 E N -0.253 120.003 120.200 0.094 0.000 2.419 361 E HA 0.235 4.585 4.350 -0.000 0.000 0.285 361 E C -1.367 175.256 176.600 0.039 0.000 1.079 361 E CA -0.626 55.814 56.400 0.067 0.000 0.864 361 E CB 0.605 30.314 29.700 0.016 0.000 1.216 361 E HN -0.079 nan 8.360 nan 0.000 0.428 362 I N 2.281 122.877 120.570 0.043 0.000 2.406 362 I HA 0.407 4.576 4.170 -0.000 0.000 0.290 362 I C -0.500 175.531 176.117 -0.144 0.000 0.999 362 I CA -1.149 60.150 61.300 -0.002 0.000 1.124 362 I CB 1.808 39.912 38.000 0.173 0.000 1.289 362 I HN 0.377 nan 8.210 nan 0.000 0.441 363 V N 5.975 125.648 119.914 -0.403 0.000 2.850 363 V HA 0.406 4.526 4.120 -0.000 0.000 0.315 363 V C -0.708 175.233 176.094 -0.255 0.000 1.064 363 V CA -0.772 61.261 62.300 -0.445 0.000 0.979 363 V CB 2.117 33.458 31.823 -0.804 0.000 1.039 363 V HN 0.459 nan 8.190 nan 0.000 0.452 364 F N 3.407 123.236 119.950 -0.202 0.000 2.467 364 F HA 0.783 5.310 4.527 -0.000 0.000 0.336 364 F C -1.107 174.783 175.800 0.149 0.000 1.123 364 F CA -0.771 57.222 58.000 -0.011 0.000 0.964 364 F CB 1.341 40.333 39.000 -0.013 0.000 1.136 364 F HN 0.249 nan 8.300 nan 0.000 0.447 365 L N 6.596 127.520 121.223 -0.499 0.000 2.362 365 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 365 L C -0.874 175.684 176.870 -0.521 0.000 1.002 365 L CA -0.628 54.070 54.840 -0.237 0.000 0.818 365 L CB 1.958 44.131 42.059 0.189 0.000 1.298 365 L HN 0.795 nan 8.230 nan 0.000 0.420 366 M N 4.652 124.159 119.600 -0.155 0.000 2.263 366 M HA 0.720 5.200 4.480 -0.000 0.000 0.295 366 M C -1.789 174.630 176.300 0.199 0.000 1.028 366 M CA -0.348 54.902 55.300 -0.084 0.000 0.921 366 M CB 1.406 34.044 32.600 0.063 0.000 1.601 366 M HN 0.468 nan 8.290 nan 0.000 0.440 367 F N 0.499 120.473 119.950 0.040 0.000 2.741 367 F HA 0.879 5.405 4.527 -0.000 0.000 0.313 367 F C -0.827 175.025 175.800 0.086 0.000 1.153 367 F CA -0.757 57.280 58.000 0.062 0.000 0.931 367 F CB 0.906 39.936 39.000 0.050 0.000 1.335 367 F HN 0.576 nan 8.300 nan 0.000 0.460 368 T N -0.814 113.889 114.554 0.249 0.000 2.948 368 T HA 0.430 4.779 4.350 -0.000 0.000 0.285 368 T C 0.338 175.232 174.700 0.324 0.000 1.019 368 T CA -0.539 61.612 62.100 0.084 0.000 1.013 368 T CB 1.698 70.548 68.868 -0.030 0.000 1.117 368 T HN 0.935 nan 8.240 nan 0.000 0.533 369 L N 0.792 122.177 121.223 0.269 0.000 2.093 369 L HA 0.230 4.570 4.340 -0.000 0.000 0.208 369 L C 2.598 179.635 176.870 0.278 0.000 1.085 369 L CA 1.801 56.937 54.840 0.494 0.000 0.755 369 L CB -0.928 41.445 42.059 0.524 0.000 0.904 369 L HN 0.890 nan 8.230 nan 0.000 0.435 370 K N -1.092 119.284 120.400 -0.039 0.000 2.097 370 K HA -0.201 4.118 4.320 -0.000 0.000 0.206 370 K C 2.050 178.595 176.600 -0.092 0.000 1.049 370 K CA 1.659 57.753 56.287 -0.321 0.000 0.933 370 K CB -0.007 32.208 32.500 -0.474 0.000 0.717 370 K HN 0.525 nan 8.250 nan 0.000 0.442 371 Q N -0.546 119.257 119.800 0.005 0.000 2.049 371 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 371 Q C 2.144 178.120 176.000 -0.041 0.000 0.971 371 Q CA 1.380 57.187 55.803 0.007 0.000 0.833 371 Q CB -0.078 28.701 28.738 0.068 0.000 0.896 371 Q HN 0.359 nan 8.270 nan 0.000 0.434 372 A N 0.294 123.116 122.820 0.004 0.000 1.897 372 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 372 A C 0.586 177.837 177.584 -0.556 0.000 1.181 372 A CA 0.963 52.819 52.037 -0.303 0.000 0.620 372 A CB 0.006 18.892 19.000 -0.191 0.000 0.821 372 A HN 0.303 nan 8.150 nan 0.000 0.443 373 F N -0.364 119.680 119.950 0.156 0.000 2.523 373 F HA 0.307 4.834 4.527 -0.000 0.000 0.322 373 F C -1.660 174.265 175.800 0.209 0.000 1.361 373 F CA -1.943 56.167 58.000 0.183 0.000 1.151 373 F CB 1.306 40.464 39.000 0.264 0.000 1.391 373 F HN 0.105 nan 8.300 nan 0.000 0.566 374 P HA -0.234 nan 4.420 nan 0.000 0.219 374 P C 1.535 179.001 177.300 0.276 0.000 1.146 374 P CA 1.472 64.672 63.100 0.166 0.000 0.808 374 P CB 0.349 32.086 31.700 0.062 0.000 0.779 375 A N 0.576 123.555 122.820 0.266 0.000 1.978 375 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 375 A C 2.135 179.881 177.584 0.270 0.000 1.170 375 A CA 1.706 53.880 52.037 0.229 0.000 0.636 375 A CB -1.302 17.812 19.000 0.190 0.000 0.810 375 A HN 0.104 nan 8.150 nan 0.000 0.448 376 E N -1.669 118.761 120.200 0.384 0.000 2.515 376 E HA 0.025 4.375 4.350 -0.000 0.000 0.201 376 E C -0.483 176.236 176.600 0.199 0.000 1.071 376 E CA 0.400 56.996 56.400 0.326 0.000 0.880 376 E CB -0.180 29.793 29.700 0.455 0.000 0.828 376 E HN 0.709 nan 8.360 nan 0.000 0.540 377 Y N 0.000 120.397 120.300 0.161 0.000 2.660 377 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 377 Y CA 0.000 58.173 58.100 0.121 0.000 1.940 377 Y CB 0.000 38.529 38.460 0.114 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758