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 2jei_1_A DATA FIRST_RESID -1 DATA SEQUENCE HHMIVLFVDF DYFYAQVEEV LNPSLKGKPV VVCVFSGRFE DSGAVATANY DATA SEQUENCE EARKFGVKAG IPIVEAKKIL PNAVYLPMRK EVYQQVSSRI MNLLREYSEK DATA SEQUENCE IEIASIDEAY LDISDKVRDY REAYNLGLEI KNKILEKEKI TVTVGISKNK DATA SEQUENCE VFAKIAADMA KPNGIKVIDD EEVKRLIREL DIADVPGIGN ITAEKLKKLG DATA SEQUENCE INKLVDTLSI EFDKLKGMIG EAKAKYLISL ARDEYNEPIR TRVRKSIGRI DATA SEQUENCE VTMKRNSRNL EEIKPYLFRA IEESYYKLDK RIPKAIHVVA VTEDLDIVSR DATA SEQUENCE GRTFPHGISK ETAYSESVKL LQKILEEDER KIRRIGVRFS KFIE 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 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.377 175.328 0.082 0.000 0.993 -1 H CA 0.000 56.018 56.048 -0.050 0.000 1.023 -1 H CB 0.000 29.688 29.762 -0.123 0.000 1.292 0 H N -1.106 118.038 119.070 0.123 0.000 2.883 0 H HA 0.494 5.051 4.556 0.002 0.000 0.277 0 H C -0.911 174.458 175.328 0.069 0.000 1.451 0 H CA -1.097 54.996 56.048 0.075 0.000 1.157 0 H CB 0.344 30.153 29.762 0.078 0.000 1.851 0 H HN 0.078 nan 8.280 nan 0.000 0.566 1 M N 0.888 120.827 119.600 0.565 0.000 2.240 1 M HA 0.296 4.777 4.480 0.002 0.000 0.333 1 M C -0.845 175.682 176.300 0.377 0.000 1.110 1 M CA -0.270 55.231 55.300 0.335 0.000 1.173 1 M CB 0.355 33.065 32.600 0.184 0.000 1.458 1 M HN 0.469 nan 8.290 nan 0.000 0.458 2 I N 4.128 124.848 120.570 0.250 0.000 2.466 2 I HA 0.294 4.465 4.170 0.002 0.000 0.279 2 I C -0.764 175.518 176.117 0.276 0.000 1.033 2 I CA -0.457 61.012 61.300 0.282 0.000 1.123 2 I CB 1.054 39.141 38.000 0.144 0.000 1.237 2 I HN 0.300 nan 8.210 nan 0.000 0.460 3 V N 7.058 127.167 119.914 0.325 0.000 2.472 3 V HA 0.479 4.600 4.120 0.002 0.000 0.290 3 V C -0.102 176.172 176.094 0.299 0.000 1.037 3 V CA -0.724 61.755 62.300 0.298 0.000 0.908 3 V CB 2.710 34.722 31.823 0.315 0.000 0.985 3 V HN 0.526 nan 8.190 nan 0.000 0.454 4 L N 5.377 126.760 121.223 0.266 0.000 2.342 4 L HA 0.613 4.954 4.340 0.002 0.000 0.276 4 L C -1.154 175.836 176.870 0.199 0.000 0.997 4 L CA -0.406 54.558 54.840 0.206 0.000 0.838 4 L CB 1.094 43.235 42.059 0.137 0.000 1.224 4 L HN 0.620 nan 8.230 nan 0.000 0.416 5 F N 5.767 125.714 119.950 -0.005 0.000 2.404 5 F HA 0.683 5.211 4.527 0.003 0.000 0.339 5 F C -0.923 174.763 175.800 -0.189 0.000 1.105 5 F CA -0.470 57.414 58.000 -0.193 0.000 1.087 5 F CB 1.517 40.352 39.000 -0.275 0.000 1.143 5 F HN 0.119 nan 8.300 nan 0.000 0.491 6 V N 5.178 124.449 119.914 -1.072 0.000 2.487 6 V HA 0.340 4.460 4.120 0.002 0.000 0.298 6 V C -1.279 174.083 176.094 -1.221 0.000 1.028 6 V CA -0.686 61.112 62.300 -0.836 0.000 0.860 6 V CB 1.568 33.149 31.823 -0.404 0.000 0.991 6 V HN 0.683 nan 8.190 nan 0.000 0.427 7 D N 3.857 123.771 120.400 -0.811 0.000 2.620 7 D HA 0.460 5.101 4.640 0.002 0.000 0.252 7 D C -0.735 175.402 176.300 -0.271 0.000 1.207 7 D CA -0.433 53.164 54.000 -0.672 0.000 0.884 7 D CB 1.157 41.742 40.800 -0.358 0.000 1.262 7 D HN 0.145 nan 8.370 nan 0.000 0.552 8 F N 1.616 121.385 119.950 -0.301 0.000 2.484 8 F HA 0.202 4.730 4.527 0.002 0.000 0.360 8 F C 1.234 176.986 175.800 -0.081 0.000 1.101 8 F CA -0.678 57.200 58.000 -0.204 0.000 1.251 8 F CB 0.129 38.948 39.000 -0.302 0.000 1.132 8 F HN 0.144 nan 8.300 nan 0.000 0.570 9 D N 2.548 123.020 120.400 0.119 0.000 2.389 9 D HA 0.012 4.653 4.640 0.002 0.000 0.247 9 D C 0.515 176.761 176.300 -0.089 0.000 1.128 9 D CA 0.014 54.072 54.000 0.096 0.000 0.884 9 D CB 0.102 40.966 40.800 0.108 0.000 1.194 9 D HN 0.654 nan 8.370 nan 0.000 0.441 10 Y N 0.180 120.626 120.300 0.242 0.000 2.909 10 Y HA -0.374 4.176 4.550 0.001 0.000 0.221 10 Y C 0.925 176.914 175.900 0.149 0.000 1.093 10 Y CA -0.354 57.826 58.100 0.132 0.000 1.007 10 Y CB -2.434 36.088 38.460 0.104 0.000 1.142 10 Y HN 0.291 nan 8.280 nan 0.000 0.545 11 F N 1.047 120.952 119.950 -0.075 0.000 2.077 11 F HA -0.417 4.111 4.527 0.002 0.000 0.292 11 F C 2.244 178.029 175.800 -0.024 0.000 1.120 11 F CA 2.453 60.432 58.000 -0.034 0.000 1.246 11 F CB -0.982 38.087 39.000 0.115 0.000 0.941 11 F HN 0.349 nan 8.300 nan 0.000 0.514 12 Y N 0.023 120.048 120.300 -0.459 0.000 2.114 12 Y HA -0.191 4.360 4.550 0.002 0.000 0.282 12 Y C 2.644 178.145 175.900 -0.666 0.000 1.165 12 Y CA 1.047 58.548 58.100 -0.997 0.000 1.148 12 Y CB -1.763 36.248 38.460 -0.748 0.000 0.972 12 Y HN 0.205 nan 8.280 nan 0.000 0.504 13 A N -0.511 122.266 122.820 -0.072 0.000 1.930 13 A HA -0.215 4.106 4.320 0.002 0.000 0.217 13 A C 2.276 179.911 177.584 0.085 0.000 1.175 13 A CA 1.509 53.579 52.037 0.055 0.000 0.627 13 A CB -0.765 18.351 19.000 0.192 0.000 0.815 13 A HN 0.520 nan 8.150 nan 0.000 0.443 14 Q N -0.235 119.562 119.800 -0.005 0.000 2.124 14 Q HA -0.122 4.219 4.340 0.002 0.000 0.202 14 Q C 1.906 177.827 176.000 -0.133 0.000 0.977 14 Q CA 1.718 57.448 55.803 -0.121 0.000 0.850 14 Q CB -0.171 28.217 28.738 -0.584 0.000 0.901 14 Q HN 0.431 nan 8.270 nan 0.000 0.429 15 V N 1.269 121.021 119.914 -0.269 0.000 2.343 15 V HA -0.219 3.902 4.120 0.002 0.000 0.247 15 V C 2.149 178.208 176.094 -0.059 0.000 1.051 15 V CA 1.750 63.923 62.300 -0.211 0.000 1.036 15 V CB -0.455 31.171 31.823 -0.330 0.000 0.654 15 V HN 0.352 nan 8.190 nan 0.000 0.451 16 E N 0.041 120.221 120.200 -0.032 0.000 2.153 16 E HA -0.216 4.135 4.350 0.002 0.000 0.194 16 E C 2.183 178.802 176.600 0.031 0.000 0.988 16 E CA 1.154 57.578 56.400 0.039 0.000 0.811 16 E CB -0.129 29.604 29.700 0.055 0.000 0.746 16 E HN 0.708 nan 8.360 nan 0.000 0.466 17 E N 0.200 120.421 120.200 0.034 0.000 2.028 17 E HA -0.105 4.246 4.350 0.002 0.000 0.191 17 E C 2.271 178.886 176.600 0.025 0.000 0.988 17 E CA 0.982 57.410 56.400 0.047 0.000 0.799 17 E CB 0.011 29.766 29.700 0.092 0.000 0.755 17 E HN -0.002 nan 8.360 nan 0.000 0.447 18 V N 1.357 121.275 119.914 0.005 0.000 2.282 18 V HA -0.275 3.846 4.120 0.002 0.000 0.249 18 V C 2.219 178.313 176.094 0.001 0.000 1.057 18 V CA 1.526 63.823 62.300 -0.005 0.000 1.032 18 V CB -0.388 31.418 31.823 -0.028 0.000 0.645 18 V HN 0.228 nan 8.190 nan 0.000 0.447 19 L N -0.223 121.002 121.223 0.004 0.000 2.362 19 L HA 0.033 4.374 4.340 0.002 0.000 0.219 19 L C 1.192 178.070 176.870 0.013 0.000 1.134 19 L CA 1.551 56.395 54.840 0.008 0.000 0.807 19 L CB -0.806 41.260 42.059 0.012 0.000 0.927 19 L HN 0.565 nan 8.230 nan 0.000 0.447 20 N N -0.731 117.980 118.700 0.018 0.000 2.751 20 N HA 0.113 4.853 4.740 0.002 0.000 0.234 20 N C -2.167 173.356 175.510 0.022 0.000 1.403 20 N CA -0.715 52.347 53.050 0.019 0.000 0.747 20 N CB 1.108 39.609 38.487 0.023 0.000 1.326 20 N HN -0.185 nan 8.380 nan 0.000 0.532 21 P HA -0.164 nan 4.420 nan 0.000 0.224 21 P C 1.229 178.543 177.300 0.023 0.000 1.142 21 P CA 1.055 64.169 63.100 0.022 0.000 0.778 21 P CB 0.134 31.845 31.700 0.017 0.000 0.764 22 S N -0.991 114.721 115.700 0.020 0.000 2.507 22 S HA -0.042 4.429 4.470 0.002 0.000 0.235 22 S C 1.872 176.484 174.600 0.020 0.000 0.988 22 S CA 0.414 58.626 58.200 0.018 0.000 0.944 22 S CB -1.337 61.872 63.200 0.016 0.000 0.762 22 S HN 0.137 nan 8.310 nan 0.000 0.526 23 L N 0.197 121.434 121.223 0.024 0.000 2.270 23 L HA 0.159 4.500 4.340 0.002 0.000 0.210 23 L C 0.956 177.842 176.870 0.026 0.000 1.104 23 L CA 0.276 55.130 54.840 0.023 0.000 0.804 23 L CB -0.363 41.712 42.059 0.028 0.000 0.937 23 L HN 0.184 nan 8.230 nan 0.000 0.450 24 K N 0.432 120.853 120.400 0.034 0.000 2.561 24 K HA 0.048 4.368 4.320 0.002 0.000 0.280 24 K C 1.230 177.846 176.600 0.027 0.000 0.975 24 K CA 0.745 57.056 56.287 0.040 0.000 1.024 24 K CB 0.067 32.593 32.500 0.042 0.000 0.883 24 K HN 0.266 nan 8.250 nan 0.000 0.496 25 G N 1.902 110.716 108.800 0.023 0.000 2.396 25 G HA2 -0.330 3.631 3.960 0.002 0.000 0.242 25 G HA3 -0.330 3.631 3.960 0.002 0.000 0.242 25 G C 0.013 174.922 174.900 0.015 0.000 1.069 25 G CA 0.264 45.374 45.100 0.017 0.000 0.633 25 G HN 0.538 nan 8.290 nan 0.000 0.517 26 K N 2.074 122.479 120.400 0.009 0.000 2.098 26 K HA 0.457 4.778 4.320 0.002 0.000 0.257 26 K C -2.357 174.234 176.600 -0.016 0.000 0.999 26 K CA -1.485 54.802 56.287 0.001 0.000 0.924 26 K CB 1.290 33.788 32.500 -0.003 0.000 1.028 26 K HN 0.110 nan 8.250 nan 0.000 0.466 27 P HA 0.075 nan 4.420 nan 0.000 0.282 27 P C -0.836 176.391 177.300 -0.121 0.000 1.274 27 P CA -0.201 62.867 63.100 -0.054 0.000 0.770 27 P CB 0.754 32.437 31.700 -0.028 0.000 0.867 28 V N 5.218 125.061 119.914 -0.117 0.000 2.459 28 V HA 0.319 4.440 4.120 0.002 0.000 0.295 28 V C 0.260 176.259 176.094 -0.159 0.000 1.029 28 V CA -0.649 61.575 62.300 -0.128 0.000 0.874 28 V CB 2.202 34.000 31.823 -0.041 0.000 0.985 28 V HN 0.268 nan 8.190 nan 0.000 0.438 29 V N 5.434 125.208 119.914 -0.234 0.000 2.380 29 V HA 0.350 4.471 4.120 0.002 0.000 0.286 29 V C -0.184 175.889 176.094 -0.035 0.000 1.015 29 V CA -0.657 61.538 62.300 -0.176 0.000 0.834 29 V CB 1.763 33.386 31.823 -0.333 0.000 1.009 29 V HN 0.596 nan 8.190 nan 0.000 0.428 30 V N 4.192 124.116 119.914 0.016 0.000 2.455 30 V HA 0.283 4.404 4.120 0.002 0.000 0.273 30 V C 0.281 176.399 176.094 0.039 0.000 1.045 30 V CA -0.064 62.282 62.300 0.076 0.000 0.976 30 V CB 0.825 32.723 31.823 0.125 0.000 0.993 30 V HN 0.991 nan 8.190 nan 0.000 0.475 31 C N 4.471 123.758 119.300 -0.023 0.000 2.470 31 C HA 0.684 5.145 4.460 0.002 0.000 0.341 31 C C 0.235 175.052 174.990 -0.288 0.000 1.190 31 C CA -0.829 58.034 59.018 -0.259 0.000 1.904 31 C CB 1.674 29.018 27.740 -0.660 0.000 2.354 31 C HN 0.585 nan 8.230 nan 0.000 0.509 32 V N 2.301 122.031 119.914 -0.307 0.000 2.275 32 V HA 0.271 4.392 4.120 0.002 0.000 0.272 32 V C -0.677 175.277 176.094 -0.232 0.000 1.028 32 V CA -0.053 62.156 62.300 -0.152 0.000 0.810 32 V CB -0.396 31.400 31.823 -0.045 0.000 1.043 32 V HN 0.701 nan 8.190 nan 0.000 0.453 33 F N 3.053 123.008 119.950 0.009 0.000 2.438 33 F HA 0.166 4.694 4.527 0.002 0.000 0.360 33 F C 1.806 177.576 175.800 -0.050 0.000 1.118 33 F CA 0.000 57.979 58.000 -0.036 0.000 1.164 33 F CB 1.307 40.292 39.000 -0.026 0.000 1.131 33 F HN 0.583 nan 8.300 nan 0.000 0.527 34 S N 1.582 117.310 115.700 0.046 0.000 2.561 34 S HA 0.125 4.596 4.470 0.002 0.000 0.225 34 S C 1.888 176.487 174.600 -0.002 0.000 0.977 34 S CA 0.331 58.529 58.200 -0.003 0.000 0.926 34 S CB -0.307 62.847 63.200 -0.075 0.000 0.769 34 S HN 1.139 nan 8.310 nan 0.000 0.533 35 G N 2.033 110.833 108.800 -0.000 0.000 2.189 35 G HA2 -0.346 3.615 3.960 0.002 0.000 0.267 35 G HA3 -0.346 3.615 3.960 0.002 0.000 0.267 35 G C 1.047 175.935 174.900 -0.020 0.000 0.975 35 G CA 0.473 45.574 45.100 0.001 0.000 0.644 35 G HN 0.532 nan 8.290 nan 0.000 0.537 36 R N -0.645 119.794 120.500 -0.102 0.000 2.148 36 R HA 0.244 4.585 4.340 0.002 0.000 0.227 36 R C 0.879 177.263 176.300 0.141 0.000 1.103 36 R CA 1.629 57.720 56.100 -0.014 0.000 0.983 36 R CB -0.211 30.070 30.300 -0.033 0.000 0.874 36 R HN 1.025 nan 8.270 nan 0.000 0.451 37 F N -4.151 115.826 119.950 0.045 0.000 2.765 37 F HA 0.241 4.769 4.527 0.001 0.000 0.313 37 F C 0.508 176.333 175.800 0.041 0.000 1.136 37 F CA -1.324 56.695 58.000 0.032 0.000 0.952 37 F CB 0.603 39.616 39.000 0.022 0.000 1.268 37 F HN -0.343 nan 8.300 nan 0.000 0.441 38 E N 0.673 121.022 120.200 0.247 0.000 2.813 38 E HA -0.302 4.049 4.350 0.002 0.000 0.233 38 E C 0.158 176.813 176.600 0.091 0.000 0.922 38 E CA 2.787 59.271 56.400 0.141 0.000 1.351 38 E CB -0.373 29.431 29.700 0.173 0.000 1.349 38 E HN 0.816 nan 8.360 nan 0.000 0.485 39 D N 0.377 120.867 120.400 0.151 0.000 2.755 39 D HA 0.090 4.731 4.640 0.002 0.000 0.257 39 D C -0.361 175.899 176.300 -0.066 0.000 1.291 39 D CA 0.086 54.168 54.000 0.135 0.000 0.836 39 D CB 0.077 40.953 40.800 0.126 0.000 1.059 39 D HN 0.092 nan 8.370 nan 0.000 0.486 40 S N -0.265 115.130 115.700 -0.507 0.000 2.572 40 S HA 0.595 5.066 4.470 0.002 0.000 0.279 40 S C 0.757 175.172 174.600 -0.309 0.000 1.341 40 S CA 0.078 57.757 58.200 -0.868 0.000 1.043 40 S CB 1.896 64.221 63.200 -1.457 0.000 0.887 40 S HN 0.378 nan 8.310 nan 0.000 0.516 41 G N 0.498 109.163 108.800 -0.225 0.000 2.347 41 G HA2 0.538 4.499 3.960 0.002 0.000 0.341 41 G HA3 0.538 4.499 3.960 0.002 0.000 0.341 41 G C -0.824 174.000 174.900 -0.127 0.000 1.287 41 G CA -0.359 44.647 45.100 -0.158 0.000 0.984 41 G HN 1.639 nan 8.290 nan 0.000 0.526 42 A N -1.407 121.338 122.820 -0.125 0.000 2.435 42 A HA 0.911 5.232 4.320 0.002 0.000 0.296 42 A C -0.373 177.148 177.584 -0.105 0.000 1.147 42 A CA -0.328 51.657 52.037 -0.087 0.000 0.775 42 A CB 1.742 20.712 19.000 -0.051 0.000 1.340 42 A HN 1.835 nan 8.150 nan 0.000 0.427 43 V N 1.468 121.346 119.914 -0.060 0.000 2.461 43 V HA 0.406 4.527 4.120 0.002 0.000 0.275 43 V C 1.380 177.454 176.094 -0.033 0.000 1.047 43 V CA 0.561 62.834 62.300 -0.044 0.000 0.955 43 V CB 0.701 32.516 31.823 -0.014 0.000 0.988 43 V HN 1.162 nan 8.190 nan 0.000 0.471 44 A N 4.239 127.053 122.820 -0.010 0.000 1.897 44 A HA 0.177 4.498 4.320 0.002 0.000 0.215 44 A C 1.119 178.665 177.584 -0.063 0.000 1.181 44 A CA 1.669 53.709 52.037 0.005 0.000 0.620 44 A CB 0.114 19.199 19.000 0.143 0.000 0.821 44 A HN 0.767 nan 8.150 nan 0.000 0.443 45 T N -3.728 110.801 114.554 -0.041 0.000 2.722 45 T HA 0.547 4.898 4.350 0.002 0.000 0.314 45 T C -1.868 172.806 174.700 -0.043 0.000 1.675 45 T CA 0.148 62.207 62.100 -0.069 0.000 1.003 45 T CB 1.163 69.962 68.868 -0.114 0.000 1.602 45 T HN 1.266 nan 8.240 nan 0.000 0.496 46 A N 2.106 124.886 122.820 -0.067 0.000 2.572 46 A HA 0.779 5.100 4.320 0.002 0.000 0.295 46 A C -0.592 176.907 177.584 -0.141 0.000 1.072 46 A CA -0.833 51.152 52.037 -0.086 0.000 0.691 46 A CB 1.320 20.259 19.000 -0.103 0.000 1.291 46 A HN 1.004 nan 8.150 nan 0.000 0.404 47 N N -0.154 118.442 118.700 -0.173 0.000 2.347 47 N HA 0.197 4.938 4.740 0.002 0.000 0.253 47 N C 0.296 175.556 175.510 -0.416 0.000 1.274 47 N CA 0.013 52.797 53.050 -0.444 0.000 0.941 47 N CB -0.135 38.067 38.487 -0.476 0.000 1.200 47 N HN 0.557 nan 8.380 nan 0.000 0.514 48 Y N -0.605 119.396 120.300 -0.499 0.000 2.274 48 Y HA -0.132 4.419 4.550 0.001 0.000 0.290 48 Y C 2.047 177.832 175.900 -0.191 0.000 1.145 48 Y CA 1.529 59.464 58.100 -0.274 0.000 1.203 48 Y CB -0.293 38.019 38.460 -0.247 0.000 0.984 48 Y HN 0.585 nan 8.280 nan 0.000 0.533 49 E N -0.246 119.927 120.200 -0.045 0.000 2.267 49 E HA -0.170 4.181 4.350 0.002 0.000 0.197 49 E C 2.041 178.681 176.600 0.067 0.000 0.998 49 E CA 1.218 57.620 56.400 0.003 0.000 0.830 49 E CB -0.547 29.159 29.700 0.011 0.000 0.751 49 E HN 0.504 nan 8.360 nan 0.000 0.491 50 A N 1.421 124.243 122.820 0.003 0.000 2.063 50 A HA 0.066 4.387 4.320 0.002 0.000 0.211 50 A C 2.067 179.667 177.584 0.027 0.000 1.177 50 A CA -0.029 52.048 52.037 0.066 0.000 0.759 50 A CB 0.028 19.009 19.000 -0.031 0.000 0.857 50 A HN 0.043 nan 8.150 nan 0.000 0.468 51 R N 0.937 121.374 120.500 -0.104 0.000 2.276 51 R HA -0.043 4.298 4.340 0.002 0.000 0.203 51 R C 1.337 177.560 176.300 -0.128 0.000 1.017 51 R CA 1.181 57.198 56.100 -0.138 0.000 1.010 51 R CB -0.287 29.841 30.300 -0.286 0.000 0.900 51 R HN 0.684 nan 8.270 nan 0.000 0.469 52 K N -0.105 120.180 120.400 -0.191 0.000 2.486 52 K HA 0.013 4.334 4.320 0.002 0.000 0.194 52 K C 0.591 176.910 176.600 -0.469 0.000 1.033 52 K CA 0.803 56.890 56.287 -0.333 0.000 1.004 52 K CB 0.098 32.339 32.500 -0.431 0.000 0.798 52 K HN 0.130 nan 8.250 nan 0.000 0.495 53 F N 0.571 120.507 119.950 -0.023 0.000 2.654 53 F HA 0.308 4.837 4.527 0.002 0.000 0.303 53 F C 1.207 177.000 175.800 -0.012 0.000 1.099 53 F CA 0.001 57.993 58.000 -0.012 0.000 1.270 53 F CB 1.429 40.424 39.000 -0.008 0.000 1.024 53 F HN 0.278 nan 8.300 nan 0.000 0.548 54 G N 0.348 109.198 108.800 0.084 0.000 2.175 54 G HA2 -0.253 3.708 3.960 0.002 0.000 0.244 54 G HA3 -0.253 3.708 3.960 0.002 0.000 0.244 54 G C -0.016 174.909 174.900 0.043 0.000 0.982 54 G CA -0.069 45.061 45.100 0.051 0.000 0.641 54 G HN 0.086 nan 8.290 nan 0.000 0.527 55 V N 2.459 122.407 119.914 0.057 0.000 2.432 55 V HA 0.607 4.728 4.120 0.002 0.000 0.271 55 V C 0.586 176.670 176.094 -0.018 0.000 1.046 55 V CA 0.969 63.291 62.300 0.036 0.000 0.945 55 V CB 0.942 32.800 31.823 0.059 0.000 0.992 55 V HN 0.768 nan 8.190 nan 0.000 0.471 56 K N 3.821 124.207 120.400 -0.024 0.000 2.556 56 K HA 0.821 5.142 4.320 0.002 0.000 0.289 56 K C -0.673 175.899 176.600 -0.046 0.000 1.040 56 K CA -0.929 55.324 56.287 -0.057 0.000 0.894 56 K CB 1.580 34.036 32.500 -0.073 0.000 1.547 56 K HN 0.530 nan 8.250 nan 0.000 0.417 57 A N 0.150 122.933 122.820 -0.063 0.000 2.561 57 A HA 0.408 4.729 4.320 0.002 0.000 0.251 57 A C 1.192 178.751 177.584 -0.042 0.000 1.062 57 A CA 1.437 53.440 52.037 -0.057 0.000 0.761 57 A CB -1.396 17.559 19.000 -0.075 0.000 0.986 57 A HN 1.414 nan 8.150 nan 0.000 0.510 58 G N 1.769 110.549 108.800 -0.033 0.000 2.424 58 G HA2 -0.203 3.758 3.960 0.002 0.000 0.207 58 G HA3 -0.203 3.758 3.960 0.002 0.000 0.207 58 G C 0.508 175.397 174.900 -0.017 0.000 1.061 58 G CA 0.000 45.085 45.100 -0.025 0.000 0.657 58 G HN 1.912 nan 8.290 nan 0.000 0.508 59 I N 1.123 121.686 120.570 -0.011 0.000 2.696 59 I HA 0.596 4.767 4.170 0.002 0.000 0.284 59 I C -2.175 173.941 176.117 -0.002 0.000 1.129 59 I CA -1.827 59.473 61.300 -0.000 0.000 1.410 59 I CB 0.708 38.715 38.000 0.011 0.000 1.399 59 I HN -0.003 nan 8.210 nan 0.000 0.579 60 P HA 0.164 nan 4.420 nan 0.000 0.269 60 P C 0.607 177.907 177.300 -0.000 0.000 1.215 60 P CA 0.004 63.105 63.100 0.002 0.000 0.780 60 P CB 0.682 32.400 31.700 0.031 0.000 0.898 61 I N 1.480 122.030 120.570 -0.033 0.000 2.286 61 I HA -0.212 3.959 4.170 0.002 0.000 0.248 61 I C 2.026 178.124 176.117 -0.032 0.000 1.115 61 I CA 1.252 62.523 61.300 -0.048 0.000 1.392 61 I CB -0.341 37.580 38.000 -0.133 0.000 1.065 61 I HN 0.163 nan 8.210 nan 0.000 0.418 62 V N 0.644 120.566 119.914 0.013 0.000 2.407 62 V HA -0.228 3.893 4.120 0.002 0.000 0.248 62 V C 2.463 178.571 176.094 0.022 0.000 1.055 62 V CA 1.673 63.994 62.300 0.034 0.000 1.049 62 V CB -0.592 31.298 31.823 0.111 0.000 0.662 62 V HN 0.412 nan 8.190 nan 0.000 0.455 63 E N 0.335 120.554 120.200 0.032 0.000 2.107 63 E HA -0.095 4.256 4.350 0.002 0.000 0.191 63 E C 2.373 179.000 176.600 0.045 0.000 0.982 63 E CA 1.341 57.762 56.400 0.034 0.000 0.809 63 E CB -0.449 29.271 29.700 0.034 0.000 0.756 63 E HN 0.571 nan 8.360 nan 0.000 0.459 64 A N 1.741 124.599 122.820 0.062 0.000 1.933 64 A HA -0.181 4.140 4.320 0.002 0.000 0.218 64 A C 2.068 179.739 177.584 0.145 0.000 1.175 64 A CA 1.424 53.535 52.037 0.123 0.000 0.628 64 A CB -0.296 18.825 19.000 0.201 0.000 0.814 64 A HN 0.092 nan 8.150 nan 0.000 0.444 65 K N -0.407 120.017 120.400 0.040 0.000 2.217 65 K HA -0.066 4.255 4.320 0.002 0.000 0.202 65 K C 2.004 178.615 176.600 0.019 0.000 1.051 65 K CA 1.209 57.488 56.287 -0.014 0.000 0.952 65 K CB -0.097 32.290 32.500 -0.189 0.000 0.736 65 K HN 0.397 nan 8.250 nan 0.000 0.453 66 K N 0.760 121.170 120.400 0.017 0.000 2.057 66 K HA -0.086 4.235 4.320 0.002 0.000 0.207 66 K C 1.981 178.591 176.600 0.016 0.000 1.049 66 K CA 1.185 57.480 56.287 0.014 0.000 0.931 66 K CB 0.025 32.535 32.500 0.016 0.000 0.714 66 K HN 0.104 nan 8.250 nan 0.000 0.440 67 I N 0.164 120.753 120.570 0.032 0.000 2.296 67 I HA -0.148 4.023 4.170 0.002 0.000 0.242 67 I C 0.851 176.957 176.117 -0.018 0.000 1.087 67 I CA 0.873 62.183 61.300 0.018 0.000 1.393 67 I CB 0.221 38.251 38.000 0.050 0.000 1.093 67 I HN 0.011 nan 8.210 nan 0.000 0.421 68 L N 2.538 123.784 121.223 0.038 0.000 2.709 68 L HA 0.243 4.584 4.340 0.002 0.000 0.236 68 L C -1.482 175.465 176.870 0.128 0.000 1.266 68 L CA -1.122 53.731 54.840 0.022 0.000 0.987 68 L CB 0.519 42.594 42.059 0.025 0.000 1.306 68 L HN -0.036 nan 8.230 nan 0.000 0.467 69 P HA -0.173 nan 4.420 nan 0.000 0.218 69 P C 0.491 177.871 177.300 0.134 0.000 1.146 69 P CA 1.356 64.507 63.100 0.086 0.000 0.813 69 P CB 0.308 32.023 31.700 0.026 0.000 0.778 70 N N -0.713 118.043 118.700 0.093 0.000 2.236 70 N HA 0.147 4.888 4.740 0.002 0.000 0.196 70 N C 0.990 176.546 175.510 0.077 0.000 1.114 70 N CA 0.013 53.111 53.050 0.081 0.000 0.859 70 N CB 0.184 38.685 38.487 0.022 0.000 0.982 70 N HN 0.131 nan 8.380 nan 0.000 0.493 71 A N 0.656 123.519 122.820 0.072 0.000 2.364 71 A HA 0.300 4.621 4.320 0.002 0.000 0.258 71 A C 0.365 177.865 177.584 -0.140 0.000 1.131 71 A CA -0.045 51.931 52.037 -0.101 0.000 0.800 71 A CB 0.329 19.161 19.000 -0.281 0.000 1.086 71 A HN -0.021 nan 8.150 nan 0.000 0.508 72 V N 0.293 120.059 119.914 -0.246 0.000 2.370 72 V HA 0.315 4.436 4.120 0.002 0.000 0.279 72 V C -1.199 174.713 176.094 -0.302 0.000 1.029 72 V CA -0.029 62.192 62.300 -0.133 0.000 0.870 72 V CB 0.302 32.094 31.823 -0.052 0.000 0.984 72 V HN 0.615 nan 8.190 nan 0.000 0.451 73 Y N 5.509 125.861 120.300 0.087 0.000 2.342 73 Y HA 0.661 5.212 4.550 0.002 0.000 0.338 73 Y C -0.005 175.998 175.900 0.172 0.000 0.965 73 Y CA -0.544 57.630 58.100 0.124 0.000 1.159 73 Y CB 1.292 39.851 38.460 0.166 0.000 1.157 73 Y HN 0.438 nan 8.280 nan 0.000 0.486 74 L N 6.306 127.677 121.223 0.246 0.000 2.346 74 L HA 0.587 4.928 4.340 0.002 0.000 0.274 74 L C -2.430 174.618 176.870 0.298 0.000 1.007 74 L CA -2.423 52.563 54.840 0.244 0.000 0.818 74 L CB 2.252 44.404 42.059 0.154 0.000 1.284 74 L HN 0.365 nan 8.230 nan 0.000 0.424 75 P HA 0.028 nan 4.420 nan 0.000 0.271 75 P C -0.588 176.848 177.300 0.227 0.000 1.216 75 P CA -0.434 62.894 63.100 0.379 0.000 0.771 75 P CB 1.048 32.950 31.700 0.338 0.000 0.864 76 M N 4.342 124.062 119.600 0.201 0.000 2.252 76 M HA 0.012 4.493 4.480 0.002 0.000 0.348 76 M C 0.268 176.607 176.300 0.065 0.000 1.334 76 M CA 0.707 56.138 55.300 0.219 0.000 1.071 76 M CB 0.037 32.778 32.600 0.234 0.000 1.763 76 M HN 0.271 nan 8.290 nan 0.000 0.452 77 R N 3.931 124.342 120.500 -0.148 0.000 2.724 77 R HA 0.109 4.450 4.340 0.002 0.000 0.284 77 R C 0.516 176.206 176.300 -1.017 0.000 1.481 77 R CA -0.475 55.330 56.100 -0.492 0.000 1.652 77 R CB 0.548 30.575 30.300 -0.456 0.000 1.175 77 R HN 0.669 nan 8.270 nan 0.000 0.613 78 K N 1.577 121.669 120.400 -0.513 0.000 2.059 78 K HA -0.223 4.098 4.320 0.002 0.000 0.212 78 K C 1.433 177.837 176.600 -0.327 0.000 1.050 78 K CA 1.808 57.876 56.287 -0.365 0.000 0.927 78 K CB 0.281 32.746 32.500 -0.058 0.000 0.714 78 K HN 0.320 nan 8.250 nan 0.000 0.447 79 E N -0.113 119.941 120.200 -0.244 0.000 2.110 79 E HA -0.146 4.205 4.350 0.002 0.000 0.193 79 E C 2.147 178.638 176.600 -0.180 0.000 0.988 79 E CA 1.361 57.679 56.400 -0.137 0.000 0.804 79 E CB -0.347 29.306 29.700 -0.077 0.000 0.745 79 E HN 0.176 nan 8.360 nan 0.000 0.458 80 V N 1.179 120.885 119.914 -0.348 0.000 2.295 80 V HA -0.265 3.856 4.120 0.002 0.000 0.246 80 V C 2.195 178.173 176.094 -0.194 0.000 1.049 80 V CA 1.822 63.946 62.300 -0.295 0.000 1.024 80 V CB -0.788 30.804 31.823 -0.386 0.000 0.648 80 V HN 0.182 nan 8.190 nan 0.000 0.447 81 Y N 0.307 120.510 120.300 -0.162 0.000 2.274 81 Y HA -0.185 4.366 4.550 0.002 0.000 0.290 81 Y C 2.528 178.519 175.900 0.152 0.000 1.145 81 Y CA 1.148 59.158 58.100 -0.150 0.000 1.203 81 Y CB -1.114 37.099 38.460 -0.412 0.000 0.984 81 Y HN 0.299 nan 8.280 nan 0.000 0.533 82 Q N 0.780 120.698 119.800 0.197 0.000 2.079 82 Q HA -0.173 4.168 4.340 0.002 0.000 0.200 82 Q C 1.939 178.042 176.000 0.171 0.000 0.974 82 Q CA 1.848 57.778 55.803 0.212 0.000 0.840 82 Q CB -0.255 28.557 28.738 0.124 0.000 0.898 82 Q HN 0.573 nan 8.270 nan 0.000 0.430 83 Q N -0.926 118.935 119.800 0.101 0.000 2.119 83 Q HA -0.067 4.274 4.340 0.002 0.000 0.201 83 Q C 2.083 178.145 176.000 0.102 0.000 0.972 83 Q CA 1.428 57.278 55.803 0.078 0.000 0.847 83 Q CB 0.129 28.888 28.738 0.034 0.000 0.903 83 Q HN 0.256 nan 8.270 nan 0.000 0.433 84 V N 0.358 120.354 119.914 0.137 0.000 2.427 84 V HA -0.235 3.886 4.120 0.002 0.000 0.248 84 V C 2.329 178.551 176.094 0.213 0.000 1.051 84 V CA 1.824 64.213 62.300 0.148 0.000 1.048 84 V CB -0.407 31.503 31.823 0.146 0.000 0.666 84 V HN 0.346 nan 8.190 nan 0.000 0.456 85 S N -0.094 115.820 115.700 0.357 0.000 2.356 85 S HA -0.202 4.269 4.470 0.002 0.000 0.223 85 S C 2.272 176.979 174.600 0.178 0.000 1.032 85 S CA 2.078 60.474 58.200 0.327 0.000 1.005 85 S CB -0.313 63.115 63.200 0.381 0.000 0.867 85 S HN 0.624 nan 8.310 nan 0.000 0.449 86 S N 1.770 117.556 115.700 0.144 0.000 2.365 86 S HA -0.113 4.358 4.470 0.002 0.000 0.225 86 S C 1.980 176.622 174.600 0.069 0.000 1.039 86 S CA 1.323 59.580 58.200 0.095 0.000 1.033 86 S CB -0.436 62.810 63.200 0.076 0.000 0.887 86 S HN 0.545 nan 8.310 nan 0.000 0.447 87 R N 0.590 121.124 120.500 0.056 0.000 2.096 87 R HA 0.039 4.380 4.340 0.002 0.000 0.235 87 R C 2.192 178.498 176.300 0.009 0.000 1.127 87 R CA 1.227 57.344 56.100 0.030 0.000 0.968 87 R CB -0.522 29.790 30.300 0.020 0.000 0.861 87 R HN 0.426 nan 8.270 nan 0.000 0.440 88 I N 0.432 120.991 120.570 -0.018 0.000 2.439 88 I HA -0.219 3.952 4.170 0.002 0.000 0.251 88 I C 2.191 178.313 176.117 0.009 0.000 1.139 88 I CA 0.800 62.049 61.300 -0.086 0.000 1.438 88 I CB -0.142 37.651 38.000 -0.345 0.000 1.085 88 I HN 0.132 nan 8.210 nan 0.000 0.427 89 M N 0.251 119.896 119.600 0.074 0.000 2.175 89 M HA -0.133 4.348 4.480 0.002 0.000 0.264 89 M C 1.963 178.301 176.300 0.064 0.000 1.063 89 M CA 1.474 56.825 55.300 0.086 0.000 1.119 89 M CB -1.496 31.158 32.600 0.089 0.000 1.377 89 M HN 0.234 nan 8.290 nan 0.000 0.415 90 N N 0.911 119.645 118.700 0.056 0.000 2.104 90 N HA -0.105 4.636 4.740 0.002 0.000 0.190 90 N C 1.913 177.468 175.510 0.074 0.000 1.024 90 N CA 1.218 54.302 53.050 0.057 0.000 0.853 90 N CB -0.523 37.991 38.487 0.045 0.000 1.008 90 N HN 0.382 nan 8.380 nan 0.000 0.424 91 L N 0.733 121.996 121.223 0.067 0.000 1.989 91 L HA -0.145 4.196 4.340 0.002 0.000 0.211 91 L C 2.322 179.298 176.870 0.176 0.000 1.071 91 L CA 0.985 55.891 54.840 0.109 0.000 0.749 91 L CB -0.724 41.368 42.059 0.056 0.000 0.890 91 L HN 0.118 nan 8.230 nan 0.000 0.431 92 L N -0.314 120.948 121.223 0.064 0.000 2.042 92 L HA -0.240 4.101 4.340 0.002 0.000 0.210 92 L C 2.790 179.769 176.870 0.182 0.000 1.076 92 L CA 1.272 56.124 54.840 0.020 0.000 0.749 92 L CB -0.634 41.411 42.059 -0.023 0.000 0.893 92 L HN 0.276 nan 8.230 nan 0.000 0.432 93 R N 0.841 121.425 120.500 0.140 0.000 2.226 93 R HA -0.204 4.137 4.340 0.002 0.000 0.246 93 R C 1.586 177.977 176.300 0.153 0.000 1.161 93 R CA 1.418 57.594 56.100 0.127 0.000 0.997 93 R CB -0.086 30.267 30.300 0.088 0.000 0.870 93 R HN 0.459 nan 8.270 nan 0.000 0.465 94 E N -1.157 119.176 120.200 0.221 0.000 2.463 94 E HA -0.108 4.243 4.350 0.002 0.000 0.191 94 E C -0.033 176.584 176.600 0.028 0.000 1.083 94 E CA 0.270 56.742 56.400 0.120 0.000 0.872 94 E CB 0.335 30.085 29.700 0.083 0.000 0.966 94 E HN 0.480 nan 8.360 nan 0.000 0.491 95 Y N -1.007 119.307 120.300 0.023 0.000 2.527 95 Y HA 0.346 4.896 4.550 0.002 0.000 0.247 95 Y C 0.319 176.239 175.900 0.035 0.000 1.138 95 Y CA -0.359 57.757 58.100 0.027 0.000 1.228 95 Y CB 1.438 39.914 38.460 0.026 0.000 1.252 95 Y HN -0.183 nan 8.280 nan 0.000 0.531 96 S N -1.115 114.687 115.700 0.170 0.000 2.586 96 S HA 0.293 4.764 4.470 0.002 0.000 0.277 96 S C -0.186 174.468 174.600 0.090 0.000 1.131 96 S CA -0.486 57.784 58.200 0.117 0.000 0.848 96 S CB 0.938 64.217 63.200 0.130 0.000 1.091 96 S HN 0.047 nan 8.310 nan 0.000 0.453 97 E N 1.390 121.632 120.200 0.069 0.000 2.140 97 E HA 0.204 4.555 4.350 0.002 0.000 0.191 97 E C -0.256 176.381 176.600 0.063 0.000 0.973 97 E CA 0.838 57.272 56.400 0.057 0.000 0.829 97 E CB 0.086 29.811 29.700 0.042 0.000 0.781 97 E HN 0.361 nan 8.360 nan 0.000 0.466 98 K N 1.010 121.452 120.400 0.069 0.000 2.183 98 K HA 0.331 4.652 4.320 0.002 0.000 0.272 98 K C -0.618 176.040 176.600 0.095 0.000 1.113 98 K CA 0.089 56.420 56.287 0.073 0.000 0.949 98 K CB 0.488 33.029 32.500 0.068 0.000 1.365 98 K HN 0.056 nan 8.250 nan 0.000 0.420 99 I N 1.174 121.800 120.570 0.094 0.000 2.498 99 I HA 0.234 4.405 4.170 0.002 0.000 0.290 99 I C -1.155 175.030 176.117 0.114 0.000 1.032 99 I CA -0.647 60.720 61.300 0.111 0.000 1.073 99 I CB 1.452 39.508 38.000 0.094 0.000 1.251 99 I HN 0.510 nan 8.210 nan 0.000 0.426 100 E N 8.235 128.532 120.200 0.161 0.000 2.145 100 E HA 0.385 4.736 4.350 0.002 0.000 0.262 100 E C -1.201 175.515 176.600 0.193 0.000 0.883 100 E CA -0.659 55.841 56.400 0.166 0.000 0.748 100 E CB 1.168 30.970 29.700 0.170 0.000 1.140 100 E HN 0.595 nan 8.360 nan 0.000 0.417 101 I N 4.944 125.586 120.570 0.120 0.000 2.329 101 I HA 0.115 4.286 4.170 0.002 0.000 0.295 101 I C 1.098 177.275 176.117 0.100 0.000 1.109 101 I CA -0.073 61.275 61.300 0.081 0.000 1.297 101 I CB 1.088 39.121 38.000 0.054 0.000 1.433 101 I HN 0.678 nan 8.210 nan 0.000 0.509 102 A N 4.811 127.711 122.820 0.134 0.000 1.970 102 A HA 0.041 4.362 4.320 0.002 0.000 0.216 102 A C 1.164 178.792 177.584 0.074 0.000 1.170 102 A CA 1.317 53.449 52.037 0.158 0.000 0.645 102 A CB -0.006 19.185 19.000 0.318 0.000 0.816 102 A HN 0.708 nan 8.150 nan 0.000 0.447 103 S N -2.778 112.927 115.700 0.009 0.000 2.800 103 S HA 0.418 4.889 4.470 0.002 0.000 0.293 103 S C 0.582 175.157 174.600 -0.042 0.000 1.209 103 S CA 0.127 58.323 58.200 -0.007 0.000 0.884 103 S CB -0.010 63.177 63.200 -0.022 0.000 1.244 103 S HN 0.363 nan 8.310 nan 0.000 0.540 104 I N 1.214 121.783 120.570 -0.000 0.000 2.916 104 I HA -0.001 4.169 4.170 0.002 0.000 0.267 104 I C 0.599 176.614 176.117 -0.171 0.000 1.263 104 I CA 1.898 63.226 61.300 0.047 0.000 1.471 104 I CB -0.156 37.998 38.000 0.257 0.000 1.089 104 I HN 0.785 nan 8.210 nan 0.000 0.468 105 D N 0.317 120.460 120.400 -0.429 0.000 2.651 105 D HA 0.049 4.690 4.640 0.002 0.000 0.280 105 D C -0.295 175.170 176.300 -1.391 0.000 1.496 105 D CA -0.261 53.073 54.000 -1.109 0.000 0.792 105 D CB -0.006 40.244 40.800 -0.917 0.000 1.144 105 D HN 0.602 nan 8.370 nan 0.000 0.470 106 E N -0.300 119.402 120.200 -0.830 0.000 2.352 106 E HA 0.696 5.047 4.350 0.002 0.000 0.280 106 E C -1.775 174.547 176.600 -0.464 0.000 0.930 106 E CA -1.249 54.688 56.400 -0.771 0.000 0.765 106 E CB 2.187 31.629 29.700 -0.430 0.000 1.219 106 E HN 0.102 nan 8.360 nan 0.000 0.434 107 A N 2.043 124.527 122.820 -0.560 0.000 2.587 107 A HA 0.655 4.976 4.320 0.002 0.000 0.293 107 A C -2.036 175.422 177.584 -0.210 0.000 1.087 107 A CA -0.784 51.130 52.037 -0.204 0.000 0.692 107 A CB 1.113 20.049 19.000 -0.107 0.000 1.291 107 A HN 0.523 nan 8.150 nan 0.000 0.407 108 Y N 0.269 120.649 120.300 0.133 0.000 2.409 108 Y HA 0.686 5.237 4.550 0.002 0.000 0.339 108 Y C -0.007 175.960 175.900 0.111 0.000 1.033 108 Y CA -0.681 57.536 58.100 0.195 0.000 1.094 108 Y CB 1.744 40.335 38.460 0.219 0.000 1.210 108 Y HN 0.521 nan 8.280 nan 0.000 0.456 109 L N 2.848 124.223 121.223 0.254 0.000 2.365 109 L HA 0.382 4.723 4.340 0.002 0.000 0.273 109 L C -0.859 176.124 176.870 0.189 0.000 1.000 109 L CA -0.892 54.055 54.840 0.179 0.000 0.819 109 L CB 1.963 44.096 42.059 0.124 0.000 1.284 109 L HN 0.581 nan 8.230 nan 0.000 0.418 110 D N 4.094 124.587 120.400 0.155 0.000 2.456 110 D HA 0.229 4.870 4.640 0.002 0.000 0.219 110 D C 0.361 176.736 176.300 0.125 0.000 1.126 110 D CA -0.330 53.754 54.000 0.140 0.000 0.890 110 D CB 0.833 41.698 40.800 0.109 0.000 1.025 110 D HN 0.493 nan 8.370 nan 0.000 0.511 111 I N 0.667 121.319 120.570 0.137 0.000 3.801 111 I HA 0.200 4.371 4.170 0.002 0.000 0.338 111 I C 0.909 177.084 176.117 0.097 0.000 1.513 111 I CA -0.545 60.827 61.300 0.120 0.000 1.197 111 I CB 0.259 38.341 38.000 0.137 0.000 1.300 111 I HN -0.065 nan 8.210 nan 0.000 0.433 112 S N 2.314 118.066 115.700 0.087 0.000 2.368 112 S HA -0.169 4.302 4.470 0.002 0.000 0.225 112 S C 0.860 175.480 174.600 0.033 0.000 1.030 112 S CA 1.969 60.206 58.200 0.062 0.000 0.999 112 S CB -0.357 62.882 63.200 0.066 0.000 0.844 112 S HN 0.885 nan 8.310 nan 0.000 0.459 113 D N -0.446 119.975 120.400 0.035 0.000 3.123 113 D HA 0.424 5.065 4.640 0.002 0.000 0.305 113 D C 0.202 176.518 176.300 0.027 0.000 1.373 113 D CA -0.276 53.736 54.000 0.020 0.000 0.889 113 D CB 0.476 41.283 40.800 0.012 0.000 1.070 113 D HN -0.040 nan 8.370 nan 0.000 0.494 114 K N -0.738 119.685 120.400 0.038 0.000 2.589 114 K HA 0.321 4.642 4.320 0.002 0.000 0.218 114 K C -0.633 175.995 176.600 0.046 0.000 1.468 114 K CA 0.083 56.396 56.287 0.044 0.000 1.002 114 K CB 1.847 34.389 32.500 0.069 0.000 1.200 114 K HN 0.159 nan 8.250 nan 0.000 0.614 115 V N 0.332 120.270 119.914 0.041 0.000 3.206 115 V HA 0.530 4.651 4.120 0.002 0.000 0.305 115 V C -1.537 174.560 176.094 0.005 0.000 1.257 115 V CA -1.100 61.222 62.300 0.036 0.000 1.057 115 V CB 2.587 34.448 31.823 0.064 0.000 1.075 115 V HN -0.024 nan 8.190 nan 0.000 0.443 116 R N 2.499 122.994 120.500 -0.007 0.000 2.500 116 R HA 0.563 4.904 4.340 0.002 0.000 0.299 116 R C -1.055 175.203 176.300 -0.071 0.000 1.038 116 R CA -0.400 55.680 56.100 -0.032 0.000 0.903 116 R CB 1.469 31.764 30.300 -0.008 0.000 1.177 116 R HN 1.024 nan 8.270 nan 0.000 0.455 117 D N 1.651 121.944 120.400 -0.177 0.000 10.655 117 D HA -0.262 4.379 4.640 0.002 0.000 0.358 117 D C -0.493 175.671 176.300 -0.226 0.000 3.091 117 D CA 0.345 54.179 54.000 -0.277 0.000 2.547 117 D CB -0.185 40.528 40.800 -0.144 0.000 1.197 117 D HN 0.440 nan 8.370 nan 0.000 0.966 118 Y N 0.082 120.388 120.300 0.011 0.000 2.457 118 Y HA 0.075 4.626 4.550 0.001 0.000 0.292 118 Y C 2.764 178.716 175.900 0.087 0.000 1.125 118 Y CA 1.421 59.555 58.100 0.057 0.000 1.254 118 Y CB -0.505 37.988 38.460 0.054 0.000 1.012 118 Y HN 0.445 nan 8.280 nan 0.000 0.555 119 R N 0.945 121.550 120.500 0.175 0.000 2.082 119 R HA -0.216 4.125 4.340 0.002 0.000 0.234 119 R C 1.855 178.265 176.300 0.183 0.000 1.136 119 R CA 2.245 58.430 56.100 0.141 0.000 0.935 119 R CB -0.246 30.095 30.300 0.069 0.000 0.842 119 R HN 0.367 nan 8.270 nan 0.000 0.430 120 E N -0.147 120.130 120.200 0.128 0.000 2.118 120 E HA -0.212 4.139 4.350 0.002 0.000 0.195 120 E C 1.964 178.657 176.600 0.155 0.000 0.992 120 E CA 1.180 57.651 56.400 0.119 0.000 0.804 120 E CB -0.143 29.602 29.700 0.075 0.000 0.741 120 E HN 0.515 nan 8.360 nan 0.000 0.458 121 A N 0.946 123.881 122.820 0.192 0.000 1.865 121 A HA -0.248 4.073 4.320 0.002 0.000 0.217 121 A C 2.045 179.763 177.584 0.224 0.000 1.191 121 A CA 1.604 53.777 52.037 0.228 0.000 0.623 121 A CB -1.023 18.191 19.000 0.356 0.000 0.826 121 A HN 0.388 nan 8.150 nan 0.000 0.444 122 Y N 1.501 121.881 120.300 0.133 0.000 2.114 122 Y HA -0.290 4.261 4.550 0.002 0.000 0.282 122 Y C 2.283 178.223 175.900 0.068 0.000 1.165 122 Y CA 2.369 60.522 58.100 0.087 0.000 1.148 122 Y CB -0.224 38.282 38.460 0.076 0.000 0.972 122 Y HN 0.360 nan 8.280 nan 0.000 0.504 123 N N -0.045 118.777 118.700 0.203 0.000 2.244 123 N HA -0.149 4.592 4.740 0.002 0.000 0.183 123 N C 1.772 177.317 175.510 0.059 0.000 1.016 123 N CA 1.180 54.297 53.050 0.112 0.000 0.866 123 N CB -0.593 37.972 38.487 0.130 0.000 0.980 123 N HN 0.370 nan 8.380 nan 0.000 0.430 124 L N 1.030 122.303 121.223 0.083 0.000 2.201 124 L HA 0.086 4.427 4.340 0.002 0.000 0.212 124 L C 1.935 178.815 176.870 0.017 0.000 1.105 124 L CA 1.167 56.066 54.840 0.098 0.000 0.775 124 L CB -1.001 41.140 42.059 0.137 0.000 0.913 124 L HN 0.085 nan 8.230 nan 0.000 0.440 125 G N -0.304 108.467 108.800 -0.049 0.000 2.453 125 G HA2 -0.232 3.729 3.960 0.002 0.000 0.215 125 G HA3 -0.232 3.729 3.960 0.002 0.000 0.215 125 G C 1.556 176.366 174.900 -0.150 0.000 1.201 125 G CA 1.020 46.041 45.100 -0.132 0.000 0.784 125 G HN 0.414 nan 8.290 nan 0.000 0.545 126 L N 0.267 121.390 121.223 -0.168 0.000 2.013 126 L HA -0.130 4.211 4.340 0.002 0.000 0.212 126 L C 2.883 179.718 176.870 -0.058 0.000 1.073 126 L CA 1.637 56.405 54.840 -0.120 0.000 0.753 126 L CB -0.618 41.382 42.059 -0.098 0.000 0.890 126 L HN 0.288 nan 8.230 nan 0.000 0.432 127 E N 0.130 120.324 120.200 -0.009 0.000 2.147 127 E HA -0.256 4.095 4.350 0.002 0.000 0.199 127 E C 2.216 178.825 176.600 0.015 0.000 1.005 127 E CA 1.451 57.883 56.400 0.052 0.000 0.810 127 E CB -0.153 29.635 29.700 0.145 0.000 0.736 127 E HN 0.528 nan 8.360 nan 0.000 0.460 128 I N 0.616 121.122 120.570 -0.107 0.000 2.235 128 I HA -0.231 3.940 4.170 0.002 0.000 0.241 128 I C 2.299 178.311 176.117 -0.175 0.000 1.085 128 I CA 0.950 62.080 61.300 -0.283 0.000 1.378 128 I CB -0.173 37.580 38.000 -0.413 0.000 1.076 128 I HN -0.006 nan 8.210 nan 0.000 0.415 129 K N 0.796 121.113 120.400 -0.139 0.000 2.001 129 K HA -0.253 4.067 4.320 0.002 0.000 0.214 129 K C 1.944 178.496 176.600 -0.081 0.000 1.050 129 K CA 2.208 58.430 56.287 -0.108 0.000 0.934 129 K CB -0.366 32.074 32.500 -0.100 0.000 0.718 129 K HN 0.145 nan 8.250 nan 0.000 0.443 130 N N 0.726 119.391 118.700 -0.059 0.000 2.094 130 N HA -0.198 4.543 4.740 0.002 0.000 0.191 130 N C 1.575 177.070 175.510 -0.025 0.000 1.023 130 N CA 1.453 54.483 53.050 -0.033 0.000 0.857 130 N CB -0.012 38.466 38.487 -0.014 0.000 1.013 130 N HN 0.024 nan 8.380 nan 0.000 0.426 131 K N 0.444 120.832 120.400 -0.020 0.000 2.057 131 K HA 0.109 4.430 4.320 0.002 0.000 0.206 131 K C 1.676 178.256 176.600 -0.033 0.000 1.050 131 K CA 0.924 57.211 56.287 -0.000 0.000 0.935 131 K CB -0.171 32.362 32.500 0.055 0.000 0.715 131 K HN 0.211 nan 8.250 nan 0.000 0.439 132 I N 0.384 120.909 120.570 -0.076 0.000 2.315 132 I HA -0.207 3.964 4.170 0.002 0.000 0.248 132 I C 1.992 178.053 176.117 -0.094 0.000 1.117 132 I CA 0.427 61.662 61.300 -0.109 0.000 1.404 132 I CB -0.272 37.626 38.000 -0.171 0.000 1.071 132 I HN 0.174 nan 8.210 nan 0.000 0.419 133 L N 1.211 122.389 121.223 -0.075 0.000 2.017 133 L HA -0.229 4.112 4.340 0.002 0.000 0.208 133 L C 2.477 179.323 176.870 -0.040 0.000 1.073 133 L CA 1.972 56.778 54.840 -0.057 0.000 0.745 133 L CB -0.947 41.085 42.059 -0.045 0.000 0.894 133 L HN 0.304 nan 8.230 nan 0.000 0.432 134 E N -0.552 119.630 120.200 -0.030 0.000 2.028 134 E HA -0.228 4.123 4.350 0.002 0.000 0.191 134 E C 1.977 178.566 176.600 -0.018 0.000 0.988 134 E CA 1.191 57.580 56.400 -0.017 0.000 0.799 134 E CB 0.012 29.707 29.700 -0.007 0.000 0.755 134 E HN 0.438 nan 8.360 nan 0.000 0.447 135 K N -0.043 120.344 120.400 -0.022 0.000 2.057 135 K HA -0.080 4.241 4.320 0.002 0.000 0.206 135 K C 1.756 178.338 176.600 -0.030 0.000 1.050 135 K CA 1.061 57.336 56.287 -0.020 0.000 0.935 135 K CB 0.096 32.586 32.500 -0.016 0.000 0.715 135 K HN 0.202 nan 8.250 nan 0.000 0.439 136 E N -0.030 120.140 120.200 -0.049 0.000 2.572 136 E HA 0.066 4.417 4.350 0.002 0.000 0.220 136 E C -0.512 176.054 176.600 -0.055 0.000 0.945 136 E CA -0.036 56.331 56.400 -0.055 0.000 1.070 136 E CB 0.769 30.419 29.700 -0.084 0.000 1.090 136 E HN 0.155 nan 8.360 nan 0.000 0.506 137 K N 1.114 121.482 120.400 -0.053 0.000 3.150 137 K HA -0.162 4.159 4.320 0.002 0.000 0.267 137 K C -0.319 176.246 176.600 -0.058 0.000 1.028 137 K CA 0.540 56.801 56.287 -0.044 0.000 0.753 137 K CB -1.219 31.265 32.500 -0.026 0.000 1.288 137 K HN 0.087 nan 8.250 nan 0.000 0.473 138 I N 1.477 121.995 120.570 -0.087 0.000 2.447 138 I HA 0.112 4.283 4.170 0.002 0.000 0.287 138 I C 1.028 177.081 176.117 -0.108 0.000 1.023 138 I CA -0.331 60.902 61.300 -0.111 0.000 1.083 138 I CB 1.759 39.663 38.000 -0.161 0.000 1.245 138 I HN 0.219 nan 8.210 nan 0.000 0.434 139 T N 4.536 119.040 114.554 -0.083 0.000 2.909 139 T HA 0.744 5.095 4.350 0.002 0.000 0.289 139 T C -0.082 174.596 174.700 -0.037 0.000 1.005 139 T CA -0.506 61.562 62.100 -0.055 0.000 1.084 139 T CB 1.746 70.602 68.868 -0.021 0.000 0.975 139 T HN 0.513 nan 8.240 nan 0.000 0.509 140 V N -0.604 119.297 119.914 -0.022 0.000 3.114 140 V HA 0.836 4.957 4.120 0.002 0.000 0.308 140 V C -0.507 175.576 176.094 -0.018 0.000 1.168 140 V CA -0.907 61.406 62.300 0.021 0.000 1.015 140 V CB 1.803 33.665 31.823 0.064 0.000 1.050 140 V HN 1.045 nan 8.190 nan 0.000 0.433 141 T N 2.059 116.597 114.554 -0.026 0.000 2.859 141 T HA 0.733 5.083 4.350 0.002 0.000 0.281 141 T C -0.535 174.123 174.700 -0.070 0.000 1.005 141 T CA -0.396 61.686 62.100 -0.031 0.000 1.025 141 T CB 1.598 70.473 68.868 0.012 0.000 0.977 141 T HN 0.788 nan 8.240 nan 0.000 0.458 142 V N 1.921 121.804 119.914 -0.053 0.000 2.555 142 V HA 0.802 4.923 4.120 0.002 0.000 0.302 142 V C 0.491 176.604 176.094 0.031 0.000 1.038 142 V CA -0.657 61.611 62.300 -0.053 0.000 0.887 142 V CB 1.923 33.691 31.823 -0.090 0.000 0.991 142 V HN 1.051 nan 8.190 nan 0.000 0.434 143 G N 4.120 112.987 108.800 0.113 0.000 2.513 143 G HA2 0.798 4.759 3.960 0.002 0.000 0.317 143 G HA3 0.798 4.759 3.960 0.002 0.000 0.317 143 G C -1.316 173.681 174.900 0.162 0.000 1.277 143 G CA -0.471 44.726 45.100 0.161 0.000 0.955 143 G HN 0.577 nan 8.290 nan 0.000 0.484 144 I N 1.227 121.868 120.570 0.119 0.000 2.534 144 I HA 0.598 4.769 4.170 0.002 0.000 0.288 144 I C -0.024 176.128 176.117 0.058 0.000 1.077 144 I CA -0.346 61.031 61.300 0.129 0.000 1.051 144 I CB 2.320 40.390 38.000 0.116 0.000 1.234 144 I HN 0.575 nan 8.210 nan 0.000 0.425 145 S N 3.122 118.940 115.700 0.196 0.000 2.724 145 S HA 0.334 4.805 4.470 0.002 0.000 0.278 145 S C 0.277 175.147 174.600 0.451 0.000 1.190 145 S CA -0.663 57.666 58.200 0.215 0.000 0.860 145 S CB 1.300 64.634 63.200 0.223 0.000 1.206 145 S HN 0.716 nan 8.310 nan 0.000 0.507 146 K N 0.698 121.357 120.400 0.430 0.000 2.366 146 K HA 0.113 4.434 4.320 0.002 0.000 0.198 146 K C 0.460 177.188 176.600 0.213 0.000 1.044 146 K CA 0.614 57.130 56.287 0.380 0.000 0.973 146 K CB -0.520 31.809 32.500 -0.286 0.000 0.767 146 K HN 0.595 nan 8.250 nan 0.000 0.475 147 N N -0.526 118.347 118.700 0.289 0.000 2.610 147 N HA 0.142 4.883 4.740 0.002 0.000 0.264 147 N C -0.433 175.258 175.510 0.302 0.000 1.348 147 N CA -0.919 52.304 53.050 0.289 0.000 0.819 147 N CB 1.506 40.228 38.487 0.391 0.000 1.521 147 N HN -0.276 nan 8.380 nan 0.000 0.497 148 K N 0.089 120.636 120.400 0.245 0.000 2.034 148 K HA -0.138 4.183 4.320 0.002 0.000 0.214 148 K C 1.810 178.485 176.600 0.125 0.000 1.051 148 K CA 1.939 58.311 56.287 0.142 0.000 0.931 148 K CB -0.330 31.985 32.500 -0.309 0.000 0.715 148 K HN 0.330 nan 8.250 nan 0.000 0.446 149 V N 0.738 120.636 119.914 -0.025 0.000 2.287 149 V HA -0.250 3.871 4.120 0.002 0.000 0.248 149 V C 2.012 177.890 176.094 -0.360 0.000 1.053 149 V CA 1.869 63.975 62.300 -0.323 0.000 1.027 149 V CB -0.544 30.835 31.823 -0.739 0.000 0.646 149 V HN 0.214 nan 8.190 nan 0.000 0.447 150 F N 0.134 120.073 119.950 -0.018 0.000 2.325 150 F HA 0.042 4.570 4.527 0.001 0.000 0.299 150 F C 2.342 178.148 175.800 0.009 0.000 1.090 150 F CA 0.874 58.865 58.000 -0.016 0.000 1.392 150 F CB -0.496 38.504 39.000 -0.001 0.000 1.053 150 F HN 0.078 nan 8.300 nan 0.000 0.521 151 A N 0.205 123.142 122.820 0.196 0.000 1.873 151 A HA -0.232 4.089 4.320 0.002 0.000 0.215 151 A C 2.113 179.707 177.584 0.017 0.000 1.186 151 A CA 1.903 54.049 52.037 0.181 0.000 0.616 151 A CB -0.592 18.590 19.000 0.303 0.000 0.823 151 A HN 0.241 nan 8.150 nan 0.000 0.442 152 K N 0.343 120.606 120.400 -0.228 0.000 2.009 152 K HA -0.074 4.247 4.320 0.002 0.000 0.210 152 K C 1.623 178.088 176.600 -0.225 0.000 1.049 152 K CA 1.911 57.839 56.287 -0.599 0.000 0.929 152 K CB -0.629 31.524 32.500 -0.579 0.000 0.714 152 K HN 0.475 nan 8.250 nan 0.000 0.440 153 I N 0.649 121.136 120.570 -0.139 0.000 2.264 153 I HA -0.306 3.865 4.170 0.002 0.000 0.248 153 I C 2.318 178.450 176.117 0.025 0.000 1.111 153 I CA 1.264 62.532 61.300 -0.054 0.000 1.382 153 I CB -0.486 37.492 38.000 -0.037 0.000 1.060 153 I HN 0.315 nan 8.210 nan 0.000 0.418 154 A N 0.797 123.656 122.820 0.064 0.000 1.908 154 A HA -0.214 4.107 4.320 0.002 0.000 0.218 154 A C 2.552 180.186 177.584 0.083 0.000 1.181 154 A CA 2.084 54.170 52.037 0.081 0.000 0.627 154 A CB -0.857 18.200 19.000 0.095 0.000 0.818 154 A HN 0.449 nan 8.150 nan 0.000 0.445 155 A N -0.287 122.603 122.820 0.116 0.000 1.898 155 A HA -0.157 4.164 4.320 0.002 0.000 0.216 155 A C 1.782 179.428 177.584 0.103 0.000 1.181 155 A CA 1.741 53.865 52.037 0.146 0.000 0.620 155 A CB -0.580 18.612 19.000 0.320 0.000 0.819 155 A HN 0.457 nan 8.150 nan 0.000 0.442 156 D N -0.346 120.098 120.400 0.073 0.000 2.149 156 D HA -0.153 4.488 4.640 0.002 0.000 0.198 156 D C 1.892 178.223 176.300 0.052 0.000 0.990 156 D CA 1.363 55.395 54.000 0.054 0.000 0.839 156 D CB -0.269 40.541 40.800 0.017 0.000 0.948 156 D HN 0.496 nan 8.370 nan 0.000 0.460 157 M N -0.245 119.383 119.600 0.047 0.000 2.419 157 M HA 0.007 4.488 4.480 0.002 0.000 0.264 157 M C 1.910 178.235 176.300 0.041 0.000 1.082 157 M CA 0.689 56.013 55.300 0.041 0.000 1.119 157 M CB 0.272 32.895 32.600 0.038 0.000 1.398 157 M HN -0.062 nan 8.290 nan 0.000 0.453 158 A N 0.462 123.310 122.820 0.047 0.000 2.220 158 A HA 0.039 4.360 4.320 0.002 0.000 0.211 158 A C 0.970 178.570 177.584 0.028 0.000 1.176 158 A CA -0.175 51.885 52.037 0.037 0.000 0.834 158 A CB -0.216 18.809 19.000 0.040 0.000 0.868 158 A HN 0.425 nan 8.150 nan 0.000 0.488 159 K N 1.728 122.157 120.400 0.048 0.000 2.489 159 K HA 0.202 4.523 4.320 0.002 0.000 0.278 159 K C -2.493 174.112 176.600 0.007 0.000 1.000 159 K CA -0.648 55.672 56.287 0.056 0.000 1.012 159 K CB 0.423 32.997 32.500 0.124 0.000 0.903 159 K HN 0.173 nan 8.250 nan 0.000 0.485 160 P HA 0.177 nan 4.420 nan 0.000 0.292 160 P C -0.948 176.299 177.300 -0.088 0.000 1.304 160 P CA -0.616 62.421 63.100 -0.105 0.000 0.848 160 P CB 0.683 32.167 31.700 -0.359 0.000 1.260 161 N N -1.763 116.914 118.700 -0.038 0.000 2.696 161 N HA -0.140 4.601 4.740 0.002 0.000 0.249 161 N C 0.101 175.590 175.510 -0.036 0.000 1.090 161 N CA 1.316 54.346 53.050 -0.033 0.000 0.716 161 N CB -1.386 37.077 38.487 -0.040 0.000 1.020 161 N HN 0.751 nan 8.380 nan 0.000 0.548 162 G N -0.418 108.366 108.800 -0.027 0.000 2.820 162 G HA2 0.758 4.719 3.960 0.002 0.000 0.291 162 G HA3 0.758 4.719 3.960 0.002 0.000 0.291 162 G C -0.666 174.215 174.900 -0.031 0.000 1.323 162 G CA -0.447 44.641 45.100 -0.020 0.000 1.055 162 G HN 0.385 nan 8.290 nan 0.000 0.520 163 I N -0.729 119.826 120.570 -0.025 0.000 2.692 163 I HA 0.695 4.866 4.170 0.002 0.000 0.293 163 I C -1.436 174.701 176.117 0.034 0.000 1.200 163 I CA -0.891 60.374 61.300 -0.059 0.000 1.036 163 I CB 2.160 40.028 38.000 -0.221 0.000 1.258 163 I HN 0.565 nan 8.210 nan 0.000 0.421 164 K N 5.908 126.344 120.400 0.061 0.000 2.527 164 K HA 0.718 5.039 4.320 0.002 0.000 0.260 164 K C -2.219 174.439 176.600 0.097 0.000 0.937 164 K CA -0.604 55.752 56.287 0.116 0.000 0.826 164 K CB 2.606 35.152 32.500 0.076 0.000 1.359 164 K HN 0.423 nan 8.250 nan 0.000 0.434 165 V N 4.233 124.191 119.914 0.074 0.000 2.680 165 V HA 0.527 4.648 4.120 0.002 0.000 0.309 165 V C -0.504 175.512 176.094 -0.130 0.000 1.052 165 V CA -0.769 61.488 62.300 -0.072 0.000 0.908 165 V CB 1.785 33.542 31.823 -0.110 0.000 1.001 165 V HN 0.670 nan 8.190 nan 0.000 0.431 166 I N 3.798 124.245 120.570 -0.204 0.000 2.537 166 I HA 0.261 4.432 4.170 0.002 0.000 0.276 166 I C -0.482 175.499 176.117 -0.227 0.000 1.063 166 I CA -0.615 60.594 61.300 -0.151 0.000 1.144 166 I CB 1.398 39.366 38.000 -0.052 0.000 1.252 166 I HN 0.809 nan 8.210 nan 0.000 0.480 167 D N 2.821 123.101 120.400 -0.199 0.000 2.382 167 D HA 0.004 4.645 4.640 0.002 0.000 0.240 167 D C 0.748 177.044 176.300 -0.006 0.000 1.146 167 D CA -0.275 53.700 54.000 -0.041 0.000 0.897 167 D CB 0.889 41.720 40.800 0.052 0.000 1.197 167 D HN 0.310 nan 8.370 nan 0.000 0.432 168 D N 0.892 121.356 120.400 0.106 0.000 2.220 168 D HA -0.222 4.419 4.640 0.002 0.000 0.198 168 D C 1.505 177.778 176.300 -0.045 0.000 1.001 168 D CA 1.287 55.295 54.000 0.014 0.000 0.875 168 D CB -0.097 40.772 40.800 0.115 0.000 0.921 168 D HN 0.504 nan 8.370 nan 0.000 0.454 169 E N 0.617 120.808 120.200 -0.014 0.000 2.047 169 E HA -0.172 4.179 4.350 0.002 0.000 0.191 169 E C 2.046 178.608 176.600 -0.064 0.000 0.987 169 E CA 0.722 57.103 56.400 -0.031 0.000 0.799 169 E CB -0.413 29.279 29.700 -0.013 0.000 0.752 169 E HN 0.530 nan 8.360 nan 0.000 0.449 170 E N 0.789 120.944 120.200 -0.076 0.000 2.208 170 E HA -0.098 4.253 4.350 0.002 0.000 0.193 170 E C 2.074 178.580 176.600 -0.157 0.000 0.988 170 E CA 0.455 56.800 56.400 -0.093 0.000 0.828 170 E CB 0.243 29.894 29.700 -0.081 0.000 0.763 170 E HN -0.038 nan 8.360 nan 0.000 0.478 171 V N 1.268 121.030 119.914 -0.253 0.000 2.332 171 V HA -0.283 3.838 4.120 0.002 0.000 0.248 171 V C 2.037 177.941 176.094 -0.317 0.000 1.055 171 V CA 2.057 64.062 62.300 -0.493 0.000 1.038 171 V CB -0.329 31.113 31.823 -0.634 0.000 0.651 171 V HN 0.228 nan 8.190 nan 0.000 0.450 172 K N -0.503 119.785 120.400 -0.187 0.000 2.362 172 K HA -0.146 4.175 4.320 0.002 0.000 0.200 172 K C 2.276 178.833 176.600 -0.071 0.000 1.046 172 K CA 1.005 57.226 56.287 -0.109 0.000 0.952 172 K CB -0.155 32.300 32.500 -0.075 0.000 0.753 172 K HN 0.394 nan 8.250 nan 0.000 0.466 173 R N 0.912 121.369 120.500 -0.072 0.000 2.066 173 R HA 0.025 4.366 4.340 0.002 0.000 0.224 173 R C 1.996 178.283 176.300 -0.023 0.000 1.122 173 R CA 0.661 56.737 56.100 -0.040 0.000 0.974 173 R CB -0.141 30.138 30.300 -0.035 0.000 0.871 173 R HN 0.077 nan 8.270 nan 0.000 0.435 174 L N 1.006 122.213 121.223 -0.026 0.000 2.043 174 L HA -0.194 4.147 4.340 0.002 0.000 0.212 174 L C 2.363 179.269 176.870 0.060 0.000 1.075 174 L CA 1.361 56.222 54.840 0.035 0.000 0.752 174 L CB -0.401 41.717 42.059 0.099 0.000 0.891 174 L HN 0.291 nan 8.230 nan 0.000 0.432 175 I N -0.734 119.861 120.570 0.043 0.000 2.953 175 I HA -0.262 3.909 4.170 0.002 0.000 0.271 175 I C 2.554 178.685 176.117 0.023 0.000 1.286 175 I CA 1.021 62.354 61.300 0.055 0.000 1.449 175 I CB -0.256 37.761 38.000 0.029 0.000 1.086 175 I HN 0.286 nan 8.210 nan 0.000 0.483 176 R N -0.304 120.204 120.500 0.012 0.000 2.350 176 R HA 0.027 4.368 4.340 0.002 0.000 0.199 176 R C 1.888 178.191 176.300 0.006 0.000 0.876 176 R CA 0.226 56.329 56.100 0.004 0.000 1.062 176 R CB 0.428 30.726 30.300 -0.003 0.000 1.263 176 R HN 0.009 nan 8.270 nan 0.000 0.641 177 E N 0.242 120.447 120.200 0.009 0.000 2.307 177 E HA 0.055 4.406 4.350 0.002 0.000 0.195 177 E C -0.388 176.219 176.600 0.013 0.000 0.975 177 E CA 0.039 56.444 56.400 0.008 0.000 0.878 177 E CB 0.287 29.990 29.700 0.005 0.000 0.845 177 E HN -0.011 nan 8.360 nan 0.000 0.488 178 L N 2.247 123.484 121.223 0.024 0.000 2.477 178 L HA 0.106 4.447 4.340 0.002 0.000 0.272 178 L C -0.346 176.528 176.870 0.008 0.000 1.157 178 L CA 0.030 54.884 54.840 0.023 0.000 0.889 178 L CB 0.479 42.567 42.059 0.048 0.000 1.158 178 L HN -0.040 nan 8.230 nan 0.000 0.473 179 D N 3.929 124.330 120.400 0.001 0.000 2.450 179 D HA -0.124 4.517 4.640 0.002 0.000 0.247 179 D C 1.311 177.603 176.300 -0.014 0.000 1.162 179 D CA 0.111 54.108 54.000 -0.006 0.000 0.879 179 D CB 0.600 41.396 40.800 -0.006 0.000 1.163 179 D HN 0.605 nan 8.370 nan 0.000 0.472 180 I N 4.786 125.347 120.570 -0.016 0.000 2.236 180 I HA -0.302 3.869 4.170 0.002 0.000 0.249 180 I C 2.094 178.196 176.117 -0.025 0.000 1.102 180 I CA 2.078 63.364 61.300 -0.024 0.000 1.365 180 I CB -0.401 37.589 38.000 -0.018 0.000 1.051 180 I HN 0.582 nan 8.210 nan 0.000 0.420 181 A N -0.540 122.268 122.820 -0.019 0.000 1.978 181 A HA -0.230 4.091 4.320 0.002 0.000 0.220 181 A C 1.870 179.439 177.584 -0.025 0.000 1.170 181 A CA 2.061 54.087 52.037 -0.019 0.000 0.636 181 A CB -0.769 18.222 19.000 -0.016 0.000 0.810 181 A HN 0.517 nan 8.150 nan 0.000 0.448 182 D N -0.378 120.005 120.400 -0.028 0.000 2.349 182 D HA 0.116 4.757 4.640 0.002 0.000 0.224 182 D C 0.113 176.378 176.300 -0.059 0.000 1.029 182 D CA 0.172 54.151 54.000 -0.035 0.000 0.879 182 D CB 0.001 40.786 40.800 -0.025 0.000 0.906 182 D HN 0.174 nan 8.370 nan 0.000 0.528 183 V N 2.446 122.321 119.914 -0.066 0.000 2.555 183 V HA 0.106 4.227 4.120 0.002 0.000 0.286 183 V C -1.952 174.104 176.094 -0.065 0.000 1.044 183 V CA -1.383 60.855 62.300 -0.103 0.000 1.026 183 V CB 1.050 32.810 31.823 -0.105 0.000 0.981 183 V HN -0.106 nan 8.190 nan 0.000 0.480 184 P HA 0.221 nan 4.420 nan 0.000 0.266 184 P C 0.865 178.152 177.300 -0.021 0.000 1.195 184 P CA 1.309 64.369 63.100 -0.066 0.000 0.768 184 P CB 0.617 32.253 31.700 -0.105 0.000 0.838 185 G N 2.451 111.214 108.800 -0.062 0.000 2.157 185 G HA2 -0.181 3.780 3.960 0.002 0.000 0.248 185 G HA3 -0.181 3.780 3.960 0.002 0.000 0.248 185 G C 0.003 174.870 174.900 -0.054 0.000 0.979 185 G CA -0.508 44.529 45.100 -0.104 0.000 0.650 185 G HN 0.472 nan 8.290 nan 0.000 0.529 186 I N 2.178 122.736 120.570 -0.019 0.000 2.428 186 I HA 0.486 4.657 4.170 0.002 0.000 0.279 186 I C 1.167 177.271 176.117 -0.022 0.000 1.040 186 I CA -0.247 61.048 61.300 -0.009 0.000 1.171 186 I CB 0.310 38.314 38.000 0.008 0.000 1.312 186 I HN 0.143 nan 8.210 nan 0.000 0.470 187 G N 4.588 113.372 108.800 -0.027 0.000 2.525 187 G HA2 0.181 4.142 3.960 0.002 0.000 0.287 187 G HA3 0.181 4.142 3.960 0.002 0.000 0.287 187 G C 0.899 175.786 174.900 -0.022 0.000 1.350 187 G CA -0.398 44.686 45.100 -0.027 0.000 1.039 187 G HN 0.538 nan 8.290 nan 0.000 0.513 188 N N -0.426 118.262 118.700 -0.021 0.000 2.069 188 N HA -0.155 4.586 4.740 0.002 0.000 0.191 188 N C 2.185 177.685 175.510 -0.018 0.000 1.031 188 N CA 1.030 54.069 53.050 -0.018 0.000 0.852 188 N CB -0.151 38.325 38.487 -0.017 0.000 1.018 188 N HN 0.268 nan 8.380 nan 0.000 0.423 189 I N 1.640 122.198 120.570 -0.020 0.000 2.163 189 I HA -0.195 3.976 4.170 0.002 0.000 0.243 189 I C 2.107 178.212 176.117 -0.019 0.000 1.085 189 I CA 1.397 62.686 61.300 -0.020 0.000 1.347 189 I CB -1.522 36.465 38.000 -0.022 0.000 1.044 189 I HN 0.138 nan 8.210 nan 0.000 0.408 190 T N 1.071 115.613 114.554 -0.019 0.000 2.857 190 T HA 0.006 4.357 4.350 0.002 0.000 0.266 190 T C 2.064 176.756 174.700 -0.013 0.000 1.048 190 T CA 1.182 63.272 62.100 -0.016 0.000 1.139 190 T CB -0.234 68.626 68.868 -0.013 0.000 0.874 190 T HN 0.424 nan 8.240 nan 0.000 0.455 191 A N 1.776 124.588 122.820 -0.013 0.000 1.908 191 A HA -0.151 4.170 4.320 0.002 0.000 0.218 191 A C 2.316 179.893 177.584 -0.013 0.000 1.181 191 A CA 1.349 53.379 52.037 -0.012 0.000 0.627 191 A CB -0.362 18.630 19.000 -0.014 0.000 0.818 191 A HN 0.272 nan 8.150 nan 0.000 0.445 192 E N -0.052 120.140 120.200 -0.014 0.000 2.158 192 E HA -0.080 4.271 4.350 0.002 0.000 0.191 192 E C 1.948 178.539 176.600 -0.014 0.000 0.982 192 E CA 0.948 57.340 56.400 -0.013 0.000 0.823 192 E CB -0.221 29.471 29.700 -0.013 0.000 0.766 192 E HN 0.677 nan 8.360 nan 0.000 0.468 193 K N 0.395 120.786 120.400 -0.016 0.000 2.097 193 K HA -0.008 4.313 4.320 0.002 0.000 0.205 193 K C 2.271 178.861 176.600 -0.017 0.000 1.050 193 K CA 0.670 56.946 56.287 -0.018 0.000 0.938 193 K CB -0.075 32.412 32.500 -0.021 0.000 0.718 193 K HN 0.082 nan 8.250 nan 0.000 0.442 194 L N 0.776 121.991 121.223 -0.015 0.000 2.141 194 L HA -0.177 4.164 4.340 0.002 0.000 0.209 194 L C 2.330 179.193 176.870 -0.012 0.000 1.094 194 L CA 1.159 55.992 54.840 -0.013 0.000 0.763 194 L CB -0.268 41.785 42.059 -0.010 0.000 0.908 194 L HN 0.101 nan 8.230 nan 0.000 0.437 195 K N 0.489 120.883 120.400 -0.011 0.000 2.001 195 K HA -0.138 4.183 4.320 0.002 0.000 0.208 195 K C 2.077 178.671 176.600 -0.010 0.000 1.048 195 K CA 1.238 57.519 56.287 -0.010 0.000 0.932 195 K CB 0.035 32.530 32.500 -0.009 0.000 0.715 195 K HN 0.103 nan 8.250 nan 0.000 0.437 196 K N 0.309 120.702 120.400 -0.012 0.000 2.218 196 K HA -0.141 4.180 4.320 0.002 0.000 0.205 196 K C 1.363 177.956 176.600 -0.013 0.000 1.046 196 K CA 1.012 57.291 56.287 -0.012 0.000 0.933 196 K CB -0.066 32.426 32.500 -0.014 0.000 0.728 196 K HN 0.182 nan 8.250 nan 0.000 0.454 197 L N -0.216 120.999 121.223 -0.014 0.000 2.653 197 L HA 0.124 4.465 4.340 0.002 0.000 0.231 197 L C 0.978 177.842 176.870 -0.010 0.000 1.153 197 L CA 0.085 54.916 54.840 -0.014 0.000 0.933 197 L CB 0.169 42.217 42.059 -0.018 0.000 1.175 197 L HN 0.402 nan 8.230 nan 0.000 0.473 198 G N 0.964 109.759 108.800 -0.008 0.000 2.162 198 G HA2 -0.297 3.664 3.960 0.002 0.000 0.260 198 G HA3 -0.297 3.664 3.960 0.002 0.000 0.260 198 G C 0.288 175.185 174.900 -0.005 0.000 0.976 198 G CA -0.090 45.006 45.100 -0.006 0.000 0.655 198 G HN 0.343 nan 8.290 nan 0.000 0.533 199 I N 1.489 122.056 120.570 -0.006 0.000 2.291 199 I HA 0.239 4.410 4.170 0.002 0.000 0.292 199 I C 0.749 176.862 176.117 -0.006 0.000 1.064 199 I CA -0.494 60.803 61.300 -0.005 0.000 1.269 199 I CB 0.615 38.611 38.000 -0.005 0.000 1.418 199 I HN 0.070 nan 8.210 nan 0.000 0.485 200 N N 5.049 123.746 118.700 -0.005 0.000 2.227 200 N HA 0.136 4.877 4.740 0.002 0.000 0.196 200 N C 0.008 175.514 175.510 -0.006 0.000 1.142 200 N CA 0.046 53.092 53.050 -0.006 0.000 0.887 200 N CB 1.013 39.497 38.487 -0.005 0.000 1.022 200 N HN 0.461 nan 8.380 nan 0.000 0.500 201 K N 0.841 121.238 120.400 -0.005 0.000 2.426 201 K HA 0.332 4.653 4.320 0.002 0.000 0.251 201 K C 1.081 177.677 176.600 -0.006 0.000 0.941 201 K CA -0.606 55.679 56.287 -0.004 0.000 0.808 201 K CB 2.434 34.934 32.500 0.000 0.000 1.265 201 K HN -0.163 nan 8.250 nan 0.000 0.432 202 L N 1.154 122.372 121.223 -0.009 0.000 2.010 202 L HA -0.302 4.039 4.340 0.002 0.000 0.219 202 L C 2.286 179.152 176.870 -0.006 0.000 1.077 202 L CA 1.657 56.487 54.840 -0.016 0.000 0.773 202 L CB -0.349 41.703 42.059 -0.012 0.000 0.892 202 L HN 0.484 nan 8.230 nan 0.000 0.436 203 V N 0.372 120.288 119.914 0.002 0.000 2.278 203 V HA -0.390 3.731 4.120 0.002 0.000 0.251 203 V C 2.054 178.150 176.094 0.005 0.000 1.062 203 V CA 2.529 64.832 62.300 0.004 0.000 1.038 203 V CB -0.478 31.347 31.823 0.004 0.000 0.646 203 V HN 0.563 nan 8.190 nan 0.000 0.447 204 D N 0.156 120.557 120.400 0.003 0.000 2.220 204 D HA -0.204 4.437 4.640 0.002 0.000 0.198 204 D C 2.128 178.433 176.300 0.009 0.000 1.001 204 D CA 2.023 56.026 54.000 0.004 0.000 0.875 204 D CB -0.759 40.041 40.800 0.001 0.000 0.921 204 D HN 0.750 nan 8.370 nan 0.000 0.454 205 T N -1.706 112.854 114.554 0.010 0.000 3.139 205 T HA -0.063 4.288 4.350 0.002 0.000 0.267 205 T C 1.834 176.555 174.700 0.035 0.000 1.164 205 T CA 0.443 62.555 62.100 0.021 0.000 1.075 205 T CB -0.413 68.466 68.868 0.019 0.000 0.904 205 T HN 0.219 nan 8.240 nan 0.000 0.540 206 L N 0.931 122.170 121.223 0.026 0.000 2.513 206 L HA 0.198 4.539 4.340 0.002 0.000 0.222 206 L C 2.780 179.668 176.870 0.029 0.000 1.096 206 L CA 0.641 55.499 54.840 0.030 0.000 0.857 206 L CB -0.198 41.872 42.059 0.019 0.000 1.026 206 L HN 0.385 nan 8.230 nan 0.000 0.469 207 S N -0.698 115.015 115.700 0.022 0.000 2.501 207 S HA 0.145 4.616 4.470 0.002 0.000 0.220 207 S C 0.958 175.571 174.600 0.022 0.000 0.997 207 S CA -0.143 58.068 58.200 0.019 0.000 0.919 207 S CB -0.003 63.204 63.200 0.012 0.000 0.778 207 S HN 0.038 nan 8.310 nan 0.000 0.523 208 I N 2.885 123.470 120.570 0.026 0.000 2.532 208 I HA 0.351 4.522 4.170 0.002 0.000 0.292 208 I C 0.440 176.583 176.117 0.044 0.000 1.014 208 I CA -0.597 60.718 61.300 0.024 0.000 1.340 208 I CB 0.559 38.566 38.000 0.012 0.000 1.422 208 I HN 0.216 nan 8.210 nan 0.000 0.528 209 E N 3.705 123.926 120.200 0.035 0.000 2.384 209 E HA -0.077 4.274 4.350 0.002 0.000 0.266 209 E C 0.628 177.275 176.600 0.079 0.000 1.012 209 E CA 0.010 56.446 56.400 0.061 0.000 0.901 209 E CB 0.625 30.346 29.700 0.035 0.000 0.967 209 E HN 0.466 nan 8.360 nan 0.000 0.435 210 F N 4.086 124.038 119.950 0.003 0.000 2.025 210 F HA -0.273 4.254 4.527 -0.001 0.000 0.297 210 F C 1.438 177.241 175.800 0.005 0.000 1.132 210 F CA 2.216 60.219 58.000 0.005 0.000 1.191 210 F CB -0.151 38.853 39.000 0.006 0.000 0.963 210 F HN 0.443 nan 8.300 nan 0.000 0.481 211 D N -0.017 120.284 120.400 -0.164 0.000 2.271 211 D HA -0.213 4.428 4.640 0.002 0.000 0.207 211 D C 2.192 178.344 176.300 -0.246 0.000 0.983 211 D CA 1.357 55.197 54.000 -0.266 0.000 0.878 211 D CB -0.228 40.556 40.800 -0.027 0.000 0.920 211 D HN 0.359 nan 8.370 nan 0.000 0.479 212 K N -0.103 120.197 120.400 -0.166 0.000 2.076 212 K HA -0.019 4.302 4.320 0.002 0.000 0.204 212 K C 2.059 178.562 176.600 -0.162 0.000 1.051 212 K CA 0.285 56.498 56.287 -0.122 0.000 0.949 212 K CB -0.047 32.414 32.500 -0.065 0.000 0.726 212 K HN 0.131 nan 8.250 nan 0.000 0.443 213 L N 1.531 122.632 121.223 -0.204 0.000 1.956 213 L HA -0.281 4.060 4.340 0.002 0.000 0.216 213 L C 2.696 179.415 176.870 -0.252 0.000 1.073 213 L CA 1.909 56.634 54.840 -0.192 0.000 0.762 213 L CB -0.535 41.416 42.059 -0.180 0.000 0.889 213 L HN 0.296 nan 8.230 nan 0.000 0.433 214 K N -0.308 119.809 120.400 -0.472 0.000 2.089 214 K HA -0.220 4.101 4.320 0.002 0.000 0.210 214 K C 1.824 178.297 176.600 -0.211 0.000 1.048 214 K CA 1.808 57.859 56.287 -0.394 0.000 0.926 214 K CB -0.409 31.733 32.500 -0.596 0.000 0.714 214 K HN 0.443 nan 8.250 nan 0.000 0.448 215 G N 0.665 109.350 108.800 -0.192 0.000 2.408 215 G HA2 -0.198 3.763 3.960 0.002 0.000 0.217 215 G HA3 -0.198 3.763 3.960 0.002 0.000 0.217 215 G C 1.444 176.292 174.900 -0.087 0.000 1.150 215 G CA 0.503 45.534 45.100 -0.114 0.000 0.776 215 G HN 0.201 nan 8.290 nan 0.000 0.542 216 M N 0.265 119.810 119.600 -0.092 0.000 2.287 216 M HA 0.261 4.742 4.480 0.002 0.000 0.266 216 M C 2.111 178.378 176.300 -0.055 0.000 1.079 216 M CA 0.908 56.169 55.300 -0.064 0.000 1.146 216 M CB -0.036 32.529 32.600 -0.058 0.000 1.374 216 M HN 0.485 nan 8.290 nan 0.000 0.435 217 I N -3.271 117.262 120.570 -0.063 0.000 3.994 217 I HA 0.506 4.677 4.170 0.002 0.000 0.323 217 I C 0.285 176.377 176.117 -0.041 0.000 1.501 217 I CA -0.256 61.017 61.300 -0.044 0.000 1.112 217 I CB 0.165 38.148 38.000 -0.028 0.000 1.254 217 I HN 0.250 nan 8.210 nan 0.000 0.495 218 G N 2.278 111.044 108.800 -0.057 0.000 2.705 218 G HA2 -0.233 3.728 3.960 0.002 0.000 0.686 218 G HA3 -0.233 3.728 3.960 0.002 0.000 0.686 218 G C 0.084 174.963 174.900 -0.036 0.000 1.285 218 G CA 0.206 45.281 45.100 -0.042 0.000 0.800 218 G HN 0.570 nan 8.290 nan 0.000 0.611 219 E N 0.664 120.860 120.200 -0.007 0.000 2.072 219 E HA 0.055 4.406 4.350 0.002 0.000 0.190 219 E C 2.747 179.422 176.600 0.124 0.000 0.982 219 E CA 1.680 58.121 56.400 0.068 0.000 0.803 219 E CB -0.208 29.560 29.700 0.113 0.000 0.755 219 E HN 1.128 nan 8.360 nan 0.000 0.453 220 A N 1.391 124.256 122.820 0.074 0.000 1.883 220 A HA -0.223 4.098 4.320 0.002 0.000 0.217 220 A C 2.150 179.791 177.584 0.096 0.000 1.186 220 A CA 2.004 54.084 52.037 0.072 0.000 0.624 220 A CB -0.480 18.530 19.000 0.018 0.000 0.822 220 A HN 0.169 nan 8.150 nan 0.000 0.444 221 K N -0.170 120.269 120.400 0.065 0.000 2.155 221 K HA 0.112 4.433 4.320 0.002 0.000 0.203 221 K C 1.920 178.619 176.600 0.165 0.000 1.052 221 K CA 1.337 57.681 56.287 0.096 0.000 0.948 221 K CB -0.382 32.137 32.500 0.033 0.000 0.728 221 K HN 0.340 nan 8.250 nan 0.000 0.448 222 A N 0.927 123.825 122.820 0.130 0.000 1.872 222 A HA -0.120 4.201 4.320 0.002 0.000 0.214 222 A C 1.860 179.601 177.584 0.262 0.000 1.187 222 A CA 1.568 53.697 52.037 0.154 0.000 0.614 222 A CB -0.369 18.666 19.000 0.058 0.000 0.826 222 A HN 0.298 nan 8.150 nan 0.000 0.442 223 K N -1.621 118.960 120.400 0.302 0.000 2.097 223 K HA -0.149 4.172 4.320 0.002 0.000 0.206 223 K C 1.943 178.668 176.600 0.209 0.000 1.049 223 K CA 1.555 57.985 56.287 0.239 0.000 0.933 223 K CB -0.371 32.242 32.500 0.189 0.000 0.717 223 K HN 0.606 nan 8.250 nan 0.000 0.442 224 Y N 2.006 122.358 120.300 0.087 0.000 2.089 224 Y HA -0.225 4.326 4.550 0.003 0.000 0.282 224 Y C 1.833 177.748 175.900 0.025 0.000 1.139 224 Y CA 1.455 59.592 58.100 0.062 0.000 1.123 224 Y CB -0.501 37.967 38.460 0.013 0.000 0.980 224 Y HN -0.105 nan 8.280 nan 0.000 0.493 225 L N -0.233 120.954 121.223 -0.060 0.000 2.042 225 L HA -0.256 4.085 4.340 0.002 0.000 0.210 225 L C 2.531 179.344 176.870 -0.096 0.000 1.076 225 L CA 1.646 56.378 54.840 -0.181 0.000 0.749 225 L CB -0.632 41.409 42.059 -0.031 0.000 0.893 225 L HN 0.314 nan 8.230 nan 0.000 0.432 226 I N -0.960 119.617 120.570 0.013 0.000 2.286 226 I HA -0.277 3.894 4.170 0.002 0.000 0.248 226 I C 2.619 178.741 176.117 0.009 0.000 1.115 226 I CA 0.956 62.276 61.300 0.033 0.000 1.392 226 I CB -0.239 37.813 38.000 0.087 0.000 1.065 226 I HN 0.186 nan 8.210 nan 0.000 0.418 227 S N 1.097 116.806 115.700 0.014 0.000 2.354 227 S HA -0.179 4.292 4.470 0.002 0.000 0.219 227 S C 1.997 176.616 174.600 0.033 0.000 1.035 227 S CA 1.447 59.674 58.200 0.046 0.000 1.037 227 S CB -0.548 62.731 63.200 0.132 0.000 0.956 227 S HN 0.295 nan 8.310 nan 0.000 0.428 228 L N 1.323 122.509 121.223 -0.061 0.000 2.051 228 L HA -0.240 4.101 4.340 0.002 0.000 0.214 228 L C 2.735 179.620 176.870 0.024 0.000 1.076 228 L CA 1.395 56.204 54.840 -0.051 0.000 0.758 228 L CB -0.710 41.147 42.059 -0.337 0.000 0.890 228 L HN 0.349 nan 8.230 nan 0.000 0.433 229 A N -0.092 122.714 122.820 -0.023 0.000 1.908 229 A HA -0.189 4.132 4.320 0.002 0.000 0.218 229 A C 2.219 179.813 177.584 0.015 0.000 1.181 229 A CA 1.473 53.511 52.037 0.003 0.000 0.627 229 A CB -0.454 18.542 19.000 -0.006 0.000 0.818 229 A HN 0.378 nan 8.150 nan 0.000 0.445 230 R N -0.582 119.928 120.500 0.016 0.000 2.363 230 R HA 0.033 4.374 4.340 0.002 0.000 0.236 230 R C -0.099 176.212 176.300 0.018 0.000 0.966 230 R CA 0.437 56.545 56.100 0.013 0.000 1.100 230 R CB -0.144 30.162 30.300 0.009 0.000 1.125 230 R HN 0.453 nan 8.270 nan 0.000 0.514 231 D N 1.695 122.116 120.400 0.034 0.000 2.702 231 D HA -0.201 4.440 4.640 0.002 0.000 0.233 231 D C -0.118 176.202 176.300 0.033 0.000 1.164 231 D CA 1.125 55.145 54.000 0.034 0.000 0.638 231 D CB -0.656 40.131 40.800 -0.022 0.000 1.041 231 D HN 0.502 nan 8.370 nan 0.000 0.422 232 E N -1.104 119.132 120.200 0.060 0.000 2.601 232 E HA -0.001 4.350 4.350 0.002 0.000 0.219 232 E C 0.187 176.824 176.600 0.062 0.000 0.964 232 E CA -0.554 55.870 56.400 0.040 0.000 1.050 232 E CB 0.480 30.192 29.700 0.020 0.000 1.068 232 E HN 0.443 nan 8.360 nan 0.000 0.496 233 Y N 1.783 122.079 120.300 -0.006 0.000 2.620 233 Y HA -0.028 4.523 4.550 0.001 0.000 0.330 233 Y C -0.145 175.759 175.900 0.005 0.000 1.186 233 Y CA 0.669 58.765 58.100 -0.006 0.000 1.467 233 Y CB 0.258 38.699 38.460 -0.031 0.000 1.262 233 Y HN -0.153 nan 8.280 nan 0.000 0.550 234 N N 3.485 121.805 118.700 -0.635 0.000 2.604 234 N HA 0.054 4.795 4.740 0.002 0.000 0.284 234 N C -1.640 173.583 175.510 -0.477 0.000 1.716 234 N CA -0.309 52.481 53.050 -0.433 0.000 0.859 234 N CB 0.236 38.613 38.487 -0.183 0.000 1.403 234 N HN 0.510 nan 8.380 nan 0.000 0.501 235 E N 1.897 121.619 120.200 -0.797 0.000 2.384 235 E HA 0.121 4.472 4.350 0.002 0.000 0.266 235 E C -2.123 174.348 176.600 -0.217 0.000 1.012 235 E CA -1.177 54.979 56.400 -0.407 0.000 0.901 235 E CB 0.501 30.009 29.700 -0.320 0.000 0.967 235 E HN 0.285 nan 8.360 nan 0.000 0.435 236 P HA 0.211 nan 4.420 nan 0.000 0.277 236 P C -0.127 177.141 177.300 -0.052 0.000 1.240 236 P CA -0.610 62.451 63.100 -0.065 0.000 0.798 236 P CB 0.772 32.447 31.700 -0.042 0.000 0.979 237 I N 2.397 122.958 120.570 -0.014 0.000 2.648 237 I HA 0.206 4.377 4.170 0.002 0.000 0.284 237 I C 1.240 177.367 176.117 0.016 0.000 1.153 237 I CA 0.544 61.848 61.300 0.006 0.000 1.426 237 I CB -0.516 37.529 38.000 0.075 0.000 1.381 237 I HN 0.417 nan 8.210 nan 0.000 0.571 238 R N 2.793 123.305 120.500 0.019 0.000 2.629 238 R HA 0.379 4.720 4.340 0.002 0.000 0.266 238 R C -0.974 175.349 176.300 0.039 0.000 1.051 238 R CA -0.616 55.499 56.100 0.025 0.000 0.895 238 R CB 1.356 31.660 30.300 0.007 0.000 1.246 238 R HN 0.633 nan 8.270 nan 0.000 0.459 239 T N 3.153 117.732 114.554 0.042 0.000 2.939 239 T HA 0.134 4.485 4.350 0.002 0.000 0.319 239 T C -0.206 174.519 174.700 0.043 0.000 1.082 239 T CA 0.356 62.484 62.100 0.047 0.000 1.133 239 T CB 0.197 69.090 68.868 0.042 0.000 1.019 239 T HN 0.310 nan 8.240 nan 0.000 0.548 240 R N 1.286 121.816 120.500 0.050 0.000 2.514 240 R HA 0.546 4.887 4.340 0.002 0.000 0.296 240 R C -1.218 175.115 176.300 0.056 0.000 1.012 240 R CA -0.670 55.460 56.100 0.049 0.000 0.897 240 R CB 2.133 32.463 30.300 0.050 0.000 1.184 240 R HN 0.438 nan 8.270 nan 0.000 0.440 241 V N 3.083 123.033 119.914 0.060 0.000 2.612 241 V HA 0.400 4.521 4.120 0.002 0.000 0.301 241 V C 0.179 176.331 176.094 0.097 0.000 1.046 241 V CA -0.824 61.519 62.300 0.073 0.000 0.946 241 V CB 1.647 33.514 31.823 0.073 0.000 1.003 241 V HN 0.678 nan 8.190 nan 0.000 0.459 242 R N 3.726 124.295 120.500 0.115 0.000 2.504 242 R HA 0.080 4.421 4.340 0.002 0.000 0.291 242 R C 0.567 177.029 176.300 0.269 0.000 0.974 242 R CA 0.561 56.758 56.100 0.162 0.000 1.077 242 R CB 0.344 30.735 30.300 0.152 0.000 0.926 242 R HN 0.690 nan 8.270 nan 0.000 0.407 243 K N 0.581 121.093 120.400 0.186 0.000 2.374 243 K HA 0.142 4.463 4.320 0.002 0.000 0.202 243 K C -0.262 176.286 176.600 -0.086 0.000 1.040 243 K CA 0.049 56.374 56.287 0.063 0.000 1.085 243 K CB 1.025 33.513 32.500 -0.019 0.000 0.873 243 K HN 0.324 nan 8.250 nan 0.000 0.539 244 S N 0.428 116.216 115.700 0.148 0.000 2.543 244 S HA 0.536 5.007 4.470 0.002 0.000 0.274 244 S C -2.040 172.738 174.600 0.297 0.000 1.149 244 S CA -0.726 57.557 58.200 0.138 0.000 0.866 244 S CB 1.109 64.313 63.200 0.006 0.000 1.111 244 S HN -0.005 nan 8.310 nan 0.000 0.457 245 I N 2.431 123.212 120.570 0.351 0.000 2.607 245 I HA 0.723 4.893 4.170 0.002 0.000 0.290 245 I C 0.345 176.619 176.117 0.262 0.000 1.129 245 I CA -0.171 61.298 61.300 0.282 0.000 1.042 245 I CB 1.302 39.464 38.000 0.270 0.000 1.242 245 I HN 0.840 nan 8.210 nan 0.000 0.421 246 G N 4.531 113.441 108.800 0.183 0.000 2.623 246 G HA2 0.717 4.678 3.960 0.002 0.000 0.290 246 G HA3 0.717 4.678 3.960 0.002 0.000 0.290 246 G C -1.872 173.105 174.900 0.128 0.000 1.437 246 G CA -0.712 44.476 45.100 0.147 0.000 0.798 246 G HN 0.503 nan 8.290 nan 0.000 0.488 247 R N -0.571 119.996 120.500 0.112 0.000 2.604 247 R HA 0.772 5.113 4.340 0.002 0.000 0.281 247 R C -1.852 174.494 176.300 0.076 0.000 1.020 247 R CA -0.707 55.457 56.100 0.107 0.000 0.899 247 R CB 1.687 32.070 30.300 0.139 0.000 1.205 247 R HN 0.713 nan 8.270 nan 0.000 0.450 248 I N 5.096 125.705 120.570 0.066 0.000 2.569 248 I HA 0.633 4.804 4.170 0.002 0.000 0.290 248 I C -1.227 174.921 176.117 0.052 0.000 1.088 248 I CA -0.953 60.374 61.300 0.045 0.000 1.047 248 I CB 1.992 40.006 38.000 0.023 0.000 1.237 248 I HN 0.598 nan 8.210 nan 0.000 0.421 249 V N 2.247 122.191 119.914 0.050 0.000 2.914 249 V HA 0.663 4.784 4.120 0.002 0.000 0.314 249 V C -0.301 175.788 176.094 -0.008 0.000 1.084 249 V CA -0.418 61.920 62.300 0.063 0.000 0.963 249 V CB 1.651 33.565 31.823 0.151 0.000 1.025 249 V HN 0.692 nan 8.190 nan 0.000 0.432 250 T N 4.797 119.343 114.554 -0.013 0.000 2.806 250 T HA 0.572 4.923 4.350 0.002 0.000 0.290 250 T C -0.009 174.572 174.700 -0.198 0.000 0.966 250 T CA -0.211 61.833 62.100 -0.092 0.000 1.060 250 T CB 0.896 69.736 68.868 -0.047 0.000 0.927 250 T HN 0.705 nan 8.240 nan 0.000 0.485 251 M N 2.753 122.098 119.600 -0.424 0.000 2.255 251 M HA 0.297 4.778 4.480 0.002 0.000 0.336 251 M C 1.639 177.813 176.300 -0.211 0.000 1.135 251 M CA -0.712 54.140 55.300 -0.747 0.000 1.145 251 M CB 0.921 32.952 32.600 -0.949 0.000 1.473 251 M HN 0.470 nan 8.290 nan 0.000 0.462 252 K N 1.434 121.837 120.400 0.005 0.000 2.103 252 K HA -0.062 4.259 4.320 0.002 0.000 0.207 252 K C 0.304 176.928 176.600 0.041 0.000 1.048 252 K CA 1.410 57.746 56.287 0.082 0.000 0.930 252 K CB 0.018 32.612 32.500 0.158 0.000 0.716 252 K HN 0.620 nan 8.250 nan 0.000 0.444 253 R N 0.742 121.243 120.500 0.003 0.000 2.771 253 R HA 0.262 4.603 4.340 0.002 0.000 0.274 253 R C -0.515 175.754 176.300 -0.051 0.000 0.987 253 R CA -0.845 55.255 56.100 0.001 0.000 0.908 253 R CB 1.316 31.632 30.300 0.026 0.000 1.213 253 R HN 0.014 nan 8.270 nan 0.000 0.468 254 N N 0.526 119.204 118.700 -0.036 0.000 2.444 254 N HA 0.180 4.921 4.740 0.002 0.000 0.255 254 N C -0.364 175.121 175.510 -0.042 0.000 1.255 254 N CA 0.210 53.228 53.050 -0.053 0.000 0.933 254 N CB 1.496 39.964 38.487 -0.031 0.000 1.143 254 N HN 0.464 nan 8.380 nan 0.000 0.453 255 S N -0.558 115.113 115.700 -0.049 0.000 2.611 255 S HA 0.471 4.941 4.470 0.002 0.000 0.268 255 S C -0.488 174.096 174.600 -0.028 0.000 1.156 255 S CA -0.726 57.456 58.200 -0.029 0.000 0.817 255 S CB 1.172 64.360 63.200 -0.020 0.000 1.122 255 S HN 0.618 nan 8.310 nan 0.000 0.466 256 R N 0.592 121.083 120.500 -0.015 0.000 2.541 256 R HA 0.214 4.555 4.340 0.002 0.000 0.332 256 R C -0.315 175.981 176.300 -0.007 0.000 0.951 256 R CA -0.420 55.672 56.100 -0.013 0.000 1.136 256 R CB 0.042 30.336 30.300 -0.009 0.000 1.449 256 R HN 0.534 nan 8.270 nan 0.000 0.531 257 N N 2.580 121.279 118.700 -0.002 0.000 2.405 257 N HA -0.035 4.706 4.740 0.002 0.000 0.260 257 N C 1.038 176.549 175.510 0.002 0.000 1.152 257 N CA -0.087 52.966 53.050 0.005 0.000 0.948 257 N CB 1.056 39.551 38.487 0.013 0.000 1.111 257 N HN 0.045 nan 8.380 nan 0.000 0.485 258 L N 3.911 125.134 121.223 -0.000 0.000 2.089 258 L HA -0.157 4.184 4.340 0.002 0.000 0.213 258 L C 1.645 178.506 176.870 -0.015 0.000 1.079 258 L CA 1.894 56.728 54.840 -0.009 0.000 0.758 258 L CB -0.279 41.782 42.059 0.004 0.000 0.891 258 L HN 0.565 nan 8.230 nan 0.000 0.433 259 E N -0.267 119.936 120.200 0.005 0.000 2.274 259 E HA -0.165 4.186 4.350 0.002 0.000 0.194 259 E C 2.079 178.686 176.600 0.012 0.000 0.996 259 E CA 1.044 57.450 56.400 0.010 0.000 0.840 259 E CB -0.069 29.646 29.700 0.026 0.000 0.772 259 E HN 0.701 nan 8.360 nan 0.000 0.491 260 E N 0.162 120.380 120.200 0.029 0.000 2.170 260 E HA 0.009 4.360 4.350 0.002 0.000 0.191 260 E C 2.112 178.793 176.600 0.135 0.000 0.981 260 E CA 0.340 56.785 56.400 0.075 0.000 0.830 260 E CB 0.087 29.833 29.700 0.075 0.000 0.775 260 E HN 0.225 nan 8.360 nan 0.000 0.470 261 I N 1.170 121.776 120.570 0.060 0.000 2.406 261 I HA -0.196 3.975 4.170 0.002 0.000 0.249 261 I C 2.183 178.277 176.117 -0.037 0.000 1.122 261 I CA 0.744 62.076 61.300 0.053 0.000 1.431 261 I CB -0.132 37.849 38.000 -0.032 0.000 1.087 261 I HN -0.029 nan 8.210 nan 0.000 0.424 262 K N 0.878 121.160 120.400 -0.197 0.000 2.059 262 K HA -0.211 4.110 4.320 0.002 0.000 0.212 262 K C -0.362 175.838 176.600 -0.667 0.000 1.050 262 K CA 1.987 57.917 56.287 -0.594 0.000 0.927 262 K CB -1.439 30.759 32.500 -0.503 0.000 0.714 262 K HN 0.267 nan 8.250 nan 0.000 0.447 263 P HA -0.168 nan 4.420 nan 0.000 0.215 263 P C 0.939 178.145 177.300 -0.156 0.000 1.153 263 P CA 1.398 64.403 63.100 -0.157 0.000 0.853 263 P CB -0.053 31.532 31.700 -0.192 0.000 0.788 264 Y N -1.239 118.998 120.300 -0.105 0.000 2.163 264 Y HA -0.108 4.443 4.550 0.002 0.000 0.288 264 Y C 2.303 178.158 175.900 -0.074 0.000 1.136 264 Y CA 0.693 58.757 58.100 -0.060 0.000 1.147 264 Y CB -1.294 37.132 38.460 -0.056 0.000 0.987 264 Y HN -0.145 nan 8.280 nan 0.000 0.509 265 L N -0.851 120.364 121.223 -0.013 0.000 2.042 265 L HA -0.215 4.126 4.340 0.002 0.000 0.210 265 L C 1.886 178.764 176.870 0.013 0.000 1.076 265 L CA 1.786 56.583 54.840 -0.072 0.000 0.749 265 L CB -0.927 40.999 42.059 -0.222 0.000 0.893 265 L HN 0.076 nan 8.230 nan 0.000 0.432 266 F N -0.123 119.794 119.950 -0.055 0.000 2.234 266 F HA -0.082 4.446 4.527 0.002 0.000 0.299 266 F C 2.762 178.528 175.800 -0.057 0.000 1.087 266 F CA 1.180 59.084 58.000 -0.160 0.000 1.340 266 F CB -1.087 37.880 39.000 -0.055 0.000 1.031 266 F HN 0.153 nan 8.300 nan 0.000 0.500 267 R N 0.364 120.969 120.500 0.175 0.000 2.081 267 R HA -0.116 4.225 4.340 0.002 0.000 0.235 267 R C 2.356 178.740 176.300 0.140 0.000 1.131 267 R CA 1.270 57.448 56.100 0.130 0.000 0.960 267 R CB -0.396 29.948 30.300 0.073 0.000 0.856 267 R HN 0.214 nan 8.270 nan 0.000 0.436 268 A N 1.034 123.935 122.820 0.136 0.000 1.902 268 A HA -0.142 4.179 4.320 0.002 0.000 0.217 268 A C 2.131 179.836 177.584 0.203 0.000 1.181 268 A CA 1.293 53.417 52.037 0.145 0.000 0.623 268 A CB -0.472 18.593 19.000 0.109 0.000 0.818 268 A HN 0.330 nan 8.150 nan 0.000 0.443 269 I N -0.422 120.266 120.570 0.195 0.000 2.226 269 I HA -0.219 3.952 4.170 0.002 0.000 0.245 269 I C 2.516 178.853 176.117 0.367 0.000 1.100 269 I CA 1.174 62.660 61.300 0.310 0.000 1.374 269 I CB -0.452 37.593 38.000 0.075 0.000 1.057 269 I HN 0.356 nan 8.210 nan 0.000 0.413 270 E N 1.189 121.539 120.200 0.250 0.000 2.013 270 E HA -0.259 4.092 4.350 0.002 0.000 0.202 270 E C 1.977 178.752 176.600 0.292 0.000 1.018 270 E CA 1.606 58.164 56.400 0.264 0.000 0.834 270 E CB -0.534 29.284 29.700 0.196 0.000 0.770 270 E HN 0.565 nan 8.360 nan 0.000 0.459 271 E N 0.825 121.165 120.200 0.233 0.000 2.097 271 E HA -0.164 4.187 4.350 0.002 0.000 0.196 271 E C 2.303 179.081 176.600 0.297 0.000 1.000 271 E CA 1.247 57.788 56.400 0.233 0.000 0.804 271 E CB -0.200 29.599 29.700 0.165 0.000 0.740 271 E HN 0.057 nan 8.360 nan 0.000 0.454 272 S N 0.350 116.237 115.700 0.311 0.000 2.353 272 S HA -0.178 4.293 4.470 0.002 0.000 0.222 272 S C 1.835 176.553 174.600 0.197 0.000 1.035 272 S CA 1.167 59.557 58.200 0.316 0.000 1.025 272 S CB -0.440 63.066 63.200 0.509 0.000 0.902 272 S HN 0.299 nan 8.310 nan 0.000 0.440 273 Y N 0.124 120.511 120.300 0.145 0.000 2.165 273 Y HA -0.232 4.319 4.550 0.002 0.000 0.286 273 Y C 2.342 178.264 175.900 0.037 0.000 1.155 273 Y CA 1.879 59.983 58.100 0.007 0.000 1.164 273 Y CB -0.571 37.897 38.460 0.014 0.000 0.978 273 Y HN 0.368 nan 8.280 nan 0.000 0.513 274 Y N 1.099 121.490 120.300 0.153 0.000 2.151 274 Y HA -0.313 4.238 4.550 0.002 0.000 0.284 274 Y C 1.984 177.899 175.900 0.025 0.000 1.166 274 Y CA 1.945 60.093 58.100 0.081 0.000 1.163 274 Y CB -0.352 38.155 38.460 0.079 0.000 0.974 274 Y HN -0.002 nan 8.280 nan 0.000 0.511 275 K N -0.057 120.330 120.400 -0.022 0.000 2.217 275 K HA -0.049 4.272 4.320 0.002 0.000 0.202 275 K C 2.015 178.496 176.600 -0.197 0.000 1.051 275 K CA 1.144 57.358 56.287 -0.123 0.000 0.952 275 K CB -0.198 32.341 32.500 0.066 0.000 0.736 275 K HN 0.344 nan 8.250 nan 0.000 0.453 276 L N 0.903 121.995 121.223 -0.218 0.000 2.127 276 L HA -0.248 4.093 4.340 0.002 0.000 0.211 276 L C 0.898 177.573 176.870 -0.324 0.000 1.089 276 L CA 0.899 55.542 54.840 -0.330 0.000 0.757 276 L CB -0.601 41.169 42.059 -0.482 0.000 0.899 276 L HN 0.353 nan 8.230 nan 0.000 0.434 277 D N -0.828 119.399 120.400 -0.288 0.000 3.639 277 D HA -0.258 4.383 4.640 0.002 0.000 0.162 277 D C 0.675 176.855 176.300 -0.199 0.000 1.054 277 D CA 1.600 55.447 54.000 -0.254 0.000 1.085 277 D CB -0.413 40.243 40.800 -0.239 0.000 0.547 277 D HN -0.085 nan 8.370 nan 0.000 0.595 278 K N 0.967 121.263 120.400 -0.173 0.000 2.589 278 K HA 0.144 4.465 4.320 0.002 0.000 0.204 278 K C 0.287 176.790 176.600 -0.161 0.000 1.029 278 K CA 0.277 56.484 56.287 -0.134 0.000 1.177 278 K CB -0.323 32.119 32.500 -0.097 0.000 0.902 278 K HN 0.222 nan 8.250 nan 0.000 0.501 279 R N 0.461 120.810 120.500 -0.252 0.000 2.407 279 R HA 0.469 4.810 4.340 0.002 0.000 0.303 279 R C -0.104 176.051 176.300 -0.242 0.000 0.981 279 R CA -0.441 55.467 56.100 -0.320 0.000 0.905 279 R CB 1.272 31.170 30.300 -0.670 0.000 1.099 279 R HN -0.004 nan 8.270 nan 0.000 0.459 280 I N 5.152 125.669 120.570 -0.087 0.000 2.382 280 I HA 0.301 4.472 4.170 0.002 0.000 0.285 280 I C -2.111 174.109 176.117 0.171 0.000 1.007 280 I CA -2.286 59.020 61.300 0.008 0.000 1.142 280 I CB 1.922 39.944 38.000 0.037 0.000 1.289 280 I HN 0.314 nan 8.210 nan 0.000 0.453 281 P HA 0.262 nan 4.420 nan 0.000 0.282 281 P C -0.494 176.932 177.300 0.209 0.000 1.249 281 P CA -0.514 62.772 63.100 0.310 0.000 0.806 281 P CB 1.916 33.828 31.700 0.354 0.000 0.984 282 K N 0.751 121.262 120.400 0.185 0.000 2.348 282 K HA 0.300 4.621 4.320 0.002 0.000 0.194 282 K C 0.758 177.507 176.600 0.249 0.000 1.052 282 K CA 0.145 56.537 56.287 0.176 0.000 1.004 282 K CB 0.688 33.259 32.500 0.117 0.000 0.873 282 K HN 0.516 nan 8.250 nan 0.000 0.523 283 A N 1.635 124.588 122.820 0.221 0.000 2.355 283 A HA 0.670 4.991 4.320 0.002 0.000 0.324 283 A C -1.127 176.630 177.584 0.288 0.000 1.117 283 A CA -0.659 51.505 52.037 0.211 0.000 0.785 283 A CB 1.030 20.114 19.000 0.142 0.000 1.254 283 A HN 0.230 nan 8.150 nan 0.000 0.453 284 I N 1.103 121.770 120.570 0.161 0.000 2.619 284 I HA 0.637 4.808 4.170 0.002 0.000 0.292 284 I C -1.573 174.421 176.117 -0.205 0.000 1.100 284 I CA -0.555 60.776 61.300 0.052 0.000 1.043 284 I CB 1.846 39.956 38.000 0.184 0.000 1.239 284 I HN 0.858 nan 8.210 nan 0.000 0.420 285 H N 4.708 123.684 119.070 -0.157 0.000 2.717 285 H HA 0.550 5.107 4.556 0.002 0.000 0.366 285 H C -1.090 174.158 175.328 -0.133 0.000 1.132 285 H CA -0.461 55.523 56.048 -0.107 0.000 1.180 285 H CB 2.406 32.113 29.762 -0.092 0.000 1.678 285 H HN 0.240 nan 8.280 nan 0.000 0.537 286 V N 3.950 123.872 119.914 0.015 0.000 2.398 286 V HA 0.339 4.460 4.120 0.002 0.000 0.286 286 V C -0.461 175.638 176.094 0.009 0.000 1.026 286 V CA -0.620 61.674 62.300 -0.010 0.000 0.868 286 V CB 1.433 33.251 31.823 -0.009 0.000 0.982 286 V HN 0.499 nan 8.190 nan 0.000 0.443 287 V N 4.157 124.068 119.914 -0.006 0.000 2.495 287 V HA 0.872 4.993 4.120 0.002 0.000 0.298 287 V C 0.183 176.267 176.094 -0.017 0.000 1.031 287 V CA -0.521 61.775 62.300 -0.007 0.000 0.871 287 V CB 1.660 33.475 31.823 -0.014 0.000 0.988 287 V HN 0.963 nan 8.190 nan 0.000 0.432 288 A N 4.054 126.863 122.820 -0.019 0.000 2.356 288 A HA 0.840 5.161 4.320 0.002 0.000 0.310 288 A C -0.954 176.613 177.584 -0.028 0.000 1.075 288 A CA -0.566 51.454 52.037 -0.028 0.000 0.746 288 A CB 1.831 20.814 19.000 -0.029 0.000 1.221 288 A HN 0.660 nan 8.150 nan 0.000 0.443 289 V N 3.291 123.184 119.914 -0.035 0.000 2.333 289 V HA 0.390 4.511 4.120 0.002 0.000 0.274 289 V C 0.943 177.016 176.094 -0.035 0.000 1.028 289 V CA -0.046 62.235 62.300 -0.031 0.000 0.851 289 V CB 0.848 32.653 31.823 -0.031 0.000 1.000 289 V HN 1.080 nan 8.190 nan 0.000 0.456 290 T N 1.098 115.635 114.554 -0.028 0.000 2.802 290 T HA 0.116 4.467 4.350 0.002 0.000 0.305 290 T C 1.333 176.018 174.700 -0.024 0.000 1.053 290 T CA 0.189 62.273 62.100 -0.026 0.000 1.058 290 T CB 0.720 69.576 68.868 -0.020 0.000 0.988 290 T HN 0.851 nan 8.240 nan 0.000 0.539 291 E N 0.955 121.142 120.200 -0.022 0.000 2.130 291 E HA -0.245 4.106 4.350 0.002 0.000 0.196 291 E C 0.749 177.343 176.600 -0.010 0.000 0.998 291 E CA 1.530 57.921 56.400 -0.016 0.000 0.806 291 E CB -0.476 29.216 29.700 -0.013 0.000 0.738 291 E HN 0.850 nan 8.360 nan 0.000 0.459 292 D N 2.454 122.848 120.400 -0.010 0.000 3.085 292 D HA 0.004 4.645 4.640 0.002 0.000 0.243 292 D C 0.438 176.732 176.300 -0.009 0.000 1.232 292 D CA -0.266 53.730 54.000 -0.007 0.000 0.913 292 D CB -0.369 40.427 40.800 -0.008 0.000 1.108 292 D HN 0.286 nan 8.370 nan 0.000 0.468 293 L N -0.498 120.720 121.223 -0.010 0.000 4.204 293 L HA -0.259 4.082 4.340 0.002 0.000 0.486 293 L C 0.176 177.038 176.870 -0.013 0.000 1.072 293 L CA 0.823 55.656 54.840 -0.011 0.000 0.798 293 L CB -1.448 40.606 42.059 -0.008 0.000 1.766 293 L HN 0.289 nan 8.230 nan 0.000 0.877 294 D N 0.321 120.713 120.400 -0.015 0.000 2.326 294 D HA 0.691 5.332 4.640 0.002 0.000 0.251 294 D C -0.046 176.244 176.300 -0.017 0.000 1.023 294 D CA -0.384 53.607 54.000 -0.015 0.000 0.966 294 D CB 1.478 42.270 40.800 -0.014 0.000 1.156 294 D HN 0.126 nan 8.370 nan 0.000 0.494 295 I N 1.690 122.250 120.570 -0.017 0.000 2.447 295 I HA 0.286 4.457 4.170 0.002 0.000 0.287 295 I C -0.499 175.609 176.117 -0.016 0.000 1.023 295 I CA -1.009 60.280 61.300 -0.018 0.000 1.083 295 I CB 2.076 40.065 38.000 -0.020 0.000 1.245 295 I HN -0.026 nan 8.210 nan 0.000 0.434 296 V N 5.871 125.777 119.914 -0.014 0.000 2.628 296 V HA 0.801 4.921 4.120 0.002 0.000 0.306 296 V C -0.372 175.720 176.094 -0.004 0.000 1.045 296 V CA -0.024 62.270 62.300 -0.009 0.000 0.905 296 V CB 2.254 34.071 31.823 -0.010 0.000 0.997 296 V HN 0.880 nan 8.190 nan 0.000 0.436 297 S N 7.035 122.739 115.700 0.007 0.000 2.546 297 S HA 0.820 5.291 4.470 0.002 0.000 0.274 297 S C -1.289 173.335 174.600 0.040 0.000 1.121 297 S CA -1.016 57.200 58.200 0.027 0.000 0.887 297 S CB 2.383 65.606 63.200 0.038 0.000 1.094 297 S HN 0.729 nan 8.310 nan 0.000 0.474 298 R N 0.733 121.257 120.500 0.039 0.000 2.621 298 R HA 0.792 5.133 4.340 0.002 0.000 0.284 298 R C -0.100 176.173 176.300 -0.044 0.000 0.998 298 R CA -0.380 55.724 56.100 0.007 0.000 0.895 298 R CB 1.744 32.038 30.300 -0.010 0.000 1.195 298 R HN 1.072 nan 8.270 nan 0.000 0.450 299 G N 0.667 109.381 108.800 -0.143 0.000 2.727 299 G HA2 0.727 4.688 3.960 0.002 0.000 0.289 299 G HA3 0.727 4.688 3.960 0.002 0.000 0.289 299 G C -1.484 173.212 174.900 -0.339 0.000 1.418 299 G CA -0.587 44.258 45.100 -0.426 0.000 0.818 299 G HN 0.386 nan 8.290 nan 0.000 0.486 300 R N -0.752 119.518 120.500 -0.383 0.000 2.594 300 R HA 0.557 4.898 4.340 0.002 0.000 0.265 300 R C -1.579 174.536 176.300 -0.307 0.000 1.070 300 R CA -0.471 55.429 56.100 -0.333 0.000 0.909 300 R CB 1.870 31.941 30.300 -0.381 0.000 1.243 300 R HN 0.558 nan 8.270 nan 0.000 0.455 301 T N 4.146 118.518 114.554 -0.303 0.000 2.771 301 T HA 0.480 4.831 4.350 0.002 0.000 0.281 301 T C -0.830 173.689 174.700 -0.302 0.000 0.982 301 T CA -0.193 61.808 62.100 -0.165 0.000 0.978 301 T CB 0.355 69.174 68.868 -0.082 0.000 0.930 301 T HN 0.239 nan 8.240 nan 0.000 0.447 302 F N 3.871 123.752 119.950 -0.116 0.000 2.399 302 F HA 0.375 4.903 4.527 0.002 0.000 0.328 302 F C -1.068 174.595 175.800 -0.228 0.000 1.084 302 F CA -2.372 55.487 58.000 -0.235 0.000 1.053 302 F CB 1.116 39.850 39.000 -0.444 0.000 1.209 302 F HN 0.362 nan 8.300 nan 0.000 0.502 303 P HA -0.058 nan 4.420 nan 0.000 0.242 303 P C -0.765 176.591 177.300 0.093 0.000 1.197 303 P CA 1.182 64.304 63.100 0.038 0.000 0.765 303 P CB -0.332 31.427 31.700 0.099 0.000 0.936 304 H N -3.724 115.452 119.070 0.176 0.000 2.942 304 H HA 0.673 5.230 4.556 0.002 0.000 0.316 304 H C 0.217 175.617 175.328 0.119 0.000 1.323 304 H CA -1.017 55.102 56.048 0.119 0.000 1.144 304 H CB 0.050 29.863 29.762 0.085 0.000 1.866 304 H HN -0.125 nan 8.280 nan 0.000 0.545 305 G N -0.227 108.732 108.800 0.265 0.000 2.636 305 G HA2 0.400 4.361 3.960 0.002 0.000 0.246 305 G HA3 0.400 4.361 3.960 0.002 0.000 0.246 305 G C -0.444 174.556 174.900 0.167 0.000 1.216 305 G CA -0.708 44.499 45.100 0.178 0.000 0.854 305 G HN 0.605 nan 8.290 nan 0.000 0.572 306 I N 1.249 121.868 120.570 0.081 0.000 2.339 306 I HA 0.210 4.381 4.170 0.002 0.000 0.290 306 I C 0.813 176.988 176.117 0.098 0.000 0.994 306 I CA -0.526 60.781 61.300 0.012 0.000 1.191 306 I CB 1.575 39.608 38.000 0.056 0.000 1.343 306 I HN 0.557 nan 8.210 nan 0.000 0.458 307 S N 5.376 121.091 115.700 0.025 0.000 2.632 307 S HA 0.241 4.712 4.470 0.002 0.000 0.267 307 S C 1.012 175.544 174.600 -0.114 0.000 1.276 307 S CA -0.595 57.601 58.200 -0.007 0.000 0.998 307 S CB 1.813 64.980 63.200 -0.055 0.000 0.953 307 S HN 0.734 nan 8.310 nan 0.000 0.547 308 K N 0.346 120.534 120.400 -0.353 0.000 2.026 308 K HA -0.139 4.182 4.320 0.002 0.000 0.208 308 K C 1.846 178.354 176.600 -0.154 0.000 1.048 308 K CA 1.484 57.432 56.287 -0.565 0.000 0.929 308 K CB -0.235 31.905 32.500 -0.601 0.000 0.713 308 K HN 0.655 nan 8.250 nan 0.000 0.439 309 E N 0.070 120.153 120.200 -0.195 0.000 2.085 309 E HA -0.155 4.196 4.350 0.002 0.000 0.194 309 E C 2.011 178.598 176.600 -0.020 0.000 0.994 309 E CA 1.442 57.746 56.400 -0.160 0.000 0.801 309 E CB -0.341 29.260 29.700 -0.165 0.000 0.743 309 E HN 0.347 nan 8.360 nan 0.000 0.453 310 T N 0.937 115.474 114.554 -0.029 0.000 2.821 310 T HA -0.080 4.271 4.350 0.002 0.000 0.267 310 T C 1.870 176.614 174.700 0.072 0.000 1.046 310 T CA 1.312 63.402 62.100 -0.018 0.000 1.139 310 T CB -0.125 68.659 68.868 -0.141 0.000 0.871 310 T HN 0.269 nan 8.240 nan 0.000 0.454 311 A N 0.039 122.945 122.820 0.143 0.000 1.930 311 A HA -0.039 4.282 4.320 0.002 0.000 0.217 311 A C 1.990 179.737 177.584 0.272 0.000 1.175 311 A CA 1.202 53.422 52.037 0.304 0.000 0.627 311 A CB -0.950 18.350 19.000 0.500 0.000 0.815 311 A HN 0.586 nan 8.150 nan 0.000 0.443 312 Y N -0.176 120.152 120.300 0.046 0.000 2.097 312 Y HA -0.223 4.328 4.550 0.002 0.000 0.282 312 Y C 3.261 179.225 175.900 0.107 0.000 1.152 312 Y CA 1.848 59.955 58.100 0.012 0.000 1.136 312 Y CB -0.256 38.060 38.460 -0.239 0.000 0.975 312 Y HN 0.399 nan 8.280 nan 0.000 0.498 313 S N -0.230 115.610 115.700 0.234 0.000 2.348 313 S HA -0.254 4.217 4.470 0.002 0.000 0.221 313 S C 2.020 176.735 174.600 0.192 0.000 1.033 313 S CA 1.743 60.053 58.200 0.184 0.000 1.010 313 S CB -0.366 62.909 63.200 0.125 0.000 0.891 313 S HN 0.452 nan 8.310 nan 0.000 0.442 314 E N 1.303 121.627 120.200 0.206 0.000 2.110 314 E HA -0.097 4.254 4.350 0.002 0.000 0.193 314 E C 2.231 178.939 176.600 0.179 0.000 0.988 314 E CA 1.691 58.227 56.400 0.226 0.000 0.804 314 E CB -0.539 29.367 29.700 0.345 0.000 0.745 314 E HN 0.664 nan 8.360 nan 0.000 0.458 315 S N -0.881 114.929 115.700 0.184 0.000 2.382 315 S HA -0.138 4.333 4.470 0.002 0.000 0.228 315 S C 2.089 176.762 174.600 0.123 0.000 1.027 315 S CA 1.288 59.570 58.200 0.136 0.000 0.991 315 S CB -0.630 62.655 63.200 0.142 0.000 0.823 315 S HN 0.127 nan 8.310 nan 0.000 0.469 316 V N 2.039 122.059 119.914 0.176 0.000 2.427 316 V HA -0.108 4.013 4.120 0.002 0.000 0.248 316 V C 2.653 178.804 176.094 0.094 0.000 1.051 316 V CA 1.976 64.362 62.300 0.144 0.000 1.048 316 V CB -0.723 31.228 31.823 0.214 0.000 0.666 316 V HN 0.493 nan 8.190 nan 0.000 0.456 317 K N 0.008 120.468 120.400 0.100 0.000 2.057 317 K HA -0.037 4.284 4.320 0.002 0.000 0.206 317 K C 2.076 178.704 176.600 0.046 0.000 1.050 317 K CA 1.194 57.524 56.287 0.071 0.000 0.935 317 K CB -0.263 32.284 32.500 0.079 0.000 0.715 317 K HN 0.350 nan 8.250 nan 0.000 0.439 318 L N 0.674 121.924 121.223 0.045 0.000 2.093 318 L HA -0.158 4.183 4.340 0.002 0.000 0.208 318 L C 2.323 179.201 176.870 0.012 0.000 1.085 318 L CA 0.385 55.236 54.840 0.018 0.000 0.755 318 L CB -0.393 41.670 42.059 0.008 0.000 0.904 318 L HN 0.158 nan 8.230 nan 0.000 0.435 319 L N -0.196 121.038 121.223 0.017 0.000 2.083 319 L HA -0.214 4.126 4.340 0.002 0.000 0.209 319 L C 2.491 179.363 176.870 0.003 0.000 1.083 319 L CA 1.752 56.593 54.840 0.002 0.000 0.752 319 L CB -0.556 41.498 42.059 -0.008 0.000 0.899 319 L HN 0.269 nan 8.230 nan 0.000 0.433 320 Q N -0.747 119.062 119.800 0.015 0.000 2.119 320 Q HA -0.217 4.124 4.340 0.002 0.000 0.201 320 Q C 2.250 178.255 176.000 0.009 0.000 0.972 320 Q CA 1.446 57.257 55.803 0.014 0.000 0.847 320 Q CB -0.166 28.587 28.738 0.025 0.000 0.903 320 Q HN 0.497 nan 8.270 nan 0.000 0.433 321 K N 0.937 121.342 120.400 0.008 0.000 2.032 321 K HA -0.159 4.162 4.320 0.002 0.000 0.209 321 K C 2.032 178.631 176.600 -0.001 0.000 1.048 321 K CA 1.175 57.464 56.287 0.002 0.000 0.927 321 K CB -0.093 32.407 32.500 -0.001 0.000 0.712 321 K HN 0.143 nan 8.250 nan 0.000 0.441 322 I N 1.164 121.733 120.570 -0.003 0.000 2.099 322 I HA -0.353 3.818 4.170 0.002 0.000 0.239 322 I C 2.226 178.339 176.117 -0.007 0.000 1.066 322 I CA 1.404 62.700 61.300 -0.006 0.000 1.324 322 I CB -0.373 37.621 38.000 -0.009 0.000 1.037 322 I HN 0.191 nan 8.210 nan 0.000 0.401 323 L N 0.283 121.502 121.223 -0.007 0.000 2.129 323 L HA -0.244 4.097 4.340 0.002 0.000 0.212 323 L C 2.542 179.410 176.870 -0.004 0.000 1.087 323 L CA 1.309 56.145 54.840 -0.007 0.000 0.757 323 L CB -0.547 41.508 42.059 -0.006 0.000 0.896 323 L HN 0.314 nan 8.230 nan 0.000 0.434 324 E N 0.727 120.926 120.200 -0.002 0.000 2.051 324 E HA -0.175 4.176 4.350 0.002 0.000 0.189 324 E C 1.846 178.444 176.600 -0.002 0.000 0.979 324 E CA 1.267 57.667 56.400 -0.000 0.000 0.803 324 E CB 0.050 29.751 29.700 0.002 0.000 0.761 324 E HN 0.438 nan 8.360 nan 0.000 0.451 325 E N -0.145 120.053 120.200 -0.003 0.000 2.478 325 E HA 0.020 4.371 4.350 0.002 0.000 0.194 325 E C -0.228 176.369 176.600 -0.006 0.000 1.045 325 E CA 0.211 56.608 56.400 -0.004 0.000 0.868 325 E CB 0.340 30.037 29.700 -0.005 0.000 0.885 325 E HN 0.131 nan 8.360 nan 0.000 0.505 326 D N 0.640 121.037 120.400 -0.006 0.000 2.686 326 D HA 0.031 4.672 4.640 0.002 0.000 0.249 326 D C 0.338 176.633 176.300 -0.008 0.000 1.260 326 D CA -0.073 53.922 54.000 -0.008 0.000 0.910 326 D CB 1.295 42.090 40.800 -0.009 0.000 1.323 326 D HN 0.030 nan 8.370 nan 0.000 0.561 327 E N 2.304 122.500 120.200 -0.007 0.000 2.285 327 E HA 0.011 4.362 4.350 0.002 0.000 0.194 327 E C 0.413 177.007 176.600 -0.009 0.000 0.997 327 E CA 0.117 56.513 56.400 -0.007 0.000 0.845 327 E CB 0.392 30.088 29.700 -0.006 0.000 0.782 327 E HN 0.224 nan 8.360 nan 0.000 0.491 328 R N 1.896 122.389 120.500 -0.010 0.000 2.811 328 R HA 0.116 4.457 4.340 0.002 0.000 0.265 328 R C 0.277 176.568 176.300 -0.015 0.000 1.026 328 R CA 0.173 56.266 56.100 -0.012 0.000 1.142 328 R CB 0.437 30.729 30.300 -0.013 0.000 1.027 328 R HN -0.005 nan 8.270 nan 0.000 0.465 329 K N 1.434 121.825 120.400 -0.016 0.000 2.202 329 K HA 0.226 4.547 4.320 0.002 0.000 0.264 329 K C 0.065 176.648 176.600 -0.029 0.000 1.010 329 K CA -0.174 56.101 56.287 -0.021 0.000 0.940 329 K CB 0.710 33.199 32.500 -0.019 0.000 0.983 329 K HN 0.368 nan 8.250 nan 0.000 0.475 330 I N 2.442 122.989 120.570 -0.040 0.000 2.353 330 I HA 0.168 4.339 4.170 0.002 0.000 0.293 330 I C 1.404 177.476 176.117 -0.075 0.000 0.992 330 I CA -0.112 61.156 61.300 -0.054 0.000 1.268 330 I CB 1.494 39.458 38.000 -0.060 0.000 1.387 330 I HN 0.704 nan 8.210 nan 0.000 0.478 331 R N 5.282 125.736 120.500 -0.076 0.000 2.140 331 R HA 0.284 4.624 4.340 0.002 0.000 0.200 331 R C 0.217 176.441 176.300 -0.128 0.000 1.069 331 R CA 0.150 56.196 56.100 -0.091 0.000 1.088 331 R CB 0.610 30.878 30.300 -0.055 0.000 1.012 331 R HN 0.515 nan 8.270 nan 0.000 0.500 332 R N 0.704 121.145 120.500 -0.098 0.000 2.562 332 R HA 0.384 4.725 4.340 0.002 0.000 0.298 332 R C -1.334 174.916 176.300 -0.085 0.000 0.961 332 R CA -0.870 55.171 56.100 -0.098 0.000 0.881 332 R CB 2.101 32.367 30.300 -0.056 0.000 1.159 332 R HN 0.078 nan 8.270 nan 0.000 0.450 333 I N 0.481 121.000 120.570 -0.086 0.000 2.647 333 I HA 0.709 4.880 4.170 0.002 0.000 0.295 333 I C -0.484 175.625 176.117 -0.013 0.000 1.078 333 I CA -0.162 61.106 61.300 -0.053 0.000 1.048 333 I CB 2.272 40.232 38.000 -0.067 0.000 1.239 333 I HN 0.789 nan 8.210 nan 0.000 0.421 334 G N 5.143 113.937 108.800 -0.009 0.000 2.554 334 G HA2 0.646 4.607 3.960 0.002 0.000 0.306 334 G HA3 0.646 4.607 3.960 0.002 0.000 0.306 334 G C -1.812 173.078 174.900 -0.018 0.000 1.320 334 G CA -0.021 45.082 45.100 0.006 0.000 0.800 334 G HN 1.162 nan 8.290 nan 0.000 0.481 335 V N -2.629 117.265 119.914 -0.033 0.000 3.078 335 V HA 0.964 5.085 4.120 0.002 0.000 0.311 335 V C -0.690 175.303 176.094 -0.168 0.000 1.138 335 V CA -1.254 60.964 62.300 -0.136 0.000 1.007 335 V CB 2.002 33.687 31.823 -0.230 0.000 1.045 335 V HN 1.135 nan 8.190 nan 0.000 0.432 336 R N 1.606 121.946 120.500 -0.266 0.000 2.533 336 R HA 0.678 5.019 4.340 0.002 0.000 0.288 336 R C -2.199 173.956 176.300 -0.243 0.000 1.039 336 R CA -0.453 55.546 56.100 -0.169 0.000 0.909 336 R CB 1.682 31.939 30.300 -0.071 0.000 1.195 336 R HN 0.704 nan 8.270 nan 0.000 0.438 337 F N 2.350 122.382 119.950 0.136 0.000 2.422 337 F HA 0.604 5.132 4.527 0.002 0.000 0.333 337 F C 0.578 176.394 175.800 0.027 0.000 1.095 337 F CA 0.014 58.098 58.000 0.141 0.000 1.038 337 F CB 2.163 41.256 39.000 0.156 0.000 1.156 337 F HN 0.713 nan 8.300 nan 0.000 0.483 338 S N 0.170 115.915 115.700 0.075 0.000 2.757 338 S HA 0.548 5.019 4.470 0.002 0.000 0.285 338 S C -1.085 173.273 174.600 -0.403 0.000 1.196 338 S CA -1.326 56.601 58.200 -0.455 0.000 0.856 338 S CB 1.531 64.566 63.200 -0.274 0.000 1.212 338 S HN 0.615 nan 8.310 nan 0.000 0.516 339 K N 0.302 120.412 120.400 -0.484 0.000 3.239 339 K HA -0.125 4.196 4.320 0.002 0.000 0.270 339 K C -1.219 175.320 176.600 -0.102 0.000 1.049 339 K CA 0.337 56.499 56.287 -0.208 0.000 0.769 339 K CB -2.096 30.374 32.500 -0.050 0.000 1.305 339 K HN 0.434 nan 8.250 nan 0.000 0.469 340 F N 0.982 120.963 119.950 0.051 0.000 2.572 340 F HA 0.114 4.642 4.527 0.002 0.000 0.370 340 F C 1.722 177.539 175.800 0.029 0.000 1.103 340 F CA -0.682 57.337 58.000 0.031 0.000 1.286 340 F CB 0.175 39.183 39.000 0.013 0.000 1.105 340 F HN 0.072 nan 8.300 nan 0.000 0.583 341 I N 2.517 123.225 120.570 0.230 0.000 2.618 341 I HA 0.398 4.569 4.170 0.002 0.000 0.284 341 I C 0.389 176.576 176.117 0.116 0.000 1.146 341 I CA 0.853 62.235 61.300 0.136 0.000 1.425 341 I CB 0.165 38.229 38.000 0.106 0.000 1.383 341 I HN 0.851 nan 8.210 nan 0.000 0.562 342 E N 0.000 120.254 120.200 0.090 0.000 2.725 342 E HA 0.000 4.351 4.350 0.002 0.000 0.291 342 E CA 0.000 nan 56.400 nan 0.000 0.976 342 E CB 0.000 nan 29.700 nan 0.000 0.812 342 E HN 0.000 nan 8.360 nan 0.000 0.440