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 1wa5_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSDLETVAKF LAESVIASTA KTSERNLRQL ETQDGFGLTL LHVIASTNLP DATA SEQUENCE LSTRLAGALF FKNFIKRKWV DENGNHLLPA NNVELIKKEI VPLMISLPNN DATA SEQUENCE LQVQIGEAIS SIADSDFPDR WPTLLSDLAS RLSNDDMVTN KGVLTVAHSI DATA SEQUENCE FKRWRPLFRS DELFLEIKLV LDVFTAPFLN LLKTVDEQIT ANEXXKASLN DATA SEQUENCE ILFDVLLVLI KLYYDFNCQD IPEFFEDNIQ VGMGIFHKYL SYSNPLLEXX DATA SEQUENCE XXXXHASVLI KVKSSIQELV QLYTTRYEDV FGPMINEFIQ ITWNLLTSIS DATA SEQUENCE NQPKYDILVS KSLSFLTAVT RIPKYFEIFN NESAMNNITE QIILPNVTLR DATA SEQUENCE EEDVELFEDD PIEYIRRDLE GXXXXTRRRA CTDFLKELKE KNEVLVTNIF DATA SEQUENCE LAHMKGFVDQ YMSXXXXNWK FKDLYIYLFT ALAINGNITN AGVSSTNNLL DATA SEQUENCE NVVDFFTKEI APDLTSNNIP HIILRVDAIK YIYTFRNQLT KAQLIELMPI DATA SEQUENCE LATFLQTDEY VVYTYAAITI EKILTIRESN TSPAFIFHKE DISNSTEILL DATA SEQUENCE KNLIALILKH GSSPEKLAEN EFLMRSIFRV LQTSEDSIQP LFPQLLAQFI DATA SEQUENCE EIVTIMAKNP SNPRFTHYTF ESIGAILNYT QRQNLPLLVD SMMPTFLTVF DATA SEQUENCE SEDIQEFIPY VFQIIAFVVE QSATIPESIK PLAQPLLAPN VWELKGNIPA DATA SEQUENCE VTRLLKSFIK TDSSIFPDLV PVLGIFQRLI ASKAYEVHGF DLLEHIMLLI DATA SEQUENCE DMNRLRPYIK QIAVLLLQRL QNSKTERYVK KLTVFFGLIS NKLGSDFLIH DATA SEQUENCE FIDEVQDGLF QQIWGNFIIT TLPTIGNLLD RKIALIGVLN MVINGQFFQS DATA SEQUENCE KYPTLISSTM NSIIETASSQ SIANLKNDYV XXXXXEEIST FGSHFSKLVS DATA SEQUENCE ISEKPFDPLP EIDVNNGVRL YVAEALNKYN AISGNTFLNT ILPQLTQENQ DATA SEQUENCE VKLNQLLVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.306 55.300 0.011 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 S N 2.581 118.288 115.700 0.012 0.000 2.881 2 S HA -0.090 4.382 4.470 0.004 0.000 0.852 2 S C 0.790 175.403 174.600 0.020 0.000 0.877 2 S CA 0.834 59.040 58.200 0.011 0.000 1.464 2 S CB 0.020 63.222 63.200 0.002 0.000 1.049 2 S HN 0.916 nan 8.310 nan 0.000 0.322 3 D N 4.005 124.421 120.400 0.027 0.000 2.218 3 D HA -0.120 4.522 4.640 0.004 0.000 0.204 3 D C 1.755 178.076 176.300 0.036 0.000 0.976 3 D CA 1.446 55.474 54.000 0.047 0.000 0.853 3 D CB -0.228 40.605 40.800 0.053 0.000 0.939 3 D HN 0.529 nan 8.370 nan 0.000 0.481 4 L N 0.701 121.931 121.223 0.012 0.000 2.109 4 L HA -0.044 4.298 4.340 0.004 0.000 0.207 4 L C 2.430 179.293 176.870 -0.011 0.000 1.086 4 L CA 1.577 56.416 54.840 -0.003 0.000 0.760 4 L CB -0.564 41.504 42.059 0.015 0.000 0.910 4 L HN 0.046 nan 8.230 nan 0.000 0.437 5 E N -1.511 118.683 120.200 -0.010 0.000 2.106 5 E HA -0.193 4.159 4.350 0.004 0.000 0.192 5 E C 1.787 178.358 176.600 -0.048 0.000 0.984 5 E CA 1.575 57.956 56.400 -0.032 0.000 0.806 5 E CB 0.033 29.715 29.700 -0.029 0.000 0.750 5 E HN 0.478 nan 8.360 nan 0.000 0.458 6 T N 0.411 114.962 114.554 -0.004 0.000 2.821 6 T HA -0.089 4.264 4.350 0.004 0.000 0.267 6 T C 1.895 176.640 174.700 0.076 0.000 1.046 6 T CA 1.039 63.154 62.100 0.026 0.000 1.139 6 T CB -0.052 68.893 68.868 0.128 0.000 0.871 6 T HN 0.016 nan 8.240 nan 0.000 0.454 7 V N 1.680 121.646 119.914 0.087 0.000 2.295 7 V HA -0.154 3.968 4.120 0.004 0.000 0.246 7 V C 2.880 178.981 176.094 0.012 0.000 1.049 7 V CA 1.724 64.084 62.300 0.099 0.000 1.024 7 V CB -1.133 30.707 31.823 0.028 0.000 0.648 7 V HN 0.516 nan 8.190 nan 0.000 0.447 8 A N -0.277 122.517 122.820 -0.043 0.000 1.940 8 A HA -0.290 4.032 4.320 0.004 0.000 0.219 8 A C 2.324 179.841 177.584 -0.111 0.000 1.176 8 A CA 2.267 54.263 52.037 -0.069 0.000 0.631 8 A CB -0.523 18.436 19.000 -0.070 0.000 0.814 8 A HN 0.553 nan 8.150 nan 0.000 0.446 9 K N -1.125 119.153 120.400 -0.204 0.000 2.032 9 K HA -0.163 4.159 4.320 0.004 0.000 0.209 9 K C 1.552 177.899 176.600 -0.422 0.000 1.048 9 K CA 1.998 58.056 56.287 -0.381 0.000 0.927 9 K CB -0.342 31.773 32.500 -0.641 0.000 0.712 9 K HN 0.470 nan 8.250 nan 0.000 0.441 10 F N 0.288 120.220 119.950 -0.030 0.000 2.456 10 F HA -0.053 4.476 4.527 0.004 0.000 0.298 10 F C 1.895 177.671 175.800 -0.040 0.000 1.104 10 F CA -0.239 57.741 58.000 -0.033 0.000 1.435 10 F CB 0.023 38.997 39.000 -0.043 0.000 1.078 10 F HN 0.028 nan 8.300 nan 0.000 0.546 11 L N 0.419 121.680 121.223 0.062 0.000 2.056 11 L HA -0.125 4.217 4.340 0.004 0.000 0.207 11 L C 2.580 179.469 176.870 0.030 0.000 1.078 11 L CA 1.781 56.638 54.840 0.028 0.000 0.749 11 L CB -1.407 40.646 42.059 -0.010 0.000 0.901 11 L HN 0.105 nan 8.230 nan 0.000 0.433 12 A N -1.136 121.679 122.820 -0.007 0.000 1.933 12 A HA -0.193 4.129 4.320 0.004 0.000 0.218 12 A C 2.146 179.736 177.584 0.009 0.000 1.175 12 A CA 1.497 53.526 52.037 -0.013 0.000 0.628 12 A CB -0.454 18.517 19.000 -0.049 0.000 0.814 12 A HN 0.524 nan 8.150 nan 0.000 0.444 13 E N 0.332 120.545 120.200 0.022 0.000 2.204 13 E HA -0.129 4.223 4.350 0.004 0.000 0.194 13 E C 2.178 178.828 176.600 0.083 0.000 0.989 13 E CA 1.119 57.555 56.400 0.060 0.000 0.824 13 E CB -0.197 29.577 29.700 0.124 0.000 0.756 13 E HN 0.796 nan 8.360 nan 0.000 0.477 14 S N 0.544 116.300 115.700 0.094 0.000 2.469 14 S HA -0.088 4.384 4.470 0.004 0.000 0.238 14 S C 1.989 176.634 174.600 0.076 0.000 0.998 14 S CA 0.786 59.045 58.200 0.098 0.000 0.957 14 S CB 0.069 63.342 63.200 0.120 0.000 0.764 14 S HN 0.162 nan 8.310 nan 0.000 0.514 15 V N 0.458 120.407 119.914 0.058 0.000 3.406 15 V HA 0.410 4.532 4.120 0.004 0.000 0.263 15 V C 0.245 176.361 176.094 0.037 0.000 1.172 15 V CA 0.149 62.476 62.300 0.045 0.000 1.140 15 V CB -0.370 31.473 31.823 0.034 0.000 0.784 15 V HN 0.496 nan 8.190 nan 0.000 0.467 16 I N 0.647 121.240 120.570 0.038 0.000 2.353 16 I HA 0.468 4.641 4.170 0.004 0.000 0.293 16 I C 1.512 177.650 176.117 0.036 0.000 0.992 16 I CA 0.458 61.777 61.300 0.032 0.000 1.268 16 I CB 1.470 39.486 38.000 0.028 0.000 1.387 16 I HN 0.104 nan 8.210 nan 0.000 0.478 17 A N 4.075 126.912 122.820 0.029 0.000 1.892 17 A HA -0.202 4.121 4.320 0.004 0.000 0.218 17 A C 2.257 179.859 177.584 0.030 0.000 1.188 17 A CA 2.448 54.501 52.037 0.028 0.000 0.631 17 A CB -0.839 18.174 19.000 0.021 0.000 0.822 17 A HN 0.771 nan 8.150 nan 0.000 0.447 18 S N -0.491 115.226 115.700 0.028 0.000 2.419 18 S HA -0.108 4.364 4.470 0.004 0.000 0.235 18 S C 1.491 176.114 174.600 0.039 0.000 1.019 18 S CA 1.755 59.972 58.200 0.029 0.000 0.982 18 S CB -0.414 62.802 63.200 0.027 0.000 0.789 18 S HN 0.723 nan 8.310 nan 0.000 0.490 19 T N 0.844 115.427 114.554 0.048 0.000 3.054 19 T HA 0.499 4.851 4.350 0.004 0.000 0.255 19 T C 1.850 176.592 174.700 0.069 0.000 1.035 19 T CA 0.370 62.509 62.100 0.066 0.000 0.941 19 T CB 0.178 69.099 68.868 0.088 0.000 1.026 19 T HN 0.367 nan 8.240 nan 0.000 0.533 20 A N 2.403 125.257 122.820 0.057 0.000 1.873 20 A HA -0.111 4.211 4.320 0.004 0.000 0.218 20 A C 2.582 180.203 177.584 0.061 0.000 1.193 20 A CA 2.467 54.541 52.037 0.062 0.000 0.629 20 A CB -1.107 17.923 19.000 0.050 0.000 0.826 20 A HN 0.555 nan 8.150 nan 0.000 0.447 21 K N -1.526 118.901 120.400 0.045 0.000 2.062 21 K HA -0.028 4.294 4.320 0.004 0.000 0.205 21 K C 2.156 178.770 176.600 0.023 0.000 1.051 21 K CA 1.979 58.287 56.287 0.035 0.000 0.941 21 K CB -1.736 30.778 32.500 0.024 0.000 0.719 21 K HN 0.482 nan 8.250 nan 0.000 0.440 22 T N 1.115 115.683 114.554 0.023 0.000 2.607 22 T HA -0.188 4.165 4.350 0.004 0.000 0.267 22 T C 2.356 177.039 174.700 -0.029 0.000 1.049 22 T CA 2.071 64.172 62.100 0.002 0.000 1.162 22 T CB -0.435 68.456 68.868 0.039 0.000 0.863 22 T HN 0.565 nan 8.240 nan 0.000 0.424 23 S N 0.829 116.554 115.700 0.042 0.000 2.359 23 S HA -0.191 4.282 4.470 0.004 0.000 0.223 23 S C 2.019 176.612 174.600 -0.011 0.000 1.039 23 S CA 1.453 59.691 58.200 0.063 0.000 1.042 23 S CB -0.459 62.828 63.200 0.146 0.000 0.915 23 S HN 0.565 nan 8.310 nan 0.000 0.439 24 E N 0.802 121.031 120.200 0.048 0.000 2.070 24 E HA -0.223 4.129 4.350 0.004 0.000 0.197 24 E C 2.322 178.933 176.600 0.019 0.000 1.004 24 E CA 0.935 57.391 56.400 0.094 0.000 0.805 24 E CB 0.035 29.806 29.700 0.119 0.000 0.744 24 E HN 0.182 nan 8.360 nan 0.000 0.451 25 R N 0.728 121.207 120.500 -0.034 0.000 2.083 25 R HA -0.103 4.239 4.340 0.004 0.000 0.237 25 R C 1.972 178.176 176.300 -0.159 0.000 1.137 25 R CA 1.045 57.101 56.100 -0.073 0.000 0.951 25 R CB -1.274 28.982 30.300 -0.075 0.000 0.851 25 R HN 0.304 nan 8.270 nan 0.000 0.434 26 N N 0.644 119.170 118.700 -0.291 0.000 2.120 26 N HA -0.115 4.627 4.740 0.004 0.000 0.188 26 N C 1.746 177.040 175.510 -0.360 0.000 1.024 26 N CA 0.838 53.595 53.050 -0.488 0.000 0.852 26 N CB -0.178 37.603 38.487 -1.177 0.000 1.003 26 N HN 0.053 nan 8.380 nan 0.000 0.424 27 L N 1.549 122.611 121.223 -0.268 0.000 2.046 27 L HA -0.065 4.277 4.340 0.004 0.000 0.208 27 L C 2.247 178.976 176.870 -0.235 0.000 1.077 27 L CA 1.286 55.977 54.840 -0.249 0.000 0.747 27 L CB -1.039 40.800 42.059 -0.367 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 R N 0.090 120.545 120.500 -0.076 0.000 2.096 28 R HA -0.188 4.154 4.340 0.004 0.000 0.235 28 R C 2.162 178.384 176.300 -0.130 0.000 1.127 28 R CA 1.355 57.437 56.100 -0.030 0.000 0.968 28 R CB -0.595 29.721 30.300 0.026 0.000 0.861 28 R HN 0.585 nan 8.270 nan 0.000 0.440 29 Q N 0.650 120.358 119.800 -0.152 0.000 2.083 29 Q HA -0.027 4.315 4.340 0.004 0.000 0.198 29 Q C 1.972 177.861 176.000 -0.184 0.000 0.969 29 Q CA 1.463 57.182 55.803 -0.141 0.000 0.838 29 Q CB -0.637 28.024 28.738 -0.128 0.000 0.900 29 Q HN 0.324 nan 8.270 nan 0.000 0.436 30 L N 0.655 121.730 121.223 -0.247 0.000 2.201 30 L HA -0.086 4.256 4.340 0.004 0.000 0.212 30 L C 2.579 179.115 176.870 -0.558 0.000 1.105 30 L CA 1.537 56.227 54.840 -0.251 0.000 0.775 30 L CB -0.483 41.501 42.059 -0.125 0.000 0.913 30 L HN 0.480 nan 8.230 nan 0.000 0.440 31 E N -0.037 119.663 120.200 -0.833 0.000 2.204 31 E HA -0.205 4.148 4.350 0.004 0.000 0.195 31 E C 1.796 178.206 176.600 -0.317 0.000 0.990 31 E CA 1.536 57.322 56.400 -1.024 0.000 0.821 31 E CB 0.125 29.535 29.700 -0.484 0.000 0.750 31 E HN 0.380 nan 8.360 nan 0.000 0.477 32 T N 0.712 115.161 114.554 -0.175 0.000 2.881 32 T HA -0.196 4.156 4.350 0.004 0.000 0.270 32 T C 0.852 175.552 174.700 -0.000 0.000 1.068 32 T CA 0.730 62.804 62.100 -0.045 0.000 1.131 32 T CB -0.140 68.703 68.868 -0.042 0.000 0.871 32 T HN 0.317 nan 8.240 nan 0.000 0.479 33 Q N 1.921 121.715 119.800 -0.011 0.000 2.361 33 Q HA -0.011 4.331 4.340 0.004 0.000 0.276 33 Q C -1.171 174.897 176.000 0.113 0.000 1.022 33 Q CA -0.120 55.715 55.803 0.054 0.000 0.898 33 Q CB 0.346 29.131 28.738 0.077 0.000 1.246 33 Q HN 0.231 nan 8.270 nan 0.000 0.410 34 D N 2.614 123.073 120.400 0.098 0.000 2.348 34 D HA 0.351 4.993 4.640 0.004 0.000 0.253 34 D C 0.668 177.044 176.300 0.127 0.000 1.161 34 D CA 1.309 55.377 54.000 0.113 0.000 0.876 34 D CB 1.021 41.865 40.800 0.073 0.000 1.160 34 D HN 0.811 nan 8.370 nan 0.000 0.459 35 G N 1.695 110.592 108.800 0.163 0.000 2.179 35 G HA2 -0.340 3.622 3.960 0.004 0.000 0.220 35 G HA3 -0.340 3.622 3.960 0.004 0.000 0.220 35 G C 0.862 175.848 174.900 0.143 0.000 0.990 35 G CA -0.060 45.120 45.100 0.133 0.000 0.646 35 G HN 0.482 nan 8.290 nan 0.000 0.517 36 F N 2.273 122.238 119.950 0.025 0.000 2.192 36 F HA 0.040 4.569 4.527 0.003 0.000 0.301 36 F C 2.335 178.082 175.800 -0.088 0.000 1.079 36 F CA 2.858 60.827 58.000 -0.053 0.000 1.303 36 F CB -0.426 38.513 39.000 -0.101 0.000 1.024 36 F HN 0.200 nan 8.300 nan 0.000 0.494 37 G N 0.525 109.349 108.800 0.041 0.000 2.459 37 G HA2 -0.246 3.716 3.960 0.004 0.000 0.217 37 G HA3 -0.246 3.716 3.960 0.004 0.000 0.217 37 G C 1.747 176.684 174.900 0.061 0.000 1.183 37 G CA 1.141 46.322 45.100 0.135 0.000 0.776 37 G HN 0.436 nan 8.290 nan 0.000 0.552 38 L N 0.474 121.723 121.223 0.043 0.000 2.141 38 L HA -0.055 4.287 4.340 0.004 0.000 0.209 38 L C 3.143 179.947 176.870 -0.110 0.000 1.094 38 L CA 1.350 56.173 54.840 -0.027 0.000 0.763 38 L CB -0.639 41.421 42.059 0.002 0.000 0.908 38 L HN 0.166 nan 8.230 nan 0.000 0.437 39 T N 0.191 114.650 114.554 -0.158 0.000 2.788 39 T HA -0.143 4.209 4.350 0.004 0.000 0.268 39 T C 1.979 176.522 174.700 -0.261 0.000 1.044 39 T CA 1.117 63.102 62.100 -0.191 0.000 1.139 39 T CB -0.173 68.566 68.868 -0.216 0.000 0.867 39 T HN 0.199 nan 8.240 nan 0.000 0.454 40 L N 0.407 121.383 121.223 -0.412 0.000 2.046 40 L HA -0.028 4.314 4.340 0.004 0.000 0.208 40 L C 2.440 179.133 176.870 -0.293 0.000 1.077 40 L CA 1.082 55.703 54.840 -0.364 0.000 0.747 40 L CB -0.527 41.355 42.059 -0.294 0.000 0.896 40 L HN 0.273 nan 8.230 nan 0.000 0.432 41 L N -1.211 119.801 121.223 -0.352 0.000 2.131 41 L HA -0.262 4.080 4.340 0.004 0.000 0.210 41 L C 2.510 179.289 176.870 -0.152 0.000 1.092 41 L CA 1.098 55.730 54.840 -0.347 0.000 0.759 41 L CB -0.628 41.228 42.059 -0.337 0.000 0.903 41 L HN 0.314 nan 8.230 nan 0.000 0.435 42 H N -0.963 117.992 119.070 -0.192 0.000 2.436 42 H HA -0.059 4.499 4.556 0.004 0.000 0.294 42 H C 2.119 177.373 175.328 -0.124 0.000 1.048 42 H CA 1.019 56.987 56.048 -0.134 0.000 1.353 42 H CB 0.185 29.883 29.762 -0.107 0.000 1.414 42 H HN -0.051 nan 8.280 nan 0.000 0.536 43 V N 0.317 120.181 119.914 -0.083 0.000 2.295 43 V HA -0.236 3.887 4.120 0.004 0.000 0.246 43 V C 2.332 178.350 176.094 -0.127 0.000 1.049 43 V CA 1.904 64.140 62.300 -0.107 0.000 1.024 43 V CB -0.442 31.315 31.823 -0.110 0.000 0.648 43 V HN 0.411 nan 8.190 nan 0.000 0.447 44 I N 0.468 120.955 120.570 -0.138 0.000 2.264 44 I HA -0.240 3.932 4.170 0.004 0.000 0.248 44 I C 2.470 178.507 176.117 -0.133 0.000 1.111 44 I CA 1.572 62.798 61.300 -0.123 0.000 1.382 44 I CB -0.467 37.448 38.000 -0.143 0.000 1.060 44 I HN 0.290 nan 8.210 nan 0.000 0.418 45 A N -0.486 122.225 122.820 -0.180 0.000 2.119 45 A HA 0.026 4.348 4.320 0.004 0.000 0.216 45 A C 1.493 178.947 177.584 -0.217 0.000 1.152 45 A CA 0.302 52.218 52.037 -0.201 0.000 0.708 45 A CB -0.313 18.532 19.000 -0.259 0.000 0.805 45 A HN 0.292 nan 8.150 nan 0.000 0.460 46 S N 1.268 116.835 115.700 -0.222 0.000 2.670 46 S HA 0.112 4.584 4.470 0.004 0.000 0.328 46 S C 1.091 175.623 174.600 -0.114 0.000 1.179 46 S CA 0.142 58.235 58.200 -0.179 0.000 1.194 46 S CB 0.230 63.343 63.200 -0.146 0.000 1.359 46 S HN 0.488 nan 8.310 nan 0.000 0.555 47 T N 3.260 117.753 114.554 -0.103 0.000 2.977 47 T HA -0.106 4.246 4.350 0.004 0.000 0.271 47 T C 1.986 176.652 174.700 -0.057 0.000 1.105 47 T CA 1.214 63.271 62.100 -0.072 0.000 1.116 47 T CB -0.285 68.545 68.868 -0.063 0.000 0.878 47 T HN 0.759 nan 8.240 nan 0.000 0.509 48 N N 0.513 119.177 118.700 -0.059 0.000 2.412 48 N HA 0.021 4.763 4.740 0.004 0.000 0.184 48 N C 0.150 175.633 175.510 -0.045 0.000 1.101 48 N CA 0.087 53.109 53.050 -0.046 0.000 0.881 48 N CB -0.224 38.237 38.487 -0.043 0.000 0.969 48 N HN 0.233 nan 8.380 nan 0.000 0.459 49 L N 2.321 123.513 121.223 -0.051 0.000 2.375 49 L HA 0.448 4.790 4.340 0.004 0.000 0.271 49 L C -1.985 174.861 176.870 -0.040 0.000 1.107 49 L CA -2.342 52.470 54.840 -0.047 0.000 0.806 49 L CB 0.574 42.600 42.059 -0.055 0.000 1.146 49 L HN -0.001 nan 8.230 nan 0.000 0.447 50 P HA 0.065 nan 4.420 nan 0.000 0.268 50 P C 1.108 178.394 177.300 -0.024 0.000 1.205 50 P CA -0.165 62.919 63.100 -0.027 0.000 0.771 50 P CB 0.693 32.379 31.700 -0.024 0.000 0.858 51 L N 2.138 123.350 121.223 -0.020 0.000 2.034 51 L HA -0.307 4.035 4.340 0.004 0.000 0.217 51 L C 2.681 179.545 176.870 -0.009 0.000 1.077 51 L CA 2.663 57.494 54.840 -0.016 0.000 0.769 51 L CB -1.322 40.730 42.059 -0.012 0.000 0.890 51 L HN 0.482 nan 8.230 nan 0.000 0.435 52 S N -1.782 113.915 115.700 -0.005 0.000 2.399 52 S HA -0.177 4.295 4.470 0.004 0.000 0.231 52 S C 1.885 176.489 174.600 0.007 0.000 1.022 52 S CA 1.651 59.854 58.200 0.005 0.000 0.983 52 S CB -0.739 62.465 63.200 0.006 0.000 0.803 52 S HN 0.401 nan 8.310 nan 0.000 0.480 53 T N 2.107 116.658 114.554 -0.005 0.000 2.777 53 T HA 0.041 4.394 4.350 0.004 0.000 0.266 53 T C 1.985 176.681 174.700 -0.008 0.000 1.040 53 T CA 1.317 63.412 62.100 -0.009 0.000 1.141 53 T CB -0.237 68.615 68.868 -0.027 0.000 0.868 53 T HN 0.443 nan 8.240 nan 0.000 0.444 54 R N 0.357 120.847 120.500 -0.017 0.000 2.096 54 R HA 0.020 4.363 4.340 0.004 0.000 0.235 54 R C 2.316 178.617 176.300 0.002 0.000 1.127 54 R CA 0.848 56.934 56.100 -0.023 0.000 0.968 54 R CB -0.475 29.804 30.300 -0.036 0.000 0.861 54 R HN 0.210 nan 8.270 nan 0.000 0.440 55 L N 0.516 121.747 121.223 0.013 0.000 2.056 55 L HA -0.009 4.333 4.340 0.004 0.000 0.207 55 L C 2.135 179.042 176.870 0.062 0.000 1.078 55 L CA 1.873 56.731 54.840 0.031 0.000 0.749 55 L CB -0.679 41.395 42.059 0.025 0.000 0.901 55 L HN 0.118 nan 8.230 nan 0.000 0.433 56 A N -0.514 122.344 122.820 0.064 0.000 1.933 56 A HA -0.059 4.263 4.320 0.004 0.000 0.218 56 A C 2.309 179.981 177.584 0.147 0.000 1.175 56 A CA 1.509 53.609 52.037 0.105 0.000 0.628 56 A CB -1.490 17.559 19.000 0.082 0.000 0.814 56 A HN 0.534 nan 8.150 nan 0.000 0.444 57 G N -0.676 108.177 108.800 0.090 0.000 2.394 57 G HA2 0.072 4.034 3.960 0.004 0.000 0.215 57 G HA3 0.072 4.034 3.960 0.004 0.000 0.215 57 G C 1.735 176.731 174.900 0.160 0.000 1.165 57 G CA 1.254 46.410 45.100 0.092 0.000 0.784 57 G HN 0.751 nan 8.290 nan 0.000 0.535 58 A N 0.587 123.475 122.820 0.114 0.000 1.902 58 A HA 0.119 4.441 4.320 0.004 0.000 0.217 58 A C 2.428 180.133 177.584 0.201 0.000 1.181 58 A CA 1.176 53.297 52.037 0.139 0.000 0.623 58 A CB -0.417 18.626 19.000 0.072 0.000 0.818 58 A HN 0.341 nan 8.150 nan 0.000 0.443 59 L N -2.358 118.965 121.223 0.166 0.000 2.046 59 L HA -0.147 4.195 4.340 0.004 0.000 0.208 59 L C 2.470 179.452 176.870 0.187 0.000 1.077 59 L CA 1.479 56.407 54.840 0.147 0.000 0.747 59 L CB -0.470 41.661 42.059 0.120 0.000 0.896 59 L HN 0.477 nan 8.230 nan 0.000 0.432 60 F N -0.255 119.776 119.950 0.136 0.000 2.146 60 F HA -0.285 4.245 4.527 0.004 0.000 0.298 60 F C 2.340 178.276 175.800 0.226 0.000 1.096 60 F CA 1.400 59.502 58.000 0.171 0.000 1.275 60 F CB -0.209 38.895 39.000 0.174 0.000 1.008 60 F HN -0.030 nan 8.300 nan 0.000 0.480 61 F N 1.199 121.317 119.950 0.281 0.000 2.134 61 F HA -0.192 4.337 4.527 0.004 0.000 0.299 61 F C 2.462 178.371 175.800 0.183 0.000 1.097 61 F CA 2.097 60.226 58.000 0.215 0.000 1.264 61 F CB -0.671 38.386 39.000 0.097 0.000 1.001 61 F HN -0.125 nan 8.300 nan 0.000 0.479 62 K N 0.162 120.609 120.400 0.079 0.000 2.032 62 K HA -0.212 4.110 4.320 0.004 0.000 0.209 62 K C 1.817 178.339 176.600 -0.129 0.000 1.048 62 K CA 1.793 58.040 56.287 -0.066 0.000 0.927 62 K CB -0.295 32.219 32.500 0.022 0.000 0.712 62 K HN 0.268 nan 8.250 nan 0.000 0.441 63 N N 0.065 118.704 118.700 -0.101 0.000 2.459 63 N HA -0.130 4.613 4.740 0.004 0.000 0.181 63 N C 1.496 176.911 175.510 -0.158 0.000 1.046 63 N CA 0.668 53.627 53.050 -0.151 0.000 0.904 63 N CB -0.143 38.228 38.487 -0.194 0.000 0.964 63 N HN 0.201 nan 8.380 nan 0.000 0.444 64 F N 1.848 121.619 119.950 -0.298 0.000 2.163 64 F HA -0.014 4.515 4.527 0.004 0.000 0.297 64 F C 1.979 177.685 175.800 -0.156 0.000 1.094 64 F CA 0.738 58.622 58.000 -0.194 0.000 1.290 64 F CB -0.073 38.907 39.000 -0.034 0.000 1.017 64 F HN -0.165 nan 8.300 nan 0.000 0.483 65 I N 0.907 121.321 120.570 -0.259 0.000 2.226 65 I HA -0.262 3.910 4.170 0.004 0.000 0.245 65 I C 2.172 178.178 176.117 -0.184 0.000 1.100 65 I CA 1.462 62.581 61.300 -0.302 0.000 1.374 65 I CB -1.303 36.418 38.000 -0.465 0.000 1.057 65 I HN 0.213 nan 8.210 nan 0.000 0.413 66 K N 0.102 120.398 120.400 -0.172 0.000 2.211 66 K HA -0.086 4.236 4.320 0.004 0.000 0.203 66 K C 2.173 178.710 176.600 -0.105 0.000 1.050 66 K CA 0.870 57.090 56.287 -0.113 0.000 0.945 66 K CB 0.023 32.460 32.500 -0.105 0.000 0.732 66 K HN 0.336 nan 8.250 nan 0.000 0.451 67 R N 0.446 120.853 120.500 -0.156 0.000 2.128 67 R HA 0.058 4.400 4.340 0.004 0.000 0.211 67 R C 1.081 177.272 176.300 -0.182 0.000 1.067 67 R CA 0.786 56.796 56.100 -0.150 0.000 1.010 67 R CB 0.237 30.448 30.300 -0.148 0.000 0.922 67 R HN -0.000 nan 8.270 nan 0.000 0.457 68 K N -0.606 119.607 120.400 -0.311 0.000 2.592 68 K HA 0.069 4.391 4.320 0.004 0.000 0.203 68 K C 0.629 177.118 176.600 -0.185 0.000 1.070 68 K CA -0.329 55.770 56.287 -0.313 0.000 1.062 68 K CB 0.600 32.775 32.500 -0.541 0.000 0.814 68 K HN 0.216 nan 8.250 nan 0.000 0.502 69 W N 2.049 123.187 121.300 -0.270 0.000 2.441 69 W HA -0.016 4.646 4.660 0.003 0.000 0.302 69 W C 0.231 176.735 176.519 -0.024 0.000 1.191 69 W CA 1.097 58.351 57.345 -0.152 0.000 1.327 69 W CB 0.689 30.072 29.460 -0.127 0.000 1.128 69 W HN -0.165 nan 8.180 nan 0.000 0.522 70 V N -0.342 119.611 119.914 0.065 0.000 3.087 70 V HA 0.353 4.475 4.120 0.004 0.000 0.306 70 V C -0.608 175.472 176.094 -0.023 0.000 1.187 70 V CA -1.041 61.246 62.300 -0.022 0.000 0.999 70 V CB 1.481 33.330 31.823 0.042 0.000 1.049 70 V HN 0.075 nan 8.190 nan 0.000 0.431 71 D N 0.987 121.356 120.400 -0.052 0.000 2.453 71 D HA 0.283 4.925 4.640 0.004 0.000 0.282 71 D C 0.911 177.194 176.300 -0.028 0.000 1.222 71 D CA -0.280 53.696 54.000 -0.042 0.000 1.079 71 D CB 0.241 41.011 40.800 -0.050 0.000 1.128 71 D HN 0.458 nan 8.370 nan 0.000 0.568 72 E N -0.569 119.616 120.200 -0.026 0.000 2.394 72 E HA -0.117 4.235 4.350 0.004 0.000 0.202 72 E C 0.248 176.838 176.600 -0.016 0.000 1.029 72 E CA 0.806 57.196 56.400 -0.017 0.000 0.855 72 E CB -0.639 29.051 29.700 -0.017 0.000 0.770 72 E HN 0.590 nan 8.360 nan 0.000 0.527 73 N N -2.675 116.007 118.700 -0.029 0.000 2.831 73 N HA 0.146 4.889 4.740 0.004 0.000 0.276 73 N C 1.109 176.583 175.510 -0.061 0.000 1.416 73 N CA -0.010 53.020 53.050 -0.034 0.000 0.799 73 N CB 0.389 38.853 38.487 -0.038 0.000 1.554 73 N HN -0.155 nan 8.380 nan 0.000 0.541 74 G N -0.278 108.477 108.800 -0.076 0.000 2.564 74 G HA2 -0.235 3.727 3.960 0.004 0.000 0.217 74 G HA3 -0.235 3.727 3.960 0.004 0.000 0.217 74 G C 0.233 174.954 174.900 -0.298 0.000 1.120 74 G CA 0.269 45.278 45.100 -0.153 0.000 0.752 74 G HN 0.634 nan 8.290 nan 0.000 0.558 75 N N 1.870 120.446 118.700 -0.207 0.000 2.417 75 N HA -0.012 4.730 4.740 0.004 0.000 0.272 75 N C -0.101 175.263 175.510 -0.243 0.000 1.304 75 N CA 0.383 53.304 53.050 -0.216 0.000 0.906 75 N CB 0.135 38.549 38.487 -0.122 0.000 1.135 75 N HN 0.265 nan 8.380 nan 0.000 0.483 76 H N 2.045 120.977 119.070 -0.230 0.000 2.815 76 H HA 0.047 4.605 4.556 0.004 0.000 0.350 76 H C 1.236 176.387 175.328 -0.296 0.000 1.080 76 H CA 0.091 55.902 56.048 -0.394 0.000 1.433 76 H CB 1.203 30.669 29.762 -0.493 0.000 1.432 76 H HN 0.417 nan 8.280 nan 0.000 0.592 77 L N 3.337 124.450 121.223 -0.183 0.000 2.700 77 L HA 0.229 4.571 4.340 0.004 0.000 0.234 77 L C 0.076 176.868 176.870 -0.131 0.000 1.156 77 L CA 0.340 55.099 54.840 -0.135 0.000 0.946 77 L CB 0.132 42.116 42.059 -0.125 0.000 1.216 77 L HN 0.201 nan 8.230 nan 0.000 0.493 78 L N 0.148 121.255 121.223 -0.193 0.000 2.371 78 L HA 0.519 4.862 4.340 0.004 0.000 0.262 78 L C -2.298 174.485 176.870 -0.144 0.000 1.006 78 L CA -1.920 52.832 54.840 -0.146 0.000 0.818 78 L CB 2.342 44.294 42.059 -0.178 0.000 1.354 78 L HN -0.182 nan 8.230 nan 0.000 0.415 79 P HA 0.024 nan 4.420 nan 0.000 0.267 79 P C 0.180 177.424 177.300 -0.094 0.000 1.205 79 P CA -0.211 62.852 63.100 -0.061 0.000 0.765 79 P CB 1.239 32.926 31.700 -0.022 0.000 0.828 80 A N 3.695 126.462 122.820 -0.087 0.000 2.285 80 A HA -0.199 4.123 4.320 0.004 0.000 0.214 80 A C 1.635 179.181 177.584 -0.063 0.000 1.188 80 A CA 1.219 53.197 52.037 -0.099 0.000 0.707 80 A CB -1.021 17.955 19.000 -0.040 0.000 0.771 80 A HN 0.488 nan 8.150 nan 0.000 0.488 81 N N 0.423 119.099 118.700 -0.040 0.000 2.278 81 N HA -0.060 4.682 4.740 0.004 0.000 0.181 81 N C 1.355 176.864 175.510 -0.002 0.000 1.023 81 N CA 1.254 54.297 53.050 -0.013 0.000 0.862 81 N CB -0.320 38.166 38.487 -0.002 0.000 1.003 81 N HN 0.475 nan 8.380 nan 0.000 0.431 82 N N 0.540 119.241 118.700 0.002 0.000 2.216 82 N HA -0.038 4.705 4.740 0.004 0.000 0.183 82 N C 1.773 177.313 175.510 0.050 0.000 1.017 82 N CA 0.463 53.539 53.050 0.045 0.000 0.861 82 N CB -0.517 38.017 38.487 0.079 0.000 0.986 82 N HN -0.005 nan 8.380 nan 0.000 0.428 83 V N 1.989 121.873 119.914 -0.051 0.000 2.282 83 V HA -0.242 3.881 4.120 0.004 0.000 0.249 83 V C 2.119 178.200 176.094 -0.022 0.000 1.057 83 V CA 1.763 63.987 62.300 -0.125 0.000 1.032 83 V CB -0.514 31.018 31.823 -0.484 0.000 0.645 83 V HN 0.342 nan 8.190 nan 0.000 0.447 84 E N -0.544 119.631 120.200 -0.042 0.000 2.152 84 E HA -0.174 4.178 4.350 0.004 0.000 0.192 84 E C 2.071 178.687 176.600 0.026 0.000 0.983 84 E CA 0.934 57.325 56.400 -0.015 0.000 0.818 84 E CB -0.154 29.546 29.700 -0.001 0.000 0.758 84 E HN 0.416 nan 8.360 nan 0.000 0.467 85 L N 1.103 122.350 121.223 0.040 0.000 2.027 85 L HA -0.113 4.230 4.340 0.004 0.000 0.206 85 L C 1.998 178.913 176.870 0.075 0.000 1.074 85 L CA 1.465 56.337 54.840 0.055 0.000 0.745 85 L CB -0.270 41.818 42.059 0.048 0.000 0.898 85 L HN 0.097 nan 8.230 nan 0.000 0.433 86 I N -0.447 120.188 120.570 0.109 0.000 2.208 86 I HA -0.352 3.820 4.170 0.004 0.000 0.245 86 I C 2.367 178.538 176.117 0.090 0.000 1.097 86 I CA 1.469 62.853 61.300 0.139 0.000 1.363 86 I CB -0.346 37.819 38.000 0.274 0.000 1.051 86 I HN 0.269 nan 8.210 nan 0.000 0.413 87 K N 0.575 120.988 120.400 0.022 0.000 2.147 87 K HA -0.165 4.158 4.320 0.004 0.000 0.205 87 K C 2.057 178.790 176.600 0.223 0.000 1.049 87 K CA 1.132 57.409 56.287 -0.016 0.000 0.936 87 K CB -0.050 32.255 32.500 -0.325 0.000 0.722 87 K HN 0.338 nan 8.250 nan 0.000 0.446 88 K N 0.759 121.249 120.400 0.149 0.000 2.076 88 K HA -0.086 4.236 4.320 0.004 0.000 0.204 88 K C 1.834 178.509 176.600 0.124 0.000 1.051 88 K CA 1.072 57.450 56.287 0.151 0.000 0.949 88 K CB 0.139 32.702 32.500 0.104 0.000 0.726 88 K HN 0.175 nan 8.250 nan 0.000 0.443 89 E N 0.609 120.865 120.200 0.095 0.000 2.230 89 E HA -0.084 4.268 4.350 0.004 0.000 0.192 89 E C 1.866 178.501 176.600 0.058 0.000 0.987 89 E CA 0.142 56.579 56.400 0.062 0.000 0.841 89 E CB 0.053 29.773 29.700 0.033 0.000 0.783 89 E HN 0.120 nan 8.360 nan 0.000 0.481 90 I N 0.799 121.427 120.570 0.095 0.000 2.118 90 I HA -0.307 3.865 4.170 0.004 0.000 0.241 90 I C 2.069 178.240 176.117 0.090 0.000 1.070 90 I CA 1.323 62.683 61.300 0.099 0.000 1.327 90 I CB -0.106 38.009 38.000 0.191 0.000 1.034 90 I HN -0.089 nan 8.210 nan 0.000 0.405 91 V N 1.273 121.260 119.914 0.122 0.000 2.261 91 V HA -0.165 3.958 4.120 0.004 0.000 0.246 91 V C -0.132 175.983 176.094 0.035 0.000 1.047 91 V CA 2.383 64.722 62.300 0.065 0.000 1.015 91 V CB -2.146 29.711 31.823 0.057 0.000 0.642 91 V HN 0.329 nan 8.190 nan 0.000 0.446 92 P HA -0.156 nan 4.420 nan 0.000 0.216 92 P C 1.891 179.194 177.300 0.005 0.000 1.150 92 P CA 1.162 64.274 63.100 0.021 0.000 0.837 92 P CB -0.083 31.634 31.700 0.029 0.000 0.786 93 L N -1.169 120.054 121.223 0.000 0.000 2.017 93 L HA -0.146 4.196 4.340 0.004 0.000 0.208 93 L C 2.235 179.088 176.870 -0.027 0.000 1.073 93 L CA 1.953 56.778 54.840 -0.027 0.000 0.745 93 L CB -1.404 40.624 42.059 -0.053 0.000 0.894 93 L HN -0.074 nan 8.230 nan 0.000 0.432 94 M N -0.697 118.895 119.600 -0.014 0.000 2.082 94 M HA -0.276 4.206 4.480 0.004 0.000 0.258 94 M C 2.305 178.596 176.300 -0.015 0.000 1.069 94 M CA 2.255 57.548 55.300 -0.013 0.000 1.102 94 M CB -0.410 32.188 32.600 -0.004 0.000 1.336 94 M HN 0.409 nan 8.290 nan 0.000 0.404 95 I N 0.164 120.728 120.570 -0.010 0.000 2.286 95 I HA -0.263 3.909 4.170 0.004 0.000 0.248 95 I C 2.356 178.465 176.117 -0.014 0.000 1.115 95 I CA 1.524 62.818 61.300 -0.010 0.000 1.392 95 I CB -0.430 37.566 38.000 -0.006 0.000 1.065 95 I HN 0.421 nan 8.210 nan 0.000 0.418 96 S N 0.518 116.207 115.700 -0.018 0.000 2.555 96 S HA 0.098 4.570 4.470 0.004 0.000 0.230 96 S C 0.764 175.347 174.600 -0.029 0.000 0.978 96 S CA 0.085 58.271 58.200 -0.024 0.000 0.934 96 S CB -0.628 62.555 63.200 -0.029 0.000 0.766 96 S HN 0.240 nan 8.310 nan 0.000 0.533 97 L N 2.497 123.703 121.223 -0.029 0.000 2.379 97 L HA 0.493 4.835 4.340 0.004 0.000 0.269 97 L C -2.009 174.848 176.870 -0.022 0.000 1.084 97 L CA -2.610 52.212 54.840 -0.030 0.000 0.802 97 L CB 0.624 42.663 42.059 -0.033 0.000 1.175 97 L HN 0.040 nan 8.230 nan 0.000 0.448 98 P HA 0.090 nan 4.420 nan 0.000 0.274 98 P C -0.111 177.181 177.300 -0.012 0.000 1.256 98 P CA -0.381 62.710 63.100 -0.015 0.000 0.795 98 P CB 0.826 32.516 31.700 -0.016 0.000 1.038 99 N N 1.469 120.164 118.700 -0.009 0.000 2.058 99 N HA -0.270 4.472 4.740 0.004 0.000 0.200 99 N C 1.637 177.143 175.510 -0.006 0.000 1.033 99 N CA 2.321 55.367 53.050 -0.007 0.000 0.880 99 N CB -0.869 37.615 38.487 -0.004 0.000 1.069 99 N HN 0.474 nan 8.380 nan 0.000 0.461 100 N N -1.008 117.690 118.700 -0.004 0.000 2.205 100 N HA -0.100 4.642 4.740 0.004 0.000 0.186 100 N C 1.487 176.997 175.510 0.001 0.000 1.015 100 N CA 0.761 53.810 53.050 -0.001 0.000 0.862 100 N CB 0.022 38.510 38.487 0.001 0.000 0.986 100 N HN 0.276 nan 8.380 nan 0.000 0.429 101 L N 0.267 121.488 121.223 -0.003 0.000 2.127 101 L HA -0.084 4.258 4.340 0.004 0.000 0.203 101 L C 2.613 179.481 176.870 -0.003 0.000 1.080 101 L CA 0.574 55.412 54.840 -0.003 0.000 0.768 101 L CB -0.606 41.444 42.059 -0.015 0.000 0.924 101 L HN 0.241 nan 8.230 nan 0.000 0.444 102 Q N 0.606 120.401 119.800 -0.009 0.000 2.077 102 Q HA -0.216 4.127 4.340 0.004 0.000 0.206 102 Q C 2.192 178.187 176.000 -0.008 0.000 0.989 102 Q CA 2.349 58.146 55.803 -0.010 0.000 0.853 102 Q CB -0.086 28.644 28.738 -0.013 0.000 0.907 102 Q HN 0.303 nan 8.270 nan 0.000 0.418 103 V N 1.209 121.118 119.914 -0.008 0.000 2.490 103 V HA -0.257 3.865 4.120 0.004 0.000 0.250 103 V C 2.434 178.523 176.094 -0.007 0.000 1.061 103 V CA 1.822 64.114 62.300 -0.013 0.000 1.064 103 V CB -0.535 31.279 31.823 -0.014 0.000 0.670 103 V HN 0.449 nan 8.190 nan 0.000 0.461 104 Q N -0.774 119.031 119.800 0.009 0.000 2.123 104 Q HA -0.063 4.279 4.340 0.004 0.000 0.199 104 Q C 2.280 178.310 176.000 0.050 0.000 0.966 104 Q CA 1.220 57.040 55.803 0.027 0.000 0.845 104 Q CB -0.277 28.489 28.738 0.046 0.000 0.907 104 Q HN 0.470 nan 8.270 nan 0.000 0.439 105 I N 0.297 120.895 120.570 0.047 0.000 2.315 105 I HA -0.105 4.067 4.170 0.004 0.000 0.248 105 I C 2.284 178.426 176.117 0.041 0.000 1.117 105 I CA 1.253 62.596 61.300 0.071 0.000 1.404 105 I CB -1.671 36.345 38.000 0.027 0.000 1.071 105 I HN 0.150 nan 8.210 nan 0.000 0.419 106 G N 0.507 109.308 108.800 0.001 0.000 2.440 106 G HA2 -0.231 3.731 3.960 0.004 0.000 0.218 106 G HA3 -0.231 3.731 3.960 0.004 0.000 0.218 106 G C 1.592 176.462 174.900 -0.051 0.000 1.154 106 G CA 0.388 45.467 45.100 -0.035 0.000 0.767 106 G HN 0.290 nan 8.290 nan 0.000 0.552 107 E N 0.727 120.905 120.200 -0.037 0.000 2.106 107 E HA -0.047 4.305 4.350 0.004 0.000 0.192 107 E C 2.950 179.519 176.600 -0.053 0.000 0.984 107 E CA 0.970 57.337 56.400 -0.055 0.000 0.806 107 E CB -0.428 29.248 29.700 -0.041 0.000 0.750 107 E HN 0.345 nan 8.360 nan 0.000 0.458 108 A N 1.084 123.900 122.820 -0.006 0.000 1.902 108 A HA -0.156 4.166 4.320 0.004 0.000 0.217 108 A C 2.320 179.872 177.584 -0.053 0.000 1.181 108 A CA 1.156 53.178 52.037 -0.025 0.000 0.623 108 A CB -0.648 18.438 19.000 0.142 0.000 0.818 108 A HN 0.200 nan 8.150 nan 0.000 0.443 109 I N -0.101 120.477 120.570 0.014 0.000 2.226 109 I HA -0.243 3.929 4.170 0.004 0.000 0.245 109 I C 2.656 178.767 176.117 -0.010 0.000 1.100 109 I CA 1.460 62.800 61.300 0.067 0.000 1.374 109 I CB -0.334 37.686 38.000 0.032 0.000 1.057 109 I HN 0.229 nan 8.210 nan 0.000 0.413 110 S N 0.366 116.006 115.700 -0.100 0.000 2.368 110 S HA -0.168 4.304 4.470 0.004 0.000 0.225 110 S C 2.210 176.746 174.600 -0.106 0.000 1.030 110 S CA 1.721 59.832 58.200 -0.148 0.000 0.999 110 S CB -0.252 62.843 63.200 -0.174 0.000 0.844 110 S HN 0.395 nan 8.310 nan 0.000 0.459 111 S N 1.620 117.251 115.700 -0.116 0.000 2.382 111 S HA 0.004 4.476 4.470 0.004 0.000 0.228 111 S C 1.787 176.294 174.600 -0.155 0.000 1.027 111 S CA 1.012 59.136 58.200 -0.127 0.000 0.991 111 S CB -0.417 62.686 63.200 -0.163 0.000 0.823 111 S HN 0.423 nan 8.310 nan 0.000 0.469 112 I N 1.601 122.028 120.570 -0.238 0.000 2.252 112 I HA -0.177 3.996 4.170 0.004 0.000 0.245 112 I C 2.734 178.888 176.117 0.063 0.000 1.102 112 I CA 1.023 62.104 61.300 -0.365 0.000 1.385 112 I CB -0.549 37.111 38.000 -0.565 0.000 1.064 112 I HN 0.267 nan 8.210 nan 0.000 0.414 113 A N 0.310 123.235 122.820 0.175 0.000 1.902 113 A HA -0.292 4.030 4.320 0.004 0.000 0.217 113 A C 2.120 179.824 177.584 0.200 0.000 1.181 113 A CA 2.038 54.202 52.037 0.211 0.000 0.623 113 A CB -0.720 18.212 19.000 -0.113 0.000 0.818 113 A HN 0.420 nan 8.150 nan 0.000 0.443 114 D N -0.560 119.896 120.400 0.093 0.000 2.228 114 D HA -0.138 4.504 4.640 0.004 0.000 0.203 114 D C 1.984 178.379 176.300 0.158 0.000 0.988 114 D CA 1.663 55.725 54.000 0.103 0.000 0.864 114 D CB 0.107 40.927 40.800 0.033 0.000 0.928 114 D HN 0.444 nan 8.370 nan 0.000 0.469 115 S N -1.146 114.668 115.700 0.191 0.000 2.514 115 S HA 0.027 4.499 4.470 0.004 0.000 0.223 115 S C 0.440 175.219 174.600 0.299 0.000 1.046 115 S CA -0.052 58.289 58.200 0.235 0.000 0.914 115 S CB 0.486 63.865 63.200 0.298 0.000 0.807 115 S HN 0.040 nan 8.310 nan 0.000 0.497 116 D N 0.792 121.420 120.400 0.380 0.000 2.819 116 D HA 0.254 4.896 4.640 0.004 0.000 0.326 116 D C -0.176 176.473 176.300 0.580 0.000 1.408 116 D CA -0.300 53.964 54.000 0.441 0.000 0.811 116 D CB 0.202 41.293 40.800 0.486 0.000 1.148 116 D HN 0.257 nan 8.370 nan 0.000 0.457 117 F N 1.983 122.122 119.950 0.315 0.000 2.362 117 F HA 0.301 4.830 4.527 0.003 0.000 0.178 117 F C -1.623 174.331 175.800 0.257 0.000 0.735 117 F CA -0.750 57.431 58.000 0.303 0.000 1.023 117 F CB -1.173 37.967 39.000 0.234 0.000 2.259 117 F HN -0.254 nan 8.300 nan 0.000 0.720 118 P HA 0.003 nan 4.420 nan 0.000 0.261 118 P C -0.675 176.662 177.300 0.061 0.000 1.158 118 P CA 1.841 64.847 63.100 -0.156 0.000 0.758 118 P CB 0.171 31.728 31.700 -0.239 0.000 0.763 119 D N 1.066 121.521 120.400 0.091 0.000 1.839 119 D HA -0.137 4.505 4.640 0.004 0.000 0.189 119 D C 0.647 177.047 176.300 0.165 0.000 1.186 119 D CA 0.923 54.989 54.000 0.110 0.000 1.191 119 D CB -1.026 39.826 40.800 0.087 0.000 1.310 119 D HN 0.448 nan 8.370 nan 0.000 0.607 120 R N -1.306 119.346 120.500 0.254 0.000 2.549 120 R HA 0.257 4.599 4.340 0.004 0.000 0.399 120 R C -0.675 175.877 176.300 0.421 0.000 0.964 120 R CA -0.194 56.081 56.100 0.291 0.000 1.173 120 R CB 1.226 31.692 30.300 0.277 0.000 1.535 120 R HN 0.174 nan 8.270 nan 0.000 0.551 121 W N 1.035 122.485 121.300 0.249 0.000 1.086 121 W HA 0.327 4.990 4.660 0.004 0.000 0.321 121 W C -2.867 173.825 176.519 0.289 0.000 0.919 121 W CA -2.128 55.377 57.345 0.267 0.000 1.252 121 W CB 0.631 30.268 29.460 0.297 0.000 1.343 121 W HN -0.154 nan 8.180 nan 0.000 0.461 122 P HA -0.119 nan 4.420 nan 0.000 0.218 122 P C 1.641 179.073 177.300 0.220 0.000 1.149 122 P CA 2.238 65.497 63.100 0.265 0.000 0.817 122 P CB 0.338 32.157 31.700 0.198 0.000 0.785 123 T N -0.304 114.400 114.554 0.251 0.000 2.904 123 T HA -0.091 4.261 4.350 0.004 0.000 0.267 123 T C 1.624 176.330 174.700 0.011 0.000 1.059 123 T CA 0.508 62.705 62.100 0.162 0.000 1.137 123 T CB -0.832 68.181 68.868 0.242 0.000 0.879 123 T HN -0.027 nan 8.240 nan 0.000 0.467 124 L N 1.592 122.653 121.223 -0.270 0.000 2.011 124 L HA -0.184 4.158 4.340 0.004 0.000 0.225 124 L C 2.145 178.912 176.870 -0.171 0.000 1.084 124 L CA 1.821 56.303 54.840 -0.597 0.000 0.791 124 L CB -0.942 40.397 42.059 -1.199 0.000 0.898 124 L HN 0.269 nan 8.230 nan 0.000 0.440 125 L N -1.388 119.890 121.223 0.093 0.000 2.043 125 L HA -0.282 4.060 4.340 0.004 0.000 0.212 125 L C 2.463 179.423 176.870 0.149 0.000 1.075 125 L CA 1.634 56.665 54.840 0.319 0.000 0.752 125 L CB -0.800 41.538 42.059 0.464 0.000 0.891 125 L HN 0.295 nan 8.230 nan 0.000 0.432 126 S N -0.477 115.262 115.700 0.065 0.000 2.345 126 S HA -0.179 4.293 4.470 0.004 0.000 0.220 126 S C 1.562 176.146 174.600 -0.027 0.000 1.031 126 S CA 1.325 59.525 58.200 -0.001 0.000 0.996 126 S CB -0.346 62.867 63.200 0.022 0.000 0.882 126 S HN 0.441 nan 8.310 nan 0.000 0.445 127 D N 1.767 122.158 120.400 -0.015 0.000 2.154 127 D HA -0.146 4.496 4.640 0.004 0.000 0.190 127 D C 1.946 178.226 176.300 -0.033 0.000 1.003 127 D CA 1.138 55.127 54.000 -0.019 0.000 0.849 127 D CB -0.590 40.197 40.800 -0.023 0.000 0.942 127 D HN 0.318 nan 8.370 nan 0.000 0.446 128 L N 0.633 121.836 121.223 -0.033 0.000 1.994 128 L HA -0.137 4.205 4.340 0.004 0.000 0.208 128 L C 2.705 179.549 176.870 -0.043 0.000 1.071 128 L CA 1.313 56.153 54.840 -0.001 0.000 0.745 128 L CB -0.607 41.509 42.059 0.095 0.000 0.892 128 L HN -0.026 nan 8.230 nan 0.000 0.431 129 A N 0.448 123.157 122.820 -0.184 0.000 1.902 129 A HA -0.225 4.097 4.320 0.004 0.000 0.217 129 A C 2.444 179.919 177.584 -0.182 0.000 1.181 129 A CA 2.013 53.821 52.037 -0.381 0.000 0.623 129 A CB -0.867 17.719 19.000 -0.690 0.000 0.818 129 A HN 0.529 nan 8.150 nan 0.000 0.443 130 S N -1.060 114.568 115.700 -0.120 0.000 2.584 130 S HA -0.059 4.413 4.470 0.004 0.000 0.240 130 S C 1.458 176.032 174.600 -0.043 0.000 0.975 130 S CA 0.799 58.958 58.200 -0.069 0.000 0.949 130 S CB -0.250 62.924 63.200 -0.042 0.000 0.761 130 S HN 0.496 nan 8.310 nan 0.000 0.536 131 R N 0.230 120.706 120.500 -0.040 0.000 2.308 131 R HA 0.430 4.772 4.340 0.004 0.000 0.202 131 R C 0.292 176.585 176.300 -0.012 0.000 0.898 131 R CA -0.088 56.001 56.100 -0.019 0.000 1.046 131 R CB -0.424 29.870 30.300 -0.011 0.000 1.026 131 R HN 0.437 nan 8.270 nan 0.000 0.512 132 L N 1.909 123.121 121.223 -0.018 0.000 2.417 132 L HA 0.179 4.521 4.340 0.004 0.000 0.268 132 L C 0.434 177.301 176.870 -0.004 0.000 1.158 132 L CA -0.002 54.838 54.840 0.001 0.000 0.819 132 L CB 0.934 42.999 42.059 0.010 0.000 1.112 132 L HN 0.061 nan 8.230 nan 0.000 0.458 133 S N -0.026 115.676 115.700 0.004 0.000 2.550 133 S HA 0.342 4.814 4.470 0.004 0.000 0.270 133 S C -0.007 174.595 174.600 0.003 0.000 1.145 133 S CA -1.046 57.154 58.200 0.000 0.000 0.852 133 S CB 1.483 64.683 63.200 -0.002 0.000 1.119 133 S HN 0.543 nan 8.310 nan 0.000 0.465 134 N N 1.748 120.448 118.700 0.000 0.000 2.459 134 N HA -0.071 4.671 4.740 0.004 0.000 0.181 134 N C 0.992 176.502 175.510 -0.000 0.000 1.046 134 N CA 1.418 54.468 53.050 -0.001 0.000 0.904 134 N CB -0.360 38.125 38.487 -0.002 0.000 0.964 134 N HN 0.857 nan 8.380 nan 0.000 0.444 135 D N 0.756 121.156 120.400 0.001 0.000 2.196 135 D HA -0.122 4.520 4.640 0.004 0.000 0.228 135 D C 0.337 176.639 176.300 0.003 0.000 1.028 135 D CA 0.312 54.314 54.000 0.002 0.000 0.924 135 D CB -1.120 39.681 40.800 0.002 0.000 1.025 135 D HN -0.131 nan 8.370 nan 0.000 0.438 136 D N 0.154 120.556 120.400 0.003 0.000 2.359 136 D HA -0.028 4.614 4.640 0.004 0.000 0.273 136 D C 0.445 176.748 176.300 0.005 0.000 1.362 136 D CA 0.095 54.097 54.000 0.004 0.000 1.010 136 D CB 0.098 40.900 40.800 0.003 0.000 1.090 136 D HN 0.139 nan 8.370 nan 0.000 0.521 137 M N 3.472 123.075 119.600 0.006 0.000 2.571 137 M HA 0.023 4.505 4.480 0.004 0.000 0.235 137 M C 0.829 177.134 176.300 0.008 0.000 1.216 137 M CA -0.070 55.233 55.300 0.006 0.000 0.979 137 M CB 0.710 33.311 32.600 0.002 0.000 1.616 137 M HN 0.266 nan 8.290 nan 0.000 0.469 138 V N -0.972 118.946 119.914 0.007 0.000 2.788 138 V HA -0.048 4.074 4.120 0.004 0.000 0.241 138 V C 2.120 178.217 176.094 0.005 0.000 1.083 138 V CA 1.348 63.652 62.300 0.006 0.000 1.103 138 V CB 0.087 31.913 31.823 0.004 0.000 0.800 138 V HN 0.357 nan 8.190 nan 0.000 0.476 139 T N 0.816 115.373 114.554 0.005 0.000 2.867 139 T HA -0.111 4.241 4.350 0.004 0.000 0.268 139 T C 1.820 176.527 174.700 0.011 0.000 1.057 139 T CA 1.271 63.373 62.100 0.004 0.000 1.136 139 T CB -0.260 68.610 68.868 0.003 0.000 0.874 139 T HN 0.378 nan 8.240 nan 0.000 0.466 140 N N 1.855 120.565 118.700 0.016 0.000 2.106 140 N HA -0.088 4.654 4.740 0.004 0.000 0.188 140 N C 1.938 177.468 175.510 0.033 0.000 1.029 140 N CA 1.183 54.252 53.050 0.031 0.000 0.848 140 N CB -0.312 38.194 38.487 0.031 0.000 1.007 140 N HN 0.626 nan 8.380 nan 0.000 0.423 141 K N 0.435 120.847 120.400 0.019 0.000 2.074 141 K HA -0.085 4.237 4.320 0.004 0.000 0.209 141 K C 2.125 178.728 176.600 0.006 0.000 1.048 141 K CA 1.757 58.052 56.287 0.013 0.000 0.926 141 K CB -0.782 31.721 32.500 0.005 0.000 0.713 141 K HN 0.064 nan 8.250 nan 0.000 0.444 142 G N 1.414 110.215 108.800 0.002 0.000 2.421 142 G HA2 -0.200 3.763 3.960 0.004 0.000 0.216 142 G HA3 -0.200 3.763 3.960 0.004 0.000 0.216 142 G C 1.612 176.504 174.900 -0.014 0.000 1.171 142 G CA 1.015 46.109 45.100 -0.009 0.000 0.775 142 G HN 0.189 nan 8.290 nan 0.000 0.543 143 V N 1.044 120.959 119.914 0.002 0.000 2.343 143 V HA -0.111 4.011 4.120 0.004 0.000 0.247 143 V C 2.923 179.026 176.094 0.015 0.000 1.051 143 V CA 1.440 63.745 62.300 0.007 0.000 1.036 143 V CB -0.429 31.415 31.823 0.035 0.000 0.654 143 V HN 0.339 nan 8.190 nan 0.000 0.451 144 L N -0.406 120.846 121.223 0.048 0.000 2.083 144 L HA -0.158 4.184 4.340 0.004 0.000 0.209 144 L C 2.605 179.462 176.870 -0.022 0.000 1.083 144 L CA 1.781 56.658 54.840 0.062 0.000 0.752 144 L CB -1.078 41.045 42.059 0.106 0.000 0.899 144 L HN 0.339 nan 8.230 nan 0.000 0.433 145 T N -0.404 114.133 114.554 -0.029 0.000 2.788 145 T HA -0.149 4.203 4.350 0.004 0.000 0.268 145 T C 2.025 176.657 174.700 -0.113 0.000 1.044 145 T CA 1.294 63.370 62.100 -0.040 0.000 1.139 145 T CB -0.165 68.682 68.868 -0.034 0.000 0.867 145 T HN 0.065 nan 8.240 nan 0.000 0.454 146 V N 1.653 121.478 119.914 -0.150 0.000 2.270 146 V HA -0.148 3.974 4.120 0.004 0.000 0.245 146 V C 2.909 178.744 176.094 -0.432 0.000 1.043 146 V CA 1.672 63.828 62.300 -0.240 0.000 1.014 146 V CB -1.278 30.426 31.823 -0.199 0.000 0.645 146 V HN 0.519 nan 8.190 nan 0.000 0.447 147 A N -0.239 122.293 122.820 -0.480 0.000 1.892 147 A HA -0.355 3.967 4.320 0.004 0.000 0.218 147 A C 2.141 179.014 177.584 -1.186 0.000 1.188 147 A CA 2.636 54.060 52.037 -1.023 0.000 0.631 147 A CB -0.947 17.662 19.000 -0.652 0.000 0.822 147 A HN 0.769 nan 8.150 nan 0.000 0.447 148 H N 0.045 118.722 119.070 -0.655 0.000 2.387 148 H HA -0.021 4.537 4.556 0.003 0.000 0.299 148 H C 2.171 177.222 175.328 -0.462 0.000 1.090 148 H CA 1.802 57.556 56.048 -0.491 0.000 1.332 148 H CB -0.241 29.348 29.762 -0.288 0.000 1.386 148 H HN 0.380 nan 8.280 nan 0.000 0.516 149 S N -0.019 115.355 115.700 -0.544 0.000 2.383 149 S HA -0.075 4.397 4.470 0.004 0.000 0.227 149 S C 2.064 176.357 174.600 -0.512 0.000 1.026 149 S CA 1.108 59.007 58.200 -0.503 0.000 0.981 149 S CB -0.047 62.953 63.200 -0.334 0.000 0.818 149 S HN 0.366 nan 8.310 nan 0.000 0.472 150 I N 0.766 120.959 120.570 -0.627 0.000 2.193 150 I HA -0.057 4.115 4.170 0.004 0.000 0.240 150 I C 1.955 177.753 176.117 -0.531 0.000 1.084 150 I CA 1.407 62.370 61.300 -0.562 0.000 1.365 150 I CB -1.634 35.913 38.000 -0.755 0.000 1.064 150 I HN 0.323 nan 8.210 nan 0.000 0.410 151 F N 1.924 121.365 119.950 -0.848 0.000 2.293 151 F HA -0.170 4.360 4.527 0.003 0.000 0.300 151 F C 2.421 177.516 175.800 -1.174 0.000 1.086 151 F CA 0.444 57.544 58.000 -1.501 0.000 1.375 151 F CB -0.364 37.790 39.000 -1.409 0.000 1.045 151 F HN 0.168 nan 8.300 nan 0.000 0.516 152 K N 1.398 121.448 120.400 -0.584 0.000 2.515 152 K HA -0.088 4.235 4.320 0.004 0.000 0.196 152 K C 1.465 177.908 176.600 -0.262 0.000 1.038 152 K CA 0.794 56.840 56.287 -0.401 0.000 0.967 152 K CB -0.334 31.808 32.500 -0.596 0.000 0.780 152 K HN 0.228 nan 8.250 nan 0.000 0.483 153 R N -0.208 120.110 120.500 -0.303 0.000 2.316 153 R HA -0.020 4.322 4.340 0.004 0.000 0.202 153 R C 1.012 177.365 176.300 0.088 0.000 1.029 153 R CA 0.698 56.731 56.100 -0.112 0.000 1.018 153 R CB -0.020 30.233 30.300 -0.078 0.000 0.888 153 R HN 0.382 nan 8.270 nan 0.000 0.471 154 W N 0.825 122.139 121.300 0.024 0.000 2.576 154 W HA 0.095 4.757 4.660 0.003 0.000 0.270 154 W C 1.711 178.244 176.519 0.023 0.000 1.255 154 W CA -0.044 57.321 57.345 0.034 0.000 1.314 154 W CB -0.489 28.990 29.460 0.033 0.000 1.101 154 W HN 0.054 nan 8.180 nan 0.000 0.595 155 R N 0.487 121.116 120.500 0.216 0.000 2.096 155 R HA -0.165 4.177 4.340 0.004 0.000 0.240 155 R C -0.056 176.286 176.300 0.069 0.000 1.139 155 R CA 1.806 57.996 56.100 0.150 0.000 0.952 155 R CB -2.076 28.285 30.300 0.102 0.000 0.854 155 R HN 0.154 nan 8.270 nan 0.000 0.436 156 P HA 0.059 nan 4.420 nan 0.000 0.255 156 P C 0.122 177.310 177.300 -0.187 0.000 1.248 156 P CA 0.404 63.456 63.100 -0.080 0.000 0.807 156 P CB 0.206 31.859 31.700 -0.079 0.000 1.150 157 L N -0.229 120.942 121.223 -0.086 0.000 2.453 157 L HA 0.271 4.613 4.340 0.004 0.000 0.261 157 L C 0.737 177.517 176.870 -0.149 0.000 1.179 157 L CA -0.773 53.994 54.840 -0.122 0.000 0.813 157 L CB -0.022 42.077 42.059 0.067 0.000 1.110 157 L HN -0.188 nan 8.230 nan 0.000 0.466 158 F N 0.698 120.684 119.950 0.059 0.000 2.384 158 F HA 0.317 4.846 4.527 0.003 0.000 0.338 158 F C 0.887 176.694 175.800 0.012 0.000 1.103 158 F CA -0.533 57.485 58.000 0.029 0.000 1.157 158 F CB 0.798 39.801 39.000 0.005 0.000 1.167 158 F HN 0.467 nan 8.300 nan 0.000 0.529 159 R N 2.170 122.777 120.500 0.179 0.000 2.698 159 R HA 0.308 4.650 4.340 0.004 0.000 0.266 159 R C -0.644 175.564 176.300 -0.154 0.000 1.026 159 R CA 0.291 56.367 56.100 -0.039 0.000 1.102 159 R CB 0.505 30.695 30.300 -0.183 0.000 0.978 159 R HN 0.864 nan 8.270 nan 0.000 0.436 160 S N 1.459 116.976 115.700 -0.305 0.000 2.567 160 S HA 0.146 4.618 4.470 0.004 0.000 0.270 160 S C -0.321 174.113 174.600 -0.277 0.000 1.152 160 S CA -0.993 57.074 58.200 -0.223 0.000 0.835 160 S CB 1.588 64.751 63.200 -0.061 0.000 1.115 160 S HN 0.647 nan 8.310 nan 0.000 0.459 161 D N 1.290 121.578 120.400 -0.185 0.000 2.097 161 D HA -0.083 4.559 4.640 0.004 0.000 0.195 161 D C 1.615 177.901 176.300 -0.023 0.000 0.989 161 D CA 1.767 55.701 54.000 -0.110 0.000 0.827 161 D CB -0.174 40.581 40.800 -0.075 0.000 0.966 161 D HN 0.797 nan 8.370 nan 0.000 0.456 162 E N 0.338 120.525 120.200 -0.022 0.000 2.118 162 E HA -0.177 4.175 4.350 0.004 0.000 0.195 162 E C 2.116 178.723 176.600 0.011 0.000 0.992 162 E CA 0.431 56.830 56.400 -0.001 0.000 0.804 162 E CB -0.086 29.616 29.700 0.004 0.000 0.741 162 E HN 0.134 nan 8.360 nan 0.000 0.458 163 L N 0.154 121.398 121.223 0.034 0.000 2.072 163 L HA -0.085 4.257 4.340 0.004 0.000 0.205 163 L C 1.909 178.818 176.870 0.065 0.000 1.079 163 L CA 1.548 56.415 54.840 0.045 0.000 0.752 163 L CB -0.307 41.812 42.059 0.101 0.000 0.906 163 L HN -0.034 nan 8.230 nan 0.000 0.436 164 F N -0.535 119.304 119.950 -0.185 0.000 2.293 164 F HA -0.091 4.438 4.527 0.003 0.000 0.300 164 F C 2.252 177.933 175.800 -0.198 0.000 1.086 164 F CA 0.828 58.703 58.000 -0.209 0.000 1.375 164 F CB -0.841 38.078 39.000 -0.135 0.000 1.045 164 F HN 0.055 nan 8.300 nan 0.000 0.516 165 L N -0.327 120.915 121.223 0.031 0.000 2.027 165 L HA -0.213 4.129 4.340 0.004 0.000 0.206 165 L C 2.519 179.324 176.870 -0.109 0.000 1.074 165 L CA 1.786 56.604 54.840 -0.036 0.000 0.745 165 L CB -0.703 41.343 42.059 -0.022 0.000 0.898 165 L HN 0.133 nan 8.230 nan 0.000 0.433 166 E N 0.962 121.085 120.200 -0.130 0.000 2.058 166 E HA -0.264 4.088 4.350 0.004 0.000 0.194 166 E C 2.247 178.692 176.600 -0.258 0.000 0.997 166 E CA 1.587 57.880 56.400 -0.178 0.000 0.801 166 E CB -0.135 29.494 29.700 -0.118 0.000 0.746 166 E HN 0.477 nan 8.360 nan 0.000 0.450 167 I N 0.679 120.964 120.570 -0.475 0.000 2.361 167 I HA -0.252 3.920 4.170 0.004 0.000 0.251 167 I C 2.524 178.405 176.117 -0.393 0.000 1.133 167 I CA 1.075 61.938 61.300 -0.729 0.000 1.413 167 I CB -0.198 37.178 38.000 -1.039 0.000 1.073 167 I HN 0.112 nan 8.210 nan 0.000 0.424 168 K N 0.358 120.593 120.400 -0.274 0.000 2.025 168 K HA -0.198 4.124 4.320 0.004 0.000 0.207 168 K C 2.108 178.631 176.600 -0.128 0.000 1.049 168 K CA 1.210 57.389 56.287 -0.180 0.000 0.933 168 K CB -0.347 32.082 32.500 -0.118 0.000 0.714 168 K HN 0.099 nan 8.250 nan 0.000 0.438 169 L N 1.355 122.514 121.223 -0.107 0.000 1.997 169 L HA -0.233 4.109 4.340 0.004 0.000 0.216 169 L C 2.108 178.977 176.870 -0.001 0.000 1.074 169 L CA 1.634 56.441 54.840 -0.055 0.000 0.763 169 L CB -0.501 41.508 42.059 -0.083 0.000 0.890 169 L HN -0.062 nan 8.230 nan 0.000 0.434 170 V N -0.554 119.355 119.914 -0.008 0.000 2.295 170 V HA -0.314 3.808 4.120 0.004 0.000 0.246 170 V C 2.558 178.654 176.094 0.003 0.000 1.049 170 V CA 2.016 64.348 62.300 0.054 0.000 1.024 170 V CB -0.554 31.243 31.823 -0.044 0.000 0.648 170 V HN 0.450 nan 8.190 nan 0.000 0.447 171 L N -0.153 120.981 121.223 -0.148 0.000 2.079 171 L HA -0.203 4.139 4.340 0.004 0.000 0.210 171 L C 2.334 179.076 176.870 -0.213 0.000 1.081 171 L CA 1.494 56.170 54.840 -0.273 0.000 0.752 171 L CB -0.768 41.120 42.059 -0.285 0.000 0.896 171 L HN 0.371 nan 8.230 nan 0.000 0.433 172 D N -0.529 119.802 120.400 -0.115 0.000 2.218 172 D HA -0.130 4.512 4.640 0.004 0.000 0.204 172 D C 2.161 178.426 176.300 -0.058 0.000 0.976 172 D CA 1.090 55.036 54.000 -0.090 0.000 0.853 172 D CB 0.145 40.917 40.800 -0.047 0.000 0.939 172 D HN 0.213 nan 8.370 nan 0.000 0.481 173 V N -0.330 119.606 119.914 0.037 0.000 2.575 173 V HA -0.050 4.072 4.120 0.004 0.000 0.242 173 V C 1.734 177.786 176.094 -0.070 0.000 1.045 173 V CA 0.798 63.120 62.300 0.035 0.000 1.065 173 V CB -0.274 31.658 31.823 0.181 0.000 0.717 173 V HN 0.004 nan 8.190 nan 0.000 0.467 174 F N 1.174 121.064 119.950 -0.101 0.000 2.530 174 F HA 0.000 4.530 4.527 0.004 0.000 0.292 174 F C 2.636 178.308 175.800 -0.214 0.000 1.109 174 F CA 0.985 58.943 58.000 -0.071 0.000 1.450 174 F CB -1.333 37.697 39.000 0.049 0.000 1.114 174 F HN 0.232 nan 8.300 nan 0.000 0.560 175 T N -0.686 113.646 114.554 -0.370 0.000 2.592 175 T HA -0.360 3.992 4.350 0.004 0.000 0.267 175 T C 2.261 176.607 174.700 -0.591 0.000 1.060 175 T CA 1.603 63.159 62.100 -0.907 0.000 1.167 175 T CB -1.137 66.757 68.868 -1.623 0.000 0.863 175 T HN 0.197 nan 8.240 nan 0.000 0.431 176 A N 3.215 125.823 122.820 -0.354 0.000 1.845 176 A HA 0.068 4.390 4.320 0.004 0.000 0.215 176 A C 0.644 178.223 177.584 -0.007 0.000 1.195 176 A CA 1.638 53.616 52.037 -0.098 0.000 0.616 176 A CB -1.684 17.276 19.000 -0.066 0.000 0.832 176 A HN 0.517 nan 8.150 nan 0.000 0.443 177 P HA -0.147 nan 4.420 nan 0.000 0.215 177 P C 1.464 178.848 177.300 0.140 0.000 1.153 177 P CA 1.047 64.161 63.100 0.022 0.000 0.853 177 P CB -0.157 31.506 31.700 -0.062 0.000 0.788 178 F N 0.602 120.591 119.950 0.065 0.000 2.046 178 F HA -0.203 4.326 4.527 0.003 0.000 0.297 178 F C 2.052 177.972 175.800 0.200 0.000 1.123 178 F CA 1.399 59.521 58.000 0.204 0.000 1.199 178 F CB -1.261 37.914 39.000 0.291 0.000 0.972 178 F HN -0.234 nan 8.300 nan 0.000 0.474 179 L N 1.240 122.527 121.223 0.106 0.000 2.012 179 L HA -0.268 4.074 4.340 0.004 0.000 0.210 179 L C 2.164 179.021 176.870 -0.022 0.000 1.073 179 L CA 2.075 56.932 54.840 0.029 0.000 0.748 179 L CB -1.278 40.928 42.059 0.244 0.000 0.891 179 L HN 0.144 nan 8.230 nan 0.000 0.431 180 N N -0.293 118.421 118.700 0.024 0.000 2.069 180 N HA -0.222 4.520 4.740 0.004 0.000 0.191 180 N C 1.827 177.325 175.510 -0.020 0.000 1.031 180 N CA 1.787 54.841 53.050 0.005 0.000 0.852 180 N CB -0.725 37.772 38.487 0.016 0.000 1.018 180 N HN 0.331 nan 8.380 nan 0.000 0.423 181 L N 0.982 122.196 121.223 -0.015 0.000 2.083 181 L HA -0.035 4.308 4.340 0.004 0.000 0.209 181 L C 2.017 178.846 176.870 -0.068 0.000 1.083 181 L CA 1.131 55.960 54.840 -0.018 0.000 0.752 181 L CB -0.848 41.232 42.059 0.034 0.000 0.899 181 L HN 0.105 nan 8.230 nan 0.000 0.433 182 L N -0.320 120.816 121.223 -0.145 0.000 2.046 182 L HA -0.215 4.127 4.340 0.004 0.000 0.208 182 L C 2.434 179.234 176.870 -0.116 0.000 1.077 182 L CA 1.852 56.584 54.840 -0.181 0.000 0.747 182 L CB -0.763 41.113 42.059 -0.305 0.000 0.896 182 L HN 0.271 nan 8.230 nan 0.000 0.432 183 K N -1.310 119.038 120.400 -0.086 0.000 2.057 183 K HA -0.121 4.201 4.320 0.004 0.000 0.207 183 K C 1.857 178.433 176.600 -0.039 0.000 1.049 183 K CA 1.834 58.088 56.287 -0.055 0.000 0.931 183 K CB -0.459 32.019 32.500 -0.036 0.000 0.714 183 K HN 0.392 nan 8.250 nan 0.000 0.440 184 T N 1.309 115.841 114.554 -0.038 0.000 2.746 184 T HA -0.128 4.225 4.350 0.004 0.000 0.267 184 T C 2.078 176.755 174.700 -0.037 0.000 1.039 184 T CA 1.574 63.657 62.100 -0.028 0.000 1.142 184 T CB -0.344 68.512 68.868 -0.021 0.000 0.866 184 T HN 0.245 nan 8.240 nan 0.000 0.444 185 V N 1.222 121.099 119.914 -0.062 0.000 2.515 185 V HA -0.127 3.995 4.120 0.004 0.000 0.250 185 V C 2.140 178.173 176.094 -0.102 0.000 1.058 185 V CA 2.303 64.544 62.300 -0.098 0.000 1.064 185 V CB -0.758 30.977 31.823 -0.147 0.000 0.675 185 V HN 0.316 nan 8.190 nan 0.000 0.461 186 D N 0.797 121.166 120.400 -0.052 0.000 2.097 186 D HA -0.200 4.442 4.640 0.004 0.000 0.195 186 D C 2.004 178.339 176.300 0.057 0.000 0.989 186 D CA 2.227 56.261 54.000 0.055 0.000 0.827 186 D CB -0.249 40.616 40.800 0.107 0.000 0.966 186 D HN 0.749 nan 8.370 nan 0.000 0.456 187 E N 0.098 120.311 120.200 0.023 0.000 2.007 187 E HA -0.208 4.144 4.350 0.004 0.000 0.194 187 E C 2.373 178.989 176.600 0.026 0.000 0.999 187 E CA 0.917 57.332 56.400 0.024 0.000 0.811 187 E CB -0.329 29.375 29.700 0.008 0.000 0.762 187 E HN 0.410 nan 8.360 nan 0.000 0.450 188 Q N 0.375 120.180 119.800 0.008 0.000 2.325 188 Q HA -0.169 4.174 4.340 0.004 0.000 0.211 188 Q C 1.872 177.889 176.000 0.029 0.000 0.988 188 Q CA 0.813 56.622 55.803 0.011 0.000 0.887 188 Q CB -0.270 28.464 28.738 -0.006 0.000 0.915 188 Q HN 0.406 nan 8.270 nan 0.000 0.440 189 I N 0.741 121.327 120.570 0.026 0.000 3.492 189 I HA -0.146 4.026 4.170 0.004 0.000 0.305 189 I C 1.957 178.162 176.117 0.147 0.000 1.256 189 I CA 0.524 61.875 61.300 0.085 0.000 1.244 189 I CB -0.305 37.728 38.000 0.055 0.000 1.001 189 I HN 0.135 nan 8.210 nan 0.000 0.536 190 T N 0.299 114.908 114.554 0.092 0.000 3.085 190 T HA 0.104 4.456 4.350 0.004 0.000 0.263 190 T C 1.295 176.042 174.700 0.078 0.000 1.127 190 T CA 0.563 62.710 62.100 0.077 0.000 1.103 190 T CB -0.060 68.837 68.868 0.048 0.000 0.921 190 T HN 0.401 nan 8.240 nan 0.000 0.510 191 A N 2.025 124.898 122.820 0.089 0.000 3.074 191 A HA 0.262 4.584 4.320 0.004 0.000 0.251 191 A C 1.480 179.135 177.584 0.118 0.000 1.695 191 A CA -0.351 51.737 52.037 0.085 0.000 1.343 191 A CB -1.053 17.994 19.000 0.078 0.000 1.078 191 A HN 0.471 nan 8.150 nan 0.000 0.644 192 N N 0.297 119.064 118.700 0.112 0.000 2.731 192 N HA -0.111 4.631 4.740 0.004 0.000 0.199 192 N C -0.005 175.563 175.510 0.098 0.000 1.206 192 N CA 1.013 54.136 53.050 0.122 0.000 0.955 192 N CB 0.203 38.739 38.487 0.081 0.000 0.997 192 N HN 0.762 nan 8.380 nan 0.000 0.449 197 A N 1.208 124.051 122.820 0.038 0.000 1.908 197 A HA 0.031 4.354 4.320 0.004 0.000 0.217 197 A C 1.799 179.419 177.584 0.059 0.000 1.378 197 A CA 1.504 53.564 52.037 0.038 0.000 0.613 197 A CB -0.953 18.065 19.000 0.029 0.000 1.053 197 A HN 0.364 nan 8.150 nan 0.000 0.484 198 S N -0.268 115.470 115.700 0.063 0.000 2.462 198 S HA -0.142 4.330 4.470 0.004 0.000 0.243 198 S C 1.660 176.333 174.600 0.122 0.000 1.003 198 S CA 1.510 59.753 58.200 0.073 0.000 0.970 198 S CB -0.498 62.738 63.200 0.060 0.000 0.762 198 S HN 0.266 nan 8.310 nan 0.000 0.510 199 L N 2.706 124.027 121.223 0.162 0.000 2.007 199 L HA 0.075 4.417 4.340 0.004 0.000 0.205 199 L C 2.257 179.349 176.870 0.370 0.000 1.073 199 L CA 1.659 56.685 54.840 0.310 0.000 0.744 199 L CB -1.060 41.136 42.059 0.228 0.000 0.898 199 L HN 0.221 nan 8.230 nan 0.000 0.435 200 N N -0.070 118.732 118.700 0.169 0.000 2.192 200 N HA -0.181 4.561 4.740 0.004 0.000 0.188 200 N C 1.661 177.257 175.510 0.142 0.000 1.013 200 N CA 1.354 54.478 53.050 0.123 0.000 0.863 200 N CB -0.126 38.385 38.487 0.041 0.000 0.990 200 N HN 0.285 nan 8.380 nan 0.000 0.430 201 I N 0.789 121.429 120.570 0.116 0.000 2.617 201 I HA -0.089 4.083 4.170 0.004 0.000 0.256 201 I C 2.176 178.328 176.117 0.057 0.000 1.167 201 I CA 0.565 61.908 61.300 0.072 0.000 1.469 201 I CB -0.897 37.132 38.000 0.048 0.000 1.098 201 I HN 0.084 nan 8.210 nan 0.000 0.436 202 L N -0.898 120.370 121.223 0.076 0.000 2.127 202 L HA -0.071 4.271 4.340 0.004 0.000 0.203 202 L C 2.243 179.010 176.870 -0.172 0.000 1.080 202 L CA 0.919 55.719 54.840 -0.065 0.000 0.768 202 L CB -0.538 41.439 42.059 -0.136 0.000 0.924 202 L HN 0.027 nan 8.230 nan 0.000 0.444 203 F N -0.269 119.641 119.950 -0.067 0.000 2.604 203 F HA -0.134 4.395 4.527 0.003 0.000 0.298 203 F C 2.211 177.952 175.800 -0.097 0.000 1.131 203 F CA 0.801 58.732 58.000 -0.116 0.000 1.457 203 F CB -0.333 38.594 39.000 -0.122 0.000 1.095 203 F HN 0.118 nan 8.300 nan 0.000 0.574 204 D N -0.104 120.341 120.400 0.075 0.000 2.162 204 D HA -0.071 4.571 4.640 0.004 0.000 0.205 204 D C 2.440 178.733 176.300 -0.013 0.000 0.964 204 D CA 0.992 55.008 54.000 0.026 0.000 0.847 204 D CB 0.117 40.933 40.800 0.028 0.000 0.988 204 D HN 0.077 nan 8.370 nan 0.000 0.480 205 V N 1.650 121.549 119.914 -0.024 0.000 2.407 205 V HA -0.216 3.906 4.120 0.004 0.000 0.248 205 V C 2.564 178.634 176.094 -0.040 0.000 1.055 205 V CA 0.922 63.207 62.300 -0.025 0.000 1.049 205 V CB -0.431 31.375 31.823 -0.029 0.000 0.662 205 V HN 0.155 nan 8.190 nan 0.000 0.455 206 L N -0.069 121.090 121.223 -0.106 0.000 1.994 206 L HA -0.143 4.199 4.340 0.004 0.000 0.208 206 L C 2.256 179.080 176.870 -0.077 0.000 1.071 206 L CA 1.929 56.688 54.840 -0.135 0.000 0.745 206 L CB -0.830 41.039 42.059 -0.317 0.000 0.892 206 L HN 0.289 nan 8.230 nan 0.000 0.431 207 L N -1.040 120.136 121.223 -0.079 0.000 2.051 207 L HA -0.216 4.126 4.340 0.004 0.000 0.214 207 L C 2.330 179.136 176.870 -0.107 0.000 1.076 207 L CA 2.111 56.897 54.840 -0.089 0.000 0.758 207 L CB -0.696 41.321 42.059 -0.070 0.000 0.890 207 L HN 0.169 nan 8.230 nan 0.000 0.433 208 V N -0.791 119.073 119.914 -0.084 0.000 2.453 208 V HA -0.246 3.876 4.120 0.004 0.000 0.247 208 V C 2.513 178.593 176.094 -0.024 0.000 1.048 208 V CA 1.612 63.838 62.300 -0.124 0.000 1.049 208 V CB -0.566 31.213 31.823 -0.072 0.000 0.672 208 V HN 0.427 nan 8.190 nan 0.000 0.457 209 L N -0.478 120.810 121.223 0.108 0.000 2.046 209 L HA -0.166 4.176 4.340 0.004 0.000 0.208 209 L C 2.383 179.488 176.870 0.392 0.000 1.077 209 L CA 1.708 56.762 54.840 0.356 0.000 0.747 209 L CB -0.470 41.734 42.059 0.241 0.000 0.896 209 L HN 0.264 nan 8.230 nan 0.000 0.432 210 I N -0.340 120.307 120.570 0.128 0.000 2.286 210 I HA -0.286 3.886 4.170 0.004 0.000 0.248 210 I C 2.450 178.553 176.117 -0.023 0.000 1.115 210 I CA 1.325 62.589 61.300 -0.059 0.000 1.392 210 I CB -0.242 37.580 38.000 -0.296 0.000 1.065 210 I HN 0.216 nan 8.210 nan 0.000 0.418 211 K N 0.672 121.003 120.400 -0.116 0.000 2.062 211 K HA -0.068 4.254 4.320 0.004 0.000 0.205 211 K C 2.105 178.610 176.600 -0.157 0.000 1.051 211 K CA 1.108 57.250 56.287 -0.241 0.000 0.941 211 K CB -0.098 32.014 32.500 -0.646 0.000 0.719 211 K HN 0.258 nan 8.250 nan 0.000 0.440 212 L N -0.240 120.896 121.223 -0.145 0.000 2.093 212 L HA -0.183 4.160 4.340 0.004 0.000 0.208 212 L C 2.302 178.943 176.870 -0.382 0.000 1.085 212 L CA 1.083 55.733 54.840 -0.317 0.000 0.755 212 L CB -0.338 41.562 42.059 -0.265 0.000 0.904 212 L HN 0.183 nan 8.230 nan 0.000 0.435 213 Y N -0.970 119.373 120.300 0.072 0.000 2.207 213 Y HA -0.367 4.186 4.550 0.003 0.000 0.287 213 Y C 2.550 178.457 175.900 0.013 0.000 1.156 213 Y CA 1.844 60.088 58.100 0.240 0.000 1.182 213 Y CB -0.192 38.553 38.460 0.475 0.000 0.979 213 Y HN 0.115 nan 8.280 nan 0.000 0.521 214 Y N 0.587 120.937 120.300 0.083 0.000 2.200 214 Y HA -0.241 4.311 4.550 0.003 0.000 0.290 214 Y C 2.143 178.030 175.900 -0.021 0.000 1.137 214 Y CA 1.706 59.834 58.100 0.048 0.000 1.163 214 Y CB -0.285 38.177 38.460 0.003 0.000 0.988 214 Y HN 0.105 nan 8.280 nan 0.000 0.518 215 D N 0.118 120.584 120.400 0.110 0.000 2.133 215 D HA -0.242 4.400 4.640 0.004 0.000 0.195 215 D C 1.994 178.338 176.300 0.072 0.000 0.997 215 D CA 1.831 55.842 54.000 0.017 0.000 0.840 215 D CB -0.776 39.853 40.800 -0.285 0.000 0.947 215 D HN 0.448 nan 8.370 nan 0.000 0.452 216 F N 0.439 120.361 119.950 -0.046 0.000 2.365 216 F HA -0.009 4.520 4.527 0.003 0.000 0.300 216 F C 1.930 177.533 175.800 -0.329 0.000 1.090 216 F CA 0.370 58.250 58.000 -0.200 0.000 1.408 216 F CB 0.067 38.730 39.000 -0.561 0.000 1.060 216 F HN -0.055 nan 8.300 nan 0.000 0.534 217 N N -0.402 118.204 118.700 -0.157 0.000 2.184 217 N HA 0.024 4.766 4.740 0.004 0.000 0.206 217 N C 1.571 177.023 175.510 -0.096 0.000 1.151 217 N CA 0.560 53.498 53.050 -0.187 0.000 0.878 217 N CB 0.154 38.560 38.487 -0.135 0.000 1.014 217 N HN 0.345 nan 8.380 nan 0.000 0.512 218 C N -0.039 119.221 119.300 -0.066 0.000 2.446 218 C HA 0.143 4.605 4.460 0.004 0.000 0.279 218 C C 2.157 177.188 174.990 0.068 0.000 1.366 218 C CA 0.311 59.320 59.018 -0.015 0.000 1.763 218 C CB -0.264 27.580 27.740 0.172 0.000 1.929 218 C HN 0.231 nan 8.230 nan 0.000 0.509 219 Q N 0.504 120.333 119.800 0.049 0.000 2.324 219 Q HA 0.267 4.609 4.340 0.004 0.000 0.207 219 Q C -0.036 176.030 176.000 0.111 0.000 0.928 219 Q CA 1.122 56.977 55.803 0.087 0.000 0.890 219 Q CB 0.237 28.971 28.738 -0.007 0.000 1.001 219 Q HN 0.756 nan 8.270 nan 0.000 0.517 220 D N -1.369 119.031 120.400 -0.000 0.000 2.742 220 D HA 0.163 4.805 4.640 0.004 0.000 0.262 220 D C -1.467 174.673 176.300 -0.267 0.000 1.240 220 D CA -0.528 53.486 54.000 0.023 0.000 0.752 220 D CB 1.482 42.280 40.800 -0.004 0.000 1.290 220 D HN -0.004 nan 8.370 nan 0.000 0.420 221 I N 2.538 122.739 120.570 -0.615 0.000 2.294 221 I HA 0.318 4.490 4.170 0.004 0.000 0.295 221 I C -2.232 173.720 176.117 -0.275 0.000 1.098 221 I CA -1.496 59.356 61.300 -0.748 0.000 1.277 221 I CB 0.839 38.056 38.000 -1.306 0.000 1.434 221 I HN 0.053 nan 8.210 nan 0.000 0.498 222 P HA 0.007 nan 4.420 nan 0.000 0.267 222 P C 0.535 177.876 177.300 0.068 0.000 1.200 222 P CA -0.025 63.086 63.100 0.019 0.000 0.772 222 P CB 0.637 32.427 31.700 0.151 0.000 0.855 223 E N 1.637 121.851 120.200 0.023 0.000 2.086 223 E HA -0.272 4.080 4.350 0.004 0.000 0.200 223 E C 1.462 178.069 176.600 0.011 0.000 1.012 223 E CA 1.312 57.720 56.400 0.014 0.000 0.812 223 E CB -0.344 29.361 29.700 0.008 0.000 0.743 223 E HN 0.479 nan 8.360 nan 0.000 0.453 224 F N -0.087 119.786 119.950 -0.129 0.000 2.126 224 F HA -0.215 4.314 4.527 0.003 0.000 0.299 224 F C 1.721 177.338 175.800 -0.305 0.000 1.096 224 F CA 1.632 59.477 58.000 -0.258 0.000 1.255 224 F CB -0.257 38.485 39.000 -0.430 0.000 0.997 224 F HN 0.027 nan 8.300 nan 0.000 0.479 225 F N 0.283 120.297 119.950 0.107 0.000 2.456 225 F HA -0.040 4.489 4.527 0.004 0.000 0.298 225 F C 2.416 178.251 175.800 0.058 0.000 1.104 225 F CA 1.200 59.256 58.000 0.094 0.000 1.435 225 F CB -0.630 38.438 39.000 0.114 0.000 1.078 225 F HN 0.058 nan 8.300 nan 0.000 0.546 226 E N 0.653 120.924 120.200 0.119 0.000 2.028 226 E HA -0.197 4.155 4.350 0.004 0.000 0.191 226 E C 1.663 178.279 176.600 0.028 0.000 0.988 226 E CA 1.545 57.994 56.400 0.082 0.000 0.799 226 E CB -0.025 29.691 29.700 0.027 0.000 0.755 226 E HN 0.217 nan 8.360 nan 0.000 0.447 227 D N 0.666 121.018 120.400 -0.080 0.000 2.133 227 D HA -0.150 4.492 4.640 0.004 0.000 0.195 227 D C 1.046 177.248 176.300 -0.164 0.000 0.997 227 D CA 0.966 54.885 54.000 -0.135 0.000 0.840 227 D CB -0.318 40.354 40.800 -0.213 0.000 0.947 227 D HN 0.191 nan 8.370 nan 0.000 0.452 228 N N 0.541 119.074 118.700 -0.279 0.000 2.295 228 N HA 0.071 4.814 4.740 0.004 0.000 0.221 228 N C 1.531 177.054 175.510 0.021 0.000 1.129 228 N CA -0.119 52.799 53.050 -0.220 0.000 0.836 228 N CB 0.813 39.008 38.487 -0.487 0.000 1.040 228 N HN 0.269 nan 8.380 nan 0.000 0.494 229 I N 0.565 121.210 120.570 0.125 0.000 2.361 229 I HA -0.320 3.852 4.170 0.004 0.000 0.251 229 I C 2.344 178.589 176.117 0.213 0.000 1.133 229 I CA 1.368 62.834 61.300 0.277 0.000 1.413 229 I CB 0.363 38.573 38.000 0.350 0.000 1.073 229 I HN 0.008 nan 8.210 nan 0.000 0.424 230 Q N 0.062 119.938 119.800 0.127 0.000 2.084 230 Q HA -0.188 4.154 4.340 0.004 0.000 0.202 230 Q C 2.092 178.114 176.000 0.038 0.000 0.978 230 Q CA 2.179 58.034 55.803 0.086 0.000 0.844 230 Q CB -0.379 28.385 28.738 0.044 0.000 0.898 230 Q HN 0.504 nan 8.270 nan 0.000 0.426 231 V N -0.579 119.343 119.914 0.013 0.000 2.407 231 V HA -0.006 4.116 4.120 0.004 0.000 0.245 231 V C 1.776 177.828 176.094 -0.069 0.000 1.041 231 V CA 2.056 64.339 62.300 -0.029 0.000 1.040 231 V CB -0.697 31.106 31.823 -0.033 0.000 0.671 231 V HN 0.488 nan 8.190 nan 0.000 0.455 232 G N -0.159 108.632 108.800 -0.015 0.000 2.524 232 G HA2 -0.241 3.721 3.960 0.004 0.000 0.215 232 G HA3 -0.241 3.721 3.960 0.004 0.000 0.215 232 G C 1.503 176.156 174.900 -0.412 0.000 1.239 232 G CA 1.271 46.282 45.100 -0.150 0.000 0.798 232 G HN 0.378 nan 8.290 nan 0.000 0.557 233 M N 1.466 121.033 119.600 -0.055 0.000 2.279 233 M HA 0.012 4.494 4.480 0.004 0.000 0.264 233 M C 2.733 179.182 176.300 0.249 0.000 1.062 233 M CA 0.965 56.378 55.300 0.188 0.000 1.099 233 M CB -1.598 31.269 32.600 0.445 0.000 1.394 233 M HN 0.304 nan 8.290 nan 0.000 0.426 234 G N 0.460 109.296 108.800 0.060 0.000 2.421 234 G HA2 -0.170 3.792 3.960 0.004 0.000 0.216 234 G HA3 -0.170 3.792 3.960 0.004 0.000 0.216 234 G C 1.683 176.579 174.900 -0.006 0.000 1.171 234 G CA 0.533 45.621 45.100 -0.019 0.000 0.775 234 G HN 0.443 nan 8.290 nan 0.000 0.543 235 I N -0.069 120.431 120.570 -0.116 0.000 2.163 235 I HA -0.163 4.009 4.170 0.004 0.000 0.243 235 I C 2.566 178.792 176.117 0.181 0.000 1.085 235 I CA 1.143 62.407 61.300 -0.060 0.000 1.347 235 I CB -0.324 37.528 38.000 -0.247 0.000 1.044 235 I HN 0.165 nan 8.210 nan 0.000 0.408 236 F N -0.501 119.594 119.950 0.242 0.000 2.171 236 F HA -0.264 4.265 4.527 0.004 0.000 0.300 236 F C 2.749 178.758 175.800 0.349 0.000 1.090 236 F CA 1.132 59.302 58.000 0.284 0.000 1.293 236 F CB -0.698 38.377 39.000 0.126 0.000 1.013 236 F HN 0.231 nan 8.300 nan 0.000 0.486 237 H N 1.893 121.165 119.070 0.336 0.000 2.353 237 H HA -0.207 4.352 4.556 0.003 0.000 0.298 237 H C 2.170 177.468 175.328 -0.050 0.000 1.103 237 H CA 2.007 58.011 56.048 -0.072 0.000 1.293 237 H CB -0.312 29.245 29.762 -0.340 0.000 1.372 237 H HN 0.258 nan 8.280 nan 0.000 0.501 238 K N -0.282 120.237 120.400 0.197 0.000 2.147 238 K HA -0.170 4.152 4.320 0.004 0.000 0.205 238 K C 1.567 178.053 176.600 -0.191 0.000 1.049 238 K CA 1.467 57.730 56.287 -0.040 0.000 0.936 238 K CB -0.119 32.244 32.500 -0.229 0.000 0.722 238 K HN 0.316 nan 8.250 nan 0.000 0.446 239 Y N 0.380 120.793 120.300 0.189 0.000 2.523 239 Y HA 0.062 4.614 4.550 0.003 0.000 0.279 239 Y C 1.726 177.718 175.900 0.152 0.000 1.139 239 Y CA 0.104 58.316 58.100 0.187 0.000 1.296 239 Y CB 0.097 38.629 38.460 0.119 0.000 1.045 239 Y HN -0.043 nan 8.280 nan 0.000 0.538 240 L N -0.249 121.098 121.223 0.207 0.000 2.079 240 L HA -0.168 4.174 4.340 0.004 0.000 0.210 240 L C 0.960 177.909 176.870 0.132 0.000 1.081 240 L CA 1.142 56.069 54.840 0.144 0.000 0.752 240 L CB -0.520 41.585 42.059 0.076 0.000 0.896 240 L HN 0.182 nan 8.230 nan 0.000 0.433 241 S N -1.941 113.818 115.700 0.097 0.000 2.462 241 S HA 0.521 4.993 4.470 0.004 0.000 0.294 241 S C -0.812 173.915 174.600 0.211 0.000 1.144 241 S CA -0.606 57.654 58.200 0.100 0.000 1.088 241 S CB 1.960 65.166 63.200 0.011 0.000 1.009 241 S HN 0.153 nan 8.310 nan 0.000 0.484 242 Y N 1.117 121.442 120.300 0.042 0.000 3.044 242 Y HA 0.678 5.230 4.550 0.003 0.000 0.295 242 Y C 0.692 176.616 175.900 0.041 0.000 1.754 242 Y CA 0.364 58.497 58.100 0.055 0.000 1.082 242 Y CB 0.890 39.426 38.460 0.127 0.000 1.973 242 Y HN 0.933 nan 8.280 nan 0.000 0.427 243 S N -0.700 114.920 115.700 -0.132 0.000 6.388 243 S HA 0.222 4.695 4.470 0.004 0.000 0.104 243 S C -0.002 174.602 174.600 0.006 0.000 1.345 243 S CA 0.200 58.352 58.200 -0.079 0.000 1.150 243 S CB -0.360 62.723 63.200 -0.196 0.000 1.828 243 S HN 0.769 nan 8.310 nan 0.000 0.600 244 N N 2.351 120.998 118.700 -0.088 0.000 3.815 244 N HA -0.127 4.615 4.740 0.004 0.000 0.232 244 N C -2.109 173.406 175.510 0.008 0.000 0.863 244 N CA 1.719 54.767 53.050 -0.003 0.000 1.021 244 N CB -0.791 37.758 38.487 0.103 0.000 0.759 244 N HN 0.554 nan 8.380 nan 0.000 0.682 245 P HA 0.160 nan 4.420 nan 0.000 0.238 245 P C 0.266 177.560 177.300 -0.010 0.000 1.183 245 P CA 0.233 63.332 63.100 -0.003 0.000 0.813 245 P CB 0.146 31.842 31.700 -0.006 0.000 0.944 246 L N 1.468 122.675 121.223 -0.027 0.000 6.100 246 L HA -0.182 4.160 4.340 0.004 0.000 0.409 246 L C 0.872 177.717 176.870 -0.042 0.000 1.488 246 L CA 0.088 54.895 54.840 -0.056 0.000 0.749 246 L CB -1.654 40.353 42.059 -0.087 0.000 1.419 246 L HN 0.031 nan 8.230 nan 0.000 0.468 247 L N 1.504 122.700 121.223 -0.044 0.000 2.503 247 L HA -0.172 4.170 4.340 0.004 0.000 0.318 247 L C 0.985 177.828 176.870 -0.045 0.000 1.342 247 L CA 0.913 55.728 54.840 -0.041 0.000 0.829 247 L CB -0.126 41.902 42.059 -0.052 0.000 1.027 247 L HN 0.507 nan 8.230 nan 0.000 0.608 256 A N 1.600 124.538 122.820 0.197 0.000 2.534 256 A HA 0.454 4.776 4.320 0.004 0.000 0.300 256 A C -1.012 176.651 177.584 0.132 0.000 1.054 256 A CA 0.256 52.325 52.037 0.052 0.000 0.858 256 A CB 1.340 20.284 19.000 -0.093 0.000 1.333 256 A HN 0.521 nan 8.150 nan 0.000 0.391 257 S N 0.524 116.260 115.700 0.059 0.000 2.719 257 S HA 0.545 5.018 4.470 0.004 0.000 0.285 257 S C 1.664 176.250 174.600 -0.023 0.000 1.137 257 S CA 0.101 58.321 58.200 0.033 0.000 1.012 257 S CB 1.036 64.220 63.200 -0.027 0.000 1.134 257 S HN 1.224 nan 8.310 nan 0.000 0.544 258 V N 1.810 121.709 119.914 -0.025 0.000 2.278 258 V HA -0.183 3.939 4.120 0.004 0.000 0.251 258 V C 2.366 178.434 176.094 -0.043 0.000 1.062 258 V CA 2.191 64.476 62.300 -0.024 0.000 1.038 258 V CB -1.001 30.827 31.823 0.009 0.000 0.646 258 V HN 0.750 nan 8.190 nan 0.000 0.447 259 L N -0.123 121.042 121.223 -0.097 0.000 1.971 259 L HA -0.186 4.156 4.340 0.004 0.000 0.215 259 L C 2.306 179.146 176.870 -0.051 0.000 1.072 259 L CA 2.047 56.822 54.840 -0.109 0.000 0.758 259 L CB -0.671 41.288 42.059 -0.167 0.000 0.889 259 L HN 0.177 nan 8.230 nan 0.000 0.433 260 I N -0.399 120.130 120.570 -0.068 0.000 2.208 260 I HA -0.326 3.846 4.170 0.004 0.000 0.245 260 I C 2.458 178.548 176.117 -0.045 0.000 1.097 260 I CA 1.610 62.870 61.300 -0.067 0.000 1.363 260 I CB -1.088 36.822 38.000 -0.149 0.000 1.051 260 I HN 0.404 nan 8.210 nan 0.000 0.413 261 K N 0.295 120.663 120.400 -0.053 0.000 2.103 261 K HA -0.071 4.251 4.320 0.004 0.000 0.204 261 K C 2.151 178.716 176.600 -0.058 0.000 1.052 261 K CA 0.788 57.042 56.287 -0.056 0.000 0.945 261 K CB -0.155 32.309 32.500 -0.060 0.000 0.722 261 K HN 0.108 nan 8.250 nan 0.000 0.443 262 V N 2.189 122.076 119.914 -0.046 0.000 2.407 262 V HA -0.260 3.862 4.120 0.004 0.000 0.248 262 V C 1.969 178.034 176.094 -0.048 0.000 1.055 262 V CA 1.752 64.018 62.300 -0.056 0.000 1.049 262 V CB -0.326 31.480 31.823 -0.028 0.000 0.662 262 V HN 0.300 nan 8.190 nan 0.000 0.455 263 K N -0.467 119.930 120.400 -0.005 0.000 2.155 263 K HA -0.062 4.260 4.320 0.004 0.000 0.203 263 K C 2.357 178.953 176.600 -0.007 0.000 1.052 263 K CA 1.372 57.675 56.287 0.027 0.000 0.948 263 K CB -0.177 32.366 32.500 0.072 0.000 0.728 263 K HN 0.377 nan 8.250 nan 0.000 0.448 264 S N 0.772 116.457 115.700 -0.025 0.000 2.371 264 S HA -0.066 4.406 4.470 0.004 0.000 0.224 264 S C 2.037 176.592 174.600 -0.074 0.000 1.029 264 S CA 1.100 59.278 58.200 -0.037 0.000 0.978 264 S CB -0.026 63.151 63.200 -0.039 0.000 0.833 264 S HN 0.202 nan 8.310 nan 0.000 0.466 265 S N 1.671 117.309 115.700 -0.104 0.000 2.382 265 S HA 0.053 4.525 4.470 0.004 0.000 0.228 265 S C 1.760 176.246 174.600 -0.189 0.000 1.027 265 S CA 0.798 58.908 58.200 -0.149 0.000 0.991 265 S CB -0.350 62.748 63.200 -0.170 0.000 0.823 265 S HN 0.390 nan 8.310 nan 0.000 0.469 266 I N 1.465 121.915 120.570 -0.201 0.000 2.226 266 I HA -0.183 3.989 4.170 0.004 0.000 0.245 266 I C 2.671 178.665 176.117 -0.205 0.000 1.100 266 I CA 1.022 62.164 61.300 -0.264 0.000 1.374 266 I CB -0.270 37.665 38.000 -0.108 0.000 1.057 266 I HN 0.251 nan 8.210 nan 0.000 0.413 267 Q N 0.621 120.345 119.800 -0.126 0.000 2.124 267 Q HA -0.219 4.123 4.340 0.004 0.000 0.202 267 Q C 1.988 177.926 176.000 -0.103 0.000 0.977 267 Q CA 1.506 57.233 55.803 -0.127 0.000 0.850 267 Q CB -0.237 28.473 28.738 -0.048 0.000 0.901 267 Q HN 0.601 nan 8.270 nan 0.000 0.429 268 E N 0.268 120.430 120.200 -0.064 0.000 2.051 268 E HA -0.179 4.173 4.350 0.004 0.000 0.192 268 E C 2.031 178.693 176.600 0.105 0.000 0.991 268 E CA 0.788 57.199 56.400 0.018 0.000 0.799 268 E CB -0.149 29.530 29.700 -0.035 0.000 0.748 268 E HN 0.113 nan 8.360 nan 0.000 0.449 269 L N 0.857 122.099 121.223 0.031 0.000 2.046 269 L HA -0.144 4.198 4.340 0.004 0.000 0.208 269 L C 2.227 178.979 176.870 -0.197 0.000 1.077 269 L CA 1.304 56.137 54.840 -0.011 0.000 0.747 269 L CB -0.235 41.699 42.059 -0.209 0.000 0.896 269 L HN -0.060 nan 8.230 nan 0.000 0.432 270 V N -0.509 119.190 119.914 -0.357 0.000 2.407 270 V HA -0.315 3.807 4.120 0.004 0.000 0.248 270 V C 2.555 178.482 176.094 -0.278 0.000 1.055 270 V CA 2.031 63.992 62.300 -0.565 0.000 1.049 270 V CB -0.582 30.773 31.823 -0.780 0.000 0.662 270 V HN 0.621 nan 8.190 nan 0.000 0.455 271 Q N -0.775 118.975 119.800 -0.083 0.000 2.123 271 Q HA -0.169 4.173 4.340 0.004 0.000 0.199 271 Q C 2.215 178.254 176.000 0.065 0.000 0.966 271 Q CA 1.359 57.231 55.803 0.114 0.000 0.845 271 Q CB -0.053 28.773 28.738 0.148 0.000 0.907 271 Q HN 0.585 nan 8.270 nan 0.000 0.439 272 L N -0.188 121.056 121.223 0.034 0.000 2.017 272 L HA -0.195 4.147 4.340 0.004 0.000 0.208 272 L C 1.836 178.650 176.870 -0.093 0.000 1.073 272 L CA 1.825 56.646 54.840 -0.033 0.000 0.745 272 L CB -0.731 41.279 42.059 -0.082 0.000 0.894 272 L HN 0.220 nan 8.230 nan 0.000 0.432 273 Y N 0.180 120.337 120.300 -0.239 0.000 2.181 273 Y HA -0.226 4.326 4.550 0.004 0.000 0.288 273 Y C 2.673 178.509 175.900 -0.107 0.000 1.146 273 Y CA 1.970 59.934 58.100 -0.227 0.000 1.164 273 Y CB -1.165 36.794 38.460 -0.836 0.000 0.982 273 Y HN 0.230 nan 8.280 nan 0.000 0.515 274 T N -1.112 113.513 114.554 0.119 0.000 2.746 274 T HA -0.180 4.172 4.350 0.004 0.000 0.267 274 T C 1.944 176.727 174.700 0.137 0.000 1.039 274 T CA 2.162 64.448 62.100 0.310 0.000 1.142 274 T CB -0.571 68.556 68.868 0.431 0.000 0.866 274 T HN 0.575 nan 8.240 nan 0.000 0.444 275 T N -0.117 114.458 114.554 0.035 0.000 3.014 275 T HA 0.146 4.498 4.350 0.004 0.000 0.263 275 T C 1.925 176.546 174.700 -0.131 0.000 1.078 275 T CA 0.301 62.388 62.100 -0.021 0.000 1.135 275 T CB 0.033 68.893 68.868 -0.014 0.000 0.895 275 T HN 0.274 nan 8.240 nan 0.000 0.480 276 R N -0.646 119.651 120.500 -0.340 0.000 2.250 276 R HA 0.250 4.592 4.340 0.004 0.000 0.194 276 R C 0.299 176.234 176.300 -0.608 0.000 0.927 276 R CA 0.293 56.033 56.100 -0.601 0.000 1.052 276 R CB 0.464 30.119 30.300 -1.074 0.000 1.055 276 R HN 0.496 nan 8.270 nan 0.000 0.537 277 Y N 0.820 121.085 120.300 -0.060 0.000 2.698 277 Y HA 0.146 4.699 4.550 0.004 0.000 0.261 277 Y C 1.221 177.190 175.900 0.115 0.000 1.104 277 Y CA -0.604 57.465 58.100 -0.051 0.000 1.145 277 Y CB 0.312 38.600 38.460 -0.286 0.000 1.191 277 Y HN 0.103 nan 8.280 nan 0.000 0.564 278 E N 0.289 120.632 120.200 0.237 0.000 2.209 278 E HA -0.253 4.099 4.350 0.004 0.000 0.196 278 E C 1.067 177.839 176.600 0.286 0.000 0.993 278 E CA 1.763 58.340 56.400 0.295 0.000 0.819 278 E CB -0.177 29.662 29.700 0.231 0.000 0.745 278 E HN 0.539 nan 8.360 nan 0.000 0.477 279 D N 1.382 121.921 120.400 0.232 0.000 2.178 279 D HA -0.153 4.489 4.640 0.004 0.000 0.201 279 D C 2.029 178.453 176.300 0.207 0.000 0.980 279 D CA 1.180 55.297 54.000 0.196 0.000 0.842 279 D CB -0.266 40.627 40.800 0.154 0.000 0.948 279 D HN 0.322 nan 8.370 nan 0.000 0.472 280 V N -0.358 119.704 119.914 0.246 0.000 2.672 280 V HA -0.024 4.098 4.120 0.004 0.000 0.242 280 V C 2.041 178.353 176.094 0.363 0.000 1.059 280 V CA 0.440 62.890 62.300 0.249 0.000 1.081 280 V CB -0.567 31.373 31.823 0.196 0.000 0.752 280 V HN 0.000 nan 8.190 nan 0.000 0.472 281 F N 2.413 122.513 119.950 0.251 0.000 2.407 281 F HA 0.172 4.700 4.527 0.003 0.000 0.299 281 F C 2.086 178.038 175.800 0.252 0.000 1.097 281 F CA 0.543 58.722 58.000 0.298 0.000 1.422 281 F CB -0.843 38.371 39.000 0.357 0.000 1.067 281 F HN 0.148 nan 8.300 nan 0.000 0.539 282 G N 1.606 110.556 108.800 0.249 0.000 2.759 282 G HA2 -0.348 3.614 3.960 0.004 0.000 0.224 282 G HA3 -0.348 3.614 3.960 0.004 0.000 0.224 282 G C -0.464 174.527 174.900 0.151 0.000 1.173 282 G CA 1.308 46.543 45.100 0.225 0.000 0.770 282 G HN 0.296 nan 8.290 nan 0.000 0.626 283 P HA -0.057 nan 4.420 nan 0.000 0.218 283 P C 1.920 179.245 177.300 0.041 0.000 1.146 283 P CA 1.359 64.517 63.100 0.097 0.000 0.813 283 P CB -0.059 31.697 31.700 0.094 0.000 0.778 284 M N -2.739 116.805 119.600 -0.093 0.000 2.492 284 M HA 0.094 4.576 4.480 0.004 0.000 0.255 284 M C 1.830 178.038 176.300 -0.153 0.000 1.139 284 M CA 0.473 55.707 55.300 -0.110 0.000 1.096 284 M CB -0.278 32.294 32.600 -0.046 0.000 1.360 284 M HN -0.135 nan 8.290 nan 0.000 0.480 285 I N 1.502 121.828 120.570 -0.407 0.000 2.145 285 I HA -0.391 3.781 4.170 0.004 0.000 0.244 285 I C 2.035 178.270 176.117 0.196 0.000 1.075 285 I CA 1.349 62.535 61.300 -0.189 0.000 1.332 285 I CB -0.784 36.967 38.000 -0.415 0.000 1.033 285 I HN 0.441 nan 8.210 nan 0.000 0.410 286 N N 0.881 119.710 118.700 0.215 0.000 2.094 286 N HA -0.220 4.522 4.740 0.004 0.000 0.191 286 N C 1.666 177.332 175.510 0.260 0.000 1.023 286 N CA 1.600 54.817 53.050 0.278 0.000 0.857 286 N CB -0.394 38.240 38.487 0.246 0.000 1.013 286 N HN 0.561 nan 8.380 nan 0.000 0.426 287 E N 0.112 120.440 120.200 0.214 0.000 2.077 287 E HA -0.116 4.236 4.350 0.004 0.000 0.193 287 E C 1.722 178.389 176.600 0.112 0.000 0.989 287 E CA 0.824 57.326 56.400 0.169 0.000 0.800 287 E CB -0.252 29.542 29.700 0.156 0.000 0.746 287 E HN 0.332 nan 8.360 nan 0.000 0.452 288 F N 0.903 120.977 119.950 0.207 0.000 2.234 288 F HA -0.165 4.364 4.527 0.003 0.000 0.299 288 F C 2.229 178.222 175.800 0.321 0.000 1.087 288 F CA 0.510 58.607 58.000 0.163 0.000 1.340 288 F CB -0.120 38.941 39.000 0.102 0.000 1.031 288 F HN -0.002 nan 8.300 nan 0.000 0.500 289 I N 0.282 121.220 120.570 0.613 0.000 2.091 289 I HA -0.344 3.828 4.170 0.004 0.000 0.239 289 I C 2.262 178.643 176.117 0.439 0.000 1.061 289 I CA 1.726 63.357 61.300 0.552 0.000 1.317 289 I CB -1.673 36.588 38.000 0.434 0.000 1.031 289 I HN 0.289 nan 8.210 nan 0.000 0.401 290 Q N 0.368 120.368 119.800 0.333 0.000 2.096 290 Q HA -0.171 4.171 4.340 0.004 0.000 0.204 290 Q C 2.379 178.475 176.000 0.160 0.000 0.982 290 Q CA 1.485 57.428 55.803 0.234 0.000 0.850 290 Q CB -0.185 28.628 28.738 0.125 0.000 0.901 290 Q HN 0.526 nan 8.270 nan 0.000 0.422 291 I N 0.358 120.980 120.570 0.088 0.000 2.179 291 I HA -0.250 3.922 4.170 0.004 0.000 0.242 291 I C 2.253 178.437 176.117 0.112 0.000 1.088 291 I CA 1.223 62.525 61.300 0.004 0.000 1.357 291 I CB -0.509 37.374 38.000 -0.194 0.000 1.051 291 I HN 0.178 nan 8.210 nan 0.000 0.409 292 T N 0.040 114.722 114.554 0.212 0.000 2.746 292 T HA -0.226 4.126 4.350 0.004 0.000 0.267 292 T C 1.531 176.387 174.700 0.261 0.000 1.039 292 T CA 1.335 63.582 62.100 0.245 0.000 1.142 292 T CB -0.379 68.720 68.868 0.385 0.000 0.866 292 T HN 0.471 nan 8.240 nan 0.000 0.444 293 W N 2.945 124.288 121.300 0.071 0.000 2.363 293 W HA -0.058 4.604 4.660 0.004 0.000 0.296 293 W C 1.725 178.251 176.519 0.012 0.000 1.212 293 W CA 0.801 58.159 57.345 0.021 0.000 1.260 293 W CB -0.923 28.551 29.460 0.023 0.000 1.131 293 W HN 0.205 nan 8.180 nan 0.000 0.530 294 N N 0.424 119.253 118.700 0.216 0.000 2.216 294 N HA -0.148 4.594 4.740 0.004 0.000 0.183 294 N C 1.717 177.281 175.510 0.089 0.000 1.017 294 N CA 1.347 54.440 53.050 0.073 0.000 0.861 294 N CB -1.005 37.484 38.487 0.004 0.000 0.986 294 N HN 0.140 nan 8.380 nan 0.000 0.428 295 L N 1.275 122.562 121.223 0.107 0.000 1.994 295 L HA -0.035 4.307 4.340 0.004 0.000 0.208 295 L C 2.040 178.953 176.870 0.071 0.000 1.071 295 L CA 1.374 56.266 54.840 0.086 0.000 0.745 295 L CB -0.736 41.382 42.059 0.099 0.000 0.892 295 L HN 0.104 nan 8.230 nan 0.000 0.431 296 L N -1.522 119.756 121.223 0.091 0.000 2.083 296 L HA -0.220 4.122 4.340 0.004 0.000 0.209 296 L C 2.335 179.241 176.870 0.060 0.000 1.083 296 L CA 1.630 56.502 54.840 0.052 0.000 0.752 296 L CB -1.051 41.027 42.059 0.031 0.000 0.899 296 L HN 0.276 nan 8.230 nan 0.000 0.433 297 T N -0.715 113.916 114.554 0.128 0.000 2.759 297 T HA -0.162 4.190 4.350 0.004 0.000 0.269 297 T C 1.821 176.543 174.700 0.035 0.000 1.042 297 T CA 1.850 64.016 62.100 0.110 0.000 1.140 297 T CB -0.144 68.799 68.868 0.125 0.000 0.864 297 T HN 0.539 nan 8.240 nan 0.000 0.455 298 S N -0.518 115.191 115.700 0.015 0.000 2.559 298 S HA 0.338 4.811 4.470 0.004 0.000 0.226 298 S C 0.485 175.045 174.600 -0.067 0.000 1.000 298 S CA -0.466 57.723 58.200 -0.018 0.000 0.948 298 S CB -0.115 63.082 63.200 -0.006 0.000 0.870 298 S HN 0.391 nan 8.310 nan 0.000 0.497 299 I N 3.284 123.797 120.570 -0.096 0.000 2.256 299 I HA 0.229 4.401 4.170 0.004 0.000 0.294 299 I C -0.081 175.822 176.117 -0.357 0.000 1.127 299 I CA -0.216 60.933 61.300 -0.252 0.000 1.247 299 I CB 0.629 38.529 38.000 -0.166 0.000 1.460 299 I HN 0.161 nan 8.210 nan 0.000 0.511 300 S N 4.819 120.286 115.700 -0.387 0.000 2.593 300 S HA 0.041 4.513 4.470 0.004 0.000 0.269 300 S C 1.145 175.554 174.600 -0.317 0.000 1.334 300 S CA -0.712 57.318 58.200 -0.284 0.000 1.015 300 S CB 0.407 63.510 63.200 -0.162 0.000 0.912 300 S HN 0.656 nan 8.310 nan 0.000 0.541 301 N N 2.033 120.644 118.700 -0.150 0.000 2.991 301 N HA -0.180 4.562 4.740 0.004 0.000 0.239 301 N C -0.112 175.396 175.510 -0.002 0.000 1.779 301 N CA 0.379 53.387 53.050 -0.070 0.000 1.013 301 N CB -0.397 38.061 38.487 -0.048 0.000 1.466 301 N HN 0.596 nan 8.380 nan 0.000 0.563 302 Q N 1.368 121.199 119.800 0.052 0.000 2.506 302 Q HA 0.225 4.568 4.340 0.004 0.000 0.242 302 Q C -2.532 173.654 176.000 0.309 0.000 1.060 302 Q CA -2.068 53.851 55.803 0.193 0.000 0.826 302 Q CB 1.401 30.317 28.738 0.297 0.000 1.169 302 Q HN 0.146 nan 8.270 nan 0.000 0.521 303 P HA -0.128 nan 4.420 nan 0.000 0.260 303 P C -0.416 176.953 177.300 0.116 0.000 1.172 303 P CA 0.897 64.087 63.100 0.150 0.000 0.760 303 P CB 0.535 32.281 31.700 0.077 0.000 0.773 304 K N 1.972 122.418 120.400 0.076 0.000 1.124 304 K HA -0.044 4.278 4.320 0.004 0.000 0.079 304 K C -0.317 176.188 176.600 -0.157 0.000 2.329 304 K CA -0.142 56.096 56.287 -0.083 0.000 0.947 304 K CB -0.998 31.397 32.500 -0.175 0.000 2.577 304 K HN 0.198 nan 8.250 nan 0.000 0.312 305 Y N 1.608 121.914 120.300 0.011 0.000 2.498 305 Y HA 0.255 4.807 4.550 0.004 0.000 0.259 305 Y C 1.499 177.401 175.900 0.003 0.000 1.086 305 Y CA 0.110 58.216 58.100 0.009 0.000 1.287 305 Y CB 0.229 38.697 38.460 0.014 0.000 1.146 305 Y HN -0.003 nan 8.280 nan 0.000 0.523 306 D N 1.168 121.668 120.400 0.167 0.000 2.248 306 D HA -0.261 4.381 4.640 0.004 0.000 0.189 306 D C 1.981 178.317 176.300 0.060 0.000 1.011 306 D CA 2.031 56.084 54.000 0.089 0.000 0.868 306 D CB -0.290 40.544 40.800 0.057 0.000 0.931 306 D HN 0.307 nan 8.370 nan 0.000 0.449 307 I N -0.281 120.314 120.570 0.041 0.000 2.179 307 I HA -0.232 3.941 4.170 0.004 0.000 0.242 307 I C 2.374 178.510 176.117 0.032 0.000 1.088 307 I CA 0.420 61.732 61.300 0.021 0.000 1.357 307 I CB -0.214 37.783 38.000 -0.004 0.000 1.051 307 I HN 0.063 nan 8.210 nan 0.000 0.409 308 L N 0.758 122.012 121.223 0.053 0.000 2.042 308 L HA -0.181 4.161 4.340 0.004 0.000 0.210 308 L C 2.401 179.310 176.870 0.065 0.000 1.076 308 L CA 1.825 56.704 54.840 0.065 0.000 0.749 308 L CB -0.542 41.584 42.059 0.112 0.000 0.893 308 L HN -0.018 nan 8.230 nan 0.000 0.432 309 V N -0.280 119.678 119.914 0.073 0.000 2.407 309 V HA -0.264 3.858 4.120 0.004 0.000 0.248 309 V C 2.710 178.809 176.094 0.008 0.000 1.055 309 V CA 1.761 64.082 62.300 0.036 0.000 1.049 309 V CB -0.984 30.857 31.823 0.030 0.000 0.662 309 V HN 0.766 nan 8.190 nan 0.000 0.455 310 S N -0.290 115.420 115.700 0.017 0.000 2.395 310 S HA -0.131 4.341 4.470 0.004 0.000 0.225 310 S C 1.920 176.528 174.600 0.014 0.000 1.027 310 S CA 0.865 59.070 58.200 0.008 0.000 0.965 310 S CB -0.335 62.874 63.200 0.016 0.000 0.812 310 S HN 0.589 nan 8.310 nan 0.000 0.482 311 K N 1.250 121.665 120.400 0.025 0.000 2.148 311 K HA 0.092 4.414 4.320 0.004 0.000 0.204 311 K C 2.351 178.994 176.600 0.072 0.000 1.050 311 K CA 1.227 57.538 56.287 0.039 0.000 0.942 311 K CB -0.234 32.279 32.500 0.022 0.000 0.724 311 K HN 0.354 nan 8.250 nan 0.000 0.446 312 S N 1.479 117.215 115.700 0.059 0.000 2.355 312 S HA -0.036 4.437 4.470 0.004 0.000 0.222 312 S C 1.926 176.549 174.600 0.040 0.000 1.031 312 S CA 0.887 59.146 58.200 0.099 0.000 0.993 312 S CB -0.134 63.102 63.200 0.061 0.000 0.859 312 S HN 0.185 nan 8.310 nan 0.000 0.453 313 L N 1.818 122.985 121.223 -0.094 0.000 2.046 313 L HA -0.120 4.222 4.340 0.004 0.000 0.208 313 L C 2.761 179.549 176.870 -0.136 0.000 1.077 313 L CA 1.411 56.081 54.840 -0.282 0.000 0.747 313 L CB -0.823 41.083 42.059 -0.255 0.000 0.896 313 L HN 0.426 nan 8.230 nan 0.000 0.432 314 S N 0.014 115.712 115.700 -0.002 0.000 2.383 314 S HA -0.258 4.215 4.470 0.004 0.000 0.229 314 S C 1.924 176.585 174.600 0.101 0.000 1.030 314 S CA 1.177 59.411 58.200 0.056 0.000 1.002 314 S CB -0.903 62.339 63.200 0.069 0.000 0.829 314 S HN 0.411 nan 8.310 nan 0.000 0.467 315 F N 2.848 122.792 119.950 -0.009 0.000 2.075 315 F HA 0.113 4.643 4.527 0.004 0.000 0.297 315 F C 1.897 177.726 175.800 0.048 0.000 1.113 315 F CA 0.976 58.990 58.000 0.024 0.000 1.218 315 F CB -0.727 38.290 39.000 0.028 0.000 0.984 315 F HN 0.141 nan 8.300 nan 0.000 0.472 316 L N 0.284 121.304 121.223 -0.339 0.000 2.127 316 L HA -0.223 4.119 4.340 0.004 0.000 0.211 316 L C 2.567 179.425 176.870 -0.021 0.000 1.089 316 L CA 1.831 56.437 54.840 -0.391 0.000 0.757 316 L CB -1.229 40.514 42.059 -0.528 0.000 0.899 316 L HN 0.409 nan 8.230 nan 0.000 0.434 317 T N -3.144 111.442 114.554 0.053 0.000 2.857 317 T HA -0.051 4.301 4.350 0.004 0.000 0.266 317 T C 1.953 176.711 174.700 0.098 0.000 1.048 317 T CA 0.786 63.011 62.100 0.209 0.000 1.139 317 T CB -0.268 68.715 68.868 0.192 0.000 0.874 317 T HN 0.287 nan 8.240 nan 0.000 0.455 318 A N 1.143 123.982 122.820 0.031 0.000 1.930 318 A HA 0.114 4.436 4.320 0.004 0.000 0.217 318 A C 2.572 180.167 177.584 0.017 0.000 1.175 318 A CA 1.439 53.495 52.037 0.031 0.000 0.627 318 A CB -0.973 18.065 19.000 0.062 0.000 0.815 318 A HN 0.424 nan 8.150 nan 0.000 0.443 319 V N -0.304 119.575 119.914 -0.058 0.000 2.548 319 V HA -0.174 3.948 4.120 0.004 0.000 0.249 319 V C 2.601 178.812 176.094 0.195 0.000 1.055 319 V CA 2.245 64.551 62.300 0.009 0.000 1.065 319 V CB -1.202 30.540 31.823 -0.135 0.000 0.681 319 V HN 0.579 nan 8.190 nan 0.000 0.462 320 T N -0.052 114.653 114.554 0.253 0.000 2.881 320 T HA -0.155 4.197 4.350 0.004 0.000 0.270 320 T C 1.824 176.480 174.700 -0.073 0.000 1.068 320 T CA 1.111 63.349 62.100 0.231 0.000 1.131 320 T CB -0.249 68.759 68.868 0.234 0.000 0.871 320 T HN 0.465 nan 8.240 nan 0.000 0.479 321 R N 0.294 120.788 120.500 -0.009 0.000 2.313 321 R HA 0.249 4.592 4.340 0.004 0.000 0.199 321 R C 0.054 176.359 176.300 0.009 0.000 0.958 321 R CA 0.336 56.409 56.100 -0.045 0.000 1.047 321 R CB -0.025 30.268 30.300 -0.012 0.000 0.955 321 R HN 0.387 nan 8.270 nan 0.000 0.481 322 I N 1.484 122.108 120.570 0.090 0.000 2.359 322 I HA 0.185 4.357 4.170 0.004 0.000 0.284 322 I C -1.786 174.436 176.117 0.176 0.000 1.018 322 I CA -2.578 58.825 61.300 0.171 0.000 1.173 322 I CB 1.888 40.087 38.000 0.332 0.000 1.326 322 I HN -0.267 nan 8.210 nan 0.000 0.462 323 P HA -0.247 nan 4.420 nan 0.000 0.217 323 P C 1.272 178.616 177.300 0.074 0.000 1.162 323 P CA 1.760 64.916 63.100 0.093 0.000 0.901 323 P CB 0.176 31.903 31.700 0.044 0.000 0.793 324 K N -1.748 118.643 120.400 -0.016 0.000 2.063 324 K HA -0.170 4.152 4.320 0.004 0.000 0.208 324 K C 2.134 178.606 176.600 -0.214 0.000 1.048 324 K CA 1.637 57.818 56.287 -0.176 0.000 0.928 324 K CB -0.609 31.680 32.500 -0.353 0.000 0.713 324 K HN 0.289 nan 8.250 nan 0.000 0.442 325 Y N -1.177 119.161 120.300 0.064 0.000 2.544 325 Y HA -0.047 4.505 4.550 0.003 0.000 0.286 325 Y C 1.823 177.719 175.900 -0.006 0.000 1.141 325 Y CA 0.051 58.192 58.100 0.069 0.000 1.299 325 Y CB -0.020 38.512 38.460 0.120 0.000 1.030 325 Y HN 0.031 nan 8.280 nan 0.000 0.543 326 F N 1.382 121.267 119.950 -0.109 0.000 2.293 326 F HA -0.050 4.479 4.527 0.003 0.000 0.297 326 F C 1.925 177.390 175.800 -0.557 0.000 1.089 326 F CA 0.994 58.715 58.000 -0.465 0.000 1.377 326 F CB -0.059 38.760 39.000 -0.301 0.000 1.051 326 F HN -0.111 nan 8.300 nan 0.000 0.511 327 E N 0.938 120.906 120.200 -0.386 0.000 2.273 327 E HA -0.229 4.123 4.350 0.004 0.000 0.198 327 E C 2.465 178.849 176.600 -0.360 0.000 1.002 327 E CA 1.122 57.290 56.400 -0.387 0.000 0.828 327 E CB -0.567 29.033 29.700 -0.166 0.000 0.747 327 E HN 0.519 nan 8.360 nan 0.000 0.491 328 I N 0.233 120.643 120.570 -0.266 0.000 2.185 328 I HA -0.282 3.890 4.170 0.004 0.000 0.246 328 I C 1.379 177.542 176.117 0.076 0.000 1.088 328 I CA 1.405 62.714 61.300 0.014 0.000 1.347 328 I CB -0.287 37.891 38.000 0.296 0.000 1.041 328 I HN 0.070 nan 8.210 nan 0.000 0.415 329 F N -1.527 118.315 119.950 -0.180 0.000 2.908 329 F HA 0.420 4.949 4.527 0.004 0.000 0.328 329 F C 0.425 176.033 175.800 -0.320 0.000 1.211 329 F CA -0.725 57.175 58.000 -0.166 0.000 1.291 329 F CB -0.690 38.234 39.000 -0.127 0.000 0.962 329 F HN -0.156 nan 8.300 nan 0.000 0.505 330 N N 3.722 122.162 118.700 -0.433 0.000 3.324 330 N HA 0.150 4.893 4.740 0.004 0.000 0.302 330 N C -1.248 174.185 175.510 -0.127 0.000 1.360 330 N CA -0.037 52.777 53.050 -0.394 0.000 1.190 330 N CB -0.218 37.971 38.487 -0.497 0.000 1.462 330 N HN 0.698 nan 8.380 nan 0.000 0.532 331 N N -1.168 117.514 118.700 -0.030 0.000 3.171 331 N HA 0.015 4.757 4.740 0.004 0.000 0.239 331 N C 0.262 175.807 175.510 0.059 0.000 1.275 331 N CA -0.391 52.670 53.050 0.018 0.000 0.920 331 N CB 1.096 39.593 38.487 0.017 0.000 1.554 331 N HN -0.273 nan 8.380 nan 0.000 0.504 332 E N 1.209 121.442 120.200 0.054 0.000 2.094 332 E HA -0.288 4.064 4.350 0.004 0.000 0.232 332 E C 1.601 178.253 176.600 0.086 0.000 1.055 332 E CA 2.770 59.208 56.400 0.063 0.000 0.923 332 E CB -0.594 29.134 29.700 0.046 0.000 0.815 332 E HN 0.627 nan 8.360 nan 0.000 0.502 333 S N -0.941 114.809 115.700 0.084 0.000 2.414 333 S HA -0.358 4.114 4.470 0.004 0.000 0.238 333 S C 1.922 176.627 174.600 0.175 0.000 1.055 333 S CA 2.536 60.801 58.200 0.108 0.000 1.174 333 S CB -0.783 62.471 63.200 0.091 0.000 1.087 333 S HN 0.453 nan 8.310 nan 0.000 0.428 334 A N 0.711 123.663 122.820 0.220 0.000 1.845 334 A HA -0.082 4.240 4.320 0.004 0.000 0.215 334 A C 2.193 179.923 177.584 0.243 0.000 1.195 334 A CA 2.154 54.407 52.037 0.361 0.000 0.616 334 A CB -0.824 18.413 19.000 0.394 0.000 0.832 334 A HN 0.604 nan 8.150 nan 0.000 0.443 335 M N 0.291 119.998 119.600 0.178 0.000 2.435 335 M HA -0.077 4.405 4.480 0.004 0.000 0.262 335 M C 1.435 177.795 176.300 0.100 0.000 1.065 335 M CA 1.381 56.764 55.300 0.139 0.000 1.076 335 M CB -0.712 31.975 32.600 0.145 0.000 1.403 335 M HN 0.544 nan 8.290 nan 0.000 0.454 336 N N -0.625 118.141 118.700 0.110 0.000 2.432 336 N HA -0.065 4.677 4.740 0.004 0.000 0.174 336 N C 1.379 176.948 175.510 0.099 0.000 1.037 336 N CA 0.646 53.745 53.050 0.082 0.000 0.892 336 N CB -0.162 38.386 38.487 0.101 0.000 1.049 336 N HN 0.382 nan 8.380 nan 0.000 0.442 337 N N 1.147 119.959 118.700 0.187 0.000 2.171 337 N HA 0.066 4.808 4.740 0.004 0.000 0.184 337 N C 1.846 177.517 175.510 0.269 0.000 1.021 337 N CA 0.733 53.949 53.050 0.275 0.000 0.854 337 N CB -0.149 38.608 38.487 0.449 0.000 0.994 337 N HN 0.235 nan 8.380 nan 0.000 0.426 338 I N -0.136 120.520 120.570 0.142 0.000 2.208 338 I HA -0.271 3.901 4.170 0.004 0.000 0.245 338 I C 1.912 178.040 176.117 0.018 0.000 1.097 338 I CA 1.131 62.393 61.300 -0.064 0.000 1.363 338 I CB -0.616 37.235 38.000 -0.248 0.000 1.051 338 I HN 0.158 nan 8.210 nan 0.000 0.413 339 T N 0.407 114.952 114.554 -0.014 0.000 2.643 339 T HA -0.193 4.159 4.350 0.004 0.000 0.264 339 T C 1.751 176.368 174.700 -0.138 0.000 1.045 339 T CA 1.619 63.645 62.100 -0.125 0.000 1.155 339 T CB -0.319 68.268 68.868 -0.468 0.000 0.863 339 T HN 0.433 nan 8.240 nan 0.000 0.420 340 E N 0.969 121.096 120.200 -0.123 0.000 2.110 340 E HA -0.135 4.217 4.350 0.004 0.000 0.193 340 E C 2.404 179.025 176.600 0.035 0.000 0.988 340 E CA 0.926 57.297 56.400 -0.047 0.000 0.804 340 E CB -0.108 29.622 29.700 0.050 0.000 0.745 340 E HN 0.583 nan 8.360 nan 0.000 0.458 341 Q N -0.417 119.432 119.800 0.082 0.000 2.339 341 Q HA 0.098 4.440 4.340 0.004 0.000 0.205 341 Q C 1.878 177.932 176.000 0.090 0.000 0.925 341 Q CA 0.557 56.427 55.803 0.111 0.000 0.898 341 Q CB 0.586 29.448 28.738 0.205 0.000 1.013 341 Q HN 0.313 nan 8.270 nan 0.000 0.504 342 I N -0.859 119.755 120.570 0.074 0.000 3.393 342 I HA -0.040 4.132 4.170 0.004 0.000 0.250 342 I C 1.912 178.069 176.117 0.067 0.000 1.122 342 I CA 0.076 61.407 61.300 0.053 0.000 1.484 342 I CB 0.019 38.028 38.000 0.015 0.000 1.468 342 I HN 0.002 nan 8.210 nan 0.000 0.461 343 I N 1.575 122.213 120.570 0.113 0.000 2.099 343 I HA -0.296 3.876 4.170 0.004 0.000 0.239 343 I C 2.553 178.738 176.117 0.113 0.000 1.066 343 I CA 1.785 63.179 61.300 0.158 0.000 1.324 343 I CB -0.392 37.768 38.000 0.267 0.000 1.037 343 I HN 0.192 nan 8.210 nan 0.000 0.401 344 L N 0.357 121.632 121.223 0.087 0.000 1.989 344 L HA -0.171 4.171 4.340 0.004 0.000 0.211 344 L C -0.128 176.735 176.870 -0.012 0.000 1.071 344 L CA 1.763 56.632 54.840 0.049 0.000 0.749 344 L CB -2.352 39.738 42.059 0.052 0.000 0.890 344 L HN 0.164 nan 8.230 nan 0.000 0.431 345 P HA -0.171 nan 4.420 nan 0.000 0.217 345 P C 0.930 178.197 177.300 -0.055 0.000 1.151 345 P CA 1.502 64.582 63.100 -0.033 0.000 0.849 345 P CB -0.030 31.663 31.700 -0.012 0.000 0.787 346 N N -1.889 116.789 118.700 -0.037 0.000 2.432 346 N HA 0.007 4.749 4.740 0.004 0.000 0.174 346 N C 1.448 176.909 175.510 -0.081 0.000 1.037 346 N CA 0.520 53.540 53.050 -0.049 0.000 0.892 346 N CB -0.559 37.917 38.487 -0.019 0.000 1.049 346 N HN 0.007 nan 8.380 nan 0.000 0.442 347 V N 1.650 121.526 119.914 -0.064 0.000 3.305 347 V HA -0.055 4.067 4.120 0.004 0.000 0.269 347 V C 1.054 176.992 176.094 -0.259 0.000 1.157 347 V CA 1.033 63.261 62.300 -0.120 0.000 1.157 347 V CB -0.907 30.940 31.823 0.040 0.000 0.772 347 V HN 0.267 nan 8.190 nan 0.000 0.498 348 T N 0.102 114.520 114.554 -0.227 0.000 2.889 348 T HA 0.290 4.642 4.350 0.004 0.000 0.340 348 T C 1.365 175.876 174.700 -0.315 0.000 1.145 348 T CA -0.300 61.614 62.100 -0.310 0.000 0.986 348 T CB 0.431 69.109 68.868 -0.316 0.000 1.461 348 T HN 0.075 nan 8.240 nan 0.000 0.541 349 L N -0.078 120.945 121.223 -0.333 0.000 1.924 349 L HA -0.008 4.335 4.340 0.004 0.000 0.234 349 L C 1.326 178.087 176.870 -0.182 0.000 1.090 349 L CA 0.995 55.667 54.840 -0.280 0.000 0.816 349 L CB -0.636 41.233 42.059 -0.317 0.000 0.901 349 L HN 0.616 nan 8.230 nan 0.000 0.433 350 R N -0.284 120.130 120.500 -0.145 0.000 2.883 350 R HA -0.102 4.240 4.340 0.004 0.000 0.272 350 R C 0.873 177.144 176.300 -0.047 0.000 1.043 350 R CA 0.276 56.327 56.100 -0.081 0.000 0.665 350 R CB -1.284 28.978 30.300 -0.064 0.000 1.382 350 R HN 0.539 nan 8.270 nan 0.000 0.376 351 E N 0.647 120.815 120.200 -0.053 0.000 2.236 351 E HA -0.295 4.057 4.350 0.004 0.000 0.205 351 E C 0.925 177.536 176.600 0.019 0.000 1.028 351 E CA 1.996 58.388 56.400 -0.013 0.000 0.827 351 E CB -0.010 29.685 29.700 -0.008 0.000 0.735 351 E HN 0.637 nan 8.360 nan 0.000 0.470 352 E N 0.136 120.347 120.200 0.018 0.000 2.371 352 E HA -0.093 4.259 4.350 0.004 0.000 0.194 352 E C 0.610 177.239 176.600 0.048 0.000 1.012 352 E CA 0.328 56.747 56.400 0.032 0.000 0.860 352 E CB 0.245 29.961 29.700 0.027 0.000 0.811 352 E HN 0.241 nan 8.360 nan 0.000 0.502 353 D N -0.044 120.388 120.400 0.053 0.000 2.319 353 D HA -0.018 4.624 4.640 0.004 0.000 0.230 353 D C 1.216 177.599 176.300 0.138 0.000 1.094 353 D CA 0.226 54.282 54.000 0.094 0.000 0.856 353 D CB 0.809 41.655 40.800 0.078 0.000 0.915 353 D HN 0.042 nan 8.370 nan 0.000 0.517 354 V N 0.773 120.735 119.914 0.080 0.000 3.085 354 V HA -0.122 4.000 4.120 0.004 0.000 0.245 354 V C 2.084 178.208 176.094 0.051 0.000 1.114 354 V CA 0.790 63.114 62.300 0.040 0.000 1.108 354 V CB 0.074 31.906 31.823 0.016 0.000 0.798 354 V HN 0.141 nan 8.190 nan 0.000 0.471 355 E N 1.177 121.413 120.200 0.061 0.000 2.418 355 E HA -0.111 4.241 4.350 0.004 0.000 0.197 355 E C 1.771 178.401 176.600 0.050 0.000 1.026 355 E CA 1.019 57.455 56.400 0.059 0.000 0.862 355 E CB -0.676 29.050 29.700 0.044 0.000 0.799 355 E HN 0.537 nan 8.360 nan 0.000 0.518 356 L N -0.364 120.904 121.223 0.075 0.000 2.131 356 L HA -0.049 4.293 4.340 0.004 0.000 0.210 356 L C 2.277 179.148 176.870 0.002 0.000 1.092 356 L CA 1.200 56.094 54.840 0.090 0.000 0.759 356 L CB -0.540 41.654 42.059 0.226 0.000 0.903 356 L HN 0.140 nan 8.230 nan 0.000 0.435 357 F N 1.914 121.674 119.950 -0.317 0.000 2.084 357 F HA -0.212 4.317 4.527 0.003 0.000 0.296 357 F C 2.036 177.646 175.800 -0.317 0.000 1.111 357 F CA 1.452 59.087 58.000 -0.609 0.000 1.224 357 F CB 0.084 38.625 39.000 -0.764 0.000 0.991 357 F HN 0.164 nan 8.300 nan 0.000 0.471 358 E N -1.039 119.218 120.200 0.096 0.000 2.434 358 E HA 0.163 4.515 4.350 0.004 0.000 0.243 358 E C -0.532 176.046 176.600 -0.037 0.000 1.250 358 E CA 0.008 56.429 56.400 0.036 0.000 1.568 358 E CB 0.088 29.878 29.700 0.150 0.000 1.435 358 E HN 0.316 nan 8.360 nan 0.000 0.432 359 D N -0.109 120.231 120.400 -0.100 0.000 1.921 359 D HA 0.007 4.649 4.640 0.004 0.000 0.470 359 D C -0.442 175.781 176.300 -0.128 0.000 0.957 359 D CA 0.074 54.025 54.000 -0.083 0.000 0.974 359 D CB 0.581 41.360 40.800 -0.034 0.000 1.682 359 D HN 0.138 nan 8.370 nan 0.000 0.528 360 D N 0.048 120.348 120.400 -0.165 0.000 2.978 360 D HA 0.156 4.798 4.640 0.004 0.000 0.268 360 D C -2.109 174.037 176.300 -0.256 0.000 1.252 360 D CA -1.358 52.530 54.000 -0.187 0.000 0.771 360 D CB 1.714 42.463 40.800 -0.085 0.000 1.361 360 D HN -0.175 nan 8.370 nan 0.000 0.558 361 P HA -0.214 nan 4.420 nan 0.000 0.210 361 P C 1.720 178.821 177.300 -0.332 0.000 1.151 361 P CA 0.688 63.400 63.100 -0.647 0.000 0.949 361 P CB 0.378 31.223 31.700 -1.424 0.000 0.786 362 I N -0.317 120.013 120.570 -0.401 0.000 2.147 362 I HA -0.323 3.849 4.170 0.004 0.000 0.245 362 I C 2.058 178.204 176.117 0.049 0.000 1.059 362 I CA 1.888 63.175 61.300 -0.021 0.000 1.320 362 I CB -0.780 37.248 38.000 0.046 0.000 1.021 362 I HN 0.026 nan 8.210 nan 0.000 0.415 363 E N -1.276 118.925 120.200 0.001 0.000 2.077 363 E HA -0.286 4.066 4.350 0.004 0.000 0.193 363 E C 2.172 178.810 176.600 0.064 0.000 0.989 363 E CA 1.616 58.037 56.400 0.036 0.000 0.800 363 E CB -0.403 29.308 29.700 0.019 0.000 0.746 363 E HN 0.681 nan 8.360 nan 0.000 0.452 364 Y N 1.403 121.669 120.300 -0.057 0.000 2.128 364 Y HA -0.247 4.305 4.550 0.004 0.000 0.284 364 Y C 1.935 177.832 175.900 -0.004 0.000 1.154 364 Y CA 1.629 59.717 58.100 -0.020 0.000 1.149 364 Y CB -0.150 38.285 38.460 -0.041 0.000 0.976 364 Y HN -0.047 nan 8.280 nan 0.000 0.505 365 I N -0.040 120.559 120.570 0.049 0.000 2.179 365 I HA -0.330 3.842 4.170 0.004 0.000 0.242 365 I C 2.498 178.517 176.117 -0.164 0.000 1.088 365 I CA 1.661 62.892 61.300 -0.114 0.000 1.357 365 I CB -0.483 37.408 38.000 -0.181 0.000 1.051 365 I HN 0.125 nan 8.210 nan 0.000 0.409 366 R N 0.527 121.034 120.500 0.011 0.000 2.091 366 R HA -0.133 4.209 4.340 0.004 0.000 0.238 366 R C 2.476 178.771 176.300 -0.010 0.000 1.136 366 R CA 1.375 57.526 56.100 0.086 0.000 0.959 366 R CB -0.290 30.098 30.300 0.147 0.000 0.856 366 R HN 0.357 nan 8.270 nan 0.000 0.437 367 R N 0.073 120.542 120.500 -0.053 0.000 2.090 367 R HA -0.104 4.238 4.340 0.004 0.000 0.228 367 R C 1.879 178.105 176.300 -0.123 0.000 1.110 367 R CA 1.270 57.326 56.100 -0.073 0.000 0.973 367 R CB -0.272 29.984 30.300 -0.073 0.000 0.869 367 R HN 0.217 nan 8.270 nan 0.000 0.440 368 D N 1.110 121.374 120.400 -0.225 0.000 2.117 368 D HA -0.114 4.529 4.640 0.004 0.000 0.197 368 D C 1.853 178.096 176.300 -0.095 0.000 0.987 368 D CA 1.085 54.962 54.000 -0.206 0.000 0.829 368 D CB 0.079 40.711 40.800 -0.280 0.000 0.961 368 D HN 0.140 nan 8.370 nan 0.000 0.460 369 L N 0.107 121.257 121.223 -0.123 0.000 2.141 369 L HA -0.052 4.290 4.340 0.004 0.000 0.209 369 L C 2.416 179.276 176.870 -0.017 0.000 1.094 369 L CA 0.875 55.656 54.840 -0.098 0.000 0.763 369 L CB -0.273 41.680 42.059 -0.177 0.000 0.908 369 L HN 0.038 nan 8.230 nan 0.000 0.437 370 E N -0.147 120.045 120.200 -0.013 0.000 2.060 370 E HA 0.105 4.457 4.350 0.004 0.000 0.189 370 E C 1.083 177.685 176.600 0.003 0.000 0.974 370 E CA 0.454 56.859 56.400 0.008 0.000 0.808 370 E CB 0.115 29.822 29.700 0.011 0.000 0.768 370 E HN 0.425 nan 8.360 nan 0.000 0.453 377 R N 0.241 120.751 120.500 0.016 0.000 2.075 377 R HA -0.015 4.327 4.340 0.004 0.000 0.232 377 R C 2.486 178.799 176.300 0.020 0.000 1.126 377 R CA 1.456 57.566 56.100 0.015 0.000 0.963 377 R CB -0.222 30.080 30.300 0.003 0.000 0.858 377 R HN 0.453 nan 8.270 nan 0.000 0.435 378 R N 0.824 121.325 120.500 0.003 0.000 2.096 378 R HA -0.215 4.127 4.340 0.004 0.000 0.240 378 R C 2.326 178.672 176.300 0.077 0.000 1.139 378 R CA 1.863 57.963 56.100 0.000 0.000 0.952 378 R CB -0.125 30.133 30.300 -0.069 0.000 0.854 378 R HN -0.068 nan 8.270 nan 0.000 0.436 379 R N 0.273 120.816 120.500 0.071 0.000 2.075 379 R HA 0.031 4.373 4.340 0.004 0.000 0.232 379 R C 1.988 178.335 176.300 0.079 0.000 1.126 379 R CA 1.835 57.986 56.100 0.086 0.000 0.963 379 R CB -0.777 29.558 30.300 0.059 0.000 0.858 379 R HN 0.350 nan 8.270 nan 0.000 0.435 380 A N -0.276 122.582 122.820 0.063 0.000 1.883 380 A HA -0.205 4.118 4.320 0.004 0.000 0.217 380 A C 2.540 180.183 177.584 0.099 0.000 1.186 380 A CA 1.810 53.884 52.037 0.062 0.000 0.624 380 A CB -1.193 17.828 19.000 0.035 0.000 0.822 380 A HN 0.546 nan 8.150 nan 0.000 0.444 381 C N -1.181 118.180 119.300 0.102 0.000 2.440 381 C HA -0.045 4.417 4.460 0.004 0.000 0.278 381 C C 3.019 178.117 174.990 0.180 0.000 1.295 381 C CA 1.429 60.542 59.018 0.158 0.000 1.738 381 C CB -1.491 26.323 27.740 0.123 0.000 1.987 381 C HN 0.654 nan 8.230 nan 0.000 0.492 382 T N 0.761 115.403 114.554 0.146 0.000 2.821 382 T HA -0.143 4.209 4.350 0.004 0.000 0.267 382 T C 1.313 176.048 174.700 0.058 0.000 1.046 382 T CA 1.549 63.718 62.100 0.114 0.000 1.139 382 T CB -0.357 68.597 68.868 0.145 0.000 0.871 382 T HN 0.545 nan 8.240 nan 0.000 0.454 383 D N 0.546 120.996 120.400 0.083 0.000 2.144 383 D HA -0.035 4.607 4.640 0.004 0.000 0.200 383 D C 1.753 178.114 176.300 0.102 0.000 0.978 383 D CA 0.680 54.719 54.000 0.065 0.000 0.833 383 D CB -0.352 40.490 40.800 0.071 0.000 0.961 383 D HN 0.304 nan 8.370 nan 0.000 0.470 384 F N 1.796 121.739 119.950 -0.012 0.000 2.134 384 F HA -0.138 4.392 4.527 0.005 0.000 0.299 384 F C 2.068 177.857 175.800 -0.018 0.000 1.097 384 F CA 0.621 58.612 58.000 -0.015 0.000 1.264 384 F CB -0.523 38.464 39.000 -0.021 0.000 1.001 384 F HN -0.118 nan 8.300 nan 0.000 0.479 385 L N 0.976 122.139 121.223 -0.101 0.000 2.079 385 L HA -0.202 4.140 4.340 0.004 0.000 0.210 385 L C 2.195 178.911 176.870 -0.257 0.000 1.081 385 L CA 1.941 56.638 54.840 -0.237 0.000 0.752 385 L CB -0.920 41.044 42.059 -0.159 0.000 0.896 385 L HN 0.095 nan 8.230 nan 0.000 0.433 386 K N -0.899 119.400 120.400 -0.169 0.000 2.103 386 K HA -0.103 4.219 4.320 0.004 0.000 0.204 386 K C 1.981 178.491 176.600 -0.150 0.000 1.052 386 K CA 1.055 57.249 56.287 -0.155 0.000 0.945 386 K CB -0.142 32.293 32.500 -0.107 0.000 0.722 386 K HN 0.274 nan 8.250 nan 0.000 0.443 387 E N 1.205 121.324 120.200 -0.136 0.000 2.118 387 E HA -0.159 4.193 4.350 0.004 0.000 0.195 387 E C 2.082 178.568 176.600 -0.191 0.000 0.992 387 E CA 1.014 57.337 56.400 -0.129 0.000 0.804 387 E CB -0.151 29.521 29.700 -0.047 0.000 0.741 387 E HN 0.302 nan 8.360 nan 0.000 0.458 388 L N 0.693 121.761 121.223 -0.260 0.000 2.005 388 L HA -0.147 4.195 4.340 0.004 0.000 0.207 388 L C 2.729 179.542 176.870 -0.094 0.000 1.072 388 L CA 1.268 56.012 54.840 -0.160 0.000 0.744 388 L CB -0.525 41.404 42.059 -0.216 0.000 0.895 388 L HN 0.083 nan 8.230 nan 0.000 0.433 389 K N 0.223 120.541 120.400 -0.136 0.000 2.113 389 K HA -0.232 4.090 4.320 0.004 0.000 0.208 389 K C 1.925 178.468 176.600 -0.096 0.000 1.047 389 K CA 1.568 57.789 56.287 -0.111 0.000 0.928 389 K CB 0.046 32.446 32.500 -0.166 0.000 0.716 389 K HN 0.230 nan 8.250 nan 0.000 0.446 390 E N 0.758 120.884 120.200 -0.123 0.000 2.153 390 E HA -0.144 4.208 4.350 0.004 0.000 0.194 390 E C 1.870 178.385 176.600 -0.141 0.000 0.988 390 E CA 0.947 57.275 56.400 -0.120 0.000 0.811 390 E CB 0.043 29.669 29.700 -0.124 0.000 0.746 390 E HN 0.283 nan 8.360 nan 0.000 0.466 391 K N 0.337 120.613 120.400 -0.208 0.000 2.137 391 K HA 0.009 4.331 4.320 0.004 0.000 0.202 391 K C 0.848 177.413 176.600 -0.058 0.000 1.052 391 K CA 0.354 56.453 56.287 -0.314 0.000 0.961 391 K CB 0.096 32.014 32.500 -0.971 0.000 0.741 391 K HN -0.030 nan 8.250 nan 0.000 0.452 392 N N 0.801 119.535 118.700 0.057 0.000 2.653 392 N HA 0.007 4.749 4.740 0.004 0.000 0.261 392 N C 0.167 175.715 175.510 0.062 0.000 1.216 392 N CA 0.041 53.160 53.050 0.114 0.000 0.784 392 N CB 1.224 39.843 38.487 0.220 0.000 1.327 392 N HN 0.043 nan 8.380 nan 0.000 0.539 393 E N 1.687 121.898 120.200 0.019 0.000 2.017 393 E HA -0.116 4.236 4.350 0.004 0.000 0.193 393 E C 1.025 177.636 176.600 0.019 0.000 0.997 393 E CA 1.441 57.839 56.400 -0.002 0.000 0.804 393 E CB 0.276 29.964 29.700 -0.020 0.000 0.757 393 E HN 0.329 nan 8.360 nan 0.000 0.448 394 V N 1.422 121.353 119.914 0.029 0.000 2.252 394 V HA -0.289 3.833 4.120 0.004 0.000 0.249 394 V C 2.499 178.630 176.094 0.062 0.000 1.056 394 V CA 1.805 64.128 62.300 0.039 0.000 1.022 394 V CB -0.720 31.124 31.823 0.035 0.000 0.641 394 V HN 0.356 nan 8.190 nan 0.000 0.445 395 L N 0.062 121.329 121.223 0.073 0.000 1.956 395 L HA -0.158 4.184 4.340 0.004 0.000 0.216 395 L C 2.414 179.366 176.870 0.137 0.000 1.073 395 L CA 2.065 56.961 54.840 0.094 0.000 0.762 395 L CB -0.782 41.334 42.059 0.095 0.000 0.889 395 L HN 0.134 nan 8.230 nan 0.000 0.433 396 V N -0.549 119.455 119.914 0.149 0.000 2.252 396 V HA -0.368 3.754 4.120 0.004 0.000 0.249 396 V C 2.484 178.739 176.094 0.269 0.000 1.056 396 V CA 2.357 64.791 62.300 0.223 0.000 1.022 396 V CB -1.216 30.659 31.823 0.087 0.000 0.641 396 V HN 0.609 nan 8.190 nan 0.000 0.445 397 T N 0.543 115.169 114.554 0.119 0.000 2.607 397 T HA -0.219 4.133 4.350 0.004 0.000 0.267 397 T C 1.816 176.624 174.700 0.179 0.000 1.049 397 T CA 1.902 64.063 62.100 0.102 0.000 1.162 397 T CB -0.493 68.392 68.868 0.028 0.000 0.863 397 T HN 0.479 nan 8.240 nan 0.000 0.424 398 N N 1.170 119.952 118.700 0.137 0.000 2.149 398 N HA -0.033 4.709 4.740 0.004 0.000 0.188 398 N C 1.944 177.541 175.510 0.145 0.000 1.019 398 N CA 0.997 54.119 53.050 0.120 0.000 0.857 398 N CB -0.476 38.061 38.487 0.082 0.000 0.997 398 N HN 0.401 nan 8.380 nan 0.000 0.426 399 I N 0.008 120.690 120.570 0.187 0.000 2.286 399 I HA -0.242 3.930 4.170 0.004 0.000 0.248 399 I C 1.518 177.718 176.117 0.138 0.000 1.115 399 I CA 1.149 62.539 61.300 0.151 0.000 1.392 399 I CB -0.197 37.893 38.000 0.150 0.000 1.065 399 I HN -0.036 nan 8.210 nan 0.000 0.418 400 F N 0.135 120.167 119.950 0.138 0.000 2.416 400 F HA -0.001 4.528 4.527 0.004 0.000 0.296 400 F C 2.186 178.086 175.800 0.166 0.000 1.099 400 F CA 0.732 58.836 58.000 0.173 0.000 1.427 400 F CB -0.473 38.606 39.000 0.131 0.000 1.079 400 F HN -0.093 nan 8.300 nan 0.000 0.536 401 L N -0.535 120.856 121.223 0.281 0.000 2.131 401 L HA -0.212 4.131 4.340 0.004 0.000 0.210 401 L C 2.647 179.573 176.870 0.093 0.000 1.092 401 L CA 1.017 55.972 54.840 0.192 0.000 0.759 401 L CB -0.894 41.255 42.059 0.151 0.000 0.903 401 L HN 0.159 nan 8.230 nan 0.000 0.435 402 A N -0.343 122.505 122.820 0.046 0.000 1.858 402 A HA -0.248 4.074 4.320 0.004 0.000 0.216 402 A C 1.970 179.427 177.584 -0.212 0.000 1.190 402 A CA 1.726 53.711 52.037 -0.087 0.000 0.617 402 A CB -0.796 18.127 19.000 -0.128 0.000 0.827 402 A HN 0.406 nan 8.150 nan 0.000 0.443 403 H N -0.864 118.080 119.070 -0.209 0.000 2.389 403 H HA 0.022 4.580 4.556 0.003 0.000 0.299 403 H C 2.137 177.061 175.328 -0.673 0.000 1.081 403 H CA 1.892 57.658 56.048 -0.469 0.000 1.345 403 H CB -0.216 29.302 29.762 -0.407 0.000 1.393 403 H HN 0.425 nan 8.280 nan 0.000 0.520 404 M N -0.027 119.562 119.600 -0.018 0.000 2.159 404 M HA -0.155 4.327 4.480 0.004 0.000 0.263 404 M C 2.232 178.512 176.300 -0.033 0.000 1.063 404 M CA 1.330 56.748 55.300 0.196 0.000 1.110 404 M CB -0.064 32.739 32.600 0.339 0.000 1.374 404 M HN 0.030 nan 8.290 nan 0.000 0.411 405 K N 0.896 121.248 120.400 -0.081 0.000 2.074 405 K HA -0.118 4.205 4.320 0.004 0.000 0.209 405 K C 1.825 178.349 176.600 -0.127 0.000 1.048 405 K CA 1.929 58.158 56.287 -0.096 0.000 0.926 405 K CB -0.871 31.578 32.500 -0.084 0.000 0.713 405 K HN 0.343 nan 8.250 nan 0.000 0.444 406 G N -0.914 107.755 108.800 -0.218 0.000 2.403 406 G HA2 -0.137 3.825 3.960 0.004 0.000 0.216 406 G HA3 -0.137 3.825 3.960 0.004 0.000 0.216 406 G C 1.453 176.338 174.900 -0.026 0.000 1.154 406 G CA 0.473 45.464 45.100 -0.182 0.000 0.784 406 G HN 0.354 nan 8.290 nan 0.000 0.538 407 F N 0.528 120.535 119.950 0.096 0.000 2.171 407 F HA -0.124 4.405 4.527 0.003 0.000 0.300 407 F C 2.818 178.670 175.800 0.086 0.000 1.090 407 F CA 0.251 58.382 58.000 0.218 0.000 1.293 407 F CB -0.155 39.060 39.000 0.358 0.000 1.013 407 F HN -0.031 nan 8.300 nan 0.000 0.486 408 V N 0.149 120.069 119.914 0.009 0.000 2.295 408 V HA -0.302 3.820 4.120 0.004 0.000 0.246 408 V C 1.765 177.901 176.094 0.069 0.000 1.049 408 V CA 2.056 64.286 62.300 -0.117 0.000 1.024 408 V CB -0.559 31.127 31.823 -0.229 0.000 0.648 408 V HN 0.296 nan 8.190 nan 0.000 0.447 409 D N -0.709 119.702 120.400 0.018 0.000 2.219 409 D HA -0.170 4.472 4.640 0.004 0.000 0.205 409 D C 2.165 178.459 176.300 -0.010 0.000 0.970 409 D CA 0.971 54.971 54.000 0.001 0.000 0.851 409 D CB -0.068 40.714 40.800 -0.030 0.000 0.943 409 D HN 0.402 nan 8.370 nan 0.000 0.488 410 Q N -0.233 119.565 119.800 -0.004 0.000 2.020 410 Q HA -0.148 4.194 4.340 0.004 0.000 0.198 410 Q C 2.004 177.933 176.000 -0.118 0.000 0.974 410 Q CA 1.016 56.727 55.803 -0.153 0.000 0.829 410 Q CB -0.537 27.977 28.738 -0.373 0.000 0.894 410 Q HN 0.370 nan 8.270 nan 0.000 0.433 411 Y N 0.400 120.676 120.300 -0.039 0.000 2.097 411 Y HA -0.287 4.265 4.550 0.004 0.000 0.282 411 Y C 1.867 177.798 175.900 0.050 0.000 1.152 411 Y CA 2.182 60.326 58.100 0.074 0.000 1.136 411 Y CB -0.390 38.232 38.460 0.270 0.000 0.975 411 Y HN 0.129 nan 8.280 nan 0.000 0.498 412 M N 0.163 119.695 119.600 -0.114 0.000 2.192 412 M HA -0.252 4.231 4.480 0.004 0.000 0.256 412 M C 1.095 177.259 176.300 -0.228 0.000 1.076 412 M CA 1.432 56.609 55.300 -0.204 0.000 1.075 412 M CB -0.731 31.848 32.600 -0.034 0.000 1.368 412 M HN 0.147 nan 8.290 nan 0.000 0.406 419 W N 2.655 124.146 121.300 0.318 0.000 2.350 419 W HA -0.105 4.557 4.660 0.003 0.000 0.289 419 W C 0.655 177.275 176.519 0.169 0.000 1.215 419 W CA 0.864 58.409 57.345 0.333 0.000 1.236 419 W CB -0.640 28.942 29.460 0.202 0.000 1.130 419 W HN 0.459 nan 8.180 nan 0.000 0.541 420 K N 0.202 120.081 120.400 -0.869 0.000 2.211 420 K HA -0.168 4.154 4.320 0.004 0.000 0.204 420 K C 1.757 178.068 176.600 -0.481 0.000 1.047 420 K CA 1.996 57.668 56.287 -1.025 0.000 0.935 420 K CB -0.695 31.110 32.500 -1.158 0.000 0.728 420 K HN 0.048 nan 8.250 nan 0.000 0.452 421 F N 1.319 121.137 119.950 -0.220 0.000 2.206 421 F HA -0.100 4.429 4.527 0.003 0.000 0.298 421 F C 2.360 178.144 175.800 -0.027 0.000 1.090 421 F CA 1.064 59.009 58.000 -0.091 0.000 1.323 421 F CB -0.252 38.822 39.000 0.123 0.000 1.028 421 F HN -0.085 nan 8.300 nan 0.000 0.492 422 K N 0.640 121.065 120.400 0.041 0.000 2.057 422 K HA -0.212 4.110 4.320 0.004 0.000 0.207 422 K C 2.043 178.267 176.600 -0.627 0.000 1.049 422 K CA 1.835 57.805 56.287 -0.528 0.000 0.931 422 K CB -0.487 31.517 32.500 -0.826 0.000 0.714 422 K HN 0.198 nan 8.250 nan 0.000 0.440 423 D N 0.075 120.305 120.400 -0.282 0.000 2.178 423 D HA -0.167 4.475 4.640 0.004 0.000 0.201 423 D C 1.890 178.095 176.300 -0.158 0.000 0.980 423 D CA 0.986 54.884 54.000 -0.170 0.000 0.842 423 D CB 0.123 40.869 40.800 -0.089 0.000 0.948 423 D HN 0.255 nan 8.370 nan 0.000 0.472 424 L N 0.926 122.015 121.223 -0.224 0.000 2.005 424 L HA -0.186 4.156 4.340 0.004 0.000 0.207 424 L C 2.460 179.386 176.870 0.094 0.000 1.072 424 L CA 1.789 56.543 54.840 -0.143 0.000 0.744 424 L CB -1.390 40.440 42.059 -0.381 0.000 0.895 424 L HN 0.180 nan 8.230 nan 0.000 0.433 425 Y N -2.086 118.301 120.300 0.145 0.000 2.373 425 Y HA 0.028 4.580 4.550 0.003 0.000 0.293 425 Y C 2.194 178.305 175.900 0.352 0.000 1.129 425 Y CA 0.947 59.236 58.100 0.315 0.000 1.226 425 Y CB -1.133 37.575 38.460 0.412 0.000 1.000 425 Y HN 0.133 nan 8.280 nan 0.000 0.549 426 I N -0.319 120.268 120.570 0.028 0.000 2.226 426 I HA -0.278 3.894 4.170 0.004 0.000 0.245 426 I C 2.374 178.689 176.117 0.330 0.000 1.100 426 I CA 1.775 63.240 61.300 0.275 0.000 1.374 426 I CB -0.495 37.586 38.000 0.135 0.000 1.057 426 I HN 0.271 nan 8.210 nan 0.000 0.413 427 Y N 1.748 122.125 120.300 0.128 0.000 2.145 427 Y HA -0.242 4.311 4.550 0.005 0.000 0.286 427 Y C 2.333 178.309 175.900 0.127 0.000 1.145 427 Y CA 1.727 59.893 58.100 0.110 0.000 1.148 427 Y CB -0.206 38.275 38.460 0.035 0.000 0.981 427 Y HN -0.004 nan 8.280 nan 0.000 0.507 428 L N -1.510 119.886 121.223 0.289 0.000 2.027 428 L HA -0.190 4.153 4.340 0.004 0.000 0.206 428 L C 2.339 179.267 176.870 0.096 0.000 1.074 428 L CA 1.513 56.475 54.840 0.203 0.000 0.745 428 L CB -0.916 41.371 42.059 0.381 0.000 0.898 428 L HN 0.255 nan 8.230 nan 0.000 0.433 429 F N 1.165 121.135 119.950 0.034 0.000 2.091 429 F HA -0.286 4.243 4.527 0.003 0.000 0.299 429 F C 2.513 178.249 175.800 -0.107 0.000 1.103 429 F CA 2.264 60.184 58.000 -0.134 0.000 1.228 429 F CB -0.484 38.215 39.000 -0.501 0.000 0.984 429 F HN -0.042 nan 8.300 nan 0.000 0.477 430 T N 0.591 115.212 114.554 0.112 0.000 2.684 430 T HA -0.220 4.132 4.350 0.004 0.000 0.267 430 T C 2.196 176.835 174.700 -0.101 0.000 1.036 430 T CA 1.595 63.776 62.100 0.135 0.000 1.148 430 T CB -0.941 68.022 68.868 0.158 0.000 0.863 430 T HN 0.395 nan 8.240 nan 0.000 0.436 431 A N 0.998 123.682 122.820 -0.226 0.000 1.940 431 A HA 0.006 4.329 4.320 0.004 0.000 0.219 431 A C 2.279 179.713 177.584 -0.250 0.000 1.176 431 A CA 1.246 53.124 52.037 -0.265 0.000 0.631 431 A CB -0.763 18.048 19.000 -0.316 0.000 0.814 431 A HN 0.501 nan 8.150 nan 0.000 0.446 432 L N -1.270 119.777 121.223 -0.293 0.000 2.179 432 L HA -0.048 4.294 4.340 0.004 0.000 0.208 432 L C 2.979 179.651 176.870 -0.330 0.000 1.096 432 L CA 0.777 55.426 54.840 -0.318 0.000 0.779 432 L CB -0.421 41.447 42.059 -0.319 0.000 0.922 432 L HN 0.406 nan 8.230 nan 0.000 0.443 433 A N 0.236 122.793 122.820 -0.437 0.000 1.929 433 A HA 0.042 4.364 4.320 0.004 0.000 0.216 433 A C 1.285 178.786 177.584 -0.138 0.000 1.176 433 A CA 0.473 52.270 52.037 -0.399 0.000 0.628 433 A CB -0.423 18.177 19.000 -0.666 0.000 0.816 433 A HN 0.239 nan 8.150 nan 0.000 0.444 434 I N 1.935 122.468 120.570 -0.062 0.000 2.471 434 I HA 0.037 4.209 4.170 0.004 0.000 0.286 434 I C -0.676 175.393 176.117 -0.080 0.000 1.079 434 I CA -0.403 60.876 61.300 -0.035 0.000 1.398 434 I CB 0.383 38.335 38.000 -0.080 0.000 1.403 434 I HN 0.179 nan 8.210 nan 0.000 0.530 435 N N 6.075 124.738 118.700 -0.062 0.000 2.408 435 N HA 0.372 5.114 4.740 0.004 0.000 0.257 435 N C 0.569 176.040 175.510 -0.065 0.000 1.064 435 N CA 0.497 53.507 53.050 -0.067 0.000 0.952 435 N CB 1.506 39.961 38.487 -0.053 0.000 1.093 435 N HN 0.977 nan 8.380 nan 0.000 0.490 436 G N 3.093 111.850 108.800 -0.072 0.000 2.498 436 G HA2 -0.262 3.700 3.960 0.004 0.000 0.251 436 G HA3 -0.262 3.700 3.960 0.004 0.000 0.251 436 G C -0.611 174.246 174.900 -0.072 0.000 1.170 436 G CA -0.448 44.613 45.100 -0.064 0.000 0.944 436 G HN 0.578 nan 8.290 nan 0.000 0.567 437 N N -0.306 118.356 118.700 -0.064 0.000 2.312 437 N HA 0.593 5.335 4.740 0.004 0.000 0.296 437 N C -0.275 175.187 175.510 -0.080 0.000 1.193 437 N CA -0.483 52.525 53.050 -0.071 0.000 0.773 437 N CB 2.229 40.685 38.487 -0.052 0.000 1.435 437 N HN 0.750 nan 8.380 nan 0.000 0.484 438 I N 0.783 121.294 120.570 -0.099 0.000 2.638 438 I HA 0.129 4.302 4.170 0.004 0.000 0.286 438 I C 0.749 176.822 176.117 -0.073 0.000 1.088 438 I CA 0.169 61.400 61.300 -0.116 0.000 1.397 438 I CB 0.677 38.582 38.000 -0.157 0.000 1.414 438 I HN 0.681 nan 8.210 nan 0.000 0.566 439 T N 2.404 116.915 114.554 -0.072 0.000 2.804 439 T HA 0.183 4.535 4.350 0.004 0.000 0.272 439 T C 0.876 175.553 174.700 -0.039 0.000 0.986 439 T CA -0.632 61.444 62.100 -0.040 0.000 0.999 439 T CB 0.943 69.792 68.868 -0.031 0.000 1.307 439 T HN 0.702 nan 8.240 nan 0.000 0.586 440 N N -0.131 118.563 118.700 -0.011 0.000 2.453 440 N HA -0.091 4.651 4.740 0.004 0.000 0.183 440 N C 1.511 177.008 175.510 -0.022 0.000 1.041 440 N CA 0.949 54.001 53.050 0.004 0.000 0.900 440 N CB -0.291 38.214 38.487 0.030 0.000 0.961 440 N HN 0.718 nan 8.380 nan 0.000 0.443 441 A N 0.072 122.872 122.820 -0.033 0.000 2.307 441 A HA 0.469 4.791 4.320 0.004 0.000 0.218 441 A C 1.037 178.571 177.584 -0.085 0.000 1.228 441 A CA 0.634 52.648 52.037 -0.038 0.000 0.857 441 A CB -0.333 18.657 19.000 -0.018 0.000 0.897 441 A HN 0.531 nan 8.150 nan 0.000 0.495 442 G N -1.465 107.253 108.800 -0.136 0.000 2.508 442 G HA2 -0.054 3.908 3.960 0.004 0.000 0.220 442 G HA3 -0.054 3.908 3.960 0.004 0.000 0.220 442 G C -0.461 174.337 174.900 -0.171 0.000 1.287 442 G CA -0.363 44.614 45.100 -0.207 0.000 0.916 442 G HN 0.805 nan 8.290 nan 0.000 0.574 443 V N 1.576 121.383 119.914 -0.179 0.000 2.394 443 V HA 0.533 4.655 4.120 0.004 0.000 0.282 443 V C 1.493 177.551 176.094 -0.060 0.000 1.031 443 V CA 0.753 62.974 62.300 -0.132 0.000 0.881 443 V CB 1.335 33.059 31.823 -0.165 0.000 0.982 443 V HN 1.588 nan 8.190 nan 0.000 0.451 444 S N 2.583 118.256 115.700 -0.044 0.000 2.478 444 S HA 0.120 4.593 4.470 0.004 0.000 0.222 444 S C 0.676 175.271 174.600 -0.008 0.000 1.008 444 S CA 0.369 58.555 58.200 -0.023 0.000 0.928 444 S CB 0.145 63.331 63.200 -0.024 0.000 0.781 444 S HN 0.973 nan 8.310 nan 0.000 0.518 445 S N 0.409 116.104 115.700 -0.007 0.000 2.550 445 S HA 0.687 5.159 4.470 0.004 0.000 0.270 445 S C -0.717 173.885 174.600 0.002 0.000 1.145 445 S CA -0.376 57.823 58.200 -0.001 0.000 0.852 445 S CB 1.543 64.736 63.200 -0.011 0.000 1.119 445 S HN 0.581 nan 8.310 nan 0.000 0.465 446 T N -0.660 113.894 114.554 0.001 0.000 2.901 446 T HA 0.567 4.919 4.350 0.004 0.000 0.293 446 T C -0.634 174.039 174.700 -0.044 0.000 1.084 446 T CA -0.913 61.178 62.100 -0.015 0.000 1.008 446 T CB 1.286 70.151 68.868 -0.005 0.000 1.170 446 T HN 0.672 nan 8.240 nan 0.000 0.509 447 N N 1.521 120.171 118.700 -0.083 0.000 2.438 447 N HA 0.031 4.773 4.740 0.004 0.000 0.267 447 N C 0.803 176.276 175.510 -0.062 0.000 1.222 447 N CA -0.087 52.911 53.050 -0.087 0.000 0.930 447 N CB 0.041 38.446 38.487 -0.138 0.000 1.083 447 N HN 0.528 nan 8.380 nan 0.000 0.476 448 N N 3.529 122.210 118.700 -0.033 0.000 2.513 448 N HA -0.124 4.618 4.740 0.004 0.000 0.187 448 N C 0.949 176.458 175.510 -0.001 0.000 1.056 448 N CA 0.688 53.731 53.050 -0.011 0.000 0.907 448 N CB 0.181 38.665 38.487 -0.004 0.000 0.954 448 N HN 0.626 nan 8.380 nan 0.000 0.445 449 L N 0.167 121.383 121.223 -0.011 0.000 2.591 449 L HA 0.216 4.558 4.340 0.004 0.000 0.228 449 L C 0.324 177.209 176.870 0.026 0.000 1.133 449 L CA 0.234 55.080 54.840 0.010 0.000 0.880 449 L CB -0.088 41.974 42.059 0.006 0.000 1.033 449 L HN -0.041 nan 8.230 nan 0.000 0.450 450 L N -0.605 120.622 121.223 0.007 0.000 2.371 450 L HA 0.453 4.795 4.340 0.004 0.000 0.262 450 L C -0.495 176.445 176.870 0.117 0.000 1.006 450 L CA -0.568 54.309 54.840 0.062 0.000 0.818 450 L CB 2.111 44.075 42.059 -0.158 0.000 1.354 450 L HN -0.129 nan 8.230 nan 0.000 0.415 451 N N 0.807 119.657 118.700 0.251 0.000 2.564 451 N HA 0.189 4.931 4.740 0.004 0.000 0.248 451 N C 0.513 176.215 175.510 0.320 0.000 0.986 451 N CA -0.276 52.902 53.050 0.214 0.000 0.921 451 N CB 1.930 40.520 38.487 0.171 0.000 1.136 451 N HN 0.540 nan 8.380 nan 0.000 0.509 452 V N 1.810 121.864 119.914 0.234 0.000 2.490 452 V HA -0.132 3.991 4.120 0.004 0.000 0.250 452 V C 1.777 178.054 176.094 0.306 0.000 1.061 452 V CA 1.245 63.685 62.300 0.234 0.000 1.064 452 V CB -0.718 31.007 31.823 -0.163 0.000 0.670 452 V HN 0.305 nan 8.190 nan 0.000 0.461 453 V N 0.962 121.010 119.914 0.223 0.000 2.323 453 V HA -0.197 3.925 4.120 0.004 0.000 0.244 453 V C 2.650 178.898 176.094 0.256 0.000 1.041 453 V CA 2.357 64.804 62.300 0.245 0.000 1.025 453 V CB -0.915 31.005 31.823 0.161 0.000 0.656 453 V HN 0.595 nan 8.190 nan 0.000 0.451 454 D N -0.069 120.445 120.400 0.190 0.000 2.116 454 D HA -0.248 4.395 4.640 0.004 0.000 0.193 454 D C 1.950 178.306 176.300 0.092 0.000 0.998 454 D CA 1.542 55.621 54.000 0.132 0.000 0.836 454 D CB -0.233 40.642 40.800 0.124 0.000 0.951 454 D HN 0.383 nan 8.370 nan 0.000 0.449 455 F N -0.141 119.777 119.950 -0.053 0.000 2.234 455 F HA -0.087 4.442 4.527 0.003 0.000 0.299 455 F C 1.961 177.620 175.800 -0.235 0.000 1.087 455 F CA 0.897 58.738 58.000 -0.266 0.000 1.340 455 F CB -0.455 38.127 39.000 -0.697 0.000 1.031 455 F HN -0.038 nan 8.300 nan 0.000 0.500 456 F N 0.985 120.862 119.950 -0.122 0.000 2.060 456 F HA -0.168 4.361 4.527 0.004 0.000 0.295 456 F C 2.437 178.114 175.800 -0.204 0.000 1.120 456 F CA 2.402 60.278 58.000 -0.206 0.000 1.205 456 F CB -1.152 37.908 39.000 0.100 0.000 0.986 456 F HN -0.132 nan 8.300 nan 0.000 0.470 457 T N 0.552 115.024 114.554 -0.137 0.000 2.737 457 T HA -0.277 4.075 4.350 0.004 0.000 0.269 457 T C 1.990 176.512 174.700 -0.297 0.000 1.040 457 T CA 2.031 64.000 62.100 -0.219 0.000 1.142 457 T CB -0.359 68.510 68.868 0.002 0.000 0.861 457 T HN 0.300 nan 8.240 nan 0.000 0.456 458 K N 0.247 120.474 120.400 -0.288 0.000 2.128 458 K HA 0.024 4.346 4.320 0.004 0.000 0.202 458 K C 2.185 178.556 176.600 -0.382 0.000 1.050 458 K CA 0.944 57.063 56.287 -0.281 0.000 0.966 458 K CB 0.148 32.523 32.500 -0.207 0.000 0.759 458 K HN 0.075 nan 8.250 nan 0.000 0.454 459 E N -0.225 119.594 120.200 -0.635 0.000 2.389 459 E HA 0.100 4.452 4.350 0.004 0.000 0.199 459 E C 1.473 177.715 176.600 -0.597 0.000 0.978 459 E CA 0.234 56.236 56.400 -0.663 0.000 0.912 459 E CB 0.435 29.452 29.700 -1.139 0.000 0.907 459 E HN 0.191 nan 8.360 nan 0.000 0.494 460 I N 0.125 120.269 120.570 -0.710 0.000 2.726 460 I HA 0.150 4.322 4.170 0.004 0.000 0.243 460 I C 2.281 178.092 176.117 -0.510 0.000 1.082 460 I CA 1.061 62.014 61.300 -0.578 0.000 1.447 460 I CB -1.594 36.046 38.000 -0.601 0.000 1.250 460 I HN 0.097 nan 8.210 nan 0.000 0.453 461 A N 2.281 124.583 122.820 -0.863 0.000 1.896 461 A HA -0.200 4.122 4.320 0.004 0.000 0.220 461 A C 0.151 177.581 177.584 -0.256 0.000 1.206 461 A CA 2.470 54.146 52.037 -0.601 0.000 0.647 461 A CB -2.309 16.284 19.000 -0.679 0.000 0.828 461 A HN 0.286 nan 8.150 nan 0.000 0.455 462 P HA -0.144 nan 4.420 nan 0.000 0.216 462 P C 0.506 177.772 177.300 -0.056 0.000 1.153 462 P CA 1.597 64.626 63.100 -0.118 0.000 0.858 462 P CB -0.153 31.478 31.700 -0.115 0.000 0.789 463 D N -1.505 118.855 120.400 -0.067 0.000 2.312 463 D HA -0.040 4.602 4.640 0.004 0.000 0.211 463 D C 1.918 178.261 176.300 0.071 0.000 0.964 463 D CA 0.661 54.661 54.000 -0.000 0.000 0.877 463 D CB -0.426 40.357 40.800 -0.028 0.000 0.924 463 D HN 0.209 nan 8.370 nan 0.000 0.515 464 L N 0.442 121.718 121.223 0.088 0.000 2.023 464 L HA -0.107 4.235 4.340 0.004 0.000 0.205 464 L C 2.413 179.410 176.870 0.213 0.000 1.073 464 L CA 1.589 56.580 54.840 0.252 0.000 0.745 464 L CB -0.581 41.619 42.059 0.236 0.000 0.900 464 L HN 0.106 nan 8.230 nan 0.000 0.435 465 T N -3.639 110.961 114.554 0.077 0.000 3.057 465 T HA 0.027 4.379 4.350 0.004 0.000 0.254 465 T C 1.034 175.752 174.700 0.029 0.000 1.094 465 T CA 0.233 62.348 62.100 0.024 0.000 1.088 465 T CB -0.385 68.477 68.868 -0.009 0.000 0.934 465 T HN 0.294 nan 8.240 nan 0.000 0.497 466 S N 2.760 118.484 115.700 0.039 0.000 2.629 466 S HA -0.023 4.449 4.470 0.004 0.000 0.302 466 S C 1.283 175.908 174.600 0.041 0.000 1.244 466 S CA -0.448 57.772 58.200 0.034 0.000 1.098 466 S CB 0.066 63.289 63.200 0.039 0.000 0.858 466 S HN 0.378 nan 8.310 nan 0.000 0.502 467 N N 3.258 121.974 118.700 0.026 0.000 2.258 467 N HA -0.196 4.546 4.740 0.004 0.000 0.187 467 N C 0.046 175.574 175.510 0.031 0.000 1.012 467 N CA 1.403 54.468 53.050 0.025 0.000 0.870 467 N CB -0.487 38.008 38.487 0.013 0.000 0.977 467 N HN 0.950 nan 8.380 nan 0.000 0.434 468 N N 0.176 118.893 118.700 0.030 0.000 2.240 468 N HA 0.306 5.048 4.740 0.004 0.000 0.302 468 N C -1.180 174.352 175.510 0.036 0.000 1.106 468 N CA -0.626 52.439 53.050 0.026 0.000 0.778 468 N CB 2.177 40.673 38.487 0.016 0.000 1.431 468 N HN 0.116 nan 8.380 nan 0.000 0.479 469 I N 1.052 121.639 120.570 0.028 0.000 2.619 469 I HA 0.343 4.515 4.170 0.004 0.000 0.292 469 I C -1.727 174.404 176.117 0.024 0.000 1.100 469 I CA -2.126 59.199 61.300 0.042 0.000 1.043 469 I CB 2.485 40.506 38.000 0.036 0.000 1.239 469 I HN 0.351 nan 8.210 nan 0.000 0.420 470 P HA -0.160 nan 4.420 nan 0.000 0.218 470 P C -0.739 176.545 177.300 -0.026 0.000 1.154 470 P CA 1.548 64.712 63.100 0.106 0.000 0.872 470 P CB -0.018 31.861 31.700 0.299 0.000 0.790 471 H N -3.449 115.478 119.070 -0.237 0.000 3.086 471 H HA 0.184 4.742 4.556 0.004 0.000 0.353 471 H C 0.874 175.956 175.328 -0.410 0.000 1.134 471 H CA -0.711 55.011 56.048 -0.543 0.000 1.248 471 H CB 0.803 29.742 29.762 -1.372 0.000 1.878 471 H HN -0.226 nan 8.280 nan 0.000 0.527 472 I N 2.519 122.864 120.570 -0.375 0.000 2.530 472 I HA -0.153 4.020 4.170 0.004 0.000 0.257 472 I C 1.236 177.290 176.117 -0.106 0.000 1.179 472 I CA 1.081 62.282 61.300 -0.165 0.000 1.440 472 I CB -0.583 37.339 38.000 -0.130 0.000 1.087 472 I HN 0.584 nan 8.210 nan 0.000 0.440 473 I N 0.877 121.376 120.570 -0.117 0.000 2.361 473 I HA -0.218 3.954 4.170 0.004 0.000 0.251 473 I C 2.465 178.520 176.117 -0.104 0.000 1.133 473 I CA 1.503 62.636 61.300 -0.277 0.000 1.413 473 I CB -0.933 36.756 38.000 -0.519 0.000 1.073 473 I HN 0.384 nan 8.210 nan 0.000 0.424 474 L N -0.167 121.014 121.223 -0.069 0.000 2.201 474 L HA -0.172 4.170 4.340 0.004 0.000 0.212 474 L C 2.654 179.507 176.870 -0.030 0.000 1.105 474 L CA 0.736 55.569 54.840 -0.013 0.000 0.775 474 L CB -0.484 41.592 42.059 0.027 0.000 0.913 474 L HN 0.160 nan 8.230 nan 0.000 0.440 475 R N -0.034 120.442 120.500 -0.041 0.000 2.090 475 R HA -0.091 4.251 4.340 0.004 0.000 0.228 475 R C 2.051 178.285 176.300 -0.111 0.000 1.110 475 R CA 1.144 57.209 56.100 -0.058 0.000 0.973 475 R CB -0.393 29.869 30.300 -0.064 0.000 0.869 475 R HN 0.078 nan 8.270 nan 0.000 0.440 476 V N 1.090 120.953 119.914 -0.085 0.000 2.358 476 V HA -0.205 3.917 4.120 0.004 0.000 0.246 476 V C 1.495 177.494 176.094 -0.160 0.000 1.047 476 V CA 2.081 64.310 62.300 -0.118 0.000 1.035 476 V CB -0.476 31.361 31.823 0.023 0.000 0.658 476 V HN 0.342 nan 8.190 nan 0.000 0.452 477 D N 0.614 120.975 120.400 -0.065 0.000 2.182 477 D HA -0.144 4.498 4.640 0.004 0.000 0.201 477 D C 2.209 178.545 176.300 0.060 0.000 0.986 477 D CA 1.619 55.617 54.000 -0.004 0.000 0.847 477 D CB -0.204 40.618 40.800 0.036 0.000 0.942 477 D HN 0.462 nan 8.370 nan 0.000 0.467 478 A N 0.939 123.777 122.820 0.030 0.000 1.877 478 A HA -0.133 4.189 4.320 0.004 0.000 0.216 478 A C 2.394 180.086 177.584 0.180 0.000 1.186 478 A CA 0.884 52.976 52.037 0.092 0.000 0.620 478 A CB -0.705 18.321 19.000 0.044 0.000 0.822 478 A HN 0.165 nan 8.150 nan 0.000 0.443 479 I N -0.501 120.105 120.570 0.060 0.000 2.179 479 I HA -0.265 3.907 4.170 0.004 0.000 0.242 479 I C 2.542 178.732 176.117 0.122 0.000 1.088 479 I CA 1.880 63.233 61.300 0.089 0.000 1.357 479 I CB -0.265 37.703 38.000 -0.052 0.000 1.051 479 I HN 0.374 nan 8.210 nan 0.000 0.409 480 K N 0.428 120.776 120.400 -0.086 0.000 2.152 480 K HA -0.267 4.055 4.320 0.004 0.000 0.206 480 K C 2.317 179.042 176.600 0.210 0.000 1.048 480 K CA 1.576 57.806 56.287 -0.096 0.000 0.933 480 K CB -0.257 32.014 32.500 -0.383 0.000 0.721 480 K HN 0.276 nan 8.250 nan 0.000 0.447 481 Y N 1.087 121.493 120.300 0.175 0.000 2.181 481 Y HA -0.179 4.373 4.550 0.003 0.000 0.288 481 Y C 1.771 177.878 175.900 0.346 0.000 1.146 481 Y CA 1.688 59.990 58.100 0.336 0.000 1.164 481 Y CB 0.005 38.717 38.460 0.421 0.000 0.982 481 Y HN 0.001 nan 8.280 nan 0.000 0.515 482 I N -0.929 119.940 120.570 0.498 0.000 2.226 482 I HA -0.338 3.834 4.170 0.004 0.000 0.245 482 I C 2.183 178.398 176.117 0.163 0.000 1.100 482 I CA 1.718 63.204 61.300 0.310 0.000 1.374 482 I CB -0.610 37.565 38.000 0.291 0.000 1.057 482 I HN 0.310 nan 8.210 nan 0.000 0.413 483 Y N 1.730 122.078 120.300 0.080 0.000 2.128 483 Y HA -0.305 4.248 4.550 0.005 0.000 0.284 483 Y C 2.670 178.517 175.900 -0.088 0.000 1.154 483 Y CA 2.340 60.455 58.100 0.026 0.000 1.149 483 Y CB -0.656 37.867 38.460 0.105 0.000 0.976 483 Y HN 0.044 nan 8.280 nan 0.000 0.505 484 T N 0.265 114.735 114.554 -0.140 0.000 2.674 484 T HA -0.189 4.163 4.350 0.004 0.000 0.265 484 T C 0.999 175.235 174.700 -0.773 0.000 1.039 484 T CA 1.855 63.629 62.100 -0.542 0.000 1.150 484 T CB -0.592 67.836 68.868 -0.733 0.000 0.864 484 T HN 0.296 nan 8.240 nan 0.000 0.427 485 F N 1.852 121.648 119.950 -0.256 0.000 2.713 485 F HA 0.299 4.828 4.527 0.002 0.000 0.294 485 F C 1.845 177.554 175.800 -0.151 0.000 1.152 485 F CA -0.778 57.090 58.000 -0.219 0.000 1.385 485 F CB -0.308 38.525 39.000 -0.278 0.000 0.981 485 F HN 0.083 nan 8.300 nan 0.000 0.514 486 R N -0.314 120.140 120.500 -0.078 0.000 2.139 486 R HA -0.194 4.148 4.340 0.004 0.000 0.243 486 R C 1.188 177.475 176.300 -0.021 0.000 1.145 486 R CA 1.822 57.888 56.100 -0.057 0.000 0.976 486 R CB -0.615 29.614 30.300 -0.118 0.000 0.866 486 R HN 0.166 nan 8.270 nan 0.000 0.449 487 N N 0.648 119.331 118.700 -0.028 0.000 2.459 487 N HA -0.095 4.647 4.740 0.004 0.000 0.181 487 N C 1.067 176.597 175.510 0.034 0.000 1.046 487 N CA 0.982 54.032 53.050 0.001 0.000 0.904 487 N CB 0.079 38.557 38.487 -0.015 0.000 0.964 487 N HN 0.379 nan 8.380 nan 0.000 0.444 488 Q N -0.052 119.787 119.800 0.065 0.000 2.408 488 Q HA 0.270 4.612 4.340 0.004 0.000 0.205 488 Q C 0.149 176.177 176.000 0.046 0.000 0.919 488 Q CA 0.154 56.001 55.803 0.073 0.000 0.932 488 Q CB 0.352 29.162 28.738 0.120 0.000 1.058 488 Q HN 0.310 nan 8.270 nan 0.000 0.517 489 L N 0.730 121.967 121.223 0.022 0.000 2.379 489 L HA 0.391 4.733 4.340 0.004 0.000 0.269 489 L C 0.628 177.511 176.870 0.022 0.000 1.084 489 L CA -0.850 53.984 54.840 -0.009 0.000 0.802 489 L CB 1.110 43.118 42.059 -0.085 0.000 1.175 489 L HN 0.045 nan 8.230 nan 0.000 0.448 490 T N -2.175 112.395 114.554 0.026 0.000 2.828 490 T HA 0.107 4.460 4.350 0.004 0.000 0.290 490 T C 0.927 175.652 174.700 0.042 0.000 1.019 490 T CA -0.591 61.529 62.100 0.033 0.000 1.031 490 T CB 1.328 70.215 68.868 0.031 0.000 1.001 490 T HN 0.690 nan 8.240 nan 0.000 0.531 491 K N 0.588 120.999 120.400 0.019 0.000 2.032 491 K HA -0.128 4.194 4.320 0.004 0.000 0.209 491 K C 2.502 179.097 176.600 -0.009 0.000 1.048 491 K CA 1.367 57.642 56.287 -0.020 0.000 0.927 491 K CB -0.918 31.507 32.500 -0.125 0.000 0.712 491 K HN 0.742 nan 8.250 nan 0.000 0.441 492 A N 1.165 123.982 122.820 -0.004 0.000 1.917 492 A HA -0.264 4.058 4.320 0.004 0.000 0.219 492 A C 2.027 179.645 177.584 0.057 0.000 1.182 492 A CA 1.871 53.917 52.037 0.016 0.000 0.633 492 A CB -0.628 18.384 19.000 0.020 0.000 0.819 492 A HN 0.538 nan 8.150 nan 0.000 0.448 493 Q N -0.545 119.294 119.800 0.065 0.000 2.119 493 Q HA -0.039 4.303 4.340 0.004 0.000 0.201 493 Q C 2.084 178.146 176.000 0.103 0.000 0.972 493 Q CA 1.293 57.147 55.803 0.083 0.000 0.847 493 Q CB -0.310 28.456 28.738 0.046 0.000 0.903 493 Q HN 0.685 nan 8.270 nan 0.000 0.433 494 L N 0.202 121.501 121.223 0.127 0.000 2.056 494 L HA -0.168 4.174 4.340 0.004 0.000 0.207 494 L C 2.308 179.358 176.870 0.299 0.000 1.078 494 L CA 0.924 55.892 54.840 0.213 0.000 0.749 494 L CB -0.338 41.928 42.059 0.346 0.000 0.901 494 L HN 0.243 nan 8.230 nan 0.000 0.433 495 I N -0.014 120.725 120.570 0.281 0.000 2.286 495 I HA -0.309 3.863 4.170 0.004 0.000 0.248 495 I C 2.602 178.816 176.117 0.161 0.000 1.115 495 I CA 1.395 62.835 61.300 0.233 0.000 1.392 495 I CB -0.160 37.875 38.000 0.058 0.000 1.065 495 I HN 0.353 nan 8.210 nan 0.000 0.418 496 E N 1.173 121.452 120.200 0.132 0.000 2.150 496 E HA -0.180 4.172 4.350 0.004 0.000 0.193 496 E C 2.202 178.879 176.600 0.128 0.000 0.985 496 E CA 0.869 57.338 56.400 0.115 0.000 0.814 496 E CB 0.052 29.821 29.700 0.115 0.000 0.752 496 E HN 0.493 nan 8.360 nan 0.000 0.466 497 L N 0.150 121.467 121.223 0.156 0.000 2.341 497 L HA -0.054 4.288 4.340 0.004 0.000 0.214 497 L C 2.442 179.390 176.870 0.130 0.000 1.115 497 L CA 0.019 54.959 54.840 0.166 0.000 0.820 497 L CB -0.288 41.887 42.059 0.192 0.000 0.944 497 L HN 0.271 nan 8.230 nan 0.000 0.452 498 M N 0.570 120.244 119.600 0.122 0.000 2.065 498 M HA -0.119 4.363 4.480 0.004 0.000 0.259 498 M C -0.174 176.163 176.300 0.062 0.000 1.069 498 M CA 2.098 57.452 55.300 0.090 0.000 1.110 498 M CB -2.009 30.664 32.600 0.123 0.000 1.328 498 M HN 0.092 nan 8.290 nan 0.000 0.405 499 P HA -0.066 nan 4.420 nan 0.000 0.223 499 P C 1.711 178.992 177.300 -0.032 0.000 1.151 499 P CA 1.234 64.341 63.100 0.013 0.000 0.787 499 P CB -0.155 31.553 31.700 0.013 0.000 0.788 500 I N -0.692 119.863 120.570 -0.025 0.000 2.277 500 I HA -0.159 4.013 4.170 0.004 0.000 0.243 500 I C 2.627 178.632 176.117 -0.186 0.000 1.094 500 I CA 0.918 62.138 61.300 -0.134 0.000 1.393 500 I CB -0.589 37.386 38.000 -0.041 0.000 1.078 500 I HN -0.168 nan 8.210 nan 0.000 0.417 501 L N 0.741 122.011 121.223 0.078 0.000 2.046 501 L HA -0.208 4.134 4.340 0.004 0.000 0.208 501 L C 2.847 179.829 176.870 0.186 0.000 1.077 501 L CA 1.415 56.426 54.840 0.285 0.000 0.747 501 L CB -0.720 41.482 42.059 0.237 0.000 0.896 501 L HN 0.242 nan 8.230 nan 0.000 0.432 502 A N -0.645 122.218 122.820 0.071 0.000 1.972 502 A HA -0.199 4.123 4.320 0.004 0.000 0.219 502 A C 2.330 179.926 177.584 0.019 0.000 1.169 502 A CA 2.270 54.337 52.037 0.049 0.000 0.635 502 A CB -0.833 18.180 19.000 0.022 0.000 0.810 502 A HN 0.402 nan 8.150 nan 0.000 0.446 503 T N -0.757 113.752 114.554 -0.075 0.000 2.867 503 T HA -0.059 4.293 4.350 0.004 0.000 0.268 503 T C 1.401 176.068 174.700 -0.055 0.000 1.057 503 T CA 1.167 63.196 62.100 -0.119 0.000 1.136 503 T CB -0.467 68.263 68.868 -0.231 0.000 0.874 503 T HN 0.521 nan 8.240 nan 0.000 0.466 504 F N 1.043 121.033 119.950 0.068 0.000 2.333 504 F HA 0.036 4.565 4.527 0.003 0.000 0.300 504 F C 1.817 177.681 175.800 0.107 0.000 1.083 504 F CA 0.417 58.474 58.000 0.095 0.000 1.395 504 F CB -0.497 38.573 39.000 0.116 0.000 1.056 504 F HN 0.114 nan 8.300 nan 0.000 0.529 505 L N -0.409 120.952 121.223 0.230 0.000 2.551 505 L HA -0.150 4.193 4.340 0.004 0.000 0.228 505 L C 1.421 178.299 176.870 0.014 0.000 1.153 505 L CA 0.894 55.803 54.840 0.114 0.000 0.851 505 L CB -0.529 41.567 42.059 0.061 0.000 0.959 505 L HN 0.258 nan 8.230 nan 0.000 0.451 506 Q N -1.125 118.702 119.800 0.045 0.000 2.247 506 Q HA 0.133 4.475 4.340 0.004 0.000 0.204 506 Q C 0.375 176.399 176.000 0.039 0.000 0.872 506 Q CA -0.084 55.720 55.803 0.003 0.000 0.951 506 Q CB 0.597 29.333 28.738 -0.002 0.000 1.099 506 Q HN 0.285 nan 8.270 nan 0.000 0.501 507 T N 0.674 115.301 114.554 0.121 0.000 2.847 507 T HA -0.009 4.343 4.350 0.004 0.000 0.279 507 T C 0.697 175.515 174.700 0.197 0.000 0.984 507 T CA -0.334 61.876 62.100 0.183 0.000 0.988 507 T CB 1.063 70.109 68.868 0.297 0.000 1.040 507 T HN 0.106 nan 8.240 nan 0.000 0.528 508 D N 0.212 120.735 120.400 0.206 0.000 2.355 508 D HA 0.001 4.643 4.640 0.004 0.000 0.206 508 D C -0.061 176.429 176.300 0.317 0.000 1.010 508 D CA 0.280 54.414 54.000 0.223 0.000 0.875 508 D CB 0.428 41.311 40.800 0.138 0.000 0.966 508 D HN 0.549 nan 8.370 nan 0.000 0.512 509 E N 0.666 121.017 120.200 0.251 0.000 2.166 509 E HA 0.001 4.353 4.350 0.004 0.000 0.279 509 E C 0.281 176.813 176.600 -0.113 0.000 1.095 509 E CA -0.307 56.167 56.400 0.123 0.000 0.888 509 E CB 0.913 30.668 29.700 0.092 0.000 1.041 509 E HN 0.223 nan 8.360 nan 0.000 0.414 510 Y N 3.544 123.632 120.300 -0.352 0.000 2.002 510 Y HA -0.396 4.156 4.550 0.003 0.000 0.268 510 Y C 1.875 177.259 175.900 -0.860 0.000 1.177 510 Y CA 1.866 59.470 58.100 -0.827 0.000 1.111 510 Y CB 0.077 38.294 38.460 -0.404 0.000 0.952 510 Y HN 0.375 nan 8.280 nan 0.000 0.491 511 V N -1.219 118.554 119.914 -0.235 0.000 2.490 511 V HA -0.285 3.837 4.120 0.004 0.000 0.250 511 V C 2.093 178.156 176.094 -0.052 0.000 1.061 511 V CA 1.471 63.682 62.300 -0.148 0.000 1.064 511 V CB -0.613 31.033 31.823 -0.294 0.000 0.670 511 V HN 0.354 nan 8.190 nan 0.000 0.461 512 V N 0.411 120.266 119.914 -0.098 0.000 2.323 512 V HA -0.230 3.892 4.120 0.004 0.000 0.244 512 V C 2.379 178.457 176.094 -0.027 0.000 1.041 512 V CA 2.375 64.620 62.300 -0.091 0.000 1.025 512 V CB -0.841 30.930 31.823 -0.085 0.000 0.656 512 V HN 0.767 nan 8.190 nan 0.000 0.451 513 Y N 0.290 120.611 120.300 0.036 0.000 2.373 513 Y HA -0.057 4.495 4.550 0.003 0.000 0.293 513 Y C 2.311 178.227 175.900 0.026 0.000 1.129 513 Y CA 1.317 59.448 58.100 0.052 0.000 1.226 513 Y CB -1.818 36.661 38.460 0.031 0.000 1.000 513 Y HN 0.109 nan 8.280 nan 0.000 0.549 514 T N -0.223 114.320 114.554 -0.019 0.000 2.809 514 T HA -0.143 4.209 4.350 0.004 0.000 0.260 514 T C 1.475 176.119 174.700 -0.094 0.000 1.039 514 T CA 1.566 63.669 62.100 0.005 0.000 1.141 514 T CB -0.676 68.148 68.868 -0.073 0.000 0.869 514 T HN 0.454 nan 8.240 nan 0.000 0.437 515 Y N 1.445 121.669 120.300 -0.126 0.000 2.274 515 Y HA -0.040 4.512 4.550 0.003 0.000 0.290 515 Y C 2.611 178.464 175.900 -0.079 0.000 1.145 515 Y CA 0.789 58.790 58.100 -0.164 0.000 1.203 515 Y CB -0.279 38.092 38.460 -0.149 0.000 0.984 515 Y HN 0.210 nan 8.280 nan 0.000 0.533 516 A N -0.145 122.754 122.820 0.132 0.000 1.877 516 A HA -0.179 4.144 4.320 0.004 0.000 0.216 516 A C 2.388 180.054 177.584 0.136 0.000 1.186 516 A CA 1.737 53.876 52.037 0.170 0.000 0.620 516 A CB -1.288 17.864 19.000 0.254 0.000 0.822 516 A HN 0.445 nan 8.150 nan 0.000 0.443 517 A N -0.088 122.797 122.820 0.109 0.000 1.902 517 A HA -0.090 4.232 4.320 0.004 0.000 0.217 517 A C 2.127 179.728 177.584 0.028 0.000 1.181 517 A CA 1.571 53.653 52.037 0.076 0.000 0.623 517 A CB -0.621 18.440 19.000 0.102 0.000 0.818 517 A HN 0.506 nan 8.150 nan 0.000 0.443 518 I N -0.624 119.925 120.570 -0.035 0.000 2.252 518 I HA -0.207 3.965 4.170 0.004 0.000 0.245 518 I C 2.560 178.707 176.117 0.051 0.000 1.102 518 I CA 1.694 62.945 61.300 -0.082 0.000 1.385 518 I CB -0.617 37.140 38.000 -0.406 0.000 1.064 518 I HN 0.245 nan 8.210 nan 0.000 0.414 519 T N 1.155 115.779 114.554 0.117 0.000 2.746 519 T HA -0.105 4.247 4.350 0.004 0.000 0.267 519 T C 1.946 176.697 174.700 0.086 0.000 1.039 519 T CA 1.320 63.555 62.100 0.226 0.000 1.142 519 T CB -0.241 68.781 68.868 0.257 0.000 0.866 519 T HN 0.221 nan 8.240 nan 0.000 0.444 520 I N 0.929 121.524 120.570 0.041 0.000 2.208 520 I HA -0.164 4.008 4.170 0.004 0.000 0.245 520 I C 2.872 178.924 176.117 -0.109 0.000 1.097 520 I CA 1.285 62.556 61.300 -0.048 0.000 1.363 520 I CB -0.321 37.665 38.000 -0.023 0.000 1.051 520 I HN 0.274 nan 8.210 nan 0.000 0.413 521 E N 1.302 121.463 120.200 -0.065 0.000 2.058 521 E HA -0.251 4.101 4.350 0.004 0.000 0.194 521 E C 2.066 178.599 176.600 -0.111 0.000 0.997 521 E CA 1.320 57.660 56.400 -0.100 0.000 0.801 521 E CB 0.105 29.768 29.700 -0.062 0.000 0.746 521 E HN 0.291 nan 8.360 nan 0.000 0.450 522 K N 0.481 120.858 120.400 -0.038 0.000 2.148 522 K HA -0.069 4.253 4.320 0.004 0.000 0.204 522 K C 2.292 178.818 176.600 -0.122 0.000 1.050 522 K CA 0.618 56.874 56.287 -0.051 0.000 0.942 522 K CB -0.391 32.108 32.500 -0.002 0.000 0.724 522 K HN 0.301 nan 8.250 nan 0.000 0.446 523 I N 0.989 121.460 120.570 -0.165 0.000 2.286 523 I HA -0.237 3.935 4.170 0.004 0.000 0.248 523 I C 1.879 177.781 176.117 -0.358 0.000 1.115 523 I CA 0.933 62.075 61.300 -0.263 0.000 1.392 523 I CB -0.166 37.605 38.000 -0.381 0.000 1.065 523 I HN 0.015 nan 8.210 nan 0.000 0.418 524 L N 0.188 121.182 121.223 -0.382 0.000 2.622 524 L HA -0.070 4.272 4.340 0.004 0.000 0.233 524 L C 2.094 178.704 176.870 -0.433 0.000 1.156 524 L CA 1.060 55.663 54.840 -0.395 0.000 0.866 524 L CB -0.743 41.089 42.059 -0.379 0.000 0.980 524 L HN 0.407 nan 8.230 nan 0.000 0.448 525 T N -3.792 110.609 114.554 -0.257 0.000 3.054 525 T HA 0.272 4.625 4.350 0.004 0.000 0.255 525 T C 0.670 175.512 174.700 0.237 0.000 1.035 525 T CA -0.326 61.694 62.100 -0.133 0.000 0.941 525 T CB -0.178 68.669 68.868 -0.035 0.000 1.026 525 T HN 0.032 nan 8.240 nan 0.000 0.533 526 I N 3.358 124.026 120.570 0.164 0.000 2.533 526 I HA 0.233 4.405 4.170 0.004 0.000 0.284 526 I C 0.617 176.917 176.117 0.305 0.000 1.109 526 I CA -0.567 60.845 61.300 0.186 0.000 1.412 526 I CB 0.453 38.520 38.000 0.113 0.000 1.396 526 I HN 0.012 nan 8.210 nan 0.000 0.543 527 R N 5.582 126.189 120.500 0.178 0.000 2.528 527 R HA 0.217 4.559 4.340 0.004 0.000 0.271 527 R C 0.771 177.094 176.300 0.038 0.000 1.056 527 R CA -0.508 55.618 56.100 0.043 0.000 1.117 527 R CB 0.818 31.076 30.300 -0.070 0.000 1.085 527 R HN 0.614 nan 8.270 nan 0.000 0.530 528 E N 0.504 120.712 120.200 0.013 0.000 2.107 528 E HA -0.085 4.267 4.350 0.004 0.000 0.191 528 E C 0.327 176.934 176.600 0.010 0.000 0.982 528 E CA 1.025 57.441 56.400 0.027 0.000 0.809 528 E CB 0.245 29.970 29.700 0.042 0.000 0.756 528 E HN 0.626 nan 8.360 nan 0.000 0.459 529 S N -1.030 114.663 115.700 -0.011 0.000 2.611 529 S HA 0.185 4.658 4.470 0.004 0.000 0.268 529 S C -0.274 174.309 174.600 -0.028 0.000 1.156 529 S CA -0.858 57.335 58.200 -0.012 0.000 0.817 529 S CB 1.126 64.322 63.200 -0.007 0.000 1.122 529 S HN -0.032 nan 8.310 nan 0.000 0.466 530 N N 0.227 118.916 118.700 -0.020 0.000 2.461 530 N HA 0.055 4.797 4.740 0.004 0.000 0.188 530 N C 1.466 176.961 175.510 -0.024 0.000 1.134 530 N CA 1.369 54.405 53.050 -0.023 0.000 0.878 530 N CB -0.015 38.464 38.487 -0.013 0.000 0.972 530 N HN 0.770 nan 8.380 nan 0.000 0.456 531 T N -3.963 110.578 114.554 -0.022 0.000 3.057 531 T HA 0.129 4.481 4.350 0.004 0.000 0.254 531 T C 0.711 175.396 174.700 -0.025 0.000 1.094 531 T CA 0.098 62.187 62.100 -0.018 0.000 1.088 531 T CB -0.232 68.630 68.868 -0.011 0.000 0.934 531 T HN 0.114 nan 8.240 nan 0.000 0.497 532 S N 1.284 116.961 115.700 -0.037 0.000 2.568 532 S HA 0.590 5.063 4.470 0.004 0.000 0.293 532 S C -2.342 172.201 174.600 -0.094 0.000 1.089 532 S CA -1.440 56.732 58.200 -0.047 0.000 0.945 532 S CB 2.267 65.449 63.200 -0.031 0.000 1.077 532 S HN 0.005 nan 8.310 nan 0.000 0.485 533 P HA 0.169 nan 4.420 nan 0.000 0.236 533 P C 0.506 177.588 177.300 -0.363 0.000 1.177 533 P CA 0.261 63.233 63.100 -0.214 0.000 0.773 533 P CB -0.299 31.328 31.700 -0.121 0.000 0.878 534 A N 0.385 123.092 122.820 -0.188 0.000 2.520 534 A HA 0.260 4.583 4.320 0.004 0.000 0.245 534 A C -0.080 177.404 177.584 -0.167 0.000 1.072 534 A CA -0.014 51.968 52.037 -0.093 0.000 0.761 534 A CB -0.700 18.347 19.000 0.079 0.000 1.004 534 A HN 0.035 nan 8.150 nan 0.000 0.499 535 F N 1.634 121.649 119.950 0.109 0.000 2.370 535 F HA 0.274 4.804 4.527 0.004 0.000 0.324 535 F C 1.610 177.367 175.800 -0.071 0.000 1.116 535 F CA -0.726 57.298 58.000 0.041 0.000 1.123 535 F CB 0.650 39.676 39.000 0.044 0.000 1.238 535 F HN 0.427 nan 8.300 nan 0.000 0.536 536 I N 0.388 121.059 120.570 0.169 0.000 2.226 536 I HA -0.233 3.939 4.170 0.004 0.000 0.245 536 I C 0.613 176.545 176.117 -0.308 0.000 1.100 536 I CA 1.397 62.684 61.300 -0.022 0.000 1.374 536 I CB -0.627 37.460 38.000 0.145 0.000 1.057 536 I HN 0.248 nan 8.210 nan 0.000 0.413 537 F N 1.834 121.651 119.950 -0.221 0.000 2.390 537 F HA 0.262 4.791 4.527 0.003 0.000 0.361 537 F C 0.982 176.649 175.800 -0.221 0.000 1.124 537 F CA -0.383 57.478 58.000 -0.232 0.000 1.149 537 F CB 0.083 39.011 39.000 -0.119 0.000 1.160 537 F HN 0.032 nan 8.300 nan 0.000 0.501 538 H N 2.708 121.840 119.070 0.104 0.000 2.523 538 H HA 0.195 4.753 4.556 0.003 0.000 0.345 538 H C 1.165 176.533 175.328 0.066 0.000 1.261 538 H CA -0.599 55.502 56.048 0.089 0.000 1.343 538 H CB 0.881 30.665 29.762 0.037 0.000 1.650 538 H HN 0.534 nan 8.280 nan 0.000 0.591 539 K N 0.520 121.026 120.400 0.177 0.000 2.113 539 K HA -0.164 4.158 4.320 0.004 0.000 0.208 539 K C 1.126 177.766 176.600 0.067 0.000 1.047 539 K CA 1.866 58.200 56.287 0.078 0.000 0.928 539 K CB -0.008 32.507 32.500 0.025 0.000 0.716 539 K HN 0.535 nan 8.250 nan 0.000 0.446 540 E N 1.472 121.718 120.200 0.077 0.000 2.338 540 E HA -0.187 4.165 4.350 0.004 0.000 0.197 540 E C 0.793 177.419 176.600 0.044 0.000 1.007 540 E CA 1.067 57.496 56.400 0.047 0.000 0.849 540 E CB -0.254 29.468 29.700 0.037 0.000 0.774 540 E HN 0.475 nan 8.360 nan 0.000 0.506 541 D N 0.476 120.911 120.400 0.057 0.000 2.355 541 D HA 0.102 4.744 4.640 0.004 0.000 0.218 541 D C 1.633 178.016 176.300 0.137 0.000 1.004 541 D CA 0.311 54.338 54.000 0.045 0.000 0.880 541 D CB 0.508 41.252 40.800 -0.093 0.000 0.911 541 D HN 0.276 nan 8.370 nan 0.000 0.528 542 I N 0.028 120.665 120.570 0.111 0.000 4.592 542 I HA -0.123 4.049 4.170 0.004 0.000 0.329 542 I C 1.971 178.116 176.117 0.046 0.000 1.309 542 I CA 0.201 61.557 61.300 0.093 0.000 1.243 542 I CB 0.333 38.379 38.000 0.076 0.000 1.241 542 I HN -0.194 nan 8.210 nan 0.000 0.434 543 S N 1.126 116.846 115.700 0.033 0.000 2.387 543 S HA -0.215 4.257 4.470 0.004 0.000 0.230 543 S C 1.570 176.176 174.600 0.010 0.000 1.035 543 S CA 1.685 59.892 58.200 0.012 0.000 1.014 543 S CB -0.636 62.566 63.200 0.003 0.000 0.836 543 S HN 0.475 nan 8.310 nan 0.000 0.466 544 N N 1.735 120.445 118.700 0.017 0.000 2.459 544 N HA 0.027 4.769 4.740 0.004 0.000 0.181 544 N C 1.459 176.977 175.510 0.014 0.000 1.046 544 N CA 1.286 54.343 53.050 0.012 0.000 0.904 544 N CB -0.126 38.370 38.487 0.015 0.000 0.964 544 N HN 0.805 nan 8.380 nan 0.000 0.444 545 S N -2.467 113.246 115.700 0.021 0.000 2.666 545 S HA 0.161 4.633 4.470 0.004 0.000 0.239 545 S C 1.520 176.129 174.600 0.016 0.000 1.031 545 S CA -0.322 57.889 58.200 0.019 0.000 1.015 545 S CB 0.095 63.311 63.200 0.027 0.000 0.981 545 S HN -0.055 nan 8.310 nan 0.000 0.547 546 T N 3.024 117.589 114.554 0.017 0.000 2.607 546 T HA -0.175 4.177 4.350 0.004 0.000 0.267 546 T C 1.596 176.309 174.700 0.022 0.000 1.049 546 T CA 2.018 64.131 62.100 0.021 0.000 1.162 546 T CB -0.458 68.425 68.868 0.025 0.000 0.863 546 T HN 0.648 nan 8.240 nan 0.000 0.424 547 E N 0.319 120.527 120.200 0.015 0.000 2.058 547 E HA -0.132 4.220 4.350 0.004 0.000 0.194 547 E C 2.238 178.839 176.600 0.002 0.000 0.997 547 E CA 1.075 57.480 56.400 0.009 0.000 0.801 547 E CB -0.239 29.459 29.700 -0.002 0.000 0.746 547 E HN 0.511 nan 8.360 nan 0.000 0.450 548 I N 0.442 121.012 120.570 0.000 0.000 2.315 548 I HA -0.248 3.924 4.170 0.004 0.000 0.248 548 I C 2.115 178.231 176.117 -0.002 0.000 1.117 548 I CA 0.684 61.982 61.300 -0.005 0.000 1.404 548 I CB 0.083 38.080 38.000 -0.005 0.000 1.071 548 I HN 0.201 nan 8.210 nan 0.000 0.419 549 L N 0.215 121.442 121.223 0.006 0.000 2.017 549 L HA -0.252 4.090 4.340 0.004 0.000 0.208 549 L C 2.510 179.386 176.870 0.010 0.000 1.073 549 L CA 1.450 56.295 54.840 0.009 0.000 0.745 549 L CB -0.609 41.456 42.059 0.010 0.000 0.894 549 L HN 0.279 nan 8.230 nan 0.000 0.432 550 L N -0.485 120.749 121.223 0.018 0.000 2.046 550 L HA -0.234 4.108 4.340 0.004 0.000 0.208 550 L C 2.704 179.576 176.870 0.004 0.000 1.077 550 L CA 1.410 56.267 54.840 0.028 0.000 0.747 550 L CB -0.573 41.511 42.059 0.042 0.000 0.896 550 L HN 0.235 nan 8.230 nan 0.000 0.432 551 K N -0.148 120.245 120.400 -0.012 0.000 2.057 551 K HA -0.144 4.178 4.320 0.004 0.000 0.207 551 K C 1.865 178.444 176.600 -0.034 0.000 1.049 551 K CA 1.271 57.541 56.287 -0.028 0.000 0.931 551 K CB -0.268 32.214 32.500 -0.030 0.000 0.714 551 K HN 0.328 nan 8.250 nan 0.000 0.440 552 N N 1.079 119.761 118.700 -0.030 0.000 2.270 552 N HA -0.056 4.686 4.740 0.004 0.000 0.181 552 N C 1.908 177.381 175.510 -0.061 0.000 1.016 552 N CA 0.789 53.809 53.050 -0.049 0.000 0.870 552 N CB -0.114 38.352 38.487 -0.036 0.000 0.979 552 N HN 0.122 nan 8.380 nan 0.000 0.431 553 L N 0.602 121.808 121.223 -0.028 0.000 2.093 553 L HA -0.038 4.304 4.340 0.004 0.000 0.208 553 L C 2.108 178.970 176.870 -0.013 0.000 1.085 553 L CA 0.732 55.561 54.840 -0.018 0.000 0.755 553 L CB -0.248 41.821 42.059 0.018 0.000 0.904 553 L HN 0.081 nan 8.230 nan 0.000 0.435 554 I N -0.292 120.279 120.570 0.001 0.000 2.226 554 I HA -0.279 3.893 4.170 0.004 0.000 0.245 554 I C 2.750 178.849 176.117 -0.029 0.000 1.100 554 I CA 1.158 62.467 61.300 0.014 0.000 1.374 554 I CB -0.404 37.594 38.000 -0.003 0.000 1.057 554 I HN 0.194 nan 8.210 nan 0.000 0.413 555 A N 0.707 123.487 122.820 -0.067 0.000 1.972 555 A HA -0.149 4.173 4.320 0.004 0.000 0.219 555 A C 2.285 179.770 177.584 -0.165 0.000 1.169 555 A CA 1.362 53.337 52.037 -0.103 0.000 0.635 555 A CB -0.739 18.198 19.000 -0.105 0.000 0.810 555 A HN 0.392 nan 8.150 nan 0.000 0.446 556 L N -0.861 120.237 121.223 -0.207 0.000 2.109 556 L HA -0.111 4.231 4.340 0.004 0.000 0.207 556 L C 2.414 179.158 176.870 -0.210 0.000 1.086 556 L CA 0.966 55.595 54.840 -0.351 0.000 0.760 556 L CB -0.416 41.361 42.059 -0.469 0.000 0.910 556 L HN 0.356 nan 8.230 nan 0.000 0.437 557 I N -0.184 120.348 120.570 -0.064 0.000 2.286 557 I HA -0.300 3.872 4.170 0.004 0.000 0.248 557 I C 2.072 178.189 176.117 -0.001 0.000 1.115 557 I CA 1.388 62.717 61.300 0.048 0.000 1.392 557 I CB -0.033 38.072 38.000 0.175 0.000 1.065 557 I HN 0.236 nan 8.210 nan 0.000 0.418 558 L N -0.036 121.162 121.223 -0.041 0.000 2.509 558 L HA -0.033 4.310 4.340 0.004 0.000 0.222 558 L C 2.324 179.133 176.870 -0.101 0.000 1.123 558 L CA 0.250 55.061 54.840 -0.048 0.000 0.856 558 L CB -0.471 41.565 42.059 -0.038 0.000 0.985 558 L HN 0.167 nan 8.230 nan 0.000 0.456 559 K N 0.291 120.568 120.400 -0.204 0.000 2.113 559 K HA -0.197 4.125 4.320 0.004 0.000 0.208 559 K C 1.128 177.516 176.600 -0.354 0.000 1.047 559 K CA 1.298 57.380 56.287 -0.342 0.000 0.928 559 K CB 0.046 32.205 32.500 -0.569 0.000 0.716 559 K HN 0.425 nan 8.250 nan 0.000 0.446 560 H N -0.611 118.457 119.070 -0.003 0.000 2.524 560 H HA 0.256 4.814 4.556 0.003 0.000 0.299 560 H C 0.463 175.797 175.328 0.009 0.000 1.074 560 H CA 0.644 56.704 56.048 0.020 0.000 1.115 560 H CB 0.235 30.028 29.762 0.052 0.000 1.522 560 H HN 0.443 nan 8.280 nan 0.000 0.543 561 G N 0.669 109.504 108.800 0.058 0.000 2.619 561 G HA2 -0.217 3.745 3.960 0.004 0.000 0.686 561 G HA3 -0.217 3.745 3.960 0.004 0.000 0.686 561 G C 0.352 175.265 174.900 0.021 0.000 1.256 561 G CA -0.244 44.879 45.100 0.038 0.000 0.826 561 G HN 0.284 nan 8.290 nan 0.000 0.619 562 S N -1.114 114.592 115.700 0.010 0.000 2.573 562 S HA 0.540 5.012 4.470 0.004 0.000 0.244 562 S C 0.996 175.596 174.600 0.001 0.000 0.984 562 S CA 0.736 58.937 58.200 0.003 0.000 1.001 562 S CB 0.030 63.232 63.200 0.003 0.000 0.788 562 S HN 2.154 nan 8.310 nan 0.000 0.456 563 S N 2.004 117.706 115.700 0.002 0.000 2.564 563 S HA 0.322 4.795 4.470 0.004 0.000 0.278 563 S C -1.208 173.382 174.600 -0.016 0.000 1.333 563 S CA -1.008 57.191 58.200 -0.001 0.000 1.048 563 S CB 0.811 64.012 63.200 0.002 0.000 0.900 563 S HN 0.163 nan 8.310 nan 0.000 0.505 564 P HA -0.166 nan 4.420 nan 0.000 0.216 564 P C 0.815 178.080 177.300 -0.058 0.000 1.153 564 P CA 1.489 64.575 63.100 -0.024 0.000 0.858 564 P CB 0.018 31.721 31.700 0.006 0.000 0.789 565 E N -0.284 119.892 120.200 -0.041 0.000 2.106 565 E HA -0.112 4.240 4.350 0.004 0.000 0.192 565 E C 2.140 178.701 176.600 -0.065 0.000 0.984 565 E CA 0.988 57.359 56.400 -0.049 0.000 0.806 565 E CB -0.474 29.211 29.700 -0.025 0.000 0.750 565 E HN 0.167 nan 8.360 nan 0.000 0.458 566 K N 0.183 120.557 120.400 -0.044 0.000 2.076 566 K HA 0.011 4.333 4.320 0.004 0.000 0.204 566 K C 2.059 178.622 176.600 -0.062 0.000 1.051 566 K CA 0.356 56.632 56.287 -0.017 0.000 0.949 566 K CB -0.430 32.089 32.500 0.031 0.000 0.726 566 K HN 0.124 nan 8.250 nan 0.000 0.443 567 L N 1.155 122.313 121.223 -0.109 0.000 2.043 567 L HA -0.140 4.202 4.340 0.004 0.000 0.212 567 L C 1.836 178.381 176.870 -0.543 0.000 1.075 567 L CA 2.007 56.736 54.840 -0.185 0.000 0.752 567 L CB -0.548 41.430 42.059 -0.135 0.000 0.891 567 L HN 0.126 nan 8.230 nan 0.000 0.432 568 A N -1.917 120.490 122.820 -0.688 0.000 2.275 568 A HA -0.002 4.321 4.320 0.004 0.000 0.212 568 A C 2.065 179.282 177.584 -0.611 0.000 1.201 568 A CA 0.484 51.741 52.037 -1.300 0.000 0.843 568 A CB -0.528 18.031 19.000 -0.735 0.000 0.873 568 A HN 0.534 nan 8.150 nan 0.000 0.492 569 E N 0.603 120.640 120.200 -0.273 0.000 2.097 569 E HA -0.199 4.153 4.350 0.004 0.000 0.196 569 E C 0.391 177.034 176.600 0.071 0.000 1.000 569 E CA 0.880 57.255 56.400 -0.042 0.000 0.804 569 E CB -0.040 29.690 29.700 0.051 0.000 0.740 569 E HN 0.506 nan 8.360 nan 0.000 0.454 570 N N 0.882 119.668 118.700 0.144 0.000 2.678 570 N HA -0.045 4.697 4.740 0.004 0.000 0.231 570 N C 0.454 176.137 175.510 0.288 0.000 1.038 570 N CA -0.020 53.177 53.050 0.246 0.000 0.932 570 N CB 0.854 39.513 38.487 0.287 0.000 1.176 570 N HN 0.232 nan 8.380 nan 0.000 0.511 571 E N 2.860 123.105 120.200 0.076 0.000 2.268 571 E HA -0.158 4.194 4.350 0.004 0.000 0.195 571 E C 0.761 177.220 176.600 -0.235 0.000 0.995 571 E CA 0.942 57.332 56.400 -0.017 0.000 0.836 571 E CB -0.446 29.168 29.700 -0.143 0.000 0.763 571 E HN 0.534 nan 8.360 nan 0.000 0.491 572 F N 1.470 121.448 119.950 0.046 0.000 2.216 572 F HA -0.046 4.483 4.527 0.003 0.000 0.300 572 F C 2.431 178.201 175.800 -0.049 0.000 1.085 572 F CA 0.773 58.745 58.000 -0.047 0.000 1.326 572 F CB -0.313 38.653 39.000 -0.057 0.000 1.027 572 F HN -0.080 nan 8.300 nan 0.000 0.497 573 L N -1.084 120.232 121.223 0.157 0.000 2.056 573 L HA -0.208 4.134 4.340 0.004 0.000 0.207 573 L C 2.433 179.287 176.870 -0.027 0.000 1.078 573 L CA 1.032 55.929 54.840 0.096 0.000 0.749 573 L CB -0.559 41.587 42.059 0.145 0.000 0.901 573 L HN 0.190 nan 8.230 nan 0.000 0.433 574 M N -0.376 119.129 119.600 -0.160 0.000 2.254 574 M HA -0.085 4.397 4.480 0.004 0.000 0.265 574 M C 2.332 178.483 176.300 -0.247 0.000 1.066 574 M CA 1.562 56.654 55.300 -0.347 0.000 1.123 574 M CB -0.348 31.718 32.600 -0.889 0.000 1.388 574 M HN -0.024 nan 8.290 nan 0.000 0.425 575 R N -0.941 119.371 120.500 -0.313 0.000 2.096 575 R HA -0.075 4.267 4.340 0.004 0.000 0.235 575 R C 2.095 178.280 176.300 -0.192 0.000 1.127 575 R CA 1.735 57.536 56.100 -0.498 0.000 0.968 575 R CB -0.599 29.328 30.300 -0.622 0.000 0.861 575 R HN 0.408 nan 8.270 nan 0.000 0.440 576 S N 0.984 116.620 115.700 -0.107 0.000 2.383 576 S HA -0.039 4.433 4.470 0.004 0.000 0.227 576 S C 1.986 176.555 174.600 -0.051 0.000 1.026 576 S CA 0.768 58.928 58.200 -0.066 0.000 0.981 576 S CB -0.091 63.098 63.200 -0.017 0.000 0.818 576 S HN 0.227 nan 8.310 nan 0.000 0.472 577 I N 0.719 121.274 120.570 -0.027 0.000 2.226 577 I HA -0.186 3.986 4.170 0.004 0.000 0.245 577 I C 2.191 178.333 176.117 0.041 0.000 1.100 577 I CA 1.188 62.500 61.300 0.020 0.000 1.374 577 I CB -0.267 37.755 38.000 0.036 0.000 1.057 577 I HN 0.248 nan 8.210 nan 0.000 0.413 578 F N 1.981 121.850 119.950 -0.136 0.000 2.102 578 F HA -0.231 4.298 4.527 0.004 0.000 0.298 578 F C 2.577 178.337 175.800 -0.066 0.000 1.105 578 F CA 1.690 59.625 58.000 -0.107 0.000 1.239 578 F CB -0.499 38.456 39.000 -0.074 0.000 0.991 578 F HN -0.156 nan 8.300 nan 0.000 0.474 579 R N 0.383 120.657 120.500 -0.377 0.000 2.092 579 R HA -0.079 4.263 4.340 0.004 0.000 0.231 579 R C 2.136 178.242 176.300 -0.323 0.000 1.119 579 R CA 1.727 57.536 56.100 -0.485 0.000 0.970 579 R CB -1.004 29.102 30.300 -0.323 0.000 0.864 579 R HN 0.277 nan 8.270 nan 0.000 0.440 580 V N 0.661 120.466 119.914 -0.181 0.000 2.295 580 V HA -0.246 3.876 4.120 0.004 0.000 0.246 580 V C 2.301 178.350 176.094 -0.074 0.000 1.049 580 V CA 1.906 64.142 62.300 -0.106 0.000 1.024 580 V CB -0.460 31.338 31.823 -0.041 0.000 0.648 580 V HN 0.311 nan 8.190 nan 0.000 0.447 581 L N -0.581 120.621 121.223 -0.035 0.000 2.042 581 L HA -0.260 4.082 4.340 0.004 0.000 0.210 581 L C 2.673 179.553 176.870 0.017 0.000 1.076 581 L CA 1.787 56.654 54.840 0.046 0.000 0.749 581 L CB -0.529 41.603 42.059 0.122 0.000 0.893 581 L HN 0.353 nan 8.230 nan 0.000 0.432 582 Q N -0.370 119.368 119.800 -0.103 0.000 2.084 582 Q HA -0.173 4.169 4.340 0.004 0.000 0.202 582 Q C 2.088 178.036 176.000 -0.085 0.000 0.978 582 Q CA 2.382 58.155 55.803 -0.050 0.000 0.844 582 Q CB -0.283 28.240 28.738 -0.359 0.000 0.898 582 Q HN 0.375 nan 8.270 nan 0.000 0.426 583 T N -0.549 113.911 114.554 -0.157 0.000 2.812 583 T HA -0.111 4.241 4.350 0.004 0.000 0.264 583 T C 1.771 176.420 174.700 -0.085 0.000 1.042 583 T CA 1.354 63.387 62.100 -0.112 0.000 1.140 583 T CB -0.397 68.395 68.868 -0.127 0.000 0.870 583 T HN 0.545 nan 8.240 nan 0.000 0.445 584 S N 0.501 116.146 115.700 -0.092 0.000 2.453 584 S HA -0.052 4.420 4.470 0.004 0.000 0.231 584 S C 1.043 175.531 174.600 -0.186 0.000 1.005 584 S CA 0.938 59.090 58.200 -0.079 0.000 0.949 584 S CB -0.244 62.947 63.200 -0.015 0.000 0.774 584 S HN 0.646 nan 8.310 nan 0.000 0.510 585 E N 1.307 121.240 120.200 -0.446 0.000 3.296 585 E HA -0.307 4.045 4.350 0.004 0.000 0.422 585 E C 0.024 176.350 176.600 -0.457 0.000 1.557 585 E CA 1.841 57.601 56.400 -1.067 0.000 1.302 585 E CB -1.458 27.851 29.700 -0.653 0.000 1.497 585 E HN 0.777 nan 8.360 nan 0.000 0.467 586 D N 0.264 120.540 120.400 -0.207 0.000 2.388 586 D HA 0.200 4.842 4.640 0.004 0.000 0.221 586 D C 0.851 177.073 176.300 -0.129 0.000 1.133 586 D CA 0.536 54.505 54.000 -0.051 0.000 0.831 586 D CB 0.291 41.103 40.800 0.020 0.000 0.962 586 D HN 0.120 nan 8.370 nan 0.000 0.502 587 S N 0.528 116.168 115.700 -0.101 0.000 2.374 587 S HA -0.121 4.351 4.470 0.004 0.000 0.227 587 S C 1.624 176.148 174.600 -0.127 0.000 1.037 587 S CA 1.254 59.402 58.200 -0.087 0.000 1.024 587 S CB -0.383 62.789 63.200 -0.046 0.000 0.861 587 S HN 0.696 nan 8.310 nan 0.000 0.456 588 I N -0.913 119.557 120.570 -0.167 0.000 3.637 588 I HA 0.316 4.488 4.170 0.004 0.000 0.342 588 I C 1.122 176.903 176.117 -0.560 0.000 1.545 588 I CA -0.338 60.830 61.300 -0.219 0.000 1.126 588 I CB -0.121 37.845 38.000 -0.057 0.000 1.375 588 I HN 0.017 nan 8.210 nan 0.000 0.467 589 Q N 1.668 120.963 119.800 -0.842 0.000 2.118 589 Q HA -0.172 4.170 4.340 0.004 0.000 0.211 589 Q C -0.501 175.131 176.000 -0.613 0.000 0.998 589 Q CA 2.244 57.315 55.803 -1.220 0.000 0.872 589 Q CB -1.396 26.988 28.738 -0.590 0.000 0.925 589 Q HN 0.530 nan 8.270 nan 0.000 0.414 590 P HA -0.161 nan 4.420 nan 0.000 0.218 590 P C 0.859 178.105 177.300 -0.090 0.000 1.146 590 P CA 1.208 64.219 63.100 -0.149 0.000 0.813 590 P CB -0.028 31.607 31.700 -0.108 0.000 0.778 591 L N -3.284 117.881 121.223 -0.095 0.000 2.567 591 L HA 0.105 4.448 4.340 0.004 0.000 0.225 591 L C 2.088 179.045 176.870 0.146 0.000 1.119 591 L CA 0.108 54.953 54.840 0.008 0.000 0.871 591 L CB -0.650 41.413 42.059 0.007 0.000 1.036 591 L HN -0.021 nan 8.230 nan 0.000 0.459 592 F N 1.467 121.414 119.950 -0.005 0.000 2.115 592 F HA -0.223 4.306 4.527 0.003 0.000 0.300 592 F C -0.009 175.779 175.800 -0.021 0.000 1.092 592 F CA 0.988 58.992 58.000 0.007 0.000 1.245 592 F CB -1.314 37.717 39.000 0.051 0.000 0.995 592 F HN 0.211 nan 8.300 nan 0.000 0.481 593 P HA -0.211 nan 4.420 nan 0.000 0.217 593 P C 1.364 178.666 177.300 0.003 0.000 1.150 593 P CA 1.507 64.648 63.100 0.069 0.000 0.832 593 P CB -0.162 31.566 31.700 0.048 0.000 0.787 594 Q N -0.429 119.367 119.800 -0.007 0.000 2.046 594 Q HA -0.130 4.212 4.340 0.004 0.000 0.200 594 Q C 2.075 177.990 176.000 -0.141 0.000 0.975 594 Q CA 1.312 57.079 55.803 -0.060 0.000 0.836 594 Q CB -0.670 28.039 28.738 -0.048 0.000 0.896 594 Q HN 0.152 nan 8.270 nan 0.000 0.428 595 L N 0.348 121.476 121.223 -0.159 0.000 2.012 595 L HA -0.222 4.120 4.340 0.004 0.000 0.210 595 L C 2.513 179.026 176.870 -0.594 0.000 1.073 595 L CA 0.751 55.346 54.840 -0.409 0.000 0.748 595 L CB -0.520 41.368 42.059 -0.286 0.000 0.891 595 L HN 0.347 nan 8.230 nan 0.000 0.431 596 L N 0.161 121.231 121.223 -0.256 0.000 2.046 596 L HA -0.162 4.180 4.340 0.004 0.000 0.208 596 L C 2.625 179.417 176.870 -0.131 0.000 1.077 596 L CA 2.009 56.777 54.840 -0.121 0.000 0.747 596 L CB -0.742 41.303 42.059 -0.023 0.000 0.896 596 L HN 0.162 nan 8.230 nan 0.000 0.432 597 A N -1.221 121.519 122.820 -0.133 0.000 1.940 597 A HA -0.266 4.057 4.320 0.004 0.000 0.219 597 A C 2.182 179.691 177.584 -0.124 0.000 1.176 597 A CA 1.903 53.876 52.037 -0.107 0.000 0.631 597 A CB -0.525 18.423 19.000 -0.086 0.000 0.814 597 A HN 0.683 nan 8.150 nan 0.000 0.446 598 Q N -1.353 118.318 119.800 -0.215 0.000 2.083 598 Q HA -0.058 4.284 4.340 0.004 0.000 0.198 598 Q C 1.845 177.780 176.000 -0.108 0.000 0.969 598 Q CA 1.425 57.103 55.803 -0.207 0.000 0.838 598 Q CB -0.281 28.263 28.738 -0.322 0.000 0.900 598 Q HN 0.815 nan 8.270 nan 0.000 0.436 599 F N 0.309 120.199 119.950 -0.099 0.000 2.186 599 F HA -0.202 4.327 4.527 0.004 0.000 0.299 599 F C 2.137 177.835 175.800 -0.170 0.000 1.090 599 F CA 0.042 57.950 58.000 -0.153 0.000 1.307 599 F CB 0.017 38.901 39.000 -0.194 0.000 1.019 599 F HN 0.097 nan 8.300 nan 0.000 0.489 600 I N 0.539 121.129 120.570 0.033 0.000 2.286 600 I HA -0.230 3.942 4.170 0.004 0.000 0.248 600 I C 2.122 178.228 176.117 -0.017 0.000 1.115 600 I CA 1.599 62.879 61.300 -0.032 0.000 1.392 600 I CB -1.145 36.808 38.000 -0.079 0.000 1.065 600 I HN 0.270 nan 8.210 nan 0.000 0.418 601 E N 0.669 120.862 120.200 -0.012 0.000 2.110 601 E HA -0.175 4.177 4.350 0.004 0.000 0.193 601 E C 2.357 178.972 176.600 0.026 0.000 0.988 601 E CA 0.980 57.381 56.400 0.001 0.000 0.804 601 E CB -0.011 29.683 29.700 -0.010 0.000 0.745 601 E HN 0.456 nan 8.360 nan 0.000 0.458 602 I N 0.588 121.182 120.570 0.040 0.000 2.252 602 I HA -0.241 3.931 4.170 0.004 0.000 0.245 602 I C 2.320 178.457 176.117 0.034 0.000 1.102 602 I CA 0.724 62.063 61.300 0.066 0.000 1.385 602 I CB -0.090 37.987 38.000 0.129 0.000 1.064 602 I HN -0.017 nan 8.210 nan 0.000 0.414 603 V N 0.517 120.401 119.914 -0.050 0.000 2.343 603 V HA -0.294 3.828 4.120 0.004 0.000 0.247 603 V C 2.480 178.665 176.094 0.152 0.000 1.051 603 V CA 2.438 64.686 62.300 -0.087 0.000 1.036 603 V CB -0.965 30.740 31.823 -0.197 0.000 0.654 603 V HN 0.479 nan 8.190 nan 0.000 0.451 604 T N 0.205 114.821 114.554 0.103 0.000 2.684 604 T HA -0.144 4.208 4.350 0.004 0.000 0.267 604 T C 1.821 176.590 174.700 0.115 0.000 1.036 604 T CA 1.835 64.003 62.100 0.113 0.000 1.148 604 T CB -0.259 68.644 68.868 0.058 0.000 0.863 604 T HN 0.347 nan 8.240 nan 0.000 0.436 605 I N 0.602 121.227 120.570 0.091 0.000 2.252 605 I HA -0.122 4.050 4.170 0.004 0.000 0.245 605 I C 2.494 178.674 176.117 0.105 0.000 1.102 605 I CA 1.216 62.561 61.300 0.075 0.000 1.385 605 I CB -0.301 37.727 38.000 0.047 0.000 1.064 605 I HN 0.245 nan 8.210 nan 0.000 0.414 606 M N 0.172 119.872 119.600 0.166 0.000 2.296 606 M HA -0.143 4.340 4.480 0.004 0.000 0.265 606 M C 2.461 178.915 176.300 0.258 0.000 1.064 606 M CA 1.444 56.884 55.300 0.234 0.000 1.109 606 M CB -0.498 32.316 32.600 0.356 0.000 1.396 606 M HN 0.282 nan 8.290 nan 0.000 0.430 607 A N 0.897 123.905 122.820 0.314 0.000 2.076 607 A HA -0.189 4.133 4.320 0.004 0.000 0.220 607 A C 2.068 179.639 177.584 -0.021 0.000 1.160 607 A CA 1.642 53.737 52.037 0.097 0.000 0.653 607 A CB -0.534 18.581 19.000 0.191 0.000 0.801 607 A HN 0.474 nan 8.150 nan 0.000 0.455 608 K N -1.510 118.906 120.400 0.027 0.000 2.217 608 K HA -0.063 4.260 4.320 0.004 0.000 0.202 608 K C 0.171 176.760 176.600 -0.018 0.000 1.051 608 K CA 1.105 57.393 56.287 0.002 0.000 0.952 608 K CB 0.033 32.542 32.500 0.015 0.000 0.736 608 K HN 0.444 nan 8.250 nan 0.000 0.453 609 N N -0.142 118.550 118.700 -0.012 0.000 3.111 609 N HA 0.083 4.826 4.740 0.004 0.000 0.200 609 N C -3.045 172.466 175.510 0.002 0.000 1.464 609 N CA -1.361 51.678 53.050 -0.019 0.000 0.758 609 N CB 0.815 39.296 38.487 -0.011 0.000 1.548 609 N HN -0.210 nan 8.380 nan 0.000 0.595 610 P HA 0.076 nan 4.420 nan 0.000 0.262 610 P C 0.104 177.443 177.300 0.064 0.000 1.182 610 P CA 0.302 63.438 63.100 0.060 0.000 0.761 610 P CB 1.192 32.874 31.700 -0.031 0.000 0.795 611 S N 1.602 117.349 115.700 0.077 0.000 3.056 611 S HA 0.073 4.545 4.470 0.004 0.000 0.255 611 S C 0.641 175.273 174.600 0.053 0.000 1.079 611 S CA -0.172 58.055 58.200 0.044 0.000 0.810 611 S CB -0.197 63.007 63.200 0.006 0.000 0.810 611 S HN 0.390 nan 8.310 nan 0.000 0.477 612 N N 3.490 122.229 118.700 0.066 0.000 2.527 612 N HA 0.404 5.146 4.740 0.004 0.000 0.236 612 N C -1.987 173.609 175.510 0.144 0.000 0.999 612 N CA -2.197 50.902 53.050 0.082 0.000 0.935 612 N CB 1.751 40.278 38.487 0.067 0.000 1.132 612 N HN 0.118 nan 8.380 nan 0.000 0.511 613 P HA -0.123 nan 4.420 nan 0.000 0.218 613 P C 0.835 178.197 177.300 0.104 0.000 1.148 613 P CA 1.101 64.274 63.100 0.123 0.000 0.822 613 P CB 0.657 32.392 31.700 0.059 0.000 0.784 614 R N -1.471 119.077 120.500 0.079 0.000 2.073 614 R HA -0.035 4.307 4.340 0.004 0.000 0.229 614 R C 2.448 178.839 176.300 0.153 0.000 1.120 614 R CA 0.978 57.126 56.100 0.080 0.000 0.967 614 R CB -0.946 29.388 30.300 0.058 0.000 0.862 614 R HN 0.167 nan 8.270 nan 0.000 0.436 615 F N 1.500 121.457 119.950 0.012 0.000 2.102 615 F HA -0.208 4.322 4.527 0.004 0.000 0.298 615 F C 2.124 177.878 175.800 -0.076 0.000 1.105 615 F CA 1.688 59.683 58.000 -0.009 0.000 1.239 615 F CB -0.238 38.748 39.000 -0.023 0.000 0.991 615 F HN -0.107 nan 8.300 nan 0.000 0.474 616 T N -1.200 113.489 114.554 0.227 0.000 2.684 616 T HA -0.309 4.043 4.350 0.004 0.000 0.267 616 T C 1.628 176.155 174.700 -0.290 0.000 1.036 616 T CA 2.017 64.141 62.100 0.041 0.000 1.148 616 T CB -0.684 68.328 68.868 0.241 0.000 0.863 616 T HN 0.469 nan 8.240 nan 0.000 0.436 617 H N -0.070 118.764 119.070 -0.392 0.000 2.290 617 H HA -0.094 4.464 4.556 0.003 0.000 0.298 617 H C 1.796 176.633 175.328 -0.819 0.000 1.087 617 H CA 1.765 57.391 56.048 -0.703 0.000 1.291 617 H CB -0.449 28.948 29.762 -0.608 0.000 1.369 617 H HN 0.511 nan 8.280 nan 0.000 0.492 618 Y N -0.770 119.269 120.300 -0.436 0.000 2.509 618 Y HA -0.124 4.428 4.550 0.003 0.000 0.293 618 Y C 2.622 178.080 175.900 -0.737 0.000 1.133 618 Y CA 1.143 58.893 58.100 -0.582 0.000 1.283 618 Y CB 0.027 38.244 38.460 -0.405 0.000 1.001 618 Y HN 0.252 nan 8.280 nan 0.000 0.555 619 T N -0.378 113.755 114.554 -0.703 0.000 2.812 619 T HA -0.131 4.222 4.350 0.004 0.000 0.264 619 T C 1.435 175.571 174.700 -0.941 0.000 1.042 619 T CA 1.272 62.844 62.100 -0.879 0.000 1.140 619 T CB -0.420 67.939 68.868 -0.848 0.000 0.870 619 T HN 0.228 nan 8.240 nan 0.000 0.445 620 F N 1.402 120.878 119.950 -0.790 0.000 2.293 620 F HA 0.061 4.590 4.527 0.003 0.000 0.297 620 F C 2.598 177.992 175.800 -0.677 0.000 1.089 620 F CA 0.513 58.088 58.000 -0.709 0.000 1.377 620 F CB -0.117 38.366 39.000 -0.862 0.000 1.051 620 F HN 0.050 nan 8.300 nan 0.000 0.511 621 E N -0.050 119.720 120.200 -0.717 0.000 2.110 621 E HA -0.141 4.212 4.350 0.004 0.000 0.193 621 E C 2.300 178.555 176.600 -0.575 0.000 0.988 621 E CA 1.232 57.134 56.400 -0.830 0.000 0.804 621 E CB -0.374 28.478 29.700 -1.414 0.000 0.745 621 E HN 0.273 nan 8.360 nan 0.000 0.458 622 S N 0.793 116.180 115.700 -0.523 0.000 2.402 622 S HA -0.034 4.438 4.470 0.004 0.000 0.229 622 S C 2.087 176.511 174.600 -0.293 0.000 1.021 622 S CA 0.496 58.493 58.200 -0.338 0.000 0.974 622 S CB -0.067 62.672 63.200 -0.770 0.000 0.800 622 S HN 0.198 nan 8.310 nan 0.000 0.484 623 I N 1.338 121.690 120.570 -0.362 0.000 2.353 623 I HA -0.092 4.080 4.170 0.004 0.000 0.248 623 I C 2.615 178.665 176.117 -0.113 0.000 1.119 623 I CA 0.993 62.207 61.300 -0.143 0.000 1.417 623 I CB -0.645 37.295 38.000 -0.100 0.000 1.078 623 I HN 0.355 nan 8.210 nan 0.000 0.421 624 G N 0.486 109.175 108.800 -0.185 0.000 2.418 624 G HA2 -0.227 3.736 3.960 0.004 0.000 0.217 624 G HA3 -0.227 3.736 3.960 0.004 0.000 0.217 624 G C 1.867 176.609 174.900 -0.264 0.000 1.158 624 G CA 0.788 45.734 45.100 -0.256 0.000 0.771 624 G HN 0.472 nan 8.290 nan 0.000 0.545 625 A N 0.835 123.577 122.820 -0.130 0.000 1.877 625 A HA 0.023 4.345 4.320 0.004 0.000 0.216 625 A C 2.402 179.911 177.584 -0.125 0.000 1.186 625 A CA 1.300 53.299 52.037 -0.063 0.000 0.620 625 A CB -0.395 18.732 19.000 0.211 0.000 0.822 625 A HN 0.367 nan 8.150 nan 0.000 0.443 626 I N -0.295 120.165 120.570 -0.182 0.000 2.163 626 I HA -0.290 3.882 4.170 0.004 0.000 0.243 626 I C 2.384 178.343 176.117 -0.264 0.000 1.085 626 I CA 1.374 62.383 61.300 -0.485 0.000 1.347 626 I CB -0.345 37.397 38.000 -0.430 0.000 1.044 626 I HN 0.317 nan 8.210 nan 0.000 0.408 627 L N 0.220 121.392 121.223 -0.085 0.000 2.083 627 L HA -0.221 4.121 4.340 0.004 0.000 0.209 627 L C 2.269 179.256 176.870 0.196 0.000 1.083 627 L CA 1.371 56.274 54.840 0.105 0.000 0.752 627 L CB -0.786 41.398 42.059 0.209 0.000 0.899 627 L HN 0.321 nan 8.230 nan 0.000 0.433 628 N N -0.071 118.622 118.700 -0.013 0.000 2.289 628 N HA -0.211 4.531 4.740 0.004 0.000 0.184 628 N C 1.308 176.745 175.510 -0.122 0.000 1.016 628 N CA 1.412 54.418 53.050 -0.073 0.000 0.872 628 N CB -0.076 38.106 38.487 -0.507 0.000 0.973 628 N HN 0.397 nan 8.380 nan 0.000 0.433 629 Y N -1.095 119.327 120.300 0.204 0.000 2.524 629 Y HA 0.316 4.868 4.550 0.003 0.000 0.266 629 Y C 0.230 176.391 175.900 0.436 0.000 1.180 629 Y CA -0.516 57.768 58.100 0.307 0.000 1.244 629 Y CB 0.432 39.114 38.460 0.370 0.000 1.125 629 Y HN -0.136 nan 8.280 nan 0.000 0.524 630 T N 1.484 116.307 114.554 0.448 0.000 2.882 630 T HA 0.164 4.516 4.350 0.004 0.000 0.287 630 T C -0.042 174.804 174.700 0.245 0.000 0.992 630 T CA -0.671 61.669 62.100 0.399 0.000 1.076 630 T CB 0.888 69.948 68.868 0.319 0.000 0.961 630 T HN 0.158 nan 8.240 nan 0.000 0.490 631 Q N 2.274 122.185 119.800 0.185 0.000 2.311 631 Q HA 0.158 4.500 4.340 0.004 0.000 0.272 631 Q C 1.401 177.459 176.000 0.098 0.000 1.012 631 Q CA -0.185 55.691 55.803 0.122 0.000 0.891 631 Q CB 0.997 29.786 28.738 0.086 0.000 1.201 631 Q HN 0.552 nan 8.270 nan 0.000 0.391 632 R N 1.686 122.229 120.500 0.072 0.000 2.133 632 R HA -0.271 4.071 4.340 0.004 0.000 0.245 632 R C 2.107 178.432 176.300 0.042 0.000 1.137 632 R CA 2.106 58.232 56.100 0.044 0.000 0.947 632 R CB -0.288 30.024 30.300 0.020 0.000 0.865 632 R HN 0.731 nan 8.270 nan 0.000 0.437 633 Q N 0.455 120.279 119.800 0.040 0.000 2.439 633 Q HA -0.136 4.206 4.340 0.004 0.000 0.211 633 Q C 0.458 176.483 176.000 0.042 0.000 0.978 633 Q CA 1.365 57.189 55.803 0.034 0.000 0.897 633 Q CB -0.108 28.648 28.738 0.029 0.000 0.956 633 Q HN 0.346 nan 8.270 nan 0.000 0.483 634 N N 0.116 118.851 118.700 0.058 0.000 2.254 634 N HA 0.181 4.923 4.740 0.004 0.000 0.190 634 N C 1.611 177.167 175.510 0.077 0.000 1.107 634 N CA -0.013 53.077 53.050 0.067 0.000 0.869 634 N CB 0.237 38.773 38.487 0.083 0.000 0.983 634 N HN 0.210 nan 8.380 nan 0.000 0.487 635 L N 1.845 123.112 121.223 0.074 0.000 2.046 635 L HA -0.094 4.248 4.340 0.004 0.000 0.208 635 L C -0.476 176.431 176.870 0.062 0.000 1.077 635 L CA 1.507 56.392 54.840 0.076 0.000 0.747 635 L CB -1.422 40.672 42.059 0.059 0.000 0.896 635 L HN 0.094 nan 8.230 nan 0.000 0.432 636 P HA -0.216 nan 4.420 nan 0.000 0.216 636 P C 1.782 179.105 177.300 0.038 0.000 1.153 636 P CA 1.701 64.826 63.100 0.042 0.000 0.858 636 P CB -0.028 31.693 31.700 0.035 0.000 0.789 637 L N -1.394 119.852 121.223 0.038 0.000 2.093 637 L HA -0.106 4.236 4.340 0.004 0.000 0.208 637 L C 2.914 179.800 176.870 0.027 0.000 1.085 637 L CA 1.111 55.969 54.840 0.030 0.000 0.755 637 L CB -1.031 41.048 42.059 0.032 0.000 0.904 637 L HN -0.100 nan 8.230 nan 0.000 0.435 638 L N -0.763 120.486 121.223 0.043 0.000 2.056 638 L HA -0.159 4.183 4.340 0.004 0.000 0.207 638 L C 2.614 179.488 176.870 0.008 0.000 1.078 638 L CA 0.737 55.599 54.840 0.036 0.000 0.749 638 L CB -0.490 41.611 42.059 0.069 0.000 0.901 638 L HN 0.063 nan 8.230 nan 0.000 0.433 639 V N 0.029 119.960 119.914 0.029 0.000 2.287 639 V HA -0.325 3.797 4.120 0.004 0.000 0.248 639 V C 2.149 178.233 176.094 -0.017 0.000 1.053 639 V CA 2.017 64.332 62.300 0.024 0.000 1.027 639 V CB -0.527 31.332 31.823 0.061 0.000 0.646 639 V HN 0.465 nan 8.190 nan 0.000 0.447 640 D N 0.349 120.746 120.400 -0.004 0.000 2.182 640 D HA -0.133 4.509 4.640 0.004 0.000 0.201 640 D C 2.361 178.631 176.300 -0.050 0.000 0.986 640 D CA 1.812 55.803 54.000 -0.014 0.000 0.847 640 D CB -0.217 40.583 40.800 0.001 0.000 0.942 640 D HN 0.630 nan 8.370 nan 0.000 0.467 641 S N -0.571 115.092 115.700 -0.062 0.000 2.481 641 S HA -0.032 4.440 4.470 0.004 0.000 0.231 641 S C 1.914 176.414 174.600 -0.168 0.000 0.996 641 S CA 0.433 58.581 58.200 -0.087 0.000 0.942 641 S CB -0.084 63.078 63.200 -0.063 0.000 0.768 641 S HN 0.183 nan 8.310 nan 0.000 0.520 642 M N -0.064 119.382 119.600 -0.256 0.000 2.556 642 M HA 0.252 4.734 4.480 0.004 0.000 0.264 642 M C 2.044 177.943 176.300 -0.669 0.000 1.163 642 M CA 0.429 55.386 55.300 -0.573 0.000 1.186 642 M CB -0.280 31.846 32.600 -0.790 0.000 1.321 642 M HN 0.184 nan 8.290 nan 0.000 0.485 643 M N 0.516 119.917 119.600 -0.333 0.000 2.108 643 M HA -0.132 4.351 4.480 0.004 0.000 0.257 643 M C -0.643 175.632 176.300 -0.040 0.000 1.071 643 M CA 2.094 57.333 55.300 -0.102 0.000 1.093 643 M CB -2.364 30.258 32.600 0.036 0.000 1.345 643 M HN -0.013 nan 8.290 nan 0.000 0.403 644 P HA -0.101 nan 4.420 nan 0.000 0.215 644 P C 1.591 178.886 177.300 -0.008 0.000 1.157 644 P CA 1.565 64.656 63.100 -0.015 0.000 0.868 644 P CB -0.235 31.449 31.700 -0.027 0.000 0.788 645 T N -1.311 113.207 114.554 -0.061 0.000 2.746 645 T HA -0.100 4.252 4.350 0.004 0.000 0.267 645 T C 1.573 176.343 174.700 0.117 0.000 1.039 645 T CA 1.129 63.231 62.100 0.002 0.000 1.142 645 T CB -0.990 67.853 68.868 -0.042 0.000 0.866 645 T HN 0.107 nan 8.240 nan 0.000 0.444 646 F N 0.793 120.681 119.950 -0.102 0.000 2.171 646 F HA -0.011 4.518 4.527 0.003 0.000 0.300 646 F C 2.222 177.750 175.800 -0.454 0.000 1.090 646 F CA 0.394 58.221 58.000 -0.288 0.000 1.293 646 F CB -0.317 38.558 39.000 -0.208 0.000 1.013 646 F HN 0.088 nan 8.300 nan 0.000 0.486 647 L N -0.347 120.913 121.223 0.061 0.000 2.083 647 L HA -0.204 4.138 4.340 0.004 0.000 0.209 647 L C 2.304 179.221 176.870 0.078 0.000 1.083 647 L CA 1.364 56.291 54.840 0.144 0.000 0.752 647 L CB -0.924 41.240 42.059 0.176 0.000 0.899 647 L HN 0.111 nan 8.230 nan 0.000 0.433 648 T N -0.932 113.645 114.554 0.039 0.000 2.915 648 T HA -0.098 4.254 4.350 0.004 0.000 0.269 648 T C 1.969 176.676 174.700 0.012 0.000 1.071 648 T CA 0.773 62.899 62.100 0.043 0.000 1.132 648 T CB 0.004 68.901 68.868 0.048 0.000 0.878 648 T HN 0.062 nan 8.240 nan 0.000 0.479 649 V N 0.726 120.591 119.914 -0.081 0.000 2.427 649 V HA -0.079 4.043 4.120 0.004 0.000 0.248 649 V C 1.926 177.946 176.094 -0.123 0.000 1.051 649 V CA 1.526 63.752 62.300 -0.124 0.000 1.048 649 V CB -0.687 31.003 31.823 -0.221 0.000 0.666 649 V HN 0.524 nan 8.190 nan 0.000 0.456 650 F N 0.957 120.906 119.950 -0.002 0.000 2.118 650 F HA -0.152 4.377 4.527 0.003 0.000 0.293 650 F C 2.847 178.651 175.800 0.008 0.000 1.102 650 F CA 1.190 59.171 58.000 -0.032 0.000 1.247 650 F CB -0.664 38.315 39.000 -0.035 0.000 1.017 650 F HN 0.242 nan 8.300 nan 0.000 0.475 651 S N 0.162 115.994 115.700 0.220 0.000 2.399 651 S HA -0.205 4.267 4.470 0.004 0.000 0.231 651 S C 1.381 176.035 174.600 0.090 0.000 1.022 651 S CA 1.421 59.703 58.200 0.136 0.000 0.983 651 S CB -0.654 62.613 63.200 0.112 0.000 0.803 651 S HN 0.494 nan 8.310 nan 0.000 0.480 652 E N 0.738 120.981 120.200 0.070 0.000 2.489 652 E HA 0.078 4.430 4.350 0.004 0.000 0.193 652 E C -0.335 176.289 176.600 0.039 0.000 1.057 652 E CA 0.238 56.663 56.400 0.042 0.000 0.866 652 E CB -0.197 29.518 29.700 0.026 0.000 0.916 652 E HN 0.527 nan 8.360 nan 0.000 0.500 653 D N 0.897 121.336 120.400 0.066 0.000 2.737 653 D HA -0.193 4.449 4.640 0.004 0.000 0.238 653 D C -0.894 175.433 176.300 0.045 0.000 1.157 653 D CA 0.350 54.395 54.000 0.075 0.000 0.694 653 D CB -1.196 39.649 40.800 0.076 0.000 1.021 653 D HN 0.252 nan 8.370 nan 0.000 0.420 654 I N 1.514 122.081 120.570 -0.005 0.000 2.227 654 I HA 0.043 4.215 4.170 0.004 0.000 0.297 654 I C 1.651 177.723 176.117 -0.076 0.000 1.173 654 I CA -0.657 60.583 61.300 -0.100 0.000 1.356 654 I CB 0.935 38.796 38.000 -0.232 0.000 1.485 654 I HN 0.100 nan 8.210 nan 0.000 0.604 655 Q N 3.278 123.095 119.800 0.029 0.000 2.152 655 Q HA -0.237 4.106 4.340 0.004 0.000 0.206 655 Q C 1.630 177.590 176.000 -0.067 0.000 0.985 655 Q CA 1.950 57.751 55.803 -0.004 0.000 0.863 655 Q CB 0.109 28.846 28.738 -0.002 0.000 0.904 655 Q HN 0.589 nan 8.270 nan 0.000 0.422 656 E N -1.152 119.013 120.200 -0.058 0.000 2.209 656 E HA -0.121 4.231 4.350 0.004 0.000 0.196 656 E C 1.566 178.348 176.600 0.303 0.000 0.993 656 E CA 1.094 57.516 56.400 0.037 0.000 0.819 656 E CB -0.201 29.517 29.700 0.030 0.000 0.745 656 E HN 0.481 nan 8.360 nan 0.000 0.477 657 F N -0.775 119.187 119.950 0.021 0.000 2.656 657 F HA 0.191 4.720 4.527 0.004 0.000 0.291 657 F C 1.847 177.472 175.800 -0.293 0.000 1.122 657 F CA -0.432 57.528 58.000 -0.066 0.000 1.427 657 F CB 0.163 39.181 39.000 0.030 0.000 1.125 657 F HN -0.047 nan 8.300 nan 0.000 0.583 658 I N 1.901 122.443 120.570 -0.047 0.000 2.151 658 I HA -0.246 3.926 4.170 0.004 0.000 0.243 658 I C -0.498 175.505 176.117 -0.190 0.000 1.080 658 I CA 1.615 62.816 61.300 -0.164 0.000 1.339 658 I CB -1.675 36.307 38.000 -0.030 0.000 1.039 658 I HN -0.011 nan 8.210 nan 0.000 0.409 659 P HA -0.160 nan 4.420 nan 0.000 0.221 659 P C 1.364 178.522 177.300 -0.236 0.000 1.150 659 P CA 1.618 64.673 63.100 -0.075 0.000 0.800 659 P CB -0.099 31.538 31.700 -0.105 0.000 0.787 660 Y N -0.287 119.771 120.300 -0.404 0.000 2.243 660 Y HA -0.111 4.441 4.550 0.003 0.000 0.293 660 Y C 2.640 178.118 175.900 -0.704 0.000 1.124 660 Y CA 0.443 58.113 58.100 -0.717 0.000 1.159 660 Y CB -0.992 36.540 38.460 -1.546 0.000 1.008 660 Y HN -0.294 nan 8.280 nan 0.000 0.527 661 V N -0.294 119.231 119.914 -0.649 0.000 2.343 661 V HA -0.321 3.801 4.120 0.004 0.000 0.247 661 V C 1.951 177.830 176.094 -0.359 0.000 1.051 661 V CA 1.817 63.645 62.300 -0.786 0.000 1.036 661 V CB -0.784 30.405 31.823 -1.056 0.000 0.654 661 V HN 0.381 nan 8.190 nan 0.000 0.451 662 F N -0.054 119.811 119.950 -0.142 0.000 2.134 662 F HA -0.231 4.298 4.527 0.003 0.000 0.299 662 F C 2.705 178.458 175.800 -0.078 0.000 1.097 662 F CA 1.536 59.497 58.000 -0.065 0.000 1.264 662 F CB -0.190 38.745 39.000 -0.107 0.000 1.001 662 F HN 0.162 nan 8.300 nan 0.000 0.479 663 Q N 0.010 119.876 119.800 0.109 0.000 2.050 663 Q HA -0.200 4.142 4.340 0.004 0.000 0.202 663 Q C 2.305 178.355 176.000 0.084 0.000 0.980 663 Q CA 1.244 57.096 55.803 0.081 0.000 0.840 663 Q CB -0.128 28.646 28.738 0.060 0.000 0.898 663 Q HN 0.372 nan 8.270 nan 0.000 0.424 664 I N 0.869 121.459 120.570 0.033 0.000 2.179 664 I HA -0.267 3.905 4.170 0.004 0.000 0.242 664 I C 2.321 178.551 176.117 0.189 0.000 1.088 664 I CA 1.504 62.868 61.300 0.106 0.000 1.357 664 I CB -0.959 37.105 38.000 0.107 0.000 1.051 664 I HN 0.266 nan 8.210 nan 0.000 0.409 665 I N 0.873 121.531 120.570 0.146 0.000 2.286 665 I HA -0.268 3.904 4.170 0.004 0.000 0.248 665 I C 2.738 178.896 176.117 0.068 0.000 1.115 665 I CA 1.285 62.684 61.300 0.165 0.000 1.392 665 I CB -0.478 37.646 38.000 0.207 0.000 1.065 665 I HN 0.130 nan 8.210 nan 0.000 0.418 666 A N 0.822 123.671 122.820 0.049 0.000 1.902 666 A HA -0.257 4.065 4.320 0.004 0.000 0.217 666 A C 2.237 179.838 177.584 0.028 0.000 1.181 666 A CA 1.410 53.426 52.037 -0.035 0.000 0.623 666 A CB -0.975 18.014 19.000 -0.018 0.000 0.818 666 A HN 0.438 nan 8.150 nan 0.000 0.443 667 F N 0.919 120.858 119.950 -0.019 0.000 2.095 667 F HA -0.198 4.331 4.527 0.003 0.000 0.298 667 F C 2.255 178.054 175.800 -0.001 0.000 1.104 667 F CA 2.048 60.045 58.000 -0.005 0.000 1.232 667 F CB -0.488 38.516 39.000 0.006 0.000 0.987 667 F HN 0.034 nan 8.300 nan 0.000 0.475 668 V N -0.201 119.734 119.914 0.036 0.000 2.255 668 V HA -0.341 3.781 4.120 0.004 0.000 0.247 668 V C 2.439 178.458 176.094 -0.125 0.000 1.051 668 V CA 1.864 64.136 62.300 -0.047 0.000 1.018 668 V CB -0.974 30.906 31.823 0.096 0.000 0.641 668 V HN 0.301 nan 8.190 nan 0.000 0.445 669 V N -0.209 119.642 119.914 -0.105 0.000 2.332 669 V HA -0.298 3.824 4.120 0.004 0.000 0.248 669 V C 2.403 178.415 176.094 -0.137 0.000 1.055 669 V CA 2.224 64.448 62.300 -0.127 0.000 1.038 669 V CB -0.745 30.925 31.823 -0.255 0.000 0.651 669 V HN 0.624 nan 8.190 nan 0.000 0.450 670 E N -0.384 119.714 120.200 -0.170 0.000 2.118 670 E HA -0.229 4.123 4.350 0.004 0.000 0.195 670 E C 2.214 178.687 176.600 -0.211 0.000 0.992 670 E CA 1.112 57.415 56.400 -0.161 0.000 0.804 670 E CB -0.100 29.508 29.700 -0.153 0.000 0.741 670 E HN 0.564 nan 8.360 nan 0.000 0.458 671 Q N -0.017 119.584 119.800 -0.333 0.000 2.425 671 Q HA 0.134 4.476 4.340 0.004 0.000 0.204 671 Q C 0.322 176.229 176.000 -0.155 0.000 0.933 671 Q CA 0.242 55.863 55.803 -0.303 0.000 0.939 671 Q CB 0.897 29.332 28.738 -0.506 0.000 1.044 671 Q HN 0.020 nan 8.270 nan 0.000 0.513 672 S N 0.081 115.713 115.700 -0.114 0.000 2.617 672 S HA 0.474 4.946 4.470 0.004 0.000 0.283 672 S C 0.852 175.430 174.600 -0.037 0.000 1.189 672 S CA -0.054 58.113 58.200 -0.054 0.000 1.036 672 S CB 1.732 64.915 63.200 -0.029 0.000 1.014 672 S HN 0.304 nan 8.310 nan 0.000 0.522 673 A N 1.640 124.448 122.820 -0.019 0.000 2.016 673 A HA 0.195 4.518 4.320 0.004 0.000 0.217 673 A C 1.163 178.744 177.584 -0.004 0.000 1.162 673 A CA 1.098 53.127 52.037 -0.012 0.000 0.662 673 A CB -0.377 18.619 19.000 -0.007 0.000 0.812 673 A HN 0.824 nan 8.150 nan 0.000 0.450 674 T N -3.434 111.121 114.554 0.003 0.000 2.883 674 T HA 0.646 4.998 4.350 0.004 0.000 0.296 674 T C -0.535 174.182 174.700 0.027 0.000 1.117 674 T CA -0.723 61.385 62.100 0.013 0.000 1.006 674 T CB 1.009 69.884 68.868 0.012 0.000 1.191 674 T HN 0.098 nan 8.240 nan 0.000 0.508 675 I N 2.513 123.112 120.570 0.049 0.000 2.452 675 I HA 0.280 4.452 4.170 0.004 0.000 0.287 675 I C -2.165 173.998 176.117 0.077 0.000 1.079 675 I CA -2.108 59.247 61.300 0.091 0.000 1.387 675 I CB 0.567 38.665 38.000 0.163 0.000 1.404 675 I HN 0.444 nan 8.210 nan 0.000 0.522 676 P HA -0.067 nan 4.420 nan 0.000 0.264 676 P C 0.542 177.887 177.300 0.076 0.000 1.179 676 P CA 0.087 63.228 63.100 0.068 0.000 0.763 676 P CB 0.506 32.251 31.700 0.074 0.000 0.806 677 E N 1.444 121.677 120.200 0.055 0.000 2.118 677 E HA -0.159 4.193 4.350 0.004 0.000 0.195 677 E C 1.722 178.360 176.600 0.063 0.000 0.992 677 E CA 1.886 58.315 56.400 0.049 0.000 0.804 677 E CB -0.611 29.109 29.700 0.034 0.000 0.741 677 E HN 0.564 nan 8.360 nan 0.000 0.458 678 S N -0.103 115.640 115.700 0.072 0.000 2.515 678 S HA 0.005 4.477 4.470 0.004 0.000 0.231 678 S C 1.950 176.627 174.600 0.128 0.000 0.987 678 S CA 0.414 58.665 58.200 0.085 0.000 0.936 678 S CB -0.211 63.033 63.200 0.073 0.000 0.766 678 S HN 0.171 nan 8.310 nan 0.000 0.528 679 I N 0.499 121.160 120.570 0.152 0.000 3.265 679 I HA 0.099 4.271 4.170 0.004 0.000 0.282 679 I C 2.321 178.581 176.117 0.237 0.000 1.207 679 I CA 0.091 61.530 61.300 0.231 0.000 1.449 679 I CB -0.011 38.139 38.000 0.251 0.000 1.121 679 I HN 0.141 nan 8.210 nan 0.000 0.442 680 K N 1.552 122.034 120.400 0.137 0.000 2.059 680 K HA -0.188 4.134 4.320 0.004 0.000 0.212 680 K C -0.649 175.923 176.600 -0.047 0.000 1.050 680 K CA 1.793 58.089 56.287 0.014 0.000 0.927 680 K CB -1.302 31.190 32.500 -0.013 0.000 0.714 680 K HN 0.295 nan 8.250 nan 0.000 0.447 681 P HA -0.143 nan 4.420 nan 0.000 0.226 681 P C 1.051 178.369 177.300 0.030 0.000 1.146 681 P CA 1.163 64.273 63.100 0.016 0.000 0.773 681 P CB -0.018 31.711 31.700 0.049 0.000 0.772 682 L N -1.027 120.241 121.223 0.076 0.000 2.270 682 L HA 0.022 4.364 4.340 0.004 0.000 0.210 682 L C 2.709 179.598 176.870 0.033 0.000 1.104 682 L CA 0.802 55.715 54.840 0.122 0.000 0.804 682 L CB -1.010 41.226 42.059 0.295 0.000 0.937 682 L HN -0.077 nan 8.230 nan 0.000 0.450 683 A N 0.421 123.083 122.820 -0.262 0.000 1.881 683 A HA -0.335 3.987 4.320 0.004 0.000 0.219 683 A C 2.209 179.784 177.584 -0.015 0.000 1.215 683 A CA 2.230 53.926 52.037 -0.569 0.000 0.648 683 A CB -0.651 17.684 19.000 -1.108 0.000 0.832 683 A HN 0.494 nan 8.150 nan 0.000 0.455 684 Q N -1.153 118.642 119.800 -0.008 0.000 2.123 684 Q HA -0.068 4.274 4.340 0.004 0.000 0.199 684 Q C -0.441 175.603 176.000 0.073 0.000 0.966 684 Q CA 1.345 57.199 55.803 0.085 0.000 0.845 684 Q CB -0.836 27.929 28.738 0.045 0.000 0.907 684 Q HN 0.529 nan 8.270 nan 0.000 0.439 685 P HA -0.152 nan 4.420 nan 0.000 0.218 685 P C 1.220 178.559 177.300 0.066 0.000 1.149 685 P CA 0.797 63.925 63.100 0.046 0.000 0.817 685 P CB 0.024 31.740 31.700 0.027 0.000 0.785 686 L N -0.695 120.587 121.223 0.098 0.000 2.127 686 L HA -0.133 4.209 4.340 0.004 0.000 0.211 686 L C 1.808 178.828 176.870 0.251 0.000 1.089 686 L CA 1.760 56.677 54.840 0.128 0.000 0.757 686 L CB -1.083 41.104 42.059 0.214 0.000 0.899 686 L HN -0.081 nan 8.230 nan 0.000 0.434 687 L N -0.358 120.978 121.223 0.189 0.000 2.610 687 L HA 0.133 4.475 4.340 0.004 0.000 0.232 687 L C 1.234 178.167 176.870 0.104 0.000 1.149 687 L CA 0.022 54.939 54.840 0.127 0.000 0.872 687 L CB -0.970 41.073 42.059 -0.027 0.000 0.992 687 L HN 0.241 nan 8.230 nan 0.000 0.447 688 A N 0.787 123.687 122.820 0.132 0.000 2.488 688 A HA 0.208 4.530 4.320 0.004 0.000 0.249 688 A C -1.356 176.329 177.584 0.168 0.000 1.083 688 A CA -0.963 51.132 52.037 0.097 0.000 0.768 688 A CB 0.083 19.126 19.000 0.072 0.000 1.017 688 A HN -0.003 nan 8.150 nan 0.000 0.496 689 P HA -0.219 nan 4.420 nan 0.000 0.217 689 P C 1.238 178.632 177.300 0.157 0.000 1.151 689 P CA 1.714 64.869 63.100 0.092 0.000 0.849 689 P CB -0.028 31.681 31.700 0.014 0.000 0.787 690 N N -0.612 118.151 118.700 0.105 0.000 2.453 690 N HA -0.077 4.665 4.740 0.004 0.000 0.183 690 N C 1.284 176.830 175.510 0.060 0.000 1.041 690 N CA 0.962 54.058 53.050 0.076 0.000 0.900 690 N CB -1.190 37.327 38.487 0.050 0.000 0.961 690 N HN 0.065 nan 8.380 nan 0.000 0.443 691 V N -0.680 119.281 119.914 0.078 0.000 2.809 691 V HA -0.083 4.039 4.120 0.004 0.000 0.256 691 V C 0.576 176.477 176.094 -0.322 0.000 1.080 691 V CA 0.892 63.122 62.300 -0.117 0.000 1.102 691 V CB -0.764 30.929 31.823 -0.217 0.000 0.705 691 V HN 0.343 nan 8.190 nan 0.000 0.475 692 W N -0.100 121.115 121.300 -0.142 0.000 3.086 692 W HA 0.368 5.030 4.660 0.003 0.000 0.436 692 W C 1.595 178.007 176.519 -0.178 0.000 0.939 692 W CA -0.548 56.675 57.345 -0.202 0.000 2.108 692 W CB -0.367 28.966 29.460 -0.213 0.000 1.093 692 W HN 0.222 nan 8.180 nan 0.000 0.783 693 E N 0.114 120.321 120.200 0.011 0.000 2.216 693 E HA 0.098 4.450 4.350 0.004 0.000 0.192 693 E C 0.458 177.051 176.600 -0.011 0.000 0.973 693 E CA 0.360 56.771 56.400 0.019 0.000 0.851 693 E CB 0.265 29.986 29.700 0.036 0.000 0.804 693 E HN 0.111 nan 8.360 nan 0.000 0.477 694 L N 1.784 122.967 121.223 -0.067 0.000 2.289 694 L HA 0.225 4.567 4.340 0.004 0.000 0.285 694 L C 1.318 178.110 176.870 -0.129 0.000 1.049 694 L CA -0.278 54.520 54.840 -0.070 0.000 0.804 694 L CB 1.271 43.282 42.059 -0.081 0.000 1.195 694 L HN -0.052 nan 8.230 nan 0.000 0.428 695 K N 2.669 123.042 120.400 -0.046 0.000 2.152 695 K HA -0.158 4.164 4.320 0.004 0.000 0.206 695 K C 1.666 178.209 176.600 -0.095 0.000 1.048 695 K CA 1.685 57.963 56.287 -0.016 0.000 0.933 695 K CB -0.070 32.503 32.500 0.123 0.000 0.721 695 K HN 0.926 nan 8.250 nan 0.000 0.447 696 G N 0.403 109.149 108.800 -0.090 0.000 2.471 696 G HA2 -0.194 3.768 3.960 0.004 0.000 0.219 696 G HA3 -0.194 3.768 3.960 0.004 0.000 0.219 696 G C 1.154 176.004 174.900 -0.084 0.000 1.125 696 G CA 0.530 45.603 45.100 -0.046 0.000 0.775 696 G HN 0.317 nan 8.290 nan 0.000 0.548 697 N N 0.268 118.853 118.700 -0.193 0.000 2.409 697 N HA 0.036 4.778 4.740 0.004 0.000 0.174 697 N C 2.077 177.275 175.510 -0.520 0.000 1.037 697 N CA -0.134 52.759 53.050 -0.261 0.000 0.898 697 N CB 0.049 38.405 38.487 -0.218 0.000 1.010 697 N HN 0.092 nan 8.380 nan 0.000 0.445 698 I N 1.922 122.146 120.570 -0.577 0.000 2.113 698 I HA -0.199 3.973 4.170 0.004 0.000 0.242 698 I C -0.637 174.952 176.117 -0.880 0.000 1.064 698 I CA 1.581 62.445 61.300 -0.726 0.000 1.320 698 I CB -2.379 35.150 38.000 -0.784 0.000 1.028 698 I HN 0.039 nan 8.210 nan 0.000 0.406 699 P HA -0.090 nan 4.420 nan 0.000 0.218 699 P C 1.606 178.381 177.300 -0.875 0.000 1.148 699 P CA 1.934 64.339 63.100 -1.158 0.000 0.822 699 P CB 0.031 30.756 31.700 -1.627 0.000 0.784 700 A N -0.412 121.944 122.820 -0.774 0.000 1.874 700 A HA -0.094 4.228 4.320 0.004 0.000 0.214 700 A C 2.205 179.486 177.584 -0.506 0.000 1.189 700 A CA 1.794 53.603 52.037 -0.380 0.000 0.615 700 A CB -1.702 17.264 19.000 -0.056 0.000 0.830 700 A HN 0.151 nan 8.150 nan 0.000 0.443 701 V N -2.694 116.706 119.914 -0.857 0.000 2.667 701 V HA -0.126 3.996 4.120 0.004 0.000 0.252 701 V C 2.111 177.812 176.094 -0.655 0.000 1.065 701 V CA 2.461 64.076 62.300 -1.142 0.000 1.083 701 V CB -1.757 28.972 31.823 -1.824 0.000 0.692 701 V HN 0.381 nan 8.190 nan 0.000 0.468 702 T N 0.415 114.685 114.554 -0.473 0.000 2.788 702 T HA -0.163 4.189 4.350 0.004 0.000 0.268 702 T C 1.990 176.622 174.700 -0.113 0.000 1.044 702 T CA 2.097 64.154 62.100 -0.072 0.000 1.139 702 T CB -0.336 68.472 68.868 -0.099 0.000 0.867 702 T HN 0.580 nan 8.240 nan 0.000 0.454 703 R N 0.325 120.708 120.500 -0.194 0.000 2.075 703 R HA -0.025 4.317 4.340 0.004 0.000 0.232 703 R C 2.369 178.596 176.300 -0.122 0.000 1.126 703 R CA 1.020 57.040 56.100 -0.133 0.000 0.963 703 R CB -0.413 29.832 30.300 -0.092 0.000 0.858 703 R HN 0.275 nan 8.270 nan 0.000 0.435 704 L N 1.014 122.139 121.223 -0.163 0.000 2.056 704 L HA -0.124 4.218 4.340 0.004 0.000 0.207 704 L C 2.071 178.897 176.870 -0.074 0.000 1.078 704 L CA 1.462 56.195 54.840 -0.178 0.000 0.749 704 L CB -0.680 41.270 42.059 -0.180 0.000 0.901 704 L HN 0.281 nan 8.230 nan 0.000 0.433 705 L N -0.212 121.060 121.223 0.082 0.000 2.046 705 L HA -0.214 4.128 4.340 0.004 0.000 0.208 705 L C 2.431 179.444 176.870 0.239 0.000 1.077 705 L CA 1.867 56.891 54.840 0.306 0.000 0.747 705 L CB -0.820 41.412 42.059 0.289 0.000 0.896 705 L HN 0.266 nan 8.230 nan 0.000 0.432 706 K N -0.571 119.863 120.400 0.056 0.000 2.147 706 K HA -0.133 4.189 4.320 0.004 0.000 0.205 706 K C 2.168 178.834 176.600 0.110 0.000 1.049 706 K CA 1.527 57.798 56.287 -0.027 0.000 0.936 706 K CB -0.267 31.991 32.500 -0.404 0.000 0.722 706 K HN 0.628 nan 8.250 nan 0.000 0.446 707 S N 0.379 116.087 115.700 0.013 0.000 2.387 707 S HA -0.083 4.389 4.470 0.004 0.000 0.226 707 S C 1.941 176.556 174.600 0.025 0.000 1.026 707 S CA 0.604 58.789 58.200 -0.025 0.000 0.972 707 S CB -0.609 62.492 63.200 -0.165 0.000 0.814 707 S HN 0.218 nan 8.310 nan 0.000 0.477 708 F N 1.596 121.617 119.950 0.118 0.000 2.102 708 F HA 0.057 4.587 4.527 0.004 0.000 0.298 708 F C 2.360 178.231 175.800 0.119 0.000 1.105 708 F CA 1.054 59.098 58.000 0.074 0.000 1.239 708 F CB -0.340 38.713 39.000 0.087 0.000 0.991 708 F HN 0.165 nan 8.300 nan 0.000 0.474 709 I N 0.188 121.038 120.570 0.466 0.000 2.163 709 I HA -0.351 3.821 4.170 0.004 0.000 0.243 709 I C 2.451 178.684 176.117 0.193 0.000 1.085 709 I CA 1.574 63.085 61.300 0.353 0.000 1.347 709 I CB -0.404 37.790 38.000 0.322 0.000 1.044 709 I HN 0.074 nan 8.210 nan 0.000 0.408 710 K N 0.222 120.727 120.400 0.176 0.000 2.057 710 K HA -0.141 4.182 4.320 0.004 0.000 0.206 710 K C 2.071 178.688 176.600 0.029 0.000 1.050 710 K CA 1.778 58.093 56.287 0.046 0.000 0.935 710 K CB -0.015 32.512 32.500 0.045 0.000 0.715 710 K HN 0.189 nan 8.250 nan 0.000 0.439 711 T N -0.109 114.478 114.554 0.056 0.000 2.812 711 T HA -0.090 4.262 4.350 0.004 0.000 0.264 711 T C 0.187 174.909 174.700 0.037 0.000 1.042 711 T CA 1.212 63.331 62.100 0.033 0.000 1.140 711 T CB 0.055 68.940 68.868 0.029 0.000 0.870 711 T HN 0.235 nan 8.240 nan 0.000 0.445 712 D N -0.031 120.405 120.400 0.061 0.000 2.634 712 D HA 0.118 4.760 4.640 0.004 0.000 0.236 712 D C 0.916 177.215 176.300 -0.001 0.000 1.323 712 D CA -0.035 53.978 54.000 0.022 0.000 0.884 712 D CB 0.331 41.134 40.800 0.005 0.000 1.496 712 D HN 0.139 nan 8.370 nan 0.000 0.525 713 S N 0.137 115.865 115.700 0.047 0.000 2.469 713 S HA -0.176 4.296 4.470 0.004 0.000 0.238 713 S C 1.825 176.457 174.600 0.054 0.000 0.998 713 S CA 1.223 59.487 58.200 0.108 0.000 0.957 713 S CB -0.235 63.047 63.200 0.137 0.000 0.764 713 S HN 0.340 nan 8.310 nan 0.000 0.514 714 S N 1.270 116.967 115.700 -0.004 0.000 2.507 714 S HA 0.041 4.513 4.470 0.004 0.000 0.235 714 S C 1.536 176.084 174.600 -0.087 0.000 0.988 714 S CA 0.509 58.700 58.200 -0.014 0.000 0.944 714 S CB -0.737 62.454 63.200 -0.015 0.000 0.762 714 S HN 0.436 nan 8.310 nan 0.000 0.526 715 I N 0.917 121.351 120.570 -0.226 0.000 2.567 715 I HA 0.167 4.339 4.170 0.004 0.000 0.257 715 I C -0.212 175.632 176.117 -0.455 0.000 1.184 715 I CA 0.121 61.174 61.300 -0.413 0.000 1.451 715 I CB -0.409 37.184 38.000 -0.678 0.000 1.089 715 I HN 0.293 nan 8.210 nan 0.000 0.441 716 F N 2.719 122.622 119.950 -0.078 0.000 2.303 716 F HA 0.337 4.866 4.527 0.003 0.000 0.368 716 F C -1.095 174.676 175.800 -0.049 0.000 1.105 716 F CA -1.774 56.180 58.000 -0.077 0.000 1.153 716 F CB 0.429 39.386 39.000 -0.072 0.000 1.362 716 F HN 0.009 nan 8.300 nan 0.000 0.511 717 P HA -0.139 nan 4.420 nan 0.000 0.221 717 P C -0.057 177.289 177.300 0.076 0.000 1.150 717 P CA 1.139 64.282 63.100 0.070 0.000 0.800 717 P CB 0.401 32.125 31.700 0.041 0.000 0.787 718 D N -0.715 119.728 120.400 0.071 0.000 2.408 718 D HA 0.220 4.862 4.640 0.004 0.000 0.243 718 D C 1.049 177.308 176.300 -0.068 0.000 1.075 718 D CA -0.543 53.471 54.000 0.023 0.000 0.832 718 D CB 1.018 41.828 40.800 0.017 0.000 1.162 718 D HN -0.199 nan 8.370 nan 0.000 0.515 719 L N 3.081 124.195 121.223 -0.181 0.000 2.418 719 L HA 0.004 4.346 4.340 0.004 0.000 0.218 719 L C 2.113 178.704 176.870 -0.466 0.000 1.125 719 L CA 0.030 54.641 54.840 -0.382 0.000 0.835 719 L CB -0.023 41.695 42.059 -0.567 0.000 0.953 719 L HN 0.381 nan 8.230 nan 0.000 0.454 720 V N 1.380 121.066 119.914 -0.379 0.000 2.250 720 V HA -0.216 3.906 4.120 0.004 0.000 0.250 720 V C 0.011 175.984 176.094 -0.202 0.000 1.060 720 V CA 2.420 64.573 62.300 -0.245 0.000 1.030 720 V CB -1.642 30.140 31.823 -0.068 0.000 0.643 720 V HN 0.401 nan 8.190 nan 0.000 0.445 721 P HA -0.052 nan 4.420 nan 0.000 0.223 721 P C 1.788 178.924 177.300 -0.274 0.000 1.151 721 P CA 1.139 64.126 63.100 -0.189 0.000 0.787 721 P CB 0.019 31.636 31.700 -0.139 0.000 0.788 722 V N 0.477 120.185 119.914 -0.343 0.000 2.453 722 V HA -0.178 3.944 4.120 0.004 0.000 0.247 722 V C 2.728 178.651 176.094 -0.285 0.000 1.048 722 V CA 1.421 63.477 62.300 -0.406 0.000 1.049 722 V CB -1.116 30.413 31.823 -0.490 0.000 0.672 722 V HN 0.018 nan 8.190 nan 0.000 0.457 723 L N 0.491 121.572 121.223 -0.237 0.000 2.201 723 L HA -0.018 4.325 4.340 0.004 0.000 0.212 723 L C 2.594 179.409 176.870 -0.091 0.000 1.105 723 L CA 1.386 56.163 54.840 -0.106 0.000 0.775 723 L CB -1.077 40.912 42.059 -0.117 0.000 0.913 723 L HN 0.459 nan 8.230 nan 0.000 0.440 724 G N 0.472 109.169 108.800 -0.172 0.000 2.422 724 G HA2 -0.187 3.775 3.960 0.004 0.000 0.218 724 G HA3 -0.187 3.775 3.960 0.004 0.000 0.218 724 G C 1.523 176.249 174.900 -0.289 0.000 1.146 724 G CA 0.343 45.327 45.100 -0.192 0.000 0.769 724 G HN 0.134 nan 8.290 nan 0.000 0.547 725 I N 0.317 120.652 120.570 -0.392 0.000 2.233 725 I HA -0.016 4.156 4.170 0.004 0.000 0.243 725 I C 2.398 178.245 176.117 -0.450 0.000 1.093 725 I CA 0.446 61.359 61.300 -0.645 0.000 1.380 725 I CB -1.340 36.103 38.000 -0.927 0.000 1.067 725 I HN 0.198 nan 8.210 nan 0.000 0.413 726 F N 2.140 121.856 119.950 -0.391 0.000 2.091 726 F HA -0.310 4.219 4.527 0.003 0.000 0.299 726 F C 2.769 178.423 175.800 -0.243 0.000 1.103 726 F CA 2.384 60.212 58.000 -0.287 0.000 1.228 726 F CB -0.742 38.124 39.000 -0.223 0.000 0.984 726 F HN 0.182 nan 8.300 nan 0.000 0.477 727 Q N 0.231 119.763 119.800 -0.446 0.000 2.061 727 Q HA -0.259 4.083 4.340 0.004 0.000 0.204 727 Q C 2.577 178.334 176.000 -0.405 0.000 0.984 727 Q CA 1.841 57.357 55.803 -0.479 0.000 0.846 727 Q CB -0.477 28.116 28.738 -0.241 0.000 0.902 727 Q HN 0.349 nan 8.270 nan 0.000 0.421 728 R N 0.459 120.762 120.500 -0.328 0.000 2.096 728 R HA -0.120 4.222 4.340 0.004 0.000 0.235 728 R C 2.175 178.358 176.300 -0.194 0.000 1.127 728 R CA 1.413 57.370 56.100 -0.239 0.000 0.968 728 R CB -0.445 29.710 30.300 -0.242 0.000 0.861 728 R HN 0.435 nan 8.270 nan 0.000 0.440 729 L N 0.050 121.121 121.223 -0.253 0.000 2.044 729 L HA -0.139 4.203 4.340 0.004 0.000 0.205 729 L C 2.562 179.328 176.870 -0.173 0.000 1.075 729 L CA 0.675 55.446 54.840 -0.116 0.000 0.747 729 L CB -0.400 41.601 42.059 -0.096 0.000 0.903 729 L HN 0.122 nan 8.230 nan 0.000 0.435 730 I N 0.283 120.589 120.570 -0.440 0.000 2.394 730 I HA -0.185 3.987 4.170 0.004 0.000 0.251 730 I C 2.421 178.354 176.117 -0.306 0.000 1.136 730 I CA 1.180 62.198 61.300 -0.471 0.000 1.425 730 I CB -0.205 37.219 38.000 -0.960 0.000 1.079 730 I HN 0.116 nan 8.210 nan 0.000 0.425 731 A N -1.011 121.629 122.820 -0.300 0.000 2.209 731 A HA 0.049 4.371 4.320 0.004 0.000 0.212 731 A C 1.514 178.996 177.584 -0.169 0.000 1.158 731 A CA 0.772 52.669 52.037 -0.233 0.000 0.742 731 A CB -0.619 18.259 19.000 -0.204 0.000 0.790 731 A HN 0.406 nan 8.150 nan 0.000 0.472 732 S N -0.474 115.153 115.700 -0.123 0.000 2.457 732 S HA 0.330 4.802 4.470 0.004 0.000 0.289 732 S C 0.813 175.343 174.600 -0.116 0.000 1.163 732 S CA -0.640 57.501 58.200 -0.099 0.000 1.078 732 S CB 0.822 64.019 63.200 -0.005 0.000 0.987 732 S HN 0.405 nan 8.310 nan 0.000 0.482 733 K N 3.519 123.834 120.400 -0.143 0.000 2.097 733 K HA -0.054 4.269 4.320 0.004 0.000 0.205 733 K C 2.176 178.687 176.600 -0.148 0.000 1.050 733 K CA 1.358 57.578 56.287 -0.112 0.000 0.938 733 K CB -0.286 32.150 32.500 -0.106 0.000 0.718 733 K HN 0.719 nan 8.250 nan 0.000 0.442 734 A N 0.521 123.155 122.820 -0.309 0.000 1.929 734 A HA -0.094 4.228 4.320 0.004 0.000 0.216 734 A C 1.433 178.784 177.584 -0.388 0.000 1.176 734 A CA 0.980 52.750 52.037 -0.446 0.000 0.628 734 A CB -0.428 18.111 19.000 -0.768 0.000 0.816 734 A HN 0.359 nan 8.150 nan 0.000 0.444 735 Y N 0.403 120.720 120.300 0.028 0.000 2.458 735 Y HA 0.071 4.623 4.550 0.003 0.000 0.256 735 Y C 2.092 178.002 175.900 0.017 0.000 1.159 735 Y CA 0.090 58.239 58.100 0.082 0.000 1.261 735 Y CB 0.077 38.614 38.460 0.128 0.000 1.119 735 Y HN 0.580 nan 8.280 nan 0.000 0.524 736 E N 0.171 120.422 120.200 0.085 0.000 2.114 736 E HA -0.221 4.131 4.350 0.004 0.000 0.199 736 E C 1.810 178.483 176.600 0.122 0.000 1.008 736 E CA 1.979 58.438 56.400 0.097 0.000 0.810 736 E CB -0.827 28.996 29.700 0.205 0.000 0.739 736 E HN 0.308 nan 8.360 nan 0.000 0.456 737 V N 2.040 121.951 119.914 -0.004 0.000 2.324 737 V HA -0.262 3.860 4.120 0.004 0.000 0.250 737 V C 2.419 178.470 176.094 -0.072 0.000 1.060 737 V CA 2.264 64.504 62.300 -0.100 0.000 1.042 737 V CB -0.911 30.728 31.823 -0.307 0.000 0.650 737 V HN 0.417 nan 8.190 nan 0.000 0.450 738 H N 0.243 119.373 119.070 0.100 0.000 2.423 738 H HA -0.020 4.538 4.556 0.003 0.000 0.297 738 H C 2.431 177.803 175.328 0.074 0.000 1.075 738 H CA 1.416 57.505 56.048 0.069 0.000 1.342 738 H CB -0.714 29.079 29.762 0.050 0.000 1.395 738 H HN 0.487 nan 8.280 nan 0.000 0.530 739 G N 0.242 109.127 108.800 0.142 0.000 2.421 739 G HA2 -0.220 3.742 3.960 0.004 0.000 0.216 739 G HA3 -0.220 3.742 3.960 0.004 0.000 0.216 739 G C 1.510 176.483 174.900 0.122 0.000 1.171 739 G CA 0.406 45.538 45.100 0.053 0.000 0.775 739 G HN 0.267 nan 8.290 nan 0.000 0.543 740 F N 0.857 120.849 119.950 0.069 0.000 2.186 740 F HA -0.013 4.516 4.527 0.004 0.000 0.299 740 F C 2.442 178.275 175.800 0.055 0.000 1.090 740 F CA 1.279 59.281 58.000 0.004 0.000 1.307 740 F CB -0.044 38.901 39.000 -0.092 0.000 1.019 740 F HN 0.095 nan 8.300 nan 0.000 0.489 741 D N 0.422 120.966 120.400 0.240 0.000 2.097 741 D HA -0.179 4.463 4.640 0.004 0.000 0.195 741 D C 2.170 178.539 176.300 0.115 0.000 0.989 741 D CA 0.992 55.091 54.000 0.166 0.000 0.827 741 D CB -0.325 40.549 40.800 0.124 0.000 0.966 741 D HN 0.160 nan 8.370 nan 0.000 0.456 742 L N 0.283 121.564 121.223 0.098 0.000 2.017 742 L HA -0.077 4.265 4.340 0.004 0.000 0.208 742 L C 2.253 179.143 176.870 0.034 0.000 1.073 742 L CA 1.383 56.253 54.840 0.049 0.000 0.745 742 L CB -1.061 41.037 42.059 0.065 0.000 0.894 742 L HN 0.140 nan 8.230 nan 0.000 0.432 743 L N -0.057 121.155 121.223 -0.019 0.000 2.042 743 L HA -0.234 4.108 4.340 0.004 0.000 0.210 743 L C 2.416 179.339 176.870 0.089 0.000 1.076 743 L CA 1.869 56.586 54.840 -0.204 0.000 0.749 743 L CB -0.792 40.987 42.059 -0.467 0.000 0.893 743 L HN 0.435 nan 8.230 nan 0.000 0.432 744 E N -1.503 118.856 120.200 0.266 0.000 2.085 744 E HA -0.259 4.093 4.350 0.004 0.000 0.194 744 E C 2.123 178.829 176.600 0.177 0.000 0.994 744 E CA 1.493 58.087 56.400 0.323 0.000 0.801 744 E CB -0.246 29.665 29.700 0.352 0.000 0.743 744 E HN 0.671 nan 8.360 nan 0.000 0.453 745 H N -0.024 119.053 119.070 0.012 0.000 2.357 745 H HA -0.054 4.504 4.556 0.003 0.000 0.301 745 H C 2.324 177.625 175.328 -0.046 0.000 1.082 745 H CA 0.999 57.023 56.048 -0.040 0.000 1.342 745 H CB 0.128 29.877 29.762 -0.022 0.000 1.389 745 H HN 0.146 nan 8.280 nan 0.000 0.511 746 I N 0.650 121.258 120.570 0.064 0.000 2.127 746 I HA -0.309 3.863 4.170 0.004 0.000 0.241 746 I C 2.443 178.534 176.117 -0.043 0.000 1.075 746 I CA 1.048 62.335 61.300 -0.021 0.000 1.334 746 I CB -0.097 37.837 38.000 -0.111 0.000 1.040 746 I HN 0.264 nan 8.210 nan 0.000 0.405 747 M N -0.142 119.434 119.600 -0.040 0.000 2.200 747 M HA -0.107 4.375 4.480 0.004 0.000 0.265 747 M C 2.267 178.475 176.300 -0.152 0.000 1.066 747 M CA 1.676 56.923 55.300 -0.089 0.000 1.127 747 M CB -0.725 31.830 32.600 -0.075 0.000 1.379 747 M HN 0.286 nan 8.290 nan 0.000 0.420 748 L N -0.867 120.276 121.223 -0.134 0.000 2.375 748 L HA 0.018 4.360 4.340 0.004 0.000 0.215 748 L C 1.941 178.706 176.870 -0.176 0.000 1.108 748 L CA 0.371 55.107 54.840 -0.173 0.000 0.830 748 L CB -0.145 41.811 42.059 -0.171 0.000 0.959 748 L HN 0.250 nan 8.230 nan 0.000 0.457 749 L N -0.667 120.457 121.223 -0.164 0.000 2.638 749 L HA 0.225 4.567 4.340 0.004 0.000 0.232 749 L C 0.406 177.231 176.870 -0.076 0.000 1.099 749 L CA -0.170 54.581 54.840 -0.148 0.000 0.883 749 L CB 0.682 42.614 42.059 -0.212 0.000 1.136 749 L HN 0.036 nan 8.230 nan 0.000 0.492 750 I N 0.580 121.119 120.570 -0.052 0.000 2.353 750 I HA 0.165 4.337 4.170 0.004 0.000 0.293 750 I C -0.115 175.989 176.117 -0.021 0.000 0.992 750 I CA -0.552 60.739 61.300 -0.014 0.000 1.268 750 I CB 0.917 38.921 38.000 0.007 0.000 1.387 750 I HN -0.044 nan 8.210 nan 0.000 0.478 751 D N 5.023 125.420 120.400 -0.006 0.000 2.472 751 D HA -0.075 4.567 4.640 0.004 0.000 0.237 751 D C 1.016 177.323 176.300 0.012 0.000 1.141 751 D CA 0.049 54.045 54.000 -0.007 0.000 0.875 751 D CB 0.893 41.695 40.800 0.004 0.000 1.192 751 D HN 0.404 nan 8.370 nan 0.000 0.450 752 M N 2.692 122.294 119.600 0.004 0.000 2.279 752 M HA -0.183 4.299 4.480 0.004 0.000 0.264 752 M C 1.437 177.772 176.300 0.057 0.000 1.062 752 M CA 1.328 56.652 55.300 0.041 0.000 1.099 752 M CB -0.504 32.123 32.600 0.045 0.000 1.394 752 M HN 0.334 nan 8.290 nan 0.000 0.426 753 N N -0.170 118.553 118.700 0.037 0.000 2.223 753 N HA -0.162 4.580 4.740 0.004 0.000 0.185 753 N C 1.826 177.366 175.510 0.051 0.000 1.016 753 N CA 1.419 54.490 53.050 0.035 0.000 0.863 753 N CB -0.109 38.391 38.487 0.022 0.000 0.983 753 N HN 0.432 nan 8.380 nan 0.000 0.429 754 R N -0.519 120.022 120.500 0.068 0.000 2.140 754 R HA 0.185 4.527 4.340 0.004 0.000 0.213 754 R C 1.743 178.151 176.300 0.179 0.000 1.059 754 R CA 0.387 56.551 56.100 0.107 0.000 1.000 754 R CB 0.032 30.388 30.300 0.094 0.000 0.910 754 R HN 0.260 nan 8.270 nan 0.000 0.455 755 L N 0.248 121.565 121.223 0.156 0.000 2.395 755 L HA -0.019 4.324 4.340 0.004 0.000 0.218 755 L C 2.322 179.313 176.870 0.201 0.000 1.130 755 L CA 0.255 55.226 54.840 0.218 0.000 0.826 755 L CB -0.242 41.907 42.059 0.151 0.000 0.941 755 L HN 0.063 nan 8.230 nan 0.000 0.451 756 R N 1.657 122.224 120.500 0.113 0.000 2.112 756 R HA -0.179 4.164 4.340 0.004 0.000 0.242 756 R C -0.640 175.639 176.300 -0.035 0.000 1.137 756 R CA 2.095 58.226 56.100 0.051 0.000 0.944 756 R CB -1.706 28.605 30.300 0.018 0.000 0.857 756 R HN 0.168 nan 8.270 nan 0.000 0.435 757 P HA -0.059 nan 4.420 nan 0.000 0.228 757 P C -0.047 176.933 177.300 -0.533 0.000 1.151 757 P CA 1.204 64.049 63.100 -0.424 0.000 0.770 757 P CB 0.009 31.311 31.700 -0.662 0.000 0.786 758 Y N -3.453 116.876 120.300 0.049 0.000 2.527 758 Y HA 0.248 4.800 4.550 0.004 0.000 0.247 758 Y C 1.802 177.758 175.900 0.092 0.000 1.138 758 Y CA -0.573 57.560 58.100 0.055 0.000 1.228 758 Y CB -0.361 38.124 38.460 0.041 0.000 1.252 758 Y HN -0.197 nan 8.280 nan 0.000 0.531 759 I N 1.392 122.101 120.570 0.233 0.000 2.264 759 I HA -0.277 3.895 4.170 0.004 0.000 0.248 759 I C 2.430 178.685 176.117 0.230 0.000 1.111 759 I CA 1.703 63.179 61.300 0.293 0.000 1.382 759 I CB -0.161 38.008 38.000 0.282 0.000 1.060 759 I HN 0.131 nan 8.210 nan 0.000 0.418 760 K N -0.199 120.267 120.400 0.110 0.000 2.025 760 K HA -0.226 4.097 4.320 0.004 0.000 0.207 760 K C 2.128 178.752 176.600 0.039 0.000 1.049 760 K CA 1.596 57.901 56.287 0.030 0.000 0.933 760 K CB -0.166 32.340 32.500 0.011 0.000 0.714 760 K HN 0.396 nan 8.250 nan 0.000 0.438 761 Q N 0.502 120.357 119.800 0.092 0.000 2.096 761 Q HA -0.149 4.193 4.340 0.004 0.000 0.204 761 Q C 2.156 178.234 176.000 0.130 0.000 0.982 761 Q CA 1.820 57.685 55.803 0.103 0.000 0.850 761 Q CB -0.125 28.699 28.738 0.143 0.000 0.901 761 Q HN 0.392 nan 8.270 nan 0.000 0.422 762 I N 0.396 121.075 120.570 0.181 0.000 2.163 762 I HA -0.317 3.855 4.170 0.004 0.000 0.243 762 I C 2.394 178.635 176.117 0.207 0.000 1.085 762 I CA 1.073 62.508 61.300 0.224 0.000 1.347 762 I CB -0.450 37.705 38.000 0.258 0.000 1.044 762 I HN 0.202 nan 8.210 nan 0.000 0.408 763 A N 0.321 123.151 122.820 0.018 0.000 1.902 763 A HA -0.147 4.175 4.320 0.004 0.000 0.217 763 A C 2.424 179.968 177.584 -0.067 0.000 1.181 763 A CA 1.676 53.539 52.037 -0.290 0.000 0.623 763 A CB -0.928 17.578 19.000 -0.824 0.000 0.818 763 A HN 0.253 nan 8.150 nan 0.000 0.443 764 V N 0.174 120.076 119.914 -0.020 0.000 2.295 764 V HA -0.271 3.852 4.120 0.004 0.000 0.246 764 V C 2.579 178.692 176.094 0.030 0.000 1.049 764 V CA 1.995 64.299 62.300 0.007 0.000 1.024 764 V CB -0.784 31.045 31.823 0.009 0.000 0.648 764 V HN 0.576 nan 8.190 nan 0.000 0.447 765 L N -0.837 120.426 121.223 0.068 0.000 2.012 765 L HA -0.206 4.136 4.340 0.004 0.000 0.210 765 L C 2.481 179.366 176.870 0.026 0.000 1.073 765 L CA 1.444 56.306 54.840 0.036 0.000 0.748 765 L CB -0.652 41.469 42.059 0.102 0.000 0.891 765 L HN 0.341 nan 8.230 nan 0.000 0.431 766 L N -0.234 121.090 121.223 0.168 0.000 2.083 766 L HA -0.188 4.154 4.340 0.004 0.000 0.209 766 L C 2.104 179.078 176.870 0.174 0.000 1.083 766 L CA 1.776 56.729 54.840 0.190 0.000 0.752 766 L CB -0.244 41.985 42.059 0.283 0.000 0.899 766 L HN 0.150 nan 8.230 nan 0.000 0.433 767 L N -1.731 119.564 121.223 0.120 0.000 2.529 767 L HA 0.021 4.363 4.340 0.004 0.000 0.223 767 L C 2.313 179.187 176.870 0.007 0.000 1.113 767 L CA 0.144 55.042 54.840 0.098 0.000 0.861 767 L CB -0.394 41.729 42.059 0.106 0.000 1.012 767 L HN 0.317 nan 8.230 nan 0.000 0.461 768 Q N 0.078 119.859 119.800 -0.031 0.000 2.181 768 Q HA -0.169 4.173 4.340 0.004 0.000 0.205 768 Q C 2.184 178.094 176.000 -0.151 0.000 0.980 768 Q CA 1.124 56.881 55.803 -0.077 0.000 0.862 768 Q CB 0.086 28.772 28.738 -0.086 0.000 0.905 768 Q HN 0.341 nan 8.270 nan 0.000 0.429 769 R N 0.306 120.652 120.500 -0.256 0.000 2.120 769 R HA -0.092 4.250 4.340 0.004 0.000 0.234 769 R C 2.176 178.244 176.300 -0.387 0.000 1.123 769 R CA 0.870 56.686 56.100 -0.473 0.000 0.975 769 R CB -0.568 29.070 30.300 -1.103 0.000 0.866 769 R HN 0.347 nan 8.270 nan 0.000 0.446 770 L N 0.606 121.669 121.223 -0.266 0.000 2.131 770 L HA -0.166 4.176 4.340 0.004 0.000 0.210 770 L C 1.121 177.951 176.870 -0.066 0.000 1.092 770 L CA 1.334 56.044 54.840 -0.217 0.000 0.759 770 L CB -0.212 41.684 42.059 -0.273 0.000 0.903 770 L HN 0.132 nan 8.230 nan 0.000 0.435 771 Q N -0.042 119.728 119.800 -0.050 0.000 2.526 771 Q HA 0.174 4.517 4.340 0.004 0.000 0.353 771 Q C -0.259 175.717 176.000 -0.041 0.000 0.977 771 Q CA -0.197 55.602 55.803 -0.007 0.000 1.027 771 Q CB 0.369 29.114 28.738 0.011 0.000 1.272 771 Q HN 0.399 nan 8.270 nan 0.000 0.420 772 N N -1.009 117.649 118.700 -0.069 0.000 2.626 772 N HA -0.071 4.671 4.740 0.004 0.000 0.382 772 N C 0.004 175.458 175.510 -0.094 0.000 0.708 772 N CA 0.588 53.591 53.050 -0.079 0.000 1.857 772 N CB -0.205 38.222 38.487 -0.100 0.000 0.834 772 N HN 0.135 nan 8.380 nan 0.000 1.872 773 S N 1.998 117.609 115.700 -0.147 0.000 2.481 773 S HA 0.239 4.711 4.470 0.004 0.000 0.243 773 S C 0.103 174.587 174.600 -0.193 0.000 1.152 773 S CA -0.557 57.552 58.200 -0.151 0.000 1.168 773 S CB -0.521 62.584 63.200 -0.159 0.000 0.835 773 S HN 0.328 nan 8.310 nan 0.000 0.474 774 K N 1.110 121.405 120.400 -0.175 0.000 2.436 774 K HA 0.335 4.657 4.320 0.004 0.000 0.275 774 K C 0.103 176.672 176.600 -0.051 0.000 0.999 774 K CA -0.074 56.115 56.287 -0.164 0.000 0.980 774 K CB 0.085 32.528 32.500 -0.096 0.000 0.919 774 K HN 0.303 nan 8.250 nan 0.000 0.484 775 T N -1.711 112.854 114.554 0.017 0.000 2.926 775 T HA 0.152 4.504 4.350 0.004 0.000 0.289 775 T C 0.835 175.590 174.700 0.093 0.000 1.054 775 T CA -0.905 61.225 62.100 0.051 0.000 1.015 775 T CB 1.734 70.634 68.868 0.053 0.000 1.167 775 T HN 0.797 nan 8.240 nan 0.000 0.526 776 E N 0.142 120.384 120.200 0.070 0.000 2.077 776 E HA -0.166 4.186 4.350 0.004 0.000 0.193 776 E C 2.221 178.867 176.600 0.076 0.000 0.989 776 E CA 0.840 57.279 56.400 0.066 0.000 0.800 776 E CB -0.010 29.718 29.700 0.045 0.000 0.746 776 E HN 0.654 nan 8.360 nan 0.000 0.452 777 R N -0.585 119.974 120.500 0.098 0.000 2.081 777 R HA -0.220 4.123 4.340 0.004 0.000 0.235 777 R C 2.301 178.612 176.300 0.019 0.000 1.131 777 R CA 1.687 57.853 56.100 0.111 0.000 0.960 777 R CB -0.503 29.877 30.300 0.133 0.000 0.856 777 R HN 0.275 nan 8.270 nan 0.000 0.436 778 Y N 0.675 120.968 120.300 -0.011 0.000 2.097 778 Y HA -0.257 4.295 4.550 0.004 0.000 0.282 778 Y C 2.056 177.921 175.900 -0.057 0.000 1.152 778 Y CA 2.043 60.158 58.100 0.025 0.000 1.136 778 Y CB -0.311 38.164 38.460 0.027 0.000 0.975 778 Y HN -0.115 nan 8.280 nan 0.000 0.498 779 V N 0.524 120.456 119.914 0.030 0.000 2.490 779 V HA -0.298 3.824 4.120 0.004 0.000 0.250 779 V C 2.211 178.192 176.094 -0.188 0.000 1.061 779 V CA 2.185 64.426 62.300 -0.099 0.000 1.064 779 V CB -0.551 31.267 31.823 -0.010 0.000 0.670 779 V HN 0.353 nan 8.190 nan 0.000 0.461 780 K N -0.346 119.971 120.400 -0.138 0.000 2.057 780 K HA -0.119 4.204 4.320 0.004 0.000 0.206 780 K C 2.315 178.747 176.600 -0.280 0.000 1.050 780 K CA 0.904 57.115 56.287 -0.127 0.000 0.935 780 K CB -0.150 32.367 32.500 0.028 0.000 0.715 780 K HN 0.233 nan 8.250 nan 0.000 0.439 781 K N 1.006 121.095 120.400 -0.518 0.000 2.097 781 K HA -0.110 4.212 4.320 0.004 0.000 0.205 781 K C 2.090 178.054 176.600 -1.061 0.000 1.050 781 K CA 0.763 56.471 56.287 -0.964 0.000 0.938 781 K CB -0.373 31.202 32.500 -1.540 0.000 0.718 781 K HN 0.076 nan 8.250 nan 0.000 0.442 782 L N 1.307 122.038 121.223 -0.820 0.000 2.046 782 L HA -0.137 4.205 4.340 0.004 0.000 0.208 782 L C 1.960 178.673 176.870 -0.263 0.000 1.077 782 L CA 1.879 56.501 54.840 -0.364 0.000 0.747 782 L CB -0.876 40.983 42.059 -0.333 0.000 0.896 782 L HN 0.106 nan 8.230 nan 0.000 0.432 783 T N -1.220 113.140 114.554 -0.324 0.000 2.746 783 T HA -0.157 4.195 4.350 0.004 0.000 0.267 783 T C 1.949 176.607 174.700 -0.071 0.000 1.039 783 T CA 1.608 63.563 62.100 -0.242 0.000 1.142 783 T CB -0.349 68.392 68.868 -0.212 0.000 0.866 783 T HN 0.200 nan 8.240 nan 0.000 0.444 784 V N 0.992 120.850 119.914 -0.094 0.000 2.358 784 V HA -0.099 4.023 4.120 0.004 0.000 0.246 784 V C 1.978 178.120 176.094 0.080 0.000 1.047 784 V CA 1.473 63.755 62.300 -0.030 0.000 1.035 784 V CB -0.719 31.053 31.823 -0.086 0.000 0.658 784 V HN 0.424 nan 8.190 nan 0.000 0.452 785 F N 0.360 120.293 119.950 -0.027 0.000 2.126 785 F HA -0.193 4.336 4.527 0.003 0.000 0.299 785 F C 2.091 178.100 175.800 0.349 0.000 1.096 785 F CA 1.558 59.659 58.000 0.170 0.000 1.255 785 F CB -0.472 38.707 39.000 0.298 0.000 0.997 785 F HN 0.116 nan 8.300 nan 0.000 0.479 786 F N 0.066 120.096 119.950 0.134 0.000 2.134 786 F HA -0.150 4.379 4.527 0.003 0.000 0.299 786 F C 2.647 178.466 175.800 0.031 0.000 1.097 786 F CA 0.670 58.742 58.000 0.120 0.000 1.264 786 F CB -1.010 38.157 39.000 0.279 0.000 1.001 786 F HN 0.097 nan 8.300 nan 0.000 0.479 787 G N 0.059 108.991 108.800 0.219 0.000 2.422 787 G HA2 -0.278 3.684 3.960 0.004 0.000 0.218 787 G HA3 -0.278 3.684 3.960 0.004 0.000 0.218 787 G C 1.473 176.374 174.900 0.003 0.000 1.146 787 G CA 0.771 45.934 45.100 0.103 0.000 0.769 787 G HN 0.250 nan 8.290 nan 0.000 0.547 788 L N 0.689 121.880 121.223 -0.052 0.000 2.027 788 L HA 0.033 4.375 4.340 0.004 0.000 0.206 788 L C 2.570 179.331 176.870 -0.181 0.000 1.074 788 L CA 1.274 56.051 54.840 -0.105 0.000 0.745 788 L CB -0.322 41.685 42.059 -0.085 0.000 0.898 788 L HN 0.081 nan 8.230 nan 0.000 0.433 789 I N -0.856 119.522 120.570 -0.319 0.000 2.179 789 I HA -0.263 3.909 4.170 0.004 0.000 0.242 789 I C 2.739 178.751 176.117 -0.176 0.000 1.088 789 I CA 1.701 62.797 61.300 -0.340 0.000 1.357 789 I CB -1.659 36.080 38.000 -0.435 0.000 1.051 789 I HN 0.417 nan 8.210 nan 0.000 0.409 790 S N 1.488 117.137 115.700 -0.085 0.000 2.353 790 S HA -0.209 4.263 4.470 0.004 0.000 0.222 790 S C 1.820 176.389 174.600 -0.051 0.000 1.035 790 S CA 1.778 59.956 58.200 -0.037 0.000 1.025 790 S CB -0.275 62.943 63.200 0.031 0.000 0.902 790 S HN 0.438 nan 8.310 nan 0.000 0.440 791 N N 0.905 119.575 118.700 -0.050 0.000 2.289 791 N HA -0.038 4.705 4.740 0.004 0.000 0.184 791 N C 1.584 177.056 175.510 -0.063 0.000 1.016 791 N CA 0.932 53.952 53.050 -0.051 0.000 0.872 791 N CB -0.133 38.317 38.487 -0.061 0.000 0.973 791 N HN 0.428 nan 8.380 nan 0.000 0.433 792 K N 0.525 120.870 120.400 -0.091 0.000 2.214 792 K HA 0.247 4.569 4.320 0.004 0.000 0.210 792 K C 2.113 178.624 176.600 -0.147 0.000 1.036 792 K CA 0.158 56.383 56.287 -0.103 0.000 0.958 792 K CB -0.551 31.886 32.500 -0.105 0.000 0.973 792 K HN 0.081 nan 8.250 nan 0.000 0.466 793 L N 0.576 121.659 121.223 -0.233 0.000 2.395 793 L HA 0.085 4.427 4.340 0.004 0.000 0.218 793 L C 0.818 177.607 176.870 -0.135 0.000 1.130 793 L CA 0.412 55.062 54.840 -0.317 0.000 0.826 793 L CB -0.431 41.182 42.059 -0.744 0.000 0.941 793 L HN 0.385 nan 8.230 nan 0.000 0.451 794 G N -0.526 108.228 108.800 -0.076 0.000 2.629 794 G HA2 -0.208 3.754 3.960 0.004 0.000 0.686 794 G HA3 -0.208 3.754 3.960 0.004 0.000 0.686 794 G C 0.554 175.455 174.900 0.002 0.000 1.232 794 G CA -0.197 44.892 45.100 -0.019 0.000 0.803 794 G HN 0.121 nan 8.290 nan 0.000 0.638 795 S N -0.319 115.364 115.700 -0.029 0.000 2.368 795 S HA -0.102 4.370 4.470 0.004 0.000 0.225 795 S C 1.584 176.131 174.600 -0.089 0.000 1.030 795 S CA 2.128 60.276 58.200 -0.087 0.000 0.999 795 S CB -0.183 62.945 63.200 -0.120 0.000 0.844 795 S HN 0.644 nan 8.310 nan 0.000 0.459 796 D N 1.057 121.446 120.400 -0.018 0.000 2.144 796 D HA -0.038 4.604 4.640 0.004 0.000 0.199 796 D C 1.509 177.785 176.300 -0.039 0.000 0.984 796 D CA 0.901 54.864 54.000 -0.061 0.000 0.834 796 D CB -0.569 40.233 40.800 0.003 0.000 0.955 796 D HN 0.485 nan 8.370 nan 0.000 0.465 797 F N 1.162 121.081 119.950 -0.051 0.000 2.102 797 F HA -0.191 4.338 4.527 0.004 0.000 0.298 797 F C 2.135 177.911 175.800 -0.040 0.000 1.105 797 F CA 0.872 58.862 58.000 -0.015 0.000 1.239 797 F CB -0.239 38.719 39.000 -0.070 0.000 0.991 797 F HN -0.093 nan 8.300 nan 0.000 0.474 798 L N 0.727 122.015 121.223 0.108 0.000 2.042 798 L HA -0.213 4.129 4.340 0.004 0.000 0.210 798 L C 2.151 178.929 176.870 -0.153 0.000 1.076 798 L CA 1.829 56.674 54.840 0.007 0.000 0.749 798 L CB -0.891 41.136 42.059 -0.052 0.000 0.893 798 L HN 0.293 nan 8.230 nan 0.000 0.432 799 I N -1.172 119.141 120.570 -0.427 0.000 2.142 799 I HA -0.331 3.841 4.170 0.004 0.000 0.240 799 I C 2.451 178.354 176.117 -0.358 0.000 1.078 799 I CA 1.290 62.178 61.300 -0.687 0.000 1.343 799 I CB -0.590 36.944 38.000 -0.777 0.000 1.046 799 I HN 0.370 nan 8.210 nan 0.000 0.405 800 H N -0.429 118.547 119.070 -0.157 0.000 2.423 800 H HA -0.172 4.386 4.556 0.004 0.000 0.297 800 H C 2.024 177.270 175.328 -0.137 0.000 1.075 800 H CA 1.403 57.361 56.048 -0.150 0.000 1.342 800 H CB -0.559 29.058 29.762 -0.240 0.000 1.395 800 H HN 0.306 nan 8.280 nan 0.000 0.530 801 F N 1.702 121.456 119.950 -0.327 0.000 2.095 801 F HA -0.202 4.327 4.527 0.004 0.000 0.298 801 F C 2.121 177.891 175.800 -0.051 0.000 1.104 801 F CA 1.003 58.830 58.000 -0.289 0.000 1.232 801 F CB -0.327 38.476 39.000 -0.328 0.000 0.987 801 F HN -0.056 nan 8.300 nan 0.000 0.475 802 I N 0.265 120.815 120.570 -0.033 0.000 2.233 802 I HA -0.205 3.968 4.170 0.004 0.000 0.243 802 I C 2.072 178.221 176.117 0.054 0.000 1.093 802 I CA 1.219 62.513 61.300 -0.010 0.000 1.380 802 I CB -1.569 36.585 38.000 0.257 0.000 1.067 802 I HN 0.108 nan 8.210 nan 0.000 0.413 803 D N 0.687 121.160 120.400 0.122 0.000 2.218 803 D HA -0.212 4.430 4.640 0.004 0.000 0.204 803 D C 2.012 178.359 176.300 0.078 0.000 0.976 803 D CA 0.851 54.936 54.000 0.143 0.000 0.853 803 D CB 0.023 40.939 40.800 0.194 0.000 0.939 803 D HN 0.281 nan 8.370 nan 0.000 0.481 804 E N 0.381 120.597 120.200 0.026 0.000 2.209 804 E HA -0.121 4.231 4.350 0.004 0.000 0.196 804 E C 1.898 178.491 176.600 -0.012 0.000 0.993 804 E CA 0.468 56.868 56.400 0.000 0.000 0.819 804 E CB -0.059 29.621 29.700 -0.032 0.000 0.745 804 E HN 0.056 nan 8.360 nan 0.000 0.477 805 V N -0.596 119.302 119.914 -0.026 0.000 2.323 805 V HA -0.084 4.038 4.120 0.004 0.000 0.244 805 V C 0.817 176.923 176.094 0.021 0.000 1.041 805 V CA 1.549 63.840 62.300 -0.015 0.000 1.025 805 V CB -0.244 31.565 31.823 -0.024 0.000 0.656 805 V HN 0.332 nan 8.190 nan 0.000 0.451 806 Q N -0.286 119.543 119.800 0.048 0.000 2.380 806 Q HA 0.236 4.578 4.340 0.004 0.000 0.245 806 Q C -1.209 174.845 176.000 0.091 0.000 0.893 806 Q CA -0.493 55.347 55.803 0.062 0.000 0.922 806 Q CB 1.166 29.940 28.738 0.061 0.000 1.432 806 Q HN 0.365 nan 8.270 nan 0.000 0.434 807 D N 2.660 123.114 120.400 0.090 0.000 2.533 807 D HA 0.348 4.990 4.640 0.004 0.000 0.236 807 D C 1.217 177.598 176.300 0.136 0.000 1.137 807 D CA 2.645 56.716 54.000 0.120 0.000 0.867 807 D CB 0.379 41.238 40.800 0.099 0.000 1.170 807 D HN 0.894 nan 8.370 nan 0.000 0.474 808 G N 2.709 111.623 108.800 0.190 0.000 2.213 808 G HA2 -0.319 3.643 3.960 0.004 0.000 0.236 808 G HA3 -0.319 3.643 3.960 0.004 0.000 0.236 808 G C 0.955 175.963 174.900 0.181 0.000 0.991 808 G CA 0.319 45.538 45.100 0.198 0.000 0.629 808 G HN 0.561 nan 8.290 nan 0.000 0.517 809 L N 0.357 121.686 121.223 0.176 0.000 2.141 809 L HA 0.331 4.673 4.340 0.004 0.000 0.209 809 L C 2.324 179.306 176.870 0.187 0.000 1.094 809 L CA 2.608 57.546 54.840 0.163 0.000 0.763 809 L CB -0.668 41.480 42.059 0.148 0.000 0.908 809 L HN 0.403 nan 8.230 nan 0.000 0.437 810 F N 0.850 120.880 119.950 0.133 0.000 2.069 810 F HA -0.337 4.192 4.527 0.003 0.000 0.298 810 F C 2.457 178.318 175.800 0.102 0.000 1.113 810 F CA 2.224 60.304 58.000 0.133 0.000 1.214 810 F CB -0.559 38.471 39.000 0.049 0.000 0.978 810 F HN 0.428 nan 8.300 nan 0.000 0.474 811 Q N 0.254 119.934 119.800 -0.199 0.000 2.170 811 Q HA -0.229 4.113 4.340 0.004 0.000 0.203 811 Q C 2.143 178.068 176.000 -0.125 0.000 0.976 811 Q CA 1.994 57.592 55.803 -0.341 0.000 0.858 811 Q CB -1.064 27.573 28.738 -0.168 0.000 0.907 811 Q HN 0.706 nan 8.270 nan 0.000 0.433 812 Q N 0.342 120.131 119.800 -0.019 0.000 2.046 812 Q HA -0.089 4.253 4.340 0.004 0.000 0.200 812 Q C 2.066 178.084 176.000 0.030 0.000 0.975 812 Q CA 1.539 57.353 55.803 0.018 0.000 0.836 812 Q CB -0.057 28.715 28.738 0.057 0.000 0.896 812 Q HN 0.578 nan 8.270 nan 0.000 0.428 813 I N -0.206 120.422 120.570 0.098 0.000 2.315 813 I HA -0.254 3.918 4.170 0.004 0.000 0.248 813 I C 2.182 178.385 176.117 0.143 0.000 1.117 813 I CA 0.738 62.179 61.300 0.236 0.000 1.404 813 I CB -0.427 37.774 38.000 0.336 0.000 1.071 813 I HN 0.526 nan 8.210 nan 0.000 0.419 814 W N 1.818 122.990 121.300 -0.213 0.000 2.355 814 W HA -0.141 4.521 4.660 0.004 0.000 0.309 814 W C 2.140 178.585 176.519 -0.122 0.000 1.206 814 W CA 1.890 59.095 57.345 -0.233 0.000 1.284 814 W CB -0.336 28.774 29.460 -0.582 0.000 1.145 814 W HN 0.154 nan 8.180 nan 0.000 0.502 815 G N -0.140 108.691 108.800 0.052 0.000 2.511 815 G HA2 -0.273 3.689 3.960 0.004 0.000 0.217 815 G HA3 -0.273 3.689 3.960 0.004 0.000 0.217 815 G C 1.397 176.225 174.900 -0.120 0.000 1.133 815 G CA 0.903 45.998 45.100 -0.009 0.000 0.792 815 G HN 0.319 nan 8.290 nan 0.000 0.539 816 N N -0.845 117.742 118.700 -0.187 0.000 2.439 816 N HA 0.103 4.845 4.740 0.004 0.000 0.176 816 N C 1.445 176.653 175.510 -0.503 0.000 1.029 816 N CA 0.304 53.120 53.050 -0.389 0.000 0.886 816 N CB 0.180 38.332 38.487 -0.559 0.000 1.057 816 N HN 0.325 nan 8.380 nan 0.000 0.437 817 F N 0.493 120.367 119.950 -0.126 0.000 2.490 817 F HA 0.271 4.800 4.527 0.003 0.000 0.280 817 F C 2.217 177.862 175.800 -0.257 0.000 1.030 817 F CA -0.327 57.576 58.000 -0.161 0.000 1.367 817 F CB 0.022 38.937 39.000 -0.143 0.000 1.131 817 F HN -0.120 nan 8.300 nan 0.000 0.632 818 I N 1.703 122.164 120.570 -0.183 0.000 2.133 818 I HA -0.233 3.939 4.170 0.004 0.000 0.238 818 I C 2.491 178.325 176.117 -0.471 0.000 1.074 818 I CA 1.746 62.783 61.300 -0.438 0.000 1.342 818 I CB -1.397 36.138 38.000 -0.775 0.000 1.053 818 I HN 0.212 nan 8.210 nan 0.000 0.404 819 I N -0.353 119.893 120.570 -0.541 0.000 2.546 819 I HA -0.168 4.004 4.170 0.004 0.000 0.255 819 I C 2.449 178.450 176.117 -0.194 0.000 1.163 819 I CA 1.665 62.749 61.300 -0.359 0.000 1.457 819 I CB -0.952 36.888 38.000 -0.268 0.000 1.092 819 I HN 0.239 nan 8.210 nan 0.000 0.434 820 T N -2.213 112.240 114.554 -0.168 0.000 2.942 820 T HA -0.009 4.344 4.350 0.004 0.000 0.265 820 T C 1.710 176.359 174.700 -0.084 0.000 1.062 820 T CA 1.524 63.559 62.100 -0.108 0.000 1.139 820 T CB -0.668 68.136 68.868 -0.107 0.000 0.883 820 T HN 0.353 nan 8.240 nan 0.000 0.468 821 T N 1.950 116.449 114.554 -0.092 0.000 2.976 821 T HA 0.201 4.554 4.350 0.004 0.000 0.257 821 T C 1.733 176.384 174.700 -0.082 0.000 1.051 821 T CA 0.607 62.666 62.100 -0.067 0.000 1.141 821 T CB -0.414 68.420 68.868 -0.057 0.000 0.881 821 T HN 0.209 nan 8.240 nan 0.000 0.461 822 L N 3.176 124.330 121.223 -0.115 0.000 2.034 822 L HA -0.101 4.242 4.340 0.004 0.000 0.217 822 L C -0.774 176.058 176.870 -0.063 0.000 1.077 822 L CA 2.149 56.930 54.840 -0.098 0.000 0.769 822 L CB -1.260 40.727 42.059 -0.120 0.000 0.890 822 L HN 0.163 nan 8.230 nan 0.000 0.435 823 P HA -0.100 nan 4.420 nan 0.000 0.226 823 P C 1.170 178.447 177.300 -0.038 0.000 1.153 823 P CA 1.757 64.834 63.100 -0.040 0.000 0.777 823 P CB -0.419 31.259 31.700 -0.035 0.000 0.794 824 T N -3.623 110.906 114.554 -0.041 0.000 3.107 824 T HA 0.160 4.512 4.350 0.004 0.000 0.249 824 T C 0.902 175.576 174.700 -0.044 0.000 1.096 824 T CA -0.207 61.870 62.100 -0.039 0.000 1.012 824 T CB -0.777 68.071 68.868 -0.033 0.000 0.977 824 T HN -0.044 nan 8.240 nan 0.000 0.527 825 I N 2.454 122.998 120.570 -0.043 0.000 2.494 825 I HA 0.284 4.456 4.170 0.004 0.000 0.289 825 I C 1.688 177.771 176.117 -0.058 0.000 1.106 825 I CA -0.255 61.020 61.300 -0.042 0.000 1.369 825 I CB 0.899 38.884 38.000 -0.026 0.000 1.410 825 I HN 0.312 nan 8.210 nan 0.000 0.523 826 G N 5.836 114.579 108.800 -0.094 0.000 2.459 826 G HA2 -0.137 3.825 3.960 0.004 0.000 0.213 826 G HA3 -0.137 3.825 3.960 0.004 0.000 0.213 826 G C 0.843 175.680 174.900 -0.106 0.000 1.155 826 G CA -0.186 44.853 45.100 -0.102 0.000 0.811 826 G HN 0.660 nan 8.290 nan 0.000 0.534 827 N N 1.184 119.797 118.700 -0.145 0.000 2.411 827 N HA 0.033 4.775 4.740 0.004 0.000 0.261 827 N C 1.504 176.990 175.510 -0.039 0.000 1.248 827 N CA -0.099 52.891 53.050 -0.101 0.000 0.885 827 N CB 0.842 39.282 38.487 -0.078 0.000 1.062 827 N HN 0.093 nan 8.380 nan 0.000 0.471 828 L N 3.267 124.471 121.223 -0.032 0.000 2.046 828 L HA -0.217 4.125 4.340 0.004 0.000 0.208 828 L C 2.269 179.127 176.870 -0.021 0.000 1.077 828 L CA 0.891 55.716 54.840 -0.024 0.000 0.747 828 L CB -0.414 41.631 42.059 -0.022 0.000 0.896 828 L HN 0.549 nan 8.230 nan 0.000 0.432 829 L N -0.028 121.188 121.223 -0.011 0.000 2.056 829 L HA -0.169 4.173 4.340 0.004 0.000 0.207 829 L C 1.928 178.786 176.870 -0.021 0.000 1.078 829 L CA 1.873 56.699 54.840 -0.022 0.000 0.749 829 L CB -0.731 41.322 42.059 -0.010 0.000 0.901 829 L HN 0.143 nan 8.230 nan 0.000 0.433 830 D N -0.573 119.834 120.400 0.013 0.000 2.144 830 D HA -0.174 4.468 4.640 0.004 0.000 0.200 830 D C 2.278 178.575 176.300 -0.006 0.000 0.978 830 D CA 1.062 55.073 54.000 0.019 0.000 0.833 830 D CB -0.148 40.706 40.800 0.089 0.000 0.961 830 D HN 0.350 nan 8.370 nan 0.000 0.470 831 R N 0.917 121.410 120.500 -0.011 0.000 2.081 831 R HA -0.119 4.223 4.340 0.004 0.000 0.235 831 R C 2.071 178.356 176.300 -0.025 0.000 1.131 831 R CA 1.323 57.411 56.100 -0.020 0.000 0.960 831 R CB 0.045 30.331 30.300 -0.023 0.000 0.856 831 R HN 0.052 nan 8.270 nan 0.000 0.436 832 K N 0.478 120.857 120.400 -0.036 0.000 2.025 832 K HA -0.117 4.205 4.320 0.004 0.000 0.207 832 K C 2.043 178.605 176.600 -0.064 0.000 1.049 832 K CA 1.557 57.812 56.287 -0.053 0.000 0.933 832 K CB -0.108 32.346 32.500 -0.077 0.000 0.714 832 K HN 0.189 nan 8.250 nan 0.000 0.438 833 I N 1.197 121.728 120.570 -0.065 0.000 2.179 833 I HA -0.268 3.904 4.170 0.004 0.000 0.242 833 I C 2.578 178.676 176.117 -0.031 0.000 1.088 833 I CA 1.295 62.555 61.300 -0.067 0.000 1.357 833 I CB -0.423 37.538 38.000 -0.066 0.000 1.051 833 I HN 0.286 nan 8.210 nan 0.000 0.409 834 A N 0.715 123.524 122.820 -0.019 0.000 1.877 834 A HA -0.225 4.097 4.320 0.004 0.000 0.216 834 A C 2.254 179.840 177.584 0.005 0.000 1.186 834 A CA 1.672 53.705 52.037 -0.006 0.000 0.620 834 A CB -0.901 18.082 19.000 -0.028 0.000 0.822 834 A HN 0.382 nan 8.150 nan 0.000 0.443 835 L N -0.185 121.037 121.223 -0.001 0.000 2.017 835 L HA -0.123 4.219 4.340 0.004 0.000 0.208 835 L C 2.067 178.965 176.870 0.047 0.000 1.073 835 L CA 1.743 56.595 54.840 0.020 0.000 0.745 835 L CB -0.436 41.635 42.059 0.020 0.000 0.894 835 L HN 0.339 nan 8.230 nan 0.000 0.432 836 I N -0.139 120.450 120.570 0.031 0.000 2.315 836 I HA -0.113 4.059 4.170 0.004 0.000 0.248 836 I C 2.544 178.693 176.117 0.053 0.000 1.117 836 I CA 1.270 62.602 61.300 0.053 0.000 1.404 836 I CB -2.251 35.727 38.000 -0.037 0.000 1.071 836 I HN 0.390 nan 8.210 nan 0.000 0.419 837 G N 0.555 109.378 108.800 0.039 0.000 2.402 837 G HA2 -0.131 3.831 3.960 0.004 0.000 0.216 837 G HA3 -0.131 3.831 3.960 0.004 0.000 0.216 837 G C 1.849 176.823 174.900 0.123 0.000 1.162 837 G CA 0.748 45.885 45.100 0.061 0.000 0.777 837 G HN 0.263 nan 8.290 nan 0.000 0.539 838 V N 0.664 120.666 119.914 0.147 0.000 2.358 838 V HA -0.098 4.024 4.120 0.004 0.000 0.246 838 V C 2.663 178.855 176.094 0.165 0.000 1.047 838 V CA 1.546 63.993 62.300 0.245 0.000 1.035 838 V CB -0.333 31.563 31.823 0.121 0.000 0.658 838 V HN 0.359 nan 8.190 nan 0.000 0.452 839 L N 1.106 122.387 121.223 0.097 0.000 2.083 839 L HA -0.181 4.161 4.340 0.004 0.000 0.209 839 L C 2.132 178.991 176.870 -0.019 0.000 1.083 839 L CA 2.384 57.255 54.840 0.051 0.000 0.752 839 L CB -0.999 41.105 42.059 0.075 0.000 0.899 839 L HN 0.435 nan 8.230 nan 0.000 0.433 840 N N -1.191 117.510 118.700 0.003 0.000 2.205 840 N HA -0.219 4.523 4.740 0.004 0.000 0.186 840 N C 1.714 177.154 175.510 -0.116 0.000 1.015 840 N CA 1.653 54.680 53.050 -0.038 0.000 0.862 840 N CB -0.062 38.421 38.487 -0.006 0.000 0.986 840 N HN 0.283 nan 8.380 nan 0.000 0.429 841 M N -0.458 119.043 119.600 -0.166 0.000 2.175 841 M HA -0.065 4.417 4.480 0.004 0.000 0.264 841 M C 1.861 177.924 176.300 -0.395 0.000 1.063 841 M CA 0.827 55.870 55.300 -0.427 0.000 1.119 841 M CB -0.750 31.381 32.600 -0.782 0.000 1.377 841 M HN 0.066 nan 8.290 nan 0.000 0.415 842 V N 1.004 120.774 119.914 -0.240 0.000 2.346 842 V HA -0.172 3.951 4.120 0.004 0.000 0.244 842 V C 2.258 178.074 176.094 -0.463 0.000 1.037 842 V CA 1.583 63.794 62.300 -0.147 0.000 1.029 842 V CB -0.586 31.198 31.823 -0.066 0.000 0.663 842 V HN 0.535 nan 8.190 nan 0.000 0.454 843 I N -2.172 118.065 120.570 -0.555 0.000 3.728 843 I HA 0.235 4.408 4.170 0.004 0.000 0.307 843 I C 1.197 177.132 176.117 -0.305 0.000 1.276 843 I CA 0.988 61.780 61.300 -0.847 0.000 1.285 843 I CB -0.005 37.642 38.000 -0.587 0.000 1.038 843 I HN 0.293 nan 8.210 nan 0.000 0.445 844 N N 1.336 119.939 118.700 -0.162 0.000 2.466 844 N HA 0.299 5.041 4.740 0.004 0.000 0.272 844 N C -0.227 175.273 175.510 -0.016 0.000 1.455 844 N CA -0.114 52.912 53.050 -0.040 0.000 0.875 844 N CB 1.043 39.515 38.487 -0.025 0.000 1.372 844 N HN 0.311 nan 8.380 nan 0.000 0.492 845 G N 0.449 109.246 108.800 -0.005 0.000 4.040 845 G HA2 0.141 4.103 3.960 0.004 0.000 0.328 845 G HA3 0.141 4.103 3.960 0.004 0.000 0.328 845 G C 0.391 175.384 174.900 0.155 0.000 1.503 845 G CA -0.260 44.881 45.100 0.068 0.000 0.909 845 G HN 0.219 nan 8.290 nan 0.000 0.495 846 Q N 0.443 120.329 119.800 0.144 0.000 2.135 846 Q HA -0.144 4.199 4.340 0.004 0.000 0.204 846 Q C 1.796 177.891 176.000 0.158 0.000 0.981 846 Q CA 1.253 57.143 55.803 0.145 0.000 0.856 846 Q CB -0.027 28.787 28.738 0.127 0.000 0.902 846 Q HN 0.630 nan 8.270 nan 0.000 0.425 847 F N 0.347 120.325 119.950 0.046 0.000 2.102 847 F HA -0.225 4.304 4.527 0.003 0.000 0.298 847 F C 1.860 177.676 175.800 0.027 0.000 1.105 847 F CA 1.100 59.109 58.000 0.015 0.000 1.239 847 F CB -0.417 38.587 39.000 0.007 0.000 0.991 847 F HN 0.044 nan 8.300 nan 0.000 0.474 848 F N 1.368 121.267 119.950 -0.085 0.000 2.065 848 F HA -0.275 4.254 4.527 0.004 0.000 0.298 848 F C 2.494 178.249 175.800 -0.076 0.000 1.112 848 F CA 2.215 60.157 58.000 -0.097 0.000 1.212 848 F CB -0.821 38.121 39.000 -0.095 0.000 0.975 848 F HN 0.031 nan 8.300 nan 0.000 0.476 849 Q N -0.018 119.774 119.800 -0.014 0.000 2.050 849 Q HA -0.188 4.154 4.340 0.004 0.000 0.202 849 Q C 2.520 178.418 176.000 -0.171 0.000 0.980 849 Q CA 2.144 57.900 55.803 -0.079 0.000 0.840 849 Q CB -0.814 27.972 28.738 0.079 0.000 0.898 849 Q HN 0.598 nan 8.270 nan 0.000 0.424 850 S N 0.242 115.831 115.700 -0.184 0.000 2.406 850 S HA -0.085 4.387 4.470 0.004 0.000 0.228 850 S C 1.889 176.258 174.600 -0.385 0.000 1.020 850 S CA 1.029 59.099 58.200 -0.216 0.000 0.965 850 S CB -0.029 63.087 63.200 -0.140 0.000 0.798 850 S HN 0.227 nan 8.310 nan 0.000 0.488 851 K N 0.026 120.022 120.400 -0.674 0.000 2.186 851 K HA 0.082 4.404 4.320 0.004 0.000 0.202 851 K C -0.336 175.675 176.600 -0.981 0.000 1.052 851 K CA 0.561 56.272 56.287 -0.960 0.000 0.965 851 K CB 0.108 31.664 32.500 -1.574 0.000 0.746 851 K HN 0.558 nan 8.250 nan 0.000 0.457 852 Y N 0.633 120.660 120.300 -0.455 0.000 2.495 852 Y HA 0.263 4.815 4.550 0.004 0.000 0.362 852 Y C -1.996 173.668 175.900 -0.393 0.000 0.956 852 Y CA -2.064 55.794 58.100 -0.404 0.000 1.127 852 Y CB 1.124 39.283 38.460 -0.502 0.000 1.173 852 Y HN 0.109 nan 8.280 nan 0.000 0.639 853 P HA -0.189 nan 4.420 nan 0.000 0.218 853 P C 1.337 178.613 177.300 -0.040 0.000 1.148 853 P CA 1.770 64.810 63.100 -0.100 0.000 0.822 853 P CB 0.069 31.726 31.700 -0.072 0.000 0.784 854 T N -3.746 110.797 114.554 -0.020 0.000 3.160 854 T HA 0.117 4.469 4.350 0.004 0.000 0.257 854 T C 1.686 176.412 174.700 0.043 0.000 1.147 854 T CA 0.185 62.295 62.100 0.017 0.000 1.064 854 T CB -0.820 68.061 68.868 0.023 0.000 0.949 854 T HN 0.067 nan 8.240 nan 0.000 0.526 855 L N -0.425 120.813 121.223 0.024 0.000 2.513 855 L HA 0.385 4.727 4.340 0.004 0.000 0.222 855 L C 2.171 179.161 176.870 0.199 0.000 1.096 855 L CA 0.085 54.987 54.840 0.103 0.000 0.857 855 L CB -0.182 41.904 42.059 0.045 0.000 1.026 855 L HN 0.242 nan 8.230 nan 0.000 0.469 856 I N -0.681 119.973 120.570 0.140 0.000 2.226 856 I HA -0.285 3.887 4.170 0.004 0.000 0.245 856 I C 2.588 178.845 176.117 0.234 0.000 1.100 856 I CA 1.058 62.510 61.300 0.254 0.000 1.374 856 I CB -0.242 37.895 38.000 0.227 0.000 1.057 856 I HN 0.146 nan 8.210 nan 0.000 0.413 857 S N 0.627 116.419 115.700 0.153 0.000 2.351 857 S HA -0.201 4.271 4.470 0.004 0.000 0.220 857 S C 2.236 176.909 174.600 0.121 0.000 1.035 857 S CA 2.009 60.276 58.200 0.112 0.000 1.031 857 S CB -0.375 62.866 63.200 0.068 0.000 0.928 857 S HN 0.630 nan 8.310 nan 0.000 0.433 858 S N 0.795 116.570 115.700 0.125 0.000 2.419 858 S HA -0.095 4.377 4.470 0.004 0.000 0.233 858 S C 1.806 176.493 174.600 0.146 0.000 1.016 858 S CA 1.516 59.782 58.200 0.110 0.000 0.974 858 S CB -0.963 62.294 63.200 0.094 0.000 0.786 858 S HN 0.464 nan 8.310 nan 0.000 0.492 859 T N 2.525 117.230 114.554 0.252 0.000 2.812 859 T HA 0.115 4.467 4.350 0.004 0.000 0.264 859 T C 1.871 176.702 174.700 0.219 0.000 1.042 859 T CA 1.287 63.575 62.100 0.314 0.000 1.140 859 T CB -0.287 68.934 68.868 0.587 0.000 0.870 859 T HN 0.252 nan 8.240 nan 0.000 0.445 860 M N 1.731 121.460 119.600 0.215 0.000 2.159 860 M HA -0.016 4.466 4.480 0.004 0.000 0.263 860 M C 2.057 178.422 176.300 0.108 0.000 1.063 860 M CA 1.058 56.463 55.300 0.174 0.000 1.110 860 M CB -1.276 31.429 32.600 0.175 0.000 1.374 860 M HN 0.193 nan 8.290 nan 0.000 0.411 861 N N -0.015 118.737 118.700 0.086 0.000 2.120 861 N HA -0.128 4.615 4.740 0.004 0.000 0.188 861 N C 1.904 177.438 175.510 0.039 0.000 1.024 861 N CA 1.533 54.614 53.050 0.051 0.000 0.852 861 N CB -0.226 38.284 38.487 0.038 0.000 1.003 861 N HN 0.299 nan 8.380 nan 0.000 0.424 862 S N 0.690 116.414 115.700 0.040 0.000 2.368 862 S HA 0.043 4.515 4.470 0.004 0.000 0.224 862 S C 2.096 176.709 174.600 0.021 0.000 1.029 862 S CA 0.455 58.660 58.200 0.010 0.000 0.988 862 S CB -0.121 63.064 63.200 -0.025 0.000 0.838 862 S HN 0.196 nan 8.310 nan 0.000 0.462 863 I N 1.205 121.808 120.570 0.055 0.000 2.142 863 I HA -0.196 3.976 4.170 0.004 0.000 0.240 863 I C 2.198 178.347 176.117 0.053 0.000 1.078 863 I CA 1.457 62.794 61.300 0.063 0.000 1.343 863 I CB -0.416 37.644 38.000 0.100 0.000 1.046 863 I HN 0.333 nan 8.210 nan 0.000 0.405 864 I N 0.444 121.049 120.570 0.058 0.000 2.163 864 I HA -0.322 3.851 4.170 0.004 0.000 0.243 864 I C 2.651 178.785 176.117 0.029 0.000 1.085 864 I CA 1.585 62.913 61.300 0.047 0.000 1.347 864 I CB -0.482 37.545 38.000 0.044 0.000 1.044 864 I HN 0.308 nan 8.210 nan 0.000 0.408 865 E N 0.619 120.832 120.200 0.021 0.000 2.085 865 E HA -0.231 4.121 4.350 0.004 0.000 0.194 865 E C 2.073 178.676 176.600 0.006 0.000 0.994 865 E CA 2.050 58.455 56.400 0.009 0.000 0.801 865 E CB 0.049 29.749 29.700 0.001 0.000 0.743 865 E HN 0.431 nan 8.360 nan 0.000 0.453 866 T N 0.294 114.851 114.554 0.006 0.000 2.777 866 T HA -0.070 4.282 4.350 0.004 0.000 0.266 866 T C 1.797 176.503 174.700 0.010 0.000 1.040 866 T CA 1.232 63.332 62.100 0.001 0.000 1.141 866 T CB -0.185 68.682 68.868 -0.003 0.000 0.868 866 T HN 0.312 nan 8.240 nan 0.000 0.444 867 A N 1.551 124.385 122.820 0.023 0.000 2.067 867 A HA 0.006 4.329 4.320 0.004 0.000 0.217 867 A C 2.486 180.084 177.584 0.025 0.000 1.156 867 A CA 1.586 53.641 52.037 0.030 0.000 0.683 867 A CB -0.451 18.577 19.000 0.047 0.000 0.808 867 A HN 0.575 nan 8.150 nan 0.000 0.455 868 S N -0.055 115.656 115.700 0.019 0.000 2.441 868 S HA -0.012 4.460 4.470 0.004 0.000 0.224 868 S C 1.245 175.849 174.600 0.008 0.000 1.043 868 S CA 0.621 58.830 58.200 0.015 0.000 0.948 868 S CB -0.607 62.602 63.200 0.015 0.000 0.810 868 S HN 0.744 nan 8.310 nan 0.000 0.504 869 S N 1.290 116.992 115.700 0.003 0.000 3.965 869 S HA 0.377 4.849 4.470 0.004 0.000 0.195 869 S C 0.175 174.772 174.600 -0.005 0.000 1.449 869 S CA -0.692 57.506 58.200 -0.003 0.000 0.965 869 S CB -0.004 63.192 63.200 -0.006 0.000 1.459 869 S HN 0.456 nan 8.310 nan 0.000 0.476 870 Q N 0.331 120.130 119.800 -0.002 0.000 2.155 870 Q HA 0.282 4.624 4.340 0.004 0.000 0.220 870 Q C 0.871 176.867 176.000 -0.007 0.000 0.819 870 Q CA -0.125 55.676 55.803 -0.005 0.000 1.032 870 Q CB 0.676 29.414 28.738 0.001 0.000 1.151 870 Q HN 0.674 nan 8.270 nan 0.000 0.487 871 S N -0.339 115.356 115.700 -0.007 0.000 2.599 871 S HA 0.066 4.538 4.470 0.004 0.000 0.236 871 S C 1.383 175.975 174.600 -0.012 0.000 1.077 871 S CA -0.014 58.181 58.200 -0.008 0.000 0.906 871 S CB 0.391 63.588 63.200 -0.005 0.000 0.804 871 S HN 0.234 nan 8.310 nan 0.000 0.497 872 I N 2.943 123.506 120.570 -0.012 0.000 3.176 872 I HA 0.146 4.318 4.170 0.004 0.000 0.275 872 I C 2.152 178.257 176.117 -0.020 0.000 1.298 872 I CA 0.615 61.905 61.300 -0.015 0.000 1.445 872 I CB -0.655 37.337 38.000 -0.014 0.000 1.075 872 I HN 0.287 nan 8.210 nan 0.000 0.482 873 A N 0.575 123.383 122.820 -0.019 0.000 2.272 873 A HA -0.187 4.136 4.320 0.004 0.000 0.213 873 A C 1.665 179.230 177.584 -0.032 0.000 1.183 873 A CA 0.840 52.863 52.037 -0.024 0.000 0.719 873 A CB -0.977 18.010 19.000 -0.021 0.000 0.771 873 A HN 0.447 nan 8.150 nan 0.000 0.484 874 N N 1.043 119.725 118.700 -0.029 0.000 3.167 874 N HA 0.132 4.874 4.740 0.004 0.000 0.318 874 N C 0.400 175.886 175.510 -0.040 0.000 1.268 874 N CA 0.130 53.160 53.050 -0.034 0.000 1.197 874 N CB -0.578 37.892 38.487 -0.028 0.000 1.464 874 N HN 0.511 nan 8.380 nan 0.000 0.555 875 L N -0.136 121.059 121.223 -0.047 0.000 2.557 875 L HA 0.068 4.410 4.340 0.004 0.000 0.153 875 L C 1.915 178.746 176.870 -0.065 0.000 1.415 875 L CA -0.036 54.773 54.840 -0.052 0.000 2.707 875 L CB -0.355 41.671 42.059 -0.055 0.000 2.796 875 L HN 0.159 nan 8.230 nan 0.000 0.799 876 K N -0.629 119.720 120.400 -0.085 0.000 2.981 876 K HA -0.042 4.280 4.320 0.004 0.000 0.308 876 K C 0.565 177.094 176.600 -0.119 0.000 1.089 876 K CA 1.251 57.475 56.287 -0.105 0.000 1.362 876 K CB -0.027 32.390 32.500 -0.138 0.000 1.631 876 K HN 0.490 nan 8.250 nan 0.000 0.547 877 N N -1.247 117.349 118.700 -0.174 0.000 2.316 877 N HA -0.062 4.680 4.740 0.004 0.000 0.330 877 N C -1.793 173.586 175.510 -0.219 0.000 0.973 877 N CA 0.727 53.682 53.050 -0.158 0.000 0.895 877 N CB 0.278 38.708 38.487 -0.094 0.000 2.211 877 N HN 0.551 nan 8.380 nan 0.000 0.955 878 D N -2.110 118.114 120.400 -0.293 0.000 2.812 878 D HA 0.276 4.918 4.640 0.004 0.000 0.318 878 D C -0.943 175.040 176.300 -0.529 0.000 1.234 878 D CA -0.501 53.304 54.000 -0.326 0.000 0.989 878 D CB 0.190 40.927 40.800 -0.104 0.000 1.442 878 D HN 0.048 nan 8.370 nan 0.000 0.537 879 Y N 0.176 120.467 120.300 -0.015 0.000 2.751 879 Y HA 0.450 5.002 4.550 0.004 0.000 0.289 879 Y C 0.203 176.095 175.900 -0.014 0.000 1.110 879 Y CA -0.692 57.395 58.100 -0.022 0.000 1.251 879 Y CB 0.081 38.520 38.460 -0.035 0.000 1.178 879 Y HN 0.245 nan 8.280 nan 0.000 0.540 887 E N 0.968 121.175 120.200 0.012 0.000 2.239 887 E HA 0.473 4.825 4.350 0.004 0.000 0.261 887 E C -0.505 176.103 176.600 0.013 0.000 1.016 887 E CA -0.626 55.777 56.400 0.005 0.000 0.882 887 E CB 1.783 31.478 29.700 -0.008 0.000 1.190 887 E HN 0.191 nan 8.360 nan 0.000 0.415 888 I N 1.764 122.341 120.570 0.011 0.000 2.452 888 I HA 0.034 4.206 4.170 0.004 0.000 0.287 888 I C -0.098 176.033 176.117 0.024 0.000 1.079 888 I CA 0.027 61.340 61.300 0.023 0.000 1.387 888 I CB 0.782 38.794 38.000 0.020 0.000 1.404 888 I HN 0.280 nan 8.210 nan 0.000 0.522 889 S N 4.747 120.481 115.700 0.056 0.000 2.505 889 S HA 0.289 4.761 4.470 0.004 0.000 0.276 889 S C 0.300 174.952 174.600 0.087 0.000 1.274 889 S CA -0.630 57.618 58.200 0.081 0.000 1.053 889 S CB 0.672 64.016 63.200 0.241 0.000 0.919 889 S HN 0.760 nan 8.310 nan 0.000 0.490 890 T N 0.368 114.961 114.554 0.064 0.000 2.930 890 T HA 0.607 4.959 4.350 0.004 0.000 0.290 890 T C -0.302 174.481 174.700 0.139 0.000 1.052 890 T CA -0.876 61.286 62.100 0.103 0.000 1.017 890 T CB 0.602 69.516 68.868 0.076 0.000 1.137 890 T HN 0.304 nan 8.240 nan 0.000 0.511 891 F N 2.028 122.005 119.950 0.044 0.000 2.612 891 F HA 0.358 4.888 4.527 0.004 0.000 0.389 891 F C 1.566 177.392 175.800 0.044 0.000 1.055 891 F CA 1.248 59.277 58.000 0.048 0.000 1.232 891 F CB -0.561 38.455 39.000 0.028 0.000 1.044 891 F HN 1.212 nan 8.300 nan 0.000 0.560 892 G N 3.274 111.613 108.800 -0.767 0.000 2.143 892 G HA2 -0.321 3.641 3.960 0.004 0.000 0.248 892 G HA3 -0.321 3.641 3.960 0.004 0.000 0.248 892 G C 0.881 175.645 174.900 -0.226 0.000 0.991 892 G CA 0.680 45.442 45.100 -0.564 0.000 0.689 892 G HN 1.338 nan 8.290 nan 0.000 0.522 893 S N -0.625 114.982 115.700 -0.155 0.000 2.593 893 S HA 0.236 4.708 4.470 0.004 0.000 0.217 893 S C 0.619 175.058 174.600 -0.269 0.000 0.966 893 S CA -0.074 58.019 58.200 -0.179 0.000 0.914 893 S CB 0.090 63.171 63.200 -0.198 0.000 0.776 893 S HN 0.595 nan 8.310 nan 0.000 0.523 894 H N 0.615 119.650 119.070 -0.059 0.000 2.459 894 H HA 0.460 5.018 4.556 0.003 0.000 0.332 894 H C -1.502 173.817 175.328 -0.015 0.000 1.094 894 H CA -0.652 55.380 56.048 -0.026 0.000 1.224 894 H CB 1.269 30.999 29.762 -0.053 0.000 1.449 894 H HN 0.355 nan 8.280 nan 0.000 0.484 895 F N 1.825 121.759 119.950 -0.026 0.000 2.469 895 F HA 0.390 4.919 4.527 0.003 0.000 0.332 895 F C -0.687 175.058 175.800 -0.092 0.000 1.103 895 F CA -0.542 57.388 58.000 -0.116 0.000 0.979 895 F CB 1.558 40.493 39.000 -0.108 0.000 1.137 895 F HN 0.206 nan 8.300 nan 0.000 0.463 896 S N 5.980 121.037 115.700 -1.073 0.000 2.659 896 S HA 0.290 4.762 4.470 0.004 0.000 0.312 896 S C -0.797 173.222 174.600 -0.967 0.000 1.114 896 S CA -0.880 56.850 58.200 -0.783 0.000 1.063 896 S CB 1.104 64.139 63.200 -0.276 0.000 0.996 896 S HN 0.695 nan 8.310 nan 0.000 0.478 897 K N 3.704 123.666 120.400 -0.731 0.000 2.350 897 K HA 0.249 4.571 4.320 0.004 0.000 0.279 897 K C -0.851 175.713 176.600 -0.061 0.000 1.027 897 K CA -0.233 55.843 56.287 -0.351 0.000 0.969 897 K CB 0.318 32.775 32.500 -0.072 0.000 0.954 897 K HN 0.569 nan 8.250 nan 0.000 0.474 898 L N 6.523 127.706 121.223 -0.067 0.000 2.268 898 L HA 0.079 4.421 4.340 0.004 0.000 0.289 898 L C 1.548 178.371 176.870 -0.079 0.000 1.064 898 L CA -0.665 54.097 54.840 -0.131 0.000 0.824 898 L CB 1.202 43.148 42.059 -0.188 0.000 1.202 898 L HN 0.675 nan 8.230 nan 0.000 0.433 899 V N -0.059 119.836 119.914 -0.031 0.000 2.594 899 V HA -0.196 3.926 4.120 0.004 0.000 0.253 899 V C 2.175 178.297 176.094 0.048 0.000 1.069 899 V CA 1.807 64.136 62.300 0.049 0.000 1.082 899 V CB -0.494 31.413 31.823 0.141 0.000 0.680 899 V HN 0.919 nan 8.190 nan 0.000 0.469 900 S N 2.226 117.915 115.700 -0.019 0.000 2.447 900 S HA 0.005 4.477 4.470 0.004 0.000 0.233 900 S C 1.468 175.939 174.600 -0.215 0.000 1.006 900 S CA 1.393 59.586 58.200 -0.010 0.000 0.957 900 S CB -0.822 62.363 63.200 -0.025 0.000 0.773 900 S HN 1.003 nan 8.310 nan 0.000 0.507 901 I N 0.066 120.475 120.570 -0.269 0.000 3.426 901 I HA 0.394 4.566 4.170 0.004 0.000 0.329 901 I C -0.087 175.985 176.117 -0.076 0.000 1.553 901 I CA -0.826 60.222 61.300 -0.420 0.000 1.019 901 I CB 0.366 37.888 38.000 -0.796 0.000 1.376 901 I HN 0.156 nan 8.210 nan 0.000 0.525 902 S N 1.328 117.028 115.700 0.000 0.000 2.562 902 S HA 0.247 4.719 4.470 0.004 0.000 0.281 902 S C 0.125 174.795 174.600 0.117 0.000 1.333 902 S CA -0.441 57.803 58.200 0.073 0.000 1.052 902 S CB 0.568 63.816 63.200 0.081 0.000 0.884 902 S HN 0.574 nan 8.310 nan 0.000 0.506 903 E N 2.285 122.564 120.200 0.131 0.000 2.227 903 E HA 0.342 4.694 4.350 0.004 0.000 0.282 903 E C -0.638 176.039 176.600 0.129 0.000 1.015 903 E CA -0.985 55.499 56.400 0.141 0.000 0.823 903 E CB 0.861 30.643 29.700 0.136 0.000 1.081 903 E HN 0.541 nan 8.360 nan 0.000 0.396 904 K N 2.940 123.418 120.400 0.130 0.000 2.258 904 K HA 0.198 4.520 4.320 0.004 0.000 0.264 904 K C -1.826 174.859 176.600 0.141 0.000 1.007 904 K CA -1.449 54.912 56.287 0.122 0.000 0.941 904 K CB 0.124 32.692 32.500 0.114 0.000 0.966 904 K HN 0.526 nan 8.250 nan 0.000 0.480 905 P HA -0.006 nan 4.420 nan 0.000 0.276 905 P C -0.809 176.604 177.300 0.188 0.000 1.230 905 P CA -0.284 62.904 63.100 0.147 0.000 0.776 905 P CB 0.344 32.106 31.700 0.103 0.000 0.888 906 F N 3.520 123.510 119.950 0.067 0.000 2.494 906 F HA 0.156 4.686 4.527 0.004 0.000 0.369 906 F C 0.015 175.835 175.800 0.034 0.000 1.098 906 F CA -0.640 57.394 58.000 0.056 0.000 1.154 906 F CB -0.242 38.804 39.000 0.077 0.000 1.103 906 F HN 0.172 nan 8.300 nan 0.000 0.549 907 D N 9.102 129.263 120.400 -0.399 0.000 2.392 907 D HA 0.297 4.939 4.640 0.004 0.000 0.228 907 D C -1.881 173.978 176.300 -0.735 0.000 1.074 907 D CA -2.373 51.334 54.000 -0.489 0.000 0.838 907 D CB 1.751 42.425 40.800 -0.210 0.000 1.067 907 D HN 0.325 nan 8.370 nan 0.000 0.511 908 P HA 0.055 nan 4.420 nan 0.000 0.241 908 P C 0.280 177.403 177.300 -0.295 0.000 1.191 908 P CA 0.257 62.985 63.100 -0.620 0.000 0.771 908 P CB 0.491 31.887 31.700 -0.508 0.000 0.929 909 L N 1.494 122.553 121.223 -0.273 0.000 2.783 909 L HA 0.311 4.653 4.340 0.004 0.000 0.265 909 L C -1.392 175.372 176.870 -0.176 0.000 1.398 909 L CA -1.432 53.280 54.840 -0.214 0.000 0.802 909 L CB 1.349 43.260 42.059 -0.248 0.000 1.126 909 L HN -0.202 nan 8.230 nan 0.000 0.529 910 P HA -0.199 nan 4.420 nan 0.000 0.219 910 P C 0.779 178.036 177.300 -0.072 0.000 1.146 910 P CA 1.330 64.376 63.100 -0.089 0.000 0.808 910 P CB 0.416 32.082 31.700 -0.057 0.000 0.779 911 E N -0.751 119.403 120.200 -0.077 0.000 2.516 911 E HA -0.012 4.341 4.350 0.004 0.000 0.199 911 E C 0.090 176.650 176.600 -0.066 0.000 1.069 911 E CA 0.305 56.673 56.400 -0.053 0.000 0.876 911 E CB -0.210 29.469 29.700 -0.034 0.000 0.843 911 E HN 0.335 nan 8.360 nan 0.000 0.530 912 I N 2.419 122.921 120.570 -0.114 0.000 2.420 912 I HA 0.010 4.182 4.170 0.004 0.000 0.282 912 I C -0.185 175.882 176.117 -0.084 0.000 1.019 912 I CA -0.973 60.257 61.300 -0.118 0.000 1.130 912 I CB 1.254 39.101 38.000 -0.256 0.000 1.262 912 I HN -0.105 nan 8.210 nan 0.000 0.454 913 D N 6.209 126.583 120.400 -0.043 0.000 2.382 913 D HA 0.026 4.668 4.640 0.004 0.000 0.245 913 D C 0.929 177.210 176.300 -0.032 0.000 1.120 913 D CA -0.260 53.721 54.000 -0.032 0.000 0.890 913 D CB 2.044 42.836 40.800 -0.014 0.000 1.201 913 D HN 0.262 nan 8.370 nan 0.000 0.433 914 V N 2.367 122.262 119.914 -0.033 0.000 3.141 914 V HA -0.192 3.930 4.120 0.004 0.000 0.265 914 V C 1.991 178.076 176.094 -0.015 0.000 1.126 914 V CA 0.811 63.094 62.300 -0.029 0.000 1.141 914 V CB -0.861 30.945 31.823 -0.030 0.000 0.743 914 V HN 0.544 nan 8.190 nan 0.000 0.492 915 N N 1.260 119.953 118.700 -0.010 0.000 2.062 915 N HA -0.089 4.653 4.740 0.004 0.000 0.191 915 N C 1.317 176.828 175.510 0.002 0.000 1.042 915 N CA 1.575 54.622 53.050 -0.004 0.000 0.845 915 N CB -0.130 38.355 38.487 -0.003 0.000 1.024 915 N HN 0.500 nan 8.380 nan 0.000 0.424 916 N N -1.498 117.206 118.700 0.007 0.000 2.028 916 N HA 0.072 4.814 4.740 0.004 0.000 0.230 916 N C 1.491 177.017 175.510 0.028 0.000 1.354 916 N CA 0.290 53.350 53.050 0.016 0.000 0.855 916 N CB 0.213 38.709 38.487 0.015 0.000 1.111 916 N HN 0.142 nan 8.380 nan 0.000 0.480 917 G N 1.325 110.140 108.800 0.025 0.000 2.462 917 G HA2 -0.143 3.819 3.960 0.004 0.000 0.220 917 G HA3 -0.143 3.819 3.960 0.004 0.000 0.220 917 G C 1.534 176.478 174.900 0.075 0.000 1.121 917 G CA 0.941 46.068 45.100 0.044 0.000 0.758 917 G HN 0.113 nan 8.290 nan 0.000 0.559 918 V N 0.544 120.485 119.914 0.046 0.000 2.261 918 V HA -0.172 3.950 4.120 0.004 0.000 0.246 918 V C 2.750 178.914 176.094 0.116 0.000 1.047 918 V CA 2.182 64.522 62.300 0.067 0.000 1.015 918 V CB -0.524 31.312 31.823 0.022 0.000 0.642 918 V HN 0.416 nan 8.190 nan 0.000 0.446 919 R N -0.182 120.362 120.500 0.074 0.000 2.091 919 R HA -0.144 4.198 4.340 0.004 0.000 0.238 919 R C 2.275 178.621 176.300 0.077 0.000 1.136 919 R CA 1.662 57.803 56.100 0.067 0.000 0.959 919 R CB -0.288 30.037 30.300 0.043 0.000 0.856 919 R HN 0.454 nan 8.270 nan 0.000 0.437 920 L N -0.643 120.628 121.223 0.080 0.000 2.056 920 L HA -0.203 4.139 4.340 0.004 0.000 0.207 920 L C 2.379 179.301 176.870 0.085 0.000 1.078 920 L CA 1.398 56.280 54.840 0.071 0.000 0.749 920 L CB -0.737 41.362 42.059 0.067 0.000 0.901 920 L HN 0.281 nan 8.230 nan 0.000 0.433 921 Y N 0.614 120.921 120.300 0.012 0.000 2.128 921 Y HA -0.265 4.286 4.550 0.003 0.000 0.284 921 Y C 2.471 178.382 175.900 0.019 0.000 1.154 921 Y CA 1.772 59.879 58.100 0.012 0.000 1.149 921 Y CB -0.332 38.130 38.460 0.004 0.000 0.976 921 Y HN -0.180 nan 8.280 nan 0.000 0.505 922 V N 0.347 120.331 119.914 0.118 0.000 2.287 922 V HA -0.362 3.760 4.120 0.004 0.000 0.248 922 V C 2.667 178.749 176.094 -0.020 0.000 1.053 922 V CA 1.897 64.225 62.300 0.046 0.000 1.027 922 V CB -1.584 30.300 31.823 0.102 0.000 0.646 922 V HN 0.588 nan 8.190 nan 0.000 0.447 923 A N -0.409 122.414 122.820 0.004 0.000 1.908 923 A HA -0.266 4.056 4.320 0.004 0.000 0.218 923 A C 2.159 179.728 177.584 -0.025 0.000 1.181 923 A CA 2.043 54.085 52.037 0.007 0.000 0.627 923 A CB -0.477 18.535 19.000 0.019 0.000 0.818 923 A HN 0.656 nan 8.150 nan 0.000 0.445 924 E N -0.393 119.760 120.200 -0.079 0.000 2.107 924 E HA -0.033 4.320 4.350 0.004 0.000 0.191 924 E C 2.287 178.798 176.600 -0.149 0.000 0.982 924 E CA 0.790 57.126 56.400 -0.106 0.000 0.809 924 E CB -0.253 29.367 29.700 -0.133 0.000 0.756 924 E HN 0.625 nan 8.360 nan 0.000 0.459 925 A N 1.214 123.878 122.820 -0.261 0.000 1.898 925 A HA -0.112 4.210 4.320 0.004 0.000 0.216 925 A C 2.174 179.723 177.584 -0.058 0.000 1.181 925 A CA 0.874 52.768 52.037 -0.238 0.000 0.620 925 A CB -0.510 18.269 19.000 -0.370 0.000 0.819 925 A HN 0.114 nan 8.150 nan 0.000 0.442 926 L N -0.535 120.684 121.223 -0.007 0.000 2.093 926 L HA -0.174 4.168 4.340 0.004 0.000 0.208 926 L C 2.504 179.462 176.870 0.147 0.000 1.085 926 L CA 1.591 56.498 54.840 0.112 0.000 0.755 926 L CB -0.547 41.602 42.059 0.149 0.000 0.904 926 L HN 0.530 nan 8.230 nan 0.000 0.435 927 N N 0.604 119.349 118.700 0.075 0.000 2.142 927 N HA -0.241 4.502 4.740 0.004 0.000 0.186 927 N C 1.823 177.366 175.510 0.055 0.000 1.023 927 N CA 1.428 54.519 53.050 0.067 0.000 0.852 927 N CB 0.010 38.515 38.487 0.030 0.000 0.998 927 N HN 0.139 nan 8.380 nan 0.000 0.424 928 K N -1.153 119.265 120.400 0.030 0.000 2.026 928 K HA -0.219 4.104 4.320 0.004 0.000 0.208 928 K C 2.035 178.655 176.600 0.033 0.000 1.048 928 K CA 1.195 57.493 56.287 0.018 0.000 0.929 928 K CB -0.448 32.049 32.500 -0.005 0.000 0.713 928 K HN 0.265 nan 8.250 nan 0.000 0.439 929 Y N 1.919 122.180 120.300 -0.066 0.000 2.128 929 Y HA -0.281 4.271 4.550 0.003 0.000 0.284 929 Y C 2.107 177.974 175.900 -0.056 0.000 1.154 929 Y CA 2.252 60.284 58.100 -0.114 0.000 1.149 929 Y CB -0.719 37.593 38.460 -0.247 0.000 0.976 929 Y HN 0.300 nan 8.280 nan 0.000 0.505 930 N N 0.183 118.914 118.700 0.052 0.000 2.069 930 N HA -0.215 4.527 4.740 0.004 0.000 0.191 930 N C 1.902 177.398 175.510 -0.023 0.000 1.031 930 N CA 1.960 55.071 53.050 0.101 0.000 0.852 930 N CB -0.631 37.995 38.487 0.231 0.000 1.018 930 N HN 0.440 nan 8.380 nan 0.000 0.423 931 A N 0.587 123.396 122.820 -0.017 0.000 1.902 931 A HA -0.086 4.236 4.320 0.004 0.000 0.217 931 A C 2.087 179.628 177.584 -0.071 0.000 1.181 931 A CA 1.254 53.273 52.037 -0.030 0.000 0.623 931 A CB -0.687 18.305 19.000 -0.013 0.000 0.818 931 A HN 0.372 nan 8.150 nan 0.000 0.443 932 I N 1.000 121.499 120.570 -0.118 0.000 2.493 932 I HA -0.137 4.035 4.170 0.004 0.000 0.254 932 I C 2.329 178.336 176.117 -0.184 0.000 1.160 932 I CA 1.875 63.091 61.300 -0.139 0.000 1.445 932 I CB -1.256 36.655 38.000 -0.149 0.000 1.086 932 I HN 0.508 nan 8.210 nan 0.000 0.433 933 S N 0.528 116.071 115.700 -0.261 0.000 2.701 933 S HA 0.197 4.669 4.470 0.004 0.000 0.220 933 S C 1.461 176.007 174.600 -0.091 0.000 0.954 933 S CA 0.292 58.360 58.200 -0.220 0.000 0.936 933 S CB -0.607 62.420 63.200 -0.288 0.000 0.777 933 S HN 0.599 nan 8.310 nan 0.000 0.518 934 G N 1.923 110.682 108.800 -0.068 0.000 2.295 934 G HA2 -0.360 3.602 3.960 0.004 0.000 0.287 934 G HA3 -0.360 3.602 3.960 0.004 0.000 0.287 934 G C 0.185 175.076 174.900 -0.015 0.000 1.055 934 G CA 0.152 45.232 45.100 -0.033 0.000 0.922 934 G HN 1.102 nan 8.290 nan 0.000 0.503 935 N N -1.433 117.262 118.700 -0.009 0.000 2.714 935 N HA -0.218 4.524 4.740 0.004 0.000 0.252 935 N C 1.358 176.883 175.510 0.025 0.000 1.014 935 N CA 2.853 55.912 53.050 0.015 0.000 0.735 935 N CB -0.948 37.545 38.487 0.010 0.000 0.924 935 N HN 1.370 nan 8.380 nan 0.000 0.540 936 T N -4.823 109.756 114.554 0.042 0.000 2.964 936 T HA 0.099 4.451 4.350 0.004 0.000 0.250 936 T C 1.327 176.080 174.700 0.089 0.000 0.982 936 T CA 0.290 62.418 62.100 0.047 0.000 0.959 936 T CB -0.492 68.397 68.868 0.036 0.000 1.141 936 T HN 0.174 nan 8.240 nan 0.000 0.494 937 F N 2.985 122.930 119.950 -0.009 0.000 2.026 937 F HA 0.121 4.649 4.527 0.003 0.000 0.296 937 F C 1.878 177.722 175.800 0.073 0.000 1.133 937 F CA 1.330 59.363 58.000 0.056 0.000 1.188 937 F CB -0.715 38.346 39.000 0.102 0.000 0.968 937 F HN 0.068 nan 8.300 nan 0.000 0.476 938 L N 0.317 121.459 121.223 -0.135 0.000 2.012 938 L HA -0.305 4.037 4.340 0.004 0.000 0.210 938 L C 2.338 179.090 176.870 -0.196 0.000 1.073 938 L CA 1.610 56.301 54.840 -0.248 0.000 0.748 938 L CB -1.007 41.042 42.059 -0.017 0.000 0.891 938 L HN 0.251 nan 8.230 nan 0.000 0.431 939 N N -0.590 118.053 118.700 -0.095 0.000 2.166 939 N HA -0.141 4.601 4.740 0.004 0.000 0.186 939 N C 1.823 177.281 175.510 -0.088 0.000 1.019 939 N CA 1.882 54.891 53.050 -0.069 0.000 0.856 939 N CB -0.538 37.930 38.487 -0.031 0.000 0.993 939 N HN 0.328 nan 8.380 nan 0.000 0.426 940 T N 1.124 115.616 114.554 -0.103 0.000 2.812 940 T HA -0.027 4.326 4.350 0.004 0.000 0.264 940 T C 1.937 176.562 174.700 -0.127 0.000 1.042 940 T CA 0.453 62.502 62.100 -0.085 0.000 1.140 940 T CB -0.082 68.764 68.868 -0.036 0.000 0.870 940 T HN 0.082 nan 8.240 nan 0.000 0.445 941 I N 0.599 121.013 120.570 -0.261 0.000 2.584 941 I HA 0.142 4.314 4.170 0.004 0.000 0.255 941 I C 1.932 177.952 176.117 -0.161 0.000 1.145 941 I CA 0.550 61.703 61.300 -0.246 0.000 1.462 941 I CB -0.351 37.359 38.000 -0.482 0.000 1.102 941 I HN 0.173 nan 8.210 nan 0.000 0.433 942 L N 1.079 122.204 121.223 -0.163 0.000 1.997 942 L HA -0.216 4.127 4.340 0.004 0.000 0.216 942 L C -0.393 176.443 176.870 -0.057 0.000 1.074 942 L CA 1.972 56.756 54.840 -0.094 0.000 0.763 942 L CB -1.817 40.195 42.059 -0.078 0.000 0.890 942 L HN 0.210 nan 8.230 nan 0.000 0.434 943 P HA -0.156 nan 4.420 nan 0.000 0.225 943 P C 1.062 178.348 177.300 -0.024 0.000 1.148 943 P CA 1.125 64.206 63.100 -0.031 0.000 0.779 943 P CB 0.022 31.705 31.700 -0.028 0.000 0.780 944 Q N -1.297 118.485 119.800 -0.029 0.000 2.424 944 Q HA 0.108 4.450 4.340 0.004 0.000 0.204 944 Q C 0.601 176.597 176.000 -0.006 0.000 0.933 944 Q CA 0.113 55.907 55.803 -0.014 0.000 0.929 944 Q CB -0.067 28.664 28.738 -0.011 0.000 1.037 944 Q HN 0.317 nan 8.270 nan 0.000 0.511 945 L N 0.869 122.084 121.223 -0.013 0.000 2.439 945 L HA 0.234 4.576 4.340 0.004 0.000 0.259 945 L C 0.914 177.783 176.870 -0.002 0.000 1.129 945 L CA -0.782 54.056 54.840 -0.003 0.000 0.803 945 L CB 0.464 42.518 42.059 -0.007 0.000 1.161 945 L HN 0.043 nan 8.230 nan 0.000 0.462 946 T N -2.274 112.281 114.554 0.002 0.000 2.856 946 T HA 0.055 4.407 4.350 0.004 0.000 0.306 946 T C 0.788 175.487 174.700 -0.003 0.000 1.062 946 T CA -0.319 61.780 62.100 -0.001 0.000 1.083 946 T CB 0.892 69.760 68.868 0.000 0.000 0.984 946 T HN 0.631 nan 8.240 nan 0.000 0.542 947 Q N 0.541 120.339 119.800 -0.004 0.000 2.077 947 Q HA -0.182 4.160 4.340 0.004 0.000 0.206 947 Q C 2.430 178.428 176.000 -0.003 0.000 0.989 947 Q CA 2.167 57.968 55.803 -0.005 0.000 0.853 947 Q CB -0.188 28.547 28.738 -0.005 0.000 0.907 947 Q HN 0.833 nan 8.270 nan 0.000 0.418 948 E N 0.161 120.360 120.200 -0.003 0.000 2.077 948 E HA -0.165 4.187 4.350 0.004 0.000 0.193 948 E C 1.763 178.364 176.600 0.001 0.000 0.989 948 E CA 0.883 57.282 56.400 -0.001 0.000 0.800 948 E CB 0.019 29.718 29.700 -0.002 0.000 0.746 948 E HN 0.328 nan 8.360 nan 0.000 0.452 949 N N 0.639 119.340 118.700 0.003 0.000 2.270 949 N HA -0.108 4.634 4.740 0.004 0.000 0.181 949 N C 1.668 177.181 175.510 0.005 0.000 1.016 949 N CA 0.708 53.763 53.050 0.007 0.000 0.870 949 N CB -0.050 38.444 38.487 0.011 0.000 0.979 949 N HN 0.246 nan 8.380 nan 0.000 0.431 950 Q N 0.234 120.033 119.800 -0.001 0.000 2.135 950 Q HA -0.062 4.280 4.340 0.004 0.000 0.204 950 Q C 1.923 177.922 176.000 -0.002 0.000 0.981 950 Q CA 0.996 56.795 55.803 -0.006 0.000 0.856 950 Q CB 0.136 28.868 28.738 -0.010 0.000 0.902 950 Q HN 0.147 nan 8.270 nan 0.000 0.425 951 V N 0.812 120.726 119.914 -0.000 0.000 2.346 951 V HA -0.224 3.898 4.120 0.004 0.000 0.244 951 V C 1.952 178.050 176.094 0.005 0.000 1.037 951 V CA 1.644 63.944 62.300 0.001 0.000 1.029 951 V CB -0.327 31.496 31.823 0.000 0.000 0.663 951 V HN 0.268 nan 8.190 nan 0.000 0.454 952 K N -0.199 120.205 120.400 0.007 0.000 2.103 952 K HA -0.204 4.118 4.320 0.004 0.000 0.207 952 K C 2.058 178.668 176.600 0.017 0.000 1.048 952 K CA 1.402 57.696 56.287 0.011 0.000 0.930 952 K CB -0.377 32.130 32.500 0.012 0.000 0.716 952 K HN 0.247 nan 8.250 nan 0.000 0.444 953 L N 1.758 122.991 121.223 0.017 0.000 2.141 953 L HA -0.131 4.211 4.340 0.004 0.000 0.209 953 L C 1.465 178.348 176.870 0.022 0.000 1.094 953 L CA 1.668 56.523 54.840 0.024 0.000 0.763 953 L CB -0.426 41.645 42.059 0.020 0.000 0.908 953 L HN 0.157 nan 8.230 nan 0.000 0.437 954 N N -0.522 118.186 118.700 0.014 0.000 2.135 954 N HA -0.155 4.587 4.740 0.004 0.000 0.186 954 N C 1.729 177.247 175.510 0.014 0.000 1.027 954 N CA 1.360 54.418 53.050 0.012 0.000 0.849 954 N CB -0.235 38.256 38.487 0.006 0.000 1.002 954 N HN 0.546 nan 8.380 nan 0.000 0.425 955 Q N 0.247 120.055 119.800 0.013 0.000 2.181 955 Q HA -0.103 4.239 4.340 0.004 0.000 0.205 955 Q C 1.815 177.825 176.000 0.017 0.000 0.980 955 Q CA 0.829 56.639 55.803 0.013 0.000 0.862 955 Q CB -0.066 28.678 28.738 0.011 0.000 0.905 955 Q HN 0.182 nan 8.270 nan 0.000 0.429 956 L N -0.069 121.167 121.223 0.021 0.000 2.131 956 L HA -0.043 4.300 4.340 0.004 0.000 0.206 956 L C 1.713 178.600 176.870 0.028 0.000 1.087 956 L CA 1.403 56.259 54.840 0.027 0.000 0.767 956 L CB 0.024 42.103 42.059 0.033 0.000 0.917 956 L HN 0.155 nan 8.230 nan 0.000 0.441 957 L N -1.769 119.471 121.223 0.029 0.000 2.375 957 L HA 0.085 4.427 4.340 0.004 0.000 0.215 957 L C 0.361 177.244 176.870 0.023 0.000 1.108 957 L CA -0.037 54.822 54.840 0.031 0.000 0.830 957 L CB 0.192 42.273 42.059 0.038 0.000 0.959 957 L HN -0.096 nan 8.230 nan 0.000 0.457 958 V N 0.354 120.279 119.914 0.019 0.000 2.454 958 V HA 0.667 4.789 4.120 0.004 0.000 0.255 958 V C 0.199 176.301 176.094 0.013 0.000 1.009 958 V CA -0.252 62.057 62.300 0.014 0.000 1.149 958 V CB 0.423 32.254 31.823 0.012 0.000 1.418 958 V HN 0.318 nan 8.190 nan 0.000 0.567 959 G N 0.000 108.808 108.800 0.014 0.000 5.446 959 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 959 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 959 G CA 0.000 nan 45.100 nan 0.000 0.502 959 G HN 0.000 nan 8.290 nan 0.000 0.925