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 1n6e_1_A DATA FIRST_RESID 39 DATA SEQUENCE MPNLLLNPDI HGDRIIFVCC DDLWEHDLKS GSTRKIVSNL GVINNARFFP DATA SEQUENCE DGRKIAIRVM RGSSLNTADL YFYNGENGEI KRITYFSGKS TGRRMFTDVA DATA SEQUENCE GFDPDGNLII STDAMQPFSS MTCLYRVEND GINFVPLNLG PATHILFADG DATA SEQUENCE RRVIGRNTFE LPHWKGYRGG TRGKIWIEVN SGAFKKIVDM STHVSSPVIV DATA SEQUENCE GHRIYFITDI DGFGQIYSTD LDGKDLRKHT SFTDYYPRHL NTDGRRILFS DATA SEQUENCE KGGSIYIFNP DTEKIEKIEI GDLESPEDRI ISIPSKFAED FSPLDGDLIA DATA SEQUENCE FVSRGQAFIQ DVSGTYVLKV PEPLRIRYVR RGGDTKVAFI HGTREGDFLG DATA SEQUENCE IYDYRTGKAE KFEENLGNVF AMGVDRNGKF AVVANDRFEI MTVDLETGKP DATA SEQUENCE TVIERSREAM ITDFTISDNS RFIAYGFPLK HGETDGYVMQ AIHVYDMEGR DATA SEQUENCE KIFAATTENS HDYAPAFDAD SKNLYYLSYR SLDPSPDRVV LNFSFEVVSK DATA SEQUENCE PFVIPLIPGS PNPTKLVPRS MTSEAGEYDL NDMYKRSSPI NVDPGDYRMI DATA SEQUENCE IPLESSILIY SVPVHGEFAA YYQGAPEKGV LLKYDVKTRK VTEVKNNLTD DATA SEQUENCE LRLSADRKTV MVRKDDGKIY TFPLEKPEDE RTVETDKRPL VSSIHEEFLQ DATA SEQUENCE MYDEAWKLAR DNYWNEAVAK EISERIYEKY RNLVPLCKTR YDLSNVIVEM DATA SEQUENCE QGEYRTSHSY EMGGTFTDKD PFRSGRIACD FKLDGDHYVV AKAYAGDYSN DATA SEQUENCE EGEKSPIFEY GIDPTGYLIE DIDGETVGAG SNIYRVLSEK AGTSARIRLS DATA SEQUENCE GKGGDKRDLM IDILDDDRFI RYRSWVEANR RYVHERSKGT IGYIHIPDMG DATA SEQUENCE MMGLNEFYRL FINESSYQGL IVDVRFNGGG FVSQLIIEKL MNKRIGYDNP DATA SEQUENCE RRGTLSPYPT NSVRGKIIAI TNEYAGSDGD IFSFSFKKLG LGKLIGTRTW DATA SEQUENCE GGVVGITPKR RLIDGTVLTQ PEFAFWFRDA GFGVENYGVD PDVEIEYAPH DATA SEQUENCE DYLSGKDPQI DYAIDALIEE LRN 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.265 176.300 -0.058 0.000 1.140 39 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 39 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 40 P HA 0.286 nan 4.420 nan 0.000 0.274 40 P C -0.975 176.271 177.300 -0.090 0.000 1.237 40 P CA -0.046 62.999 63.100 -0.091 0.000 0.793 40 P CB 0.795 32.435 31.700 -0.100 0.000 0.977 41 N N 0.067 118.695 118.700 -0.120 0.000 2.476 41 N HA 0.441 5.178 4.740 -0.006 0.000 0.276 41 N C -0.712 174.727 175.510 -0.119 0.000 1.204 41 N CA -0.620 52.366 53.050 -0.106 0.000 0.974 41 N CB 0.241 38.645 38.487 -0.137 0.000 1.204 41 N HN 0.311 nan 8.380 nan 0.000 0.543 42 L N 1.393 122.570 121.223 -0.078 0.000 2.265 42 L HA 0.437 4.774 4.340 -0.006 0.000 0.288 42 L C -1.316 175.508 176.870 -0.077 0.000 1.058 42 L CA -0.076 54.714 54.840 -0.083 0.000 0.809 42 L CB 0.006 42.035 42.059 -0.050 0.000 1.179 42 L HN 0.340 nan 8.230 nan 0.000 0.429 43 L N 6.385 127.529 121.223 -0.131 0.000 2.325 43 L HA 0.706 5.042 4.340 -0.006 0.000 0.278 43 L C -0.715 176.127 176.870 -0.046 0.000 1.023 43 L CA -0.867 53.897 54.840 -0.126 0.000 0.811 43 L CB 1.537 43.353 42.059 -0.404 0.000 1.249 43 L HN 0.563 nan 8.230 nan 0.000 0.431 44 L N -0.645 120.615 121.223 0.063 0.000 2.828 44 L HA 0.471 4.808 4.340 -0.006 0.000 0.264 44 L C -0.372 176.548 176.870 0.084 0.000 1.106 44 L CA -1.076 53.804 54.840 0.065 0.000 0.955 44 L CB 1.017 43.104 42.059 0.047 0.000 1.558 44 L HN 0.542 nan 8.230 nan 0.000 0.386 45 N N 0.124 118.796 118.700 -0.046 0.000 2.666 45 N HA -0.158 4.579 4.740 -0.006 0.000 0.274 45 N C -2.491 173.031 175.510 0.020 0.000 1.043 45 N CA 0.443 53.223 53.050 -0.449 0.000 0.782 45 N CB -1.126 37.008 38.487 -0.588 0.000 0.912 45 N HN 0.639 nan 8.380 nan 0.000 0.556 46 P HA 0.377 nan 4.420 nan 0.000 0.280 46 P C -0.646 176.919 177.300 0.442 0.000 1.272 46 P CA 0.075 63.399 63.100 0.374 0.000 0.819 46 P CB 1.561 33.439 31.700 0.297 0.000 1.122 47 D N -0.736 119.888 120.400 0.374 0.000 2.661 47 D HA 0.579 5.216 4.640 -0.006 0.000 0.228 47 D C -1.530 175.066 176.300 0.494 0.000 1.210 47 D CA -0.587 53.651 54.000 0.397 0.000 0.826 47 D CB 1.672 42.674 40.800 0.338 0.000 1.542 47 D HN 0.282 nan 8.370 nan 0.000 0.447 48 I N 1.309 122.180 120.570 0.501 0.000 2.828 48 I HA 0.585 4.751 4.170 -0.006 0.000 0.302 48 I C -1.823 174.450 176.117 0.260 0.000 1.101 48 I CA -0.790 60.758 61.300 0.413 0.000 1.031 48 I CB 2.052 40.193 38.000 0.235 0.000 1.231 48 I HN 0.564 nan 8.210 nan 0.000 0.427 49 H N 4.969 123.955 119.070 -0.139 0.000 3.221 49 H HA 0.486 5.039 4.556 -0.006 0.000 0.324 49 H C -0.026 175.151 175.328 -0.252 0.000 1.212 49 H CA 0.608 56.422 56.048 -0.390 0.000 1.624 49 H CB 0.790 29.916 29.762 -1.059 0.000 1.899 49 H HN 0.984 nan 8.280 nan 0.000 0.538 50 G N 3.702 112.325 108.800 -0.295 0.000 2.557 50 G HA2 -0.356 3.600 3.960 -0.006 0.000 0.292 50 G HA3 -0.356 3.600 3.960 -0.006 0.000 0.292 50 G C 0.547 175.423 174.900 -0.041 0.000 1.162 50 G CA 0.575 45.580 45.100 -0.159 0.000 0.964 50 G HN 0.579 nan 8.290 nan 0.000 0.541 51 D N 1.801 122.202 120.400 0.002 0.000 2.369 51 D HA 0.168 4.804 4.640 -0.006 0.000 0.211 51 D C 1.271 177.626 176.300 0.092 0.000 1.077 51 D CA 0.239 54.264 54.000 0.043 0.000 0.842 51 D CB 0.279 41.096 40.800 0.029 0.000 0.947 51 D HN 0.406 nan 8.370 nan 0.000 0.509 52 R N 0.638 121.197 120.500 0.098 0.000 2.428 52 R HA 0.649 4.986 4.340 -0.006 0.000 0.294 52 R C -0.087 176.395 176.300 0.303 0.000 1.000 52 R CA -0.366 55.846 56.100 0.186 0.000 0.960 52 R CB 1.992 32.395 30.300 0.172 0.000 1.076 52 R HN -0.106 nan 8.270 nan 0.000 0.475 53 I N 4.567 125.385 120.570 0.413 0.000 2.500 53 I HA 0.315 4.482 4.170 -0.006 0.000 0.286 53 I C -0.028 176.392 176.117 0.505 0.000 1.063 53 I CA -0.804 60.785 61.300 0.482 0.000 1.062 53 I CB 1.865 40.095 38.000 0.384 0.000 1.223 53 I HN 0.526 nan 8.210 nan 0.000 0.435 54 I N 4.118 124.943 120.570 0.426 0.000 2.428 54 I HA 0.757 4.924 4.170 -0.006 0.000 0.296 54 I C -0.913 175.352 176.117 0.246 0.000 0.985 54 I CA -0.337 61.062 61.300 0.164 0.000 1.260 54 I CB 1.411 39.327 38.000 -0.140 0.000 1.389 54 I HN 0.492 nan 8.210 nan 0.000 0.484 55 F N 3.199 123.239 119.950 0.150 0.000 2.745 55 F HA 0.813 5.336 4.527 -0.006 0.000 0.316 55 F C -1.559 174.335 175.800 0.155 0.000 1.155 55 F CA -1.246 56.825 58.000 0.118 0.000 0.937 55 F CB 0.925 39.964 39.000 0.066 0.000 1.361 55 F HN 0.214 nan 8.300 nan 0.000 0.472 56 V N 1.411 121.531 119.914 0.345 0.000 2.472 56 V HA 0.596 4.712 4.120 -0.006 0.000 0.290 56 V C -0.675 175.638 176.094 0.365 0.000 1.037 56 V CA -0.599 61.871 62.300 0.282 0.000 0.908 56 V CB 1.230 33.184 31.823 0.219 0.000 0.985 56 V HN 1.066 nan 8.190 nan 0.000 0.454 57 C N 4.836 124.352 119.300 0.359 0.000 2.642 57 C HA 0.522 4.979 4.460 -0.006 0.000 0.344 57 C C 0.574 175.780 174.990 0.361 0.000 1.110 57 C CA -0.525 58.627 59.018 0.223 0.000 1.298 57 C CB -0.315 27.299 27.740 -0.210 0.000 1.827 57 C HN 1.179 nan 8.230 nan 0.000 0.467 58 C N 5.946 125.400 119.300 0.257 0.000 4.300 58 C HA -0.097 4.359 4.460 -0.006 0.000 0.304 58 C C 0.709 175.846 174.990 0.246 0.000 1.367 58 C CA 1.447 60.619 59.018 0.255 0.000 2.032 58 C CB -2.742 25.157 27.740 0.265 0.000 1.285 58 C HN 1.153 nan 8.230 nan 0.000 0.737 59 D N -2.005 118.546 120.400 0.251 0.000 3.006 59 D HA -0.149 4.487 4.640 -0.006 0.000 0.208 59 D C -0.143 176.213 176.300 0.093 0.000 1.116 59 D CA 2.183 56.281 54.000 0.163 0.000 0.998 59 D CB -0.717 40.152 40.800 0.115 0.000 1.124 59 D HN 0.730 nan 8.370 nan 0.000 0.413 60 D N -0.100 120.389 120.400 0.148 0.000 2.268 60 D HA 0.427 5.064 4.640 -0.006 0.000 0.249 60 D C 0.456 176.783 176.300 0.045 0.000 1.008 60 D CA -0.573 53.440 54.000 0.021 0.000 0.939 60 D CB 1.262 42.022 40.800 -0.067 0.000 1.170 60 D HN -0.020 nan 8.370 nan 0.000 0.468 61 L N 1.710 122.831 121.223 -0.170 0.000 2.276 61 L HA 0.323 4.659 4.340 -0.006 0.000 0.286 61 L C -1.167 175.475 176.870 -0.380 0.000 1.061 61 L CA -0.404 54.322 54.840 -0.189 0.000 0.807 61 L CB 0.454 42.367 42.059 -0.244 0.000 1.177 61 L HN 0.337 nan 8.230 nan 0.000 0.429 62 W N 3.612 124.579 121.300 -0.556 0.000 2.781 62 W HA 0.500 5.157 4.660 -0.006 0.000 0.345 62 W C -0.221 175.928 176.519 -0.617 0.000 1.085 62 W CA -0.493 56.453 57.345 -0.664 0.000 1.198 62 W CB 1.188 30.036 29.460 -1.019 0.000 1.423 62 W HN 0.360 nan 8.180 nan 0.000 0.532 63 E N 1.867 122.051 120.200 -0.028 0.000 2.222 63 E HA 0.232 4.579 4.350 -0.006 0.000 0.267 63 E C -1.496 175.293 176.600 0.315 0.000 0.884 63 E CA -0.588 55.888 56.400 0.126 0.000 0.764 63 E CB 1.588 31.370 29.700 0.137 0.000 1.169 63 E HN 0.542 nan 8.360 nan 0.000 0.413 64 H N 3.164 122.420 119.070 0.311 0.000 2.667 64 H HA 0.232 4.784 4.556 -0.006 0.000 0.353 64 H C -1.709 173.748 175.328 0.215 0.000 1.072 64 H CA -0.643 55.588 56.048 0.304 0.000 1.214 64 H CB 1.906 31.907 29.762 0.399 0.000 1.600 64 H HN 0.581 nan 8.280 nan 0.000 0.527 65 D N 4.967 125.175 120.400 -0.321 0.000 2.412 65 D HA 0.146 4.782 4.640 -0.006 0.000 0.224 65 D C 1.184 177.346 176.300 -0.230 0.000 1.093 65 D CA -0.463 53.437 54.000 -0.166 0.000 0.850 65 D CB 0.755 41.493 40.800 -0.103 0.000 1.046 65 D HN 0.551 nan 8.370 nan 0.000 0.507 66 L N 3.335 124.575 121.223 0.028 0.000 2.079 66 L HA -0.160 4.177 4.340 -0.006 0.000 0.210 66 L C 2.385 179.273 176.870 0.031 0.000 1.081 66 L CA 1.045 55.945 54.840 0.100 0.000 0.752 66 L CB -0.360 41.766 42.059 0.111 0.000 0.896 66 L HN 0.484 nan 8.230 nan 0.000 0.433 67 K N 0.349 120.752 120.400 0.005 0.000 2.002 67 K HA -0.187 4.129 4.320 -0.006 0.000 0.209 67 K C 2.219 178.813 176.600 -0.011 0.000 1.048 67 K CA 1.991 58.278 56.287 0.001 0.000 0.930 67 K CB -0.006 32.494 32.500 0.000 0.000 0.714 67 K HN 0.369 nan 8.250 nan 0.000 0.438 68 S N -1.733 113.945 115.700 -0.037 0.000 2.503 68 S HA 0.180 4.646 4.470 -0.006 0.000 0.215 68 S C 1.311 175.883 174.600 -0.046 0.000 1.003 68 S CA 0.356 58.535 58.200 -0.034 0.000 0.910 68 S CB 0.669 63.849 63.200 -0.032 0.000 0.790 68 S HN 0.571 nan 8.310 nan 0.000 0.514 69 G N 1.806 110.540 108.800 -0.110 0.000 2.162 69 G HA2 -0.288 3.669 3.960 -0.006 0.000 0.260 69 G HA3 -0.288 3.669 3.960 -0.006 0.000 0.260 69 G C 0.155 174.984 174.900 -0.118 0.000 0.976 69 G CA 0.312 45.367 45.100 -0.076 0.000 0.655 69 G HN 1.379 nan 8.290 nan 0.000 0.533 70 S N -0.187 115.405 115.700 -0.180 0.000 2.565 70 S HA 0.732 5.199 4.470 -0.006 0.000 0.274 70 S C 0.026 174.598 174.600 -0.046 0.000 1.309 70 S CA 0.617 58.781 58.200 -0.060 0.000 1.043 70 S CB 2.023 65.210 63.200 -0.022 0.000 0.939 70 S HN 0.757 nan 8.310 nan 0.000 0.504 71 T N 2.855 117.507 114.554 0.162 0.000 2.886 71 T HA 0.764 5.110 4.350 -0.006 0.000 0.292 71 T C -0.537 174.372 174.700 0.349 0.000 1.012 71 T CA -0.995 61.310 62.100 0.342 0.000 0.982 71 T CB 1.315 70.468 68.868 0.476 0.000 1.018 71 T HN 0.947 nan 8.240 nan 0.000 0.451 72 R N 0.405 121.125 120.500 0.367 0.000 2.680 72 R HA 0.615 4.952 4.340 -0.006 0.000 0.269 72 R C -1.374 174.906 176.300 -0.032 0.000 1.026 72 R CA -1.281 54.947 56.100 0.214 0.000 0.889 72 R CB 1.692 32.035 30.300 0.072 0.000 1.241 72 R HN 0.478 nan 8.270 nan 0.000 0.463 73 K N 2.894 122.959 120.400 -0.560 0.000 2.276 73 K HA 0.232 4.548 4.320 -0.006 0.000 0.285 73 K C 0.458 176.731 176.600 -0.545 0.000 1.062 73 K CA -0.564 55.075 56.287 -1.080 0.000 0.918 73 K CB 0.665 32.290 32.500 -1.458 0.000 1.055 73 K HN 0.802 nan 8.250 nan 0.000 0.477 74 I N 1.713 121.987 120.570 -0.494 0.000 4.057 74 I HA 0.206 4.373 4.170 -0.006 0.000 0.334 74 I C -0.325 175.476 176.117 -0.527 0.000 1.308 74 I CA -0.500 60.563 61.300 -0.395 0.000 1.125 74 I CB 1.086 38.875 38.000 -0.353 0.000 1.034 74 I HN 0.239 nan 8.210 nan 0.000 0.401 75 V N 1.494 121.104 119.914 -0.507 0.000 2.851 75 V HA 0.666 4.783 4.120 -0.006 0.000 0.290 75 V C -1.004 174.890 176.094 -0.334 0.000 1.330 75 V CA 0.455 62.505 62.300 -0.416 0.000 0.944 75 V CB 1.787 33.305 31.823 -0.508 0.000 1.090 75 V HN 0.513 nan 8.190 nan 0.000 0.436 76 S N 3.921 119.473 115.700 -0.247 0.000 2.705 76 S HA 0.675 5.142 4.470 -0.006 0.000 0.280 76 S C 0.042 174.557 174.600 -0.143 0.000 1.174 76 S CA -0.037 58.044 58.200 -0.197 0.000 0.823 76 S CB 1.562 64.637 63.200 -0.208 0.000 1.162 76 S HN 2.229 nan 8.310 nan 0.000 0.487 77 N N -0.847 117.787 118.700 -0.110 0.000 2.741 77 N HA -0.136 4.600 4.740 -0.006 0.000 0.250 77 N C 0.026 175.469 175.510 -0.111 0.000 1.115 77 N CA 1.152 54.150 53.050 -0.088 0.000 0.724 77 N CB -1.734 36.710 38.487 -0.071 0.000 1.090 77 N HN 0.662 nan 8.380 nan 0.000 0.558 78 L N -1.965 119.168 121.223 -0.150 0.000 2.556 78 L HA 0.420 4.756 4.340 -0.006 0.000 0.226 78 L C 1.515 178.280 176.870 -0.176 0.000 1.089 78 L CA 0.619 55.331 54.840 -0.213 0.000 0.864 78 L CB 0.009 41.860 42.059 -0.346 0.000 1.067 78 L HN 0.498 nan 8.230 nan 0.000 0.477 79 G N -0.481 108.243 108.800 -0.128 0.000 2.280 79 G HA2 -0.106 3.851 3.960 -0.006 0.000 0.277 79 G HA3 -0.106 3.851 3.960 -0.006 0.000 0.277 79 G C -1.131 173.718 174.900 -0.086 0.000 1.288 79 G CA -0.672 44.367 45.100 -0.102 0.000 1.075 79 G HN -0.278 nan 8.290 nan 0.000 0.480 80 V N 1.241 121.097 119.914 -0.097 0.000 2.408 80 V HA 0.474 4.590 4.120 -0.006 0.000 0.267 80 V C 0.700 176.680 176.094 -0.190 0.000 1.047 80 V CA -0.130 62.075 62.300 -0.158 0.000 0.937 80 V CB 0.763 32.425 31.823 -0.267 0.000 0.999 80 V HN 0.549 nan 8.190 nan 0.000 0.472 81 I N 5.174 125.660 120.570 -0.140 0.000 2.331 81 I HA 0.323 4.489 4.170 -0.006 0.000 0.292 81 I C 0.921 176.987 176.117 -0.084 0.000 0.998 81 I CA -0.106 61.141 61.300 -0.089 0.000 1.267 81 I CB 1.091 39.062 38.000 -0.048 0.000 1.386 81 I HN 0.840 nan 8.210 nan 0.000 0.476 82 N N 3.239 121.907 118.700 -0.054 0.000 2.181 82 N HA 0.135 4.871 4.740 -0.006 0.000 0.207 82 N C -0.092 175.471 175.510 0.089 0.000 1.182 82 N CA -0.430 52.645 53.050 0.042 0.000 0.893 82 N CB 0.505 39.017 38.487 0.041 0.000 1.032 82 N HN 0.542 nan 8.380 nan 0.000 0.513 83 N N 0.016 118.774 118.700 0.097 0.000 2.446 83 N HA 0.609 5.346 4.740 -0.006 0.000 0.272 83 N C -2.203 173.400 175.510 0.155 0.000 1.127 83 N CA -0.460 52.694 53.050 0.173 0.000 0.896 83 N CB 2.274 40.909 38.487 0.246 0.000 1.658 83 N HN 0.287 nan 8.380 nan 0.000 0.483 84 A N 2.354 125.285 122.820 0.184 0.000 2.459 84 A HA 0.816 5.132 4.320 -0.006 0.000 0.296 84 A C -1.353 176.321 177.584 0.149 0.000 1.039 84 A CA -0.702 51.408 52.037 0.122 0.000 0.698 84 A CB 1.342 20.353 19.000 0.020 0.000 1.261 84 A HN 0.486 nan 8.150 nan 0.000 0.405 85 R N 1.479 122.078 120.500 0.165 0.000 2.532 85 R HA 0.396 4.733 4.340 -0.006 0.000 0.297 85 R C -1.485 174.948 176.300 0.222 0.000 0.984 85 R CA -0.424 55.819 56.100 0.239 0.000 0.884 85 R CB 1.257 31.785 30.300 0.379 0.000 1.182 85 R HN 0.685 nan 8.270 nan 0.000 0.442 86 F N 2.227 122.296 119.950 0.199 0.000 2.529 86 F HA 0.150 4.673 4.527 -0.006 0.000 0.365 86 F C 0.932 176.597 175.800 -0.226 0.000 1.102 86 F CA 0.211 58.258 58.000 0.079 0.000 1.271 86 F CB 0.457 39.495 39.000 0.064 0.000 1.120 86 F HN 0.326 nan 8.300 nan 0.000 0.579 87 F N 4.919 124.756 119.950 -0.187 0.000 2.375 87 F HA 0.183 4.706 4.527 -0.006 0.000 0.313 87 F C -0.872 174.641 175.800 -0.480 0.000 1.176 87 F CA -1.741 55.879 58.000 -0.632 0.000 1.142 87 F CB -0.031 38.781 39.000 -0.312 0.000 1.275 87 F HN 0.296 nan 8.300 nan 0.000 0.544 88 P HA -0.267 nan 4.420 nan 0.000 0.213 88 P C 0.848 178.134 177.300 -0.023 0.000 1.176 88 P CA 2.374 65.408 63.100 -0.110 0.000 0.919 88 P CB -0.263 31.410 31.700 -0.045 0.000 0.791 89 D N -0.825 119.556 120.400 -0.032 0.000 2.311 89 D HA -0.071 4.565 4.640 -0.006 0.000 0.212 89 D C 1.499 177.645 176.300 -0.257 0.000 0.972 89 D CA 1.402 55.361 54.000 -0.069 0.000 0.887 89 D CB -1.426 39.337 40.800 -0.062 0.000 0.915 89 D HN 0.457 nan 8.370 nan 0.000 0.497 90 G N -0.044 108.495 108.800 -0.434 0.000 2.143 90 G HA2 -0.333 3.623 3.960 -0.006 0.000 0.248 90 G HA3 -0.333 3.623 3.960 -0.006 0.000 0.248 90 G C 1.126 175.849 174.900 -0.294 0.000 0.991 90 G CA 0.474 45.048 45.100 -0.877 0.000 0.689 90 G HN 0.357 nan 8.290 nan 0.000 0.522 91 R N -0.235 120.188 120.500 -0.128 0.000 2.098 91 R HA 0.209 4.546 4.340 -0.006 0.000 0.203 91 R C 1.255 177.505 176.300 -0.083 0.000 1.166 91 R CA 0.790 56.836 56.100 -0.091 0.000 1.090 91 R CB -0.250 29.967 30.300 -0.137 0.000 0.992 91 R HN 0.437 nan 8.270 nan 0.000 0.477 92 K N 1.094 121.368 120.400 -0.211 0.000 2.098 92 K HA 0.482 4.798 4.320 -0.006 0.000 0.257 92 K C -0.154 176.451 176.600 0.009 0.000 0.999 92 K CA -0.136 55.923 56.287 -0.380 0.000 0.924 92 K CB 1.189 33.005 32.500 -1.140 0.000 1.028 92 K HN -0.037 nan 8.250 nan 0.000 0.466 93 I N 1.413 122.052 120.570 0.116 0.000 2.512 93 I HA 0.251 4.417 4.170 -0.006 0.000 0.287 93 I C -0.678 175.696 176.117 0.428 0.000 1.069 93 I CA -0.923 60.575 61.300 0.331 0.000 1.056 93 I CB 2.057 40.166 38.000 0.181 0.000 1.229 93 I HN 0.614 nan 8.210 nan 0.000 0.429 94 A N 7.855 131.010 122.820 0.558 0.000 2.366 94 A HA 0.805 5.122 4.320 -0.006 0.000 0.272 94 A C -0.474 177.319 177.584 0.348 0.000 1.135 94 A CA -0.052 52.309 52.037 0.539 0.000 0.804 94 A CB 0.232 19.493 19.000 0.435 0.000 1.064 94 A HN 0.672 nan 8.150 nan 0.000 0.499 95 I N 1.779 122.554 120.570 0.341 0.000 2.533 95 I HA 0.430 4.597 4.170 -0.006 0.000 0.290 95 I C 0.141 176.370 176.117 0.186 0.000 1.056 95 I CA -0.549 60.881 61.300 0.217 0.000 1.057 95 I CB 2.138 40.240 38.000 0.169 0.000 1.240 95 I HN 0.785 nan 8.210 nan 0.000 0.423 96 R N 5.533 126.109 120.500 0.126 0.000 2.255 96 R HA 0.714 5.051 4.340 -0.006 0.000 0.326 96 R C -1.717 174.616 176.300 0.055 0.000 0.986 96 R CA -0.396 55.758 56.100 0.090 0.000 0.847 96 R CB 1.745 32.094 30.300 0.083 0.000 1.111 96 R HN 0.530 nan 8.270 nan 0.000 0.452 97 V N 6.097 126.053 119.914 0.070 0.000 2.735 97 V HA 0.517 4.633 4.120 -0.006 0.000 0.310 97 V C -0.825 175.367 176.094 0.164 0.000 1.061 97 V CA -0.861 61.477 62.300 0.065 0.000 0.913 97 V CB 2.098 33.935 31.823 0.024 0.000 1.005 97 V HN 0.894 nan 8.190 nan 0.000 0.428 98 M N 6.107 125.743 119.600 0.060 0.000 2.472 98 M HA 0.669 5.146 4.480 -0.006 0.000 0.331 98 M C -0.268 176.040 176.300 0.013 0.000 1.170 98 M CA -0.374 54.965 55.300 0.065 0.000 1.009 98 M CB 2.036 34.579 32.600 -0.095 0.000 1.672 98 M HN 0.603 nan 8.290 nan 0.000 0.453 99 R N 0.251 120.743 120.500 -0.015 0.000 2.855 99 R HA 0.844 5.181 4.340 -0.006 0.000 0.266 99 R C -0.967 175.267 176.300 -0.110 0.000 1.034 99 R CA -0.865 55.124 56.100 -0.186 0.000 0.944 99 R CB 2.429 32.376 30.300 -0.588 0.000 1.219 99 R HN 0.939 nan 8.270 nan 0.000 0.474 100 G N 0.151 108.888 108.800 -0.104 0.000 3.067 100 G HA2 -0.220 3.736 3.960 -0.006 0.000 0.686 100 G HA3 -0.220 3.736 3.960 -0.006 0.000 0.686 100 G C 0.510 175.409 174.900 -0.002 0.000 1.119 100 G CA -0.180 44.890 45.100 -0.051 0.000 0.790 100 G HN 0.690 nan 8.290 nan 0.000 0.605 101 S N 0.399 116.117 115.700 0.031 0.000 2.400 101 S HA -0.160 4.306 4.470 -0.006 0.000 0.234 101 S C 1.975 176.691 174.600 0.193 0.000 1.049 101 S CA 2.354 60.617 58.200 0.105 0.000 1.039 101 S CB -0.104 63.150 63.200 0.090 0.000 0.856 101 S HN 1.396 nan 8.310 nan 0.000 0.465 102 S N 1.127 116.892 115.700 0.108 0.000 2.582 102 S HA 0.475 4.942 4.470 -0.006 0.000 0.234 102 S C 0.290 174.800 174.600 -0.150 0.000 0.961 102 S CA -0.215 58.024 58.200 0.066 0.000 0.953 102 S CB -0.536 62.694 63.200 0.050 0.000 0.800 102 S HN 0.555 nan 8.310 nan 0.000 0.471 103 L N 1.376 122.522 121.223 -0.128 0.000 3.678 103 L HA -0.313 4.023 4.340 -0.006 0.000 0.425 103 L C 0.878 177.662 176.870 -0.144 0.000 1.240 103 L CA 0.502 55.236 54.840 -0.177 0.000 0.876 103 L CB -2.382 39.471 42.059 -0.344 0.000 1.766 103 L HN 0.501 nan 8.230 nan 0.000 0.917 104 N N -0.870 117.777 118.700 -0.088 0.000 2.494 104 N HA -0.019 4.717 4.740 -0.006 0.000 0.182 104 N C 0.668 176.156 175.510 -0.036 0.000 1.076 104 N CA 0.838 53.845 53.050 -0.072 0.000 0.908 104 N CB 0.147 38.606 38.487 -0.047 0.000 0.967 104 N HN 0.638 nan 8.380 nan 0.000 0.449 105 T N -3.599 110.960 114.554 0.008 0.000 2.916 105 T HA 0.838 5.185 4.350 -0.006 0.000 0.292 105 T C -0.994 173.821 174.700 0.192 0.000 1.055 105 T CA -0.756 61.402 62.100 0.098 0.000 1.009 105 T CB 2.211 71.175 68.868 0.160 0.000 1.118 105 T HN 0.203 nan 8.240 nan 0.000 0.497 106 A N 1.294 124.230 122.820 0.193 0.000 2.604 106 A HA 0.799 5.115 4.320 -0.006 0.000 0.295 106 A C -1.739 175.694 177.584 -0.251 0.000 1.067 106 A CA -0.715 51.390 52.037 0.113 0.000 0.683 106 A CB 1.750 20.765 19.000 0.026 0.000 1.281 106 A HN 0.855 nan 8.150 nan 0.000 0.407 107 D N -0.344 119.743 120.400 -0.521 0.000 2.639 107 D HA 0.555 5.192 4.640 -0.006 0.000 0.271 107 D C -1.242 174.870 176.300 -0.314 0.000 1.254 107 D CA -0.219 53.377 54.000 -0.673 0.000 0.810 107 D CB 1.700 41.698 40.800 -1.335 0.000 1.351 107 D HN 0.483 nan 8.370 nan 0.000 0.427 108 L N 0.997 122.057 121.223 -0.271 0.000 2.331 108 L HA 0.537 4.873 4.340 -0.006 0.000 0.275 108 L C -0.860 175.968 176.870 -0.070 0.000 1.022 108 L CA -0.708 54.106 54.840 -0.043 0.000 0.812 108 L CB 0.951 43.008 42.059 -0.004 0.000 1.257 108 L HN 0.278 nan 8.230 nan 0.000 0.435 109 Y N 0.815 121.116 120.300 0.001 0.000 2.602 109 Y HA 0.549 5.096 4.550 -0.006 0.000 0.342 109 Y C -0.530 175.581 175.900 0.351 0.000 1.029 109 Y CA -0.759 57.379 58.100 0.062 0.000 1.080 109 Y CB 2.130 40.637 38.460 0.079 0.000 1.284 109 Y HN 0.276 nan 8.280 nan 0.000 0.485 110 F N 1.141 121.238 119.950 0.245 0.000 2.522 110 F HA 0.401 4.925 4.527 -0.005 0.000 0.324 110 F C -1.202 174.740 175.800 0.237 0.000 1.077 110 F CA -1.137 56.990 58.000 0.211 0.000 0.944 110 F CB 1.928 40.979 39.000 0.085 0.000 1.175 110 F HN 0.387 nan 8.300 nan 0.000 0.468 111 Y N 3.450 123.881 120.300 0.218 0.000 2.373 111 Y HA 0.304 4.850 4.550 -0.006 0.000 0.336 111 Y C -1.115 174.781 175.900 -0.007 0.000 0.979 111 Y CA -1.163 56.995 58.100 0.098 0.000 1.080 111 Y CB 1.168 39.668 38.460 0.066 0.000 1.190 111 Y HN 0.454 nan 8.280 nan 0.000 0.446 112 N N 3.844 122.129 118.700 -0.691 0.000 2.546 112 N HA 0.200 4.936 4.740 -0.006 0.000 0.238 112 N C 0.855 175.879 175.510 -0.810 0.000 0.984 112 N CA 0.516 53.225 53.050 -0.568 0.000 0.935 112 N CB 1.512 39.806 38.487 -0.321 0.000 1.122 112 N HN 1.095 nan 8.380 nan 0.000 0.510 113 G N 2.226 110.651 108.800 -0.624 0.000 2.501 113 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.220 113 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.220 113 G C 1.091 175.884 174.900 -0.177 0.000 1.114 113 G CA 0.536 45.440 45.100 -0.326 0.000 0.757 113 G HN 0.702 nan 8.290 nan 0.000 0.559 114 E N 1.559 121.646 120.200 -0.188 0.000 2.015 114 E HA -0.164 4.182 4.350 -0.006 0.000 0.191 114 E C 2.191 178.729 176.600 -0.102 0.000 0.991 114 E CA 1.541 57.871 56.400 -0.116 0.000 0.802 114 E CB -0.046 29.586 29.700 -0.113 0.000 0.759 114 E HN 0.524 nan 8.360 nan 0.000 0.447 115 N N -1.147 117.473 118.700 -0.132 0.000 2.282 115 N HA 0.112 4.848 4.740 -0.006 0.000 0.185 115 N C 0.917 176.375 175.510 -0.086 0.000 1.099 115 N CA 0.778 53.775 53.050 -0.089 0.000 0.878 115 N CB 0.780 39.221 38.487 -0.076 0.000 0.993 115 N HN 0.282 nan 8.380 nan 0.000 0.481 116 G N 0.213 108.908 108.800 -0.175 0.000 2.149 116 G HA2 -0.320 3.636 3.960 -0.006 0.000 0.235 116 G HA3 -0.320 3.636 3.960 -0.006 0.000 0.235 116 G C -0.477 174.406 174.900 -0.028 0.000 1.018 116 G CA 0.216 45.261 45.100 -0.091 0.000 0.728 116 G HN 0.661 nan 8.290 nan 0.000 0.508 117 E N -0.372 119.751 120.200 -0.129 0.000 2.313 117 E HA 0.595 4.941 4.350 -0.006 0.000 0.276 117 E C -0.176 176.464 176.600 0.066 0.000 1.031 117 E CA -0.837 55.552 56.400 -0.019 0.000 0.857 117 E CB 0.655 30.333 29.700 -0.038 0.000 1.040 117 E HN 0.297 nan 8.360 nan 0.000 0.408 118 I N 3.538 124.208 120.570 0.166 0.000 2.693 118 I HA 0.455 4.622 4.170 -0.006 0.000 0.303 118 I C -1.358 174.903 176.117 0.239 0.000 1.025 118 I CA -0.486 60.981 61.300 0.278 0.000 1.086 118 I CB 1.581 39.749 38.000 0.279 0.000 1.268 118 I HN 0.577 nan 8.210 nan 0.000 0.440 119 K N 5.549 126.121 120.400 0.288 0.000 2.579 119 K HA 0.342 4.658 4.320 -0.006 0.000 0.257 119 K C -1.270 175.189 176.600 -0.235 0.000 0.950 119 K CA -0.744 55.590 56.287 0.078 0.000 0.862 119 K CB 1.155 33.683 32.500 0.047 0.000 1.317 119 K HN 0.692 nan 8.250 nan 0.000 0.436 120 R N 5.051 125.165 120.500 -0.643 0.000 2.442 120 R HA 0.144 4.481 4.340 -0.006 0.000 0.291 120 R C 0.531 176.430 176.300 -0.669 0.000 1.069 120 R CA -0.170 55.176 56.100 -1.255 0.000 1.022 120 R CB 0.438 29.990 30.300 -1.246 0.000 0.976 120 R HN 0.593 nan 8.270 nan 0.000 0.443 121 I N 2.205 122.370 120.570 -0.675 0.000 3.172 121 I HA -0.003 4.164 4.170 -0.006 0.000 0.278 121 I C 0.963 176.888 176.117 -0.321 0.000 1.174 121 I CA 0.782 61.781 61.300 -0.502 0.000 1.445 121 I CB -0.494 37.093 38.000 -0.689 0.000 1.175 121 I HN 0.667 nan 8.210 nan 0.000 0.447 122 T N -1.741 112.497 114.554 -0.527 0.000 2.829 122 T HA 0.506 4.853 4.350 -0.006 0.000 0.280 122 T C -0.794 173.409 174.700 -0.828 0.000 0.999 122 T CA -0.327 61.356 62.100 -0.695 0.000 0.983 122 T CB 1.716 70.119 68.868 -0.775 0.000 0.968 122 T HN 0.031 nan 8.240 nan 0.000 0.446 123 Y N 2.013 121.870 120.300 -0.739 0.000 2.617 123 Y HA 0.430 4.976 4.550 -0.006 0.000 0.328 123 Y C 0.522 176.278 175.900 -0.240 0.000 0.946 123 Y CA -1.750 56.132 58.100 -0.362 0.000 1.241 123 Y CB -0.341 38.031 38.460 -0.147 0.000 1.226 123 Y HN 0.776 nan 8.280 nan 0.000 0.582 124 F N -1.451 118.390 119.950 -0.181 0.000 2.619 124 F HA 0.003 4.527 4.527 -0.006 0.000 0.293 124 F C 1.635 177.350 175.800 -0.142 0.000 1.119 124 F CA 0.268 58.144 58.000 -0.207 0.000 1.445 124 F CB 0.323 39.116 39.000 -0.345 0.000 1.119 124 F HN 0.106 nan 8.300 nan 0.000 0.573 125 S N 1.272 116.982 115.700 0.018 0.000 3.631 125 S HA -0.155 4.311 4.470 -0.006 0.000 0.366 125 S C 0.622 175.240 174.600 0.030 0.000 0.993 125 S CA 0.000 58.226 58.200 0.042 0.000 1.167 125 S CB -1.626 61.640 63.200 0.110 0.000 0.909 125 S HN 0.609 nan 8.310 nan 0.000 0.478 126 G N 1.446 110.246 108.800 0.000 0.000 2.368 126 G HA2 0.210 4.166 3.960 -0.006 0.000 0.233 126 G HA3 0.210 4.166 3.960 -0.006 0.000 0.233 126 G C -0.083 174.807 174.900 -0.017 0.000 1.267 126 G CA -0.155 44.933 45.100 -0.020 0.000 0.873 126 G HN 0.674 nan 8.290 nan 0.000 0.539 127 K N 0.840 121.218 120.400 -0.037 0.000 2.322 127 K HA 0.413 4.730 4.320 -0.006 0.000 0.283 127 K C 0.347 176.892 176.600 -0.091 0.000 1.042 127 K CA -0.017 56.234 56.287 -0.058 0.000 0.958 127 K CB 0.975 33.430 32.500 -0.075 0.000 0.984 127 K HN 0.639 nan 8.250 nan 0.000 0.473 128 S N 0.503 116.125 115.700 -0.131 0.000 2.588 128 S HA 0.647 5.114 4.470 -0.006 0.000 0.275 128 S C -0.633 173.816 174.600 -0.252 0.000 1.130 128 S CA -0.868 57.203 58.200 -0.215 0.000 0.855 128 S CB 1.935 65.044 63.200 -0.152 0.000 1.116 128 S HN 0.635 nan 8.310 nan 0.000 0.472 129 T N -2.081 112.270 114.554 -0.337 0.000 2.883 129 T HA 0.680 5.026 4.350 -0.006 0.000 0.301 129 T C 1.301 175.820 174.700 -0.302 0.000 1.158 129 T CA -0.292 61.620 62.100 -0.314 0.000 1.007 129 T CB 0.914 69.563 68.868 -0.365 0.000 1.186 129 T HN 1.131 nan 8.240 nan 0.000 0.499 130 G N 1.658 110.316 108.800 -0.238 0.000 2.574 130 G HA2 -0.315 3.641 3.960 -0.006 0.000 0.220 130 G HA3 -0.315 3.641 3.960 -0.006 0.000 0.220 130 G C 1.512 176.305 174.900 -0.180 0.000 1.173 130 G CA 1.273 46.279 45.100 -0.157 0.000 0.772 130 G HN 1.022 nan 8.290 nan 0.000 0.585 131 R N -0.072 120.245 120.500 -0.305 0.000 2.092 131 R HA 0.051 4.387 4.340 -0.006 0.000 0.231 131 R C 0.746 176.834 176.300 -0.354 0.000 1.119 131 R CA 0.860 56.764 56.100 -0.326 0.000 0.970 131 R CB -0.164 29.776 30.300 -0.600 0.000 0.864 131 R HN 0.215 nan 8.270 nan 0.000 0.440 132 R N 1.216 121.367 120.500 -0.581 0.000 2.477 132 R HA 0.321 4.657 4.340 -0.006 0.000 0.285 132 R C -0.500 175.230 176.300 -0.950 0.000 1.415 132 R CA -0.192 55.273 56.100 -1.059 0.000 1.446 132 R CB 1.154 30.567 30.300 -1.479 0.000 1.110 132 R HN 0.127 nan 8.270 nan 0.000 0.590 133 M N 3.207 122.509 119.600 -0.496 0.000 3.586 133 M HA 0.227 4.704 4.480 -0.006 0.000 0.225 133 M C -0.285 176.021 176.300 0.011 0.000 1.428 133 M CA 0.366 55.539 55.300 -0.212 0.000 1.613 133 M CB -0.359 32.201 32.600 -0.067 0.000 1.063 133 M HN 0.312 nan 8.290 nan 0.000 0.593 134 F N 0.536 120.380 119.950 -0.176 0.000 2.435 134 F HA 0.129 4.652 4.527 -0.006 0.000 0.316 134 F C 1.292 177.028 175.800 -0.106 0.000 1.220 134 F CA -0.443 57.465 58.000 -0.153 0.000 1.241 134 F CB 0.613 39.506 39.000 -0.179 0.000 1.234 134 F HN 0.393 nan 8.300 nan 0.000 0.569 135 T N 1.236 115.836 114.554 0.077 0.000 2.995 135 T HA -0.158 4.189 4.350 -0.006 0.000 0.456 135 T C -0.980 173.736 174.700 0.027 0.000 0.777 135 T CA 0.060 62.167 62.100 0.011 0.000 2.404 135 T CB -0.996 67.874 68.868 0.003 0.000 1.682 135 T HN 0.650 nan 8.240 nan 0.000 0.624 136 D N -0.078 120.334 120.400 0.020 0.000 2.744 136 D HA 0.579 5.215 4.640 -0.006 0.000 0.304 136 D C -0.302 176.006 176.300 0.012 0.000 1.179 136 D CA -0.589 53.432 54.000 0.035 0.000 1.024 136 D CB 1.799 42.632 40.800 0.055 0.000 1.453 136 D HN 0.230 nan 8.370 nan 0.000 0.529 137 V N 1.516 121.440 119.914 0.017 0.000 2.508 137 V HA 0.433 4.550 4.120 -0.006 0.000 0.281 137 V C 1.167 177.202 176.094 -0.099 0.000 1.041 137 V CA 0.519 62.787 62.300 -0.053 0.000 1.016 137 V CB 0.898 32.698 31.823 -0.038 0.000 0.984 137 V HN 0.704 nan 8.190 nan 0.000 0.478 138 A N 3.715 126.454 122.820 -0.135 0.000 2.014 138 A HA 0.674 4.991 4.320 -0.006 0.000 0.210 138 A C 1.065 178.611 177.584 -0.064 0.000 1.188 138 A CA 0.931 52.899 52.037 -0.114 0.000 0.731 138 A CB 0.077 19.030 19.000 -0.079 0.000 0.858 138 A HN 1.383 nan 8.150 nan 0.000 0.464 139 G N -2.175 106.511 108.800 -0.189 0.000 2.351 139 G HA2 0.407 4.364 3.960 -0.006 0.000 0.279 139 G HA3 0.407 4.364 3.960 -0.006 0.000 0.279 139 G C -1.569 173.035 174.900 -0.495 0.000 1.297 139 G CA -0.739 44.287 45.100 -0.124 0.000 0.886 139 G HN 0.286 nan 8.290 nan 0.000 0.493 140 F N 1.263 121.302 119.950 0.149 0.000 2.565 140 F HA 0.538 5.062 4.527 -0.005 0.000 0.313 140 F C 0.033 175.881 175.800 0.080 0.000 1.091 140 F CA -0.626 57.413 58.000 0.066 0.000 0.915 140 F CB 2.249 41.228 39.000 -0.036 0.000 1.208 140 F HN 0.672 nan 8.300 nan 0.000 0.453 141 D N 1.798 122.242 120.400 0.073 0.000 2.383 141 D HA 0.285 4.922 4.640 -0.006 0.000 0.248 141 D C -2.171 173.898 176.300 -0.385 0.000 1.170 141 D CA -2.063 51.674 54.000 -0.438 0.000 0.977 141 D CB 0.353 41.005 40.800 -0.246 0.000 1.120 141 D HN 0.150 nan 8.370 nan 0.000 0.481 142 P HA -0.134 nan 4.420 nan 0.000 0.215 142 P C 0.384 177.623 177.300 -0.102 0.000 1.157 142 P CA 1.270 64.214 63.100 -0.260 0.000 0.874 142 P CB 0.054 31.612 31.700 -0.237 0.000 0.790 143 D N -1.901 118.450 120.400 -0.082 0.000 2.392 143 D HA 0.040 4.676 4.640 -0.006 0.000 0.228 143 D C 1.533 177.856 176.300 0.038 0.000 1.003 143 D CA 1.377 55.371 54.000 -0.010 0.000 0.917 143 D CB -0.752 40.050 40.800 0.003 0.000 0.890 143 D HN 0.215 nan 8.370 nan 0.000 0.532 144 G N 0.464 109.298 108.800 0.056 0.000 2.157 144 G HA2 -0.298 3.658 3.960 -0.006 0.000 0.248 144 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.248 144 G C 0.085 175.140 174.900 0.259 0.000 0.979 144 G CA -0.253 44.928 45.100 0.135 0.000 0.650 144 G HN 0.387 nan 8.290 nan 0.000 0.529 145 N N -0.102 118.723 118.700 0.208 0.000 2.529 145 N HA 0.533 5.269 4.740 -0.006 0.000 0.278 145 N C 0.116 175.761 175.510 0.224 0.000 1.146 145 N CA -0.646 52.549 53.050 0.242 0.000 0.980 145 N CB 1.380 39.959 38.487 0.154 0.000 1.124 145 N HN 0.300 nan 8.380 nan 0.000 0.458 146 L N 3.244 124.589 121.223 0.203 0.000 2.410 146 L HA 0.358 4.695 4.340 -0.006 0.000 0.273 146 L C -0.951 175.893 176.870 -0.043 0.000 1.152 146 L CA 0.380 55.151 54.840 -0.116 0.000 0.855 146 L CB 0.130 42.216 42.059 0.045 0.000 1.129 146 L HN 0.480 nan 8.230 nan 0.000 0.463 147 I N 6.680 127.143 120.570 -0.178 0.000 2.406 147 I HA 0.392 4.558 4.170 -0.006 0.000 0.290 147 I C -0.139 175.952 176.117 -0.043 0.000 0.999 147 I CA -0.620 60.671 61.300 -0.015 0.000 1.124 147 I CB 1.486 39.509 38.000 0.038 0.000 1.289 147 I HN 0.644 nan 8.210 nan 0.000 0.441 148 I N 2.104 122.720 120.570 0.078 0.000 2.750 148 I HA 0.673 4.840 4.170 -0.006 0.000 0.308 148 I C -0.189 175.970 176.117 0.071 0.000 1.016 148 I CA -0.495 60.847 61.300 0.069 0.000 1.098 148 I CB 2.081 40.166 38.000 0.141 0.000 1.279 148 I HN 0.451 nan 8.210 nan 0.000 0.454 149 S N 2.300 118.003 115.700 0.005 0.000 2.449 149 S HA 0.705 5.171 4.470 -0.006 0.000 0.310 149 S C -0.580 173.981 174.600 -0.066 0.000 1.096 149 S CA -0.198 57.973 58.200 -0.048 0.000 1.095 149 S CB 0.924 64.054 63.200 -0.118 0.000 1.007 149 S HN 0.942 nan 8.310 nan 0.000 0.474 150 T N 2.093 116.601 114.554 -0.078 0.000 2.942 150 T HA 0.338 4.685 4.350 -0.006 0.000 0.327 150 T C -0.839 173.724 174.700 -0.229 0.000 1.360 150 T CA -0.590 61.404 62.100 -0.177 0.000 1.055 150 T CB 1.283 69.999 68.868 -0.253 0.000 1.261 150 T HN 0.734 nan 8.240 nan 0.000 0.485 151 D N 1.910 122.147 120.400 -0.272 0.000 2.369 151 D HA 0.191 4.827 4.640 -0.006 0.000 0.211 151 D C 1.735 177.839 176.300 -0.328 0.000 1.077 151 D CA 0.302 54.131 54.000 -0.284 0.000 0.842 151 D CB 0.024 40.682 40.800 -0.236 0.000 0.947 151 D HN 0.525 nan 8.370 nan 0.000 0.509 152 A N 0.869 123.436 122.820 -0.422 0.000 1.948 152 A HA -0.158 4.158 4.320 -0.006 0.000 0.220 152 A C 1.885 179.146 177.584 -0.539 0.000 1.177 152 A CA 1.332 53.067 52.037 -0.504 0.000 0.636 152 A CB -0.371 18.171 19.000 -0.764 0.000 0.815 152 A HN 0.190 nan 8.150 nan 0.000 0.449 153 M N -0.132 119.113 119.600 -0.593 0.000 2.475 153 M HA 0.235 4.712 4.480 -0.006 0.000 0.261 153 M C -0.294 175.783 176.300 -0.372 0.000 1.177 153 M CA 0.076 55.089 55.300 -0.479 0.000 0.979 153 M CB 0.613 32.920 32.600 -0.487 0.000 1.482 153 M HN 0.225 nan 8.290 nan 0.000 0.484 154 Q N -0.047 119.533 119.800 -0.366 0.000 2.297 154 Q HA 0.477 4.813 4.340 -0.006 0.000 0.268 154 Q C -1.857 173.863 176.000 -0.466 0.000 1.045 154 Q CA -1.848 53.731 55.803 -0.373 0.000 0.861 154 Q CB 0.926 29.458 28.738 -0.344 0.000 1.344 154 Q HN -0.018 nan 8.270 nan 0.000 0.452 155 P HA -0.015 nan 4.420 nan 0.000 0.225 155 P C -0.343 176.321 177.300 -1.059 0.000 1.156 155 P CA 0.968 63.562 63.100 -0.843 0.000 0.787 155 P CB 0.350 31.409 31.700 -1.069 0.000 0.802 156 F N 0.075 119.685 119.950 -0.567 0.000 2.520 156 F HA 0.242 4.766 4.527 -0.005 0.000 0.322 156 F C 1.975 177.527 175.800 -0.413 0.000 1.103 156 F CA -0.774 56.892 58.000 -0.555 0.000 0.926 156 F CB 1.482 39.912 39.000 -0.951 0.000 1.154 156 F HN -0.284 nan 8.300 nan 0.000 0.453 157 S N -0.054 115.601 115.700 -0.076 0.000 2.399 157 S HA -0.172 4.295 4.470 -0.006 0.000 0.231 157 S C 1.709 176.315 174.600 0.010 0.000 1.022 157 S CA 1.720 59.918 58.200 -0.004 0.000 0.983 157 S CB -0.479 62.757 63.200 0.059 0.000 0.803 157 S HN 0.565 nan 8.310 nan 0.000 0.480 158 S N 1.121 116.774 115.700 -0.078 0.000 2.481 158 S HA 0.248 4.715 4.470 -0.006 0.000 0.231 158 S C 1.004 175.286 174.600 -0.531 0.000 0.996 158 S CA 0.488 58.498 58.200 -0.316 0.000 0.942 158 S CB -0.457 62.399 63.200 -0.573 0.000 0.768 158 S HN 0.538 nan 8.310 nan 0.000 0.520 159 M N 3.105 122.441 119.600 -0.440 0.000 3.759 159 M HA 0.014 4.491 4.480 -0.006 0.000 0.190 159 M C 0.278 176.334 176.300 -0.407 0.000 1.478 159 M CA 0.063 55.106 55.300 -0.427 0.000 1.691 159 M CB -0.572 31.773 32.600 -0.426 0.000 1.113 159 M HN 0.107 nan 8.290 nan 0.000 0.542 160 T N -1.601 112.663 114.554 -0.482 0.000 3.859 160 T HA 0.153 4.499 4.350 -0.006 0.000 0.251 160 T C 0.290 174.788 174.700 -0.337 0.000 1.079 160 T CA -0.696 61.133 62.100 -0.452 0.000 1.151 160 T CB -0.917 67.557 68.868 -0.658 0.000 1.173 160 T HN 0.368 nan 8.240 nan 0.000 0.885 161 C N 3.730 122.856 119.300 -0.291 0.000 2.657 161 C HA 0.346 4.803 4.460 -0.006 0.000 0.404 161 C C 1.077 175.873 174.990 -0.325 0.000 1.291 161 C CA -0.958 57.843 59.018 -0.361 0.000 2.218 161 C CB -0.385 27.099 27.740 -0.426 0.000 2.687 161 C HN 0.764 nan 8.230 nan 0.000 0.634 162 L N 3.067 124.042 121.223 -0.413 0.000 2.331 162 L HA 0.375 4.712 4.340 -0.006 0.000 0.278 162 L C -0.827 175.820 176.870 -0.373 0.000 1.106 162 L CA 0.069 54.747 54.840 -0.270 0.000 0.824 162 L CB 0.089 42.032 42.059 -0.194 0.000 1.142 162 L HN 0.641 nan 8.230 nan 0.000 0.443 163 Y N 1.841 122.143 120.300 0.002 0.000 2.477 163 Y HA 0.425 4.971 4.550 -0.006 0.000 0.347 163 Y C -0.003 175.983 175.900 0.144 0.000 0.981 163 Y CA -0.819 57.337 58.100 0.094 0.000 1.033 163 Y CB 1.945 40.492 38.460 0.145 0.000 1.245 163 Y HN 0.464 nan 8.280 nan 0.000 0.455 164 R N 2.589 123.268 120.500 0.297 0.000 2.202 164 R HA 0.538 4.874 4.340 -0.006 0.000 0.334 164 R C -1.292 175.132 176.300 0.207 0.000 1.036 164 R CA -0.460 55.770 56.100 0.216 0.000 0.878 164 R CB 0.543 30.939 30.300 0.159 0.000 1.067 164 R HN 0.587 nan 8.270 nan 0.000 0.457 165 V N 4.591 124.610 119.914 0.176 0.000 2.655 165 V HA 0.088 4.204 4.120 -0.006 0.000 0.300 165 V C 0.314 176.399 176.094 -0.016 0.000 1.044 165 V CA 0.441 62.755 62.300 0.024 0.000 1.095 165 V CB 0.992 32.907 31.823 0.154 0.000 0.952 165 V HN 0.825 nan 8.190 nan 0.000 0.485 166 E N 3.196 123.285 120.200 -0.185 0.000 2.317 166 E HA 0.368 4.715 4.350 -0.006 0.000 0.270 166 E C -0.319 176.216 176.600 -0.108 0.000 0.885 166 E CA -0.894 55.457 56.400 -0.081 0.000 0.760 166 E CB 1.465 31.131 29.700 -0.056 0.000 1.227 166 E HN 0.755 nan 8.360 nan 0.000 0.434 167 N N 2.611 121.294 118.700 -0.028 0.000 2.710 167 N HA -0.212 4.525 4.740 -0.006 0.000 0.249 167 N C -1.031 174.450 175.510 -0.048 0.000 1.059 167 N CA 1.299 54.333 53.050 -0.027 0.000 0.720 167 N CB -1.025 37.431 38.487 -0.051 0.000 0.983 167 N HN 0.728 nan 8.380 nan 0.000 0.544 168 D N -1.851 118.529 120.400 -0.033 0.000 2.746 168 D HA -0.136 4.500 4.640 -0.006 0.000 0.236 168 D C 1.195 177.345 176.300 -0.249 0.000 1.129 168 D CA 2.198 56.111 54.000 -0.146 0.000 0.691 168 D CB -1.539 39.209 40.800 -0.086 0.000 1.077 168 D HN 0.882 nan 8.370 nan 0.000 0.432 169 G N -1.160 107.448 108.800 -0.319 0.000 2.179 169 G HA2 -0.321 3.636 3.960 -0.006 0.000 0.220 169 G HA3 -0.321 3.636 3.960 -0.006 0.000 0.220 169 G C 1.038 175.850 174.900 -0.146 0.000 0.990 169 G CA 0.161 45.069 45.100 -0.320 0.000 0.646 169 G HN 0.423 nan 8.290 nan 0.000 0.517 170 I N 0.499 121.008 120.570 -0.102 0.000 2.394 170 I HA 0.068 4.235 4.170 -0.006 0.000 0.251 170 I C 1.087 177.334 176.117 0.217 0.000 1.136 170 I CA 1.550 62.902 61.300 0.086 0.000 1.425 170 I CB -0.531 37.466 38.000 -0.004 0.000 1.079 170 I HN 0.404 nan 8.210 nan 0.000 0.425 171 N N -0.621 118.040 118.700 -0.065 0.000 2.331 171 N HA 0.408 5.144 4.740 -0.006 0.000 0.280 171 N C -1.670 173.637 175.510 -0.338 0.000 1.155 171 N CA -0.437 52.642 53.050 0.049 0.000 0.822 171 N CB 1.560 40.084 38.487 0.062 0.000 1.619 171 N HN -0.204 nan 8.380 nan 0.000 0.476 172 F N 1.307 121.406 119.950 0.247 0.000 2.507 172 F HA 0.479 5.002 4.527 -0.006 0.000 0.328 172 F C -0.456 175.501 175.800 0.261 0.000 1.136 172 F CA -0.821 57.303 58.000 0.206 0.000 0.930 172 F CB 1.826 40.885 39.000 0.098 0.000 1.166 172 F HN 0.045 nan 8.300 nan 0.000 0.436 173 V N 5.308 125.448 119.914 0.377 0.000 2.370 173 V HA 0.398 4.514 4.120 -0.006 0.000 0.283 173 V C -2.102 174.157 176.094 0.276 0.000 1.023 173 V CA -2.007 60.467 62.300 0.290 0.000 0.857 173 V CB 1.404 33.333 31.823 0.177 0.000 0.985 173 V HN 0.458 nan 8.190 nan 0.000 0.443 174 P HA 0.208 nan 4.420 nan 0.000 0.276 174 P C 0.480 177.719 177.300 -0.101 0.000 1.230 174 P CA -0.070 62.957 63.100 -0.120 0.000 0.776 174 P CB 1.442 33.063 31.700 -0.131 0.000 0.888 175 L N 1.890 122.999 121.223 -0.189 0.000 2.446 175 L HA 0.055 4.391 4.340 -0.006 0.000 0.219 175 L C 0.476 177.276 176.870 -0.117 0.000 1.116 175 L CA 0.354 55.138 54.840 -0.093 0.000 0.844 175 L CB -0.926 41.089 42.059 -0.073 0.000 0.970 175 L HN 0.510 nan 8.230 nan 0.000 0.457 176 N N 0.424 119.002 118.700 -0.203 0.000 2.738 176 N HA -0.205 4.532 4.740 -0.006 0.000 0.249 176 N C 0.311 175.726 175.510 -0.158 0.000 1.047 176 N CA -0.037 52.920 53.050 -0.155 0.000 0.707 176 N CB -1.063 37.398 38.487 -0.044 0.000 0.937 176 N HN 0.293 nan 8.380 nan 0.000 0.545 177 L N -0.440 120.604 121.223 -0.297 0.000 2.959 177 L HA 0.329 4.665 4.340 -0.006 0.000 0.259 177 L C 1.367 177.880 176.870 -0.594 0.000 1.185 177 L CA 0.282 54.900 54.840 -0.370 0.000 0.998 177 L CB 0.254 42.093 42.059 -0.365 0.000 1.337 177 L HN 0.482 nan 8.230 nan 0.000 0.555 178 G N 1.434 109.691 108.800 -0.906 0.000 2.741 178 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.222 178 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.222 178 G C -2.718 171.647 174.900 -0.891 0.000 1.364 178 G CA -0.911 43.166 45.100 -1.705 0.000 0.866 178 G HN 0.035 nan 8.290 nan 0.000 0.555 179 P HA 0.472 nan 4.420 nan 0.000 0.268 179 P C -0.150 176.975 177.300 -0.291 0.000 1.204 179 P CA 1.152 64.005 63.100 -0.411 0.000 0.768 179 P CB 1.142 32.671 31.700 -0.284 0.000 0.842 180 A N 2.565 125.243 122.820 -0.236 0.000 2.589 180 A HA 0.535 4.851 4.320 -0.006 0.000 0.296 180 A C 0.654 178.181 177.584 -0.094 0.000 1.062 180 A CA -0.357 51.596 52.037 -0.140 0.000 0.686 180 A CB 0.836 19.734 19.000 -0.170 0.000 1.282 180 A HN 0.373 nan 8.150 nan 0.000 0.404 181 T N 0.371 114.926 114.554 0.001 0.000 3.021 181 T HA 0.209 4.555 4.350 -0.006 0.000 0.245 181 T C 0.181 174.756 174.700 -0.208 0.000 1.028 181 T CA 1.466 63.554 62.100 -0.020 0.000 1.139 181 T CB -0.219 68.768 68.868 0.198 0.000 0.884 181 T HN 0.734 nan 8.240 nan 0.000 0.457 182 H N -0.604 118.492 119.070 0.044 0.000 2.637 182 H HA 0.705 5.257 4.556 -0.006 0.000 0.363 182 H C -1.236 174.096 175.328 0.007 0.000 1.131 182 H CA -0.822 55.251 56.048 0.042 0.000 1.183 182 H CB 2.034 31.837 29.762 0.069 0.000 1.637 182 H HN 0.100 nan 8.280 nan 0.000 0.531 183 I N 3.232 123.876 120.570 0.124 0.000 2.499 183 I HA 0.418 4.584 4.170 -0.006 0.000 0.288 183 I C -1.770 174.362 176.117 0.025 0.000 1.048 183 I CA -0.286 61.019 61.300 0.007 0.000 1.062 183 I CB 0.712 38.685 38.000 -0.045 0.000 1.238 183 I HN 0.453 nan 8.210 nan 0.000 0.426 184 L N 6.415 127.592 121.223 -0.078 0.000 2.301 184 L HA 0.631 4.968 4.340 -0.006 0.000 0.264 184 L C -1.420 175.315 176.870 -0.226 0.000 1.016 184 L CA -0.820 54.031 54.840 0.017 0.000 0.821 184 L CB 1.959 44.072 42.059 0.090 0.000 1.346 184 L HN 0.440 nan 8.230 nan 0.000 0.429 185 F N 0.634 120.653 119.950 0.115 0.000 2.536 185 F HA 0.674 5.197 4.527 -0.006 0.000 0.322 185 F C -0.011 175.826 175.800 0.061 0.000 1.144 185 F CA -0.560 57.497 58.000 0.095 0.000 0.924 185 F CB 2.049 41.107 39.000 0.098 0.000 1.181 185 F HN 0.363 nan 8.300 nan 0.000 0.438 186 A N 2.539 125.461 122.820 0.170 0.000 2.335 186 A HA 0.570 4.886 4.320 -0.006 0.000 0.304 186 A C -0.485 177.152 177.584 0.088 0.000 1.118 186 A CA -0.733 51.348 52.037 0.074 0.000 0.757 186 A CB 0.446 19.454 19.000 0.012 0.000 1.188 186 A HN 0.862 nan 8.150 nan 0.000 0.460 187 D N 2.204 122.653 120.400 0.082 0.000 2.697 187 D HA -0.226 4.411 4.640 -0.006 0.000 0.235 187 D C 1.119 177.488 176.300 0.115 0.000 1.167 187 D CA 2.058 56.124 54.000 0.109 0.000 0.656 187 D CB -1.234 39.648 40.800 0.137 0.000 1.025 187 D HN 1.980 nan 8.370 nan 0.000 0.419 188 G N 0.111 108.999 108.800 0.147 0.000 2.166 188 G HA2 -0.378 3.579 3.960 -0.006 0.000 0.260 188 G HA3 -0.378 3.579 3.960 -0.006 0.000 0.260 188 G C 0.279 175.282 174.900 0.171 0.000 0.986 188 G CA 0.655 45.853 45.100 0.163 0.000 0.683 188 G HN 0.552 nan 8.290 nan 0.000 0.527 189 R N 0.117 120.706 120.500 0.149 0.000 2.393 189 R HA 0.499 4.836 4.340 -0.006 0.000 0.310 189 R C 0.184 176.510 176.300 0.044 0.000 0.968 189 R CA -0.922 55.220 56.100 0.070 0.000 0.867 189 R CB 1.289 31.602 30.300 0.022 0.000 1.124 189 R HN 0.212 nan 8.270 nan 0.000 0.450 190 R N 1.735 122.226 120.500 -0.014 0.000 2.298 190 R HA 0.212 4.548 4.340 -0.006 0.000 0.310 190 R C -0.381 175.919 176.300 -0.001 0.000 1.068 190 R CA -0.364 55.649 56.100 -0.145 0.000 0.957 190 R CB 0.913 31.245 30.300 0.052 0.000 1.003 190 R HN 0.249 nan 8.270 nan 0.000 0.454 191 V N 5.629 125.490 119.914 -0.088 0.000 2.347 191 V HA 0.281 4.398 4.120 -0.006 0.000 0.280 191 V C 0.202 176.333 176.094 0.061 0.000 1.021 191 V CA -0.697 61.635 62.300 0.052 0.000 0.847 191 V CB 1.415 33.261 31.823 0.038 0.000 0.990 191 V HN 0.557 nan 8.190 nan 0.000 0.444 192 I N 4.154 124.823 120.570 0.164 0.000 2.359 192 I HA 0.526 4.693 4.170 -0.006 0.000 0.294 192 I C 0.795 176.996 176.117 0.141 0.000 0.987 192 I CA -0.144 61.216 61.300 0.101 0.000 1.225 192 I CB 1.476 39.487 38.000 0.019 0.000 1.366 192 I HN 0.686 nan 8.210 nan 0.000 0.466 193 G N 6.642 115.513 108.800 0.118 0.000 2.468 193 G HA2 0.534 4.490 3.960 -0.006 0.000 0.315 193 G HA3 0.534 4.490 3.960 -0.006 0.000 0.315 193 G C -0.194 174.781 174.900 0.124 0.000 1.203 193 G CA -0.650 44.533 45.100 0.137 0.000 0.962 193 G HN 0.498 nan 8.290 nan 0.000 0.476 194 R N 1.969 122.535 120.500 0.110 0.000 2.254 194 R HA 0.223 4.559 4.340 -0.006 0.000 0.318 194 R C 0.378 176.721 176.300 0.072 0.000 1.031 194 R CA -0.405 55.749 56.100 0.090 0.000 0.905 194 R CB 0.731 31.089 30.300 0.097 0.000 1.050 194 R HN 0.820 nan 8.270 nan 0.000 0.456 195 N N -0.035 118.710 118.700 0.075 0.000 2.708 195 N HA -0.206 4.531 4.740 -0.006 0.000 0.249 195 N C -0.040 175.198 175.510 -0.452 0.000 1.097 195 N CA 1.017 53.967 53.050 -0.168 0.000 0.710 195 N CB -0.860 37.640 38.487 0.022 0.000 1.032 195 N HN 0.726 nan 8.380 nan 0.000 0.551 196 T N -2.326 112.150 114.554 -0.131 0.000 3.324 196 T HA 0.201 4.547 4.350 -0.006 0.000 0.250 196 T C 0.483 175.273 174.700 0.150 0.000 1.059 196 T CA -0.445 61.641 62.100 -0.024 0.000 0.951 196 T CB -0.700 68.225 68.868 0.095 0.000 1.030 196 T HN 0.360 nan 8.240 nan 0.000 0.576 197 F N 0.571 120.790 119.950 0.449 0.000 2.375 197 F HA 0.671 5.194 4.527 -0.006 0.000 0.313 197 F C 0.475 176.550 175.800 0.459 0.000 1.176 197 F CA -1.745 56.514 58.000 0.431 0.000 1.142 197 F CB 0.356 39.569 39.000 0.356 0.000 1.275 197 F HN -0.177 nan 8.300 nan 0.000 0.544 198 E N 0.917 121.500 120.200 0.639 0.000 2.390 198 E HA 0.274 4.620 4.350 -0.006 0.000 0.261 198 E C -0.528 176.371 176.600 0.498 0.000 1.076 198 E CA -0.104 56.603 56.400 0.512 0.000 0.905 198 E CB 1.161 31.109 29.700 0.415 0.000 0.984 198 E HN 0.632 nan 8.360 nan 0.000 0.427 199 L N 3.698 125.106 121.223 0.308 0.000 2.529 199 L HA 0.176 4.512 4.340 -0.006 0.000 0.246 199 L C -1.605 175.257 176.870 -0.013 0.000 1.394 199 L CA -1.238 53.654 54.840 0.087 0.000 0.906 199 L CB 1.402 43.343 42.059 -0.196 0.000 1.170 199 L HN 0.241 nan 8.230 nan 0.000 0.501 200 P HA -0.166 nan 4.420 nan 0.000 0.226 200 P C 1.017 178.344 177.300 0.045 0.000 1.153 200 P CA 1.226 64.364 63.100 0.064 0.000 0.777 200 P CB -0.027 31.752 31.700 0.131 0.000 0.794 201 H N -4.435 114.719 119.070 0.141 0.000 2.548 201 H HA 0.049 4.601 4.556 -0.006 0.000 0.265 201 H C -0.126 175.343 175.328 0.236 0.000 0.969 201 H CA -0.021 56.117 56.048 0.150 0.000 1.155 201 H CB -0.347 29.521 29.762 0.175 0.000 1.394 201 H HN 0.156 nan 8.280 nan 0.000 0.570 202 W N 2.941 124.015 121.300 -0.377 0.000 2.451 202 W HA 0.375 5.031 4.660 -0.006 0.000 0.285 202 W C -1.070 175.404 176.519 -0.075 0.000 1.024 202 W CA -1.859 55.381 57.345 -0.175 0.000 1.421 202 W CB 0.598 29.917 29.460 -0.234 0.000 1.319 202 W HN -0.149 nan 8.180 nan 0.000 0.366 203 K N 1.202 121.759 120.400 0.261 0.000 2.237 203 K HA 0.455 4.771 4.320 -0.006 0.000 0.270 203 K C 1.117 177.864 176.600 0.245 0.000 1.015 203 K CA 0.753 57.135 56.287 0.158 0.000 0.949 203 K CB 0.744 33.234 32.500 -0.016 0.000 0.976 203 K HN 0.572 nan 8.250 nan 0.000 0.472 204 G N 1.724 110.643 108.800 0.199 0.000 2.153 204 G HA2 -0.321 3.636 3.960 -0.006 0.000 0.252 204 G HA3 -0.321 3.636 3.960 -0.006 0.000 0.252 204 G C -0.270 174.622 174.900 -0.014 0.000 0.994 204 G CA 0.234 45.413 45.100 0.133 0.000 0.698 204 G HN 0.654 nan 8.290 nan 0.000 0.521 205 Y N 1.011 121.107 120.300 -0.341 0.000 2.717 205 Y HA 0.365 4.911 4.550 -0.006 0.000 0.330 205 Y C 1.298 176.933 175.900 -0.441 0.000 1.217 205 Y CA 0.217 57.827 58.100 -0.817 0.000 1.506 205 Y CB 0.393 38.203 38.460 -1.084 0.000 1.268 205 Y HN 0.233 nan 8.280 nan 0.000 0.561 206 R N 3.888 123.718 120.500 -1.116 0.000 2.616 206 R HA 0.281 4.617 4.340 -0.006 0.000 0.427 206 R C 0.563 176.313 176.300 -0.917 0.000 1.030 206 R CA 0.085 55.715 56.100 -0.783 0.000 1.133 206 R CB 0.556 30.677 30.300 -0.298 0.000 1.444 206 R HN 0.806 nan 8.270 nan 0.000 0.578 207 G N -0.715 107.035 108.800 -1.750 0.000 2.616 207 G HA2 0.285 4.242 3.960 -0.006 0.000 0.268 207 G HA3 0.285 4.242 3.960 -0.006 0.000 0.268 207 G C 1.016 175.637 174.900 -0.464 0.000 1.213 207 G CA -0.183 44.397 45.100 -0.866 0.000 0.926 207 G HN 0.166 nan 8.290 nan 0.000 0.523 208 G N -1.195 107.483 108.800 -0.203 0.000 2.479 208 G HA2 -0.121 3.836 3.960 -0.006 0.000 0.220 208 G HA3 -0.121 3.836 3.960 -0.006 0.000 0.220 208 G C 1.275 176.162 174.900 -0.022 0.000 1.115 208 G CA 1.514 46.537 45.100 -0.129 0.000 0.757 208 G HN 0.623 nan 8.290 nan 0.000 0.560 209 T N 0.731 115.397 114.554 0.186 0.000 3.188 209 T HA 0.167 4.513 4.350 -0.006 0.000 0.250 209 T C 0.967 175.853 174.700 0.311 0.000 1.077 209 T CA -0.552 61.681 62.100 0.220 0.000 0.967 209 T CB -0.049 69.068 68.868 0.415 0.000 1.006 209 T HN 0.570 nan 8.240 nan 0.000 0.552 210 R N 1.441 122.106 120.500 0.275 0.000 2.570 210 R HA 0.402 4.738 4.340 -0.006 0.000 0.277 210 R C 0.579 177.008 176.300 0.215 0.000 1.039 210 R CA -0.488 55.797 56.100 0.308 0.000 1.065 210 R CB 0.037 30.317 30.300 -0.033 0.000 0.964 210 R HN 0.108 nan 8.270 nan 0.000 0.428 211 G N 2.811 111.827 108.800 0.360 0.000 2.224 211 G HA2 0.020 3.977 3.960 -0.006 0.000 0.239 211 G HA3 0.020 3.977 3.960 -0.006 0.000 0.239 211 G C -0.629 174.206 174.900 -0.108 0.000 1.240 211 G CA -0.327 44.764 45.100 -0.016 0.000 0.896 211 G HN 0.636 nan 8.290 nan 0.000 0.496 212 K N 1.128 121.501 120.400 -0.045 0.000 2.482 212 K HA 0.590 4.906 4.320 -0.006 0.000 0.257 212 K C -0.775 175.837 176.600 0.020 0.000 0.969 212 K CA -0.846 55.409 56.287 -0.052 0.000 0.842 212 K CB 2.564 35.093 32.500 0.048 0.000 1.359 212 K HN 0.373 nan 8.250 nan 0.000 0.441 213 I N 0.683 121.230 120.570 -0.038 0.000 2.569 213 I HA 0.446 4.613 4.170 -0.006 0.000 0.296 213 I C -1.275 174.902 176.117 0.101 0.000 1.028 213 I CA -0.785 60.554 61.300 0.065 0.000 1.082 213 I CB 1.365 39.340 38.000 -0.041 0.000 1.264 213 I HN 0.443 nan 8.210 nan 0.000 0.429 214 W N 5.734 127.061 121.300 0.045 0.000 2.882 214 W HA 0.767 5.424 4.660 -0.005 0.000 0.345 214 W C -0.747 175.875 176.519 0.172 0.000 1.125 214 W CA -0.541 56.878 57.345 0.124 0.000 1.167 214 W CB 1.496 31.064 29.460 0.180 0.000 1.431 214 W HN 0.174 nan 8.180 nan 0.000 0.543 215 I N 0.908 121.728 120.570 0.417 0.000 2.802 215 I HA 0.263 4.429 4.170 -0.006 0.000 0.298 215 I C -0.626 175.516 176.117 0.042 0.000 1.176 215 I CA -0.950 60.485 61.300 0.225 0.000 1.025 215 I CB 1.976 40.034 38.000 0.097 0.000 1.243 215 I HN 0.414 nan 8.210 nan 0.000 0.424 216 E N 4.206 124.243 120.200 -0.271 0.000 2.331 216 E HA 0.265 4.611 4.350 -0.006 0.000 0.272 216 E C 0.112 176.528 176.600 -0.307 0.000 1.036 216 E CA -0.189 55.764 56.400 -0.745 0.000 0.864 216 E CB 1.250 30.477 29.700 -0.788 0.000 1.035 216 E HN 0.506 nan 8.360 nan 0.000 0.408 217 V N 0.813 120.565 119.914 -0.270 0.000 3.562 217 V HA 0.330 4.446 4.120 -0.006 0.000 0.270 217 V C 0.089 176.121 176.094 -0.103 0.000 1.418 217 V CA 0.028 62.254 62.300 -0.124 0.000 1.033 217 V CB 0.220 32.000 31.823 -0.071 0.000 0.820 217 V HN 0.598 nan 8.190 nan 0.000 0.441 218 N N 1.318 119.935 118.700 -0.138 0.000 2.732 218 N HA 0.165 4.902 4.740 -0.006 0.000 0.247 218 N C 0.284 175.754 175.510 -0.067 0.000 1.305 218 N CA 0.530 53.532 53.050 -0.079 0.000 0.762 218 N CB 0.892 39.345 38.487 -0.057 0.000 1.361 218 N HN 0.479 nan 8.380 nan 0.000 0.545 219 S N 1.012 116.683 115.700 -0.048 0.000 3.217 219 S HA -0.154 4.313 4.470 -0.006 0.000 0.324 219 S C 1.176 175.801 174.600 0.041 0.000 0.758 219 S CA 1.254 59.455 58.200 0.002 0.000 1.284 219 S CB -1.718 61.501 63.200 0.031 0.000 0.799 219 S HN 1.259 nan 8.310 nan 0.000 0.409 220 G N -1.031 107.781 108.800 0.020 0.000 3.465 220 G HA2 0.357 4.313 3.960 -0.006 0.000 0.219 220 G HA3 0.357 4.313 3.960 -0.006 0.000 0.219 220 G C 0.093 175.110 174.900 0.195 0.000 0.984 220 G CA -0.136 45.070 45.100 0.177 0.000 0.864 220 G HN 1.691 nan 8.290 nan 0.000 0.485 221 A N 0.708 123.505 122.820 -0.038 0.000 2.362 221 A HA 0.766 5.082 4.320 -0.006 0.000 0.276 221 A C -0.840 176.661 177.584 -0.139 0.000 1.153 221 A CA 0.061 52.043 52.037 -0.091 0.000 0.813 221 A CB 0.124 19.045 19.000 -0.132 0.000 1.081 221 A HN 0.375 nan 8.150 nan 0.000 0.507 222 F N 1.231 121.326 119.950 0.242 0.000 2.522 222 F HA 0.633 5.157 4.527 -0.005 0.000 0.324 222 F C 0.428 176.537 175.800 0.515 0.000 1.077 222 F CA -0.424 57.834 58.000 0.430 0.000 0.944 222 F CB 2.350 41.662 39.000 0.520 0.000 1.175 222 F HN 0.568 nan 8.300 nan 0.000 0.468 223 K N 2.759 123.498 120.400 0.566 0.000 2.482 223 K HA 0.329 4.645 4.320 -0.006 0.000 0.251 223 K C -1.264 175.297 176.600 -0.066 0.000 0.936 223 K CA -0.851 55.589 56.287 0.255 0.000 0.791 223 K CB 1.938 34.485 32.500 0.077 0.000 1.213 223 K HN 0.683 nan 8.250 nan 0.000 0.428 224 K N 5.431 125.338 120.400 -0.821 0.000 2.379 224 K HA 0.115 4.432 4.320 -0.006 0.000 0.284 224 K C 0.845 177.131 176.600 -0.523 0.000 1.044 224 K CA -0.031 55.505 56.287 -1.250 0.000 0.974 224 K CB 0.302 31.775 32.500 -1.712 0.000 0.962 224 K HN 0.701 nan 8.250 nan 0.000 0.474 225 I N 0.800 121.164 120.570 -0.343 0.000 4.323 225 I HA 0.176 4.343 4.170 -0.006 0.000 0.328 225 I C -0.677 175.332 176.117 -0.180 0.000 1.310 225 I CA -0.545 60.642 61.300 -0.189 0.000 1.186 225 I CB 1.052 39.004 38.000 -0.081 0.000 1.130 225 I HN 0.072 nan 8.210 nan 0.000 0.411 226 V N 2.776 122.550 119.914 -0.233 0.000 2.447 226 V HA 0.475 4.592 4.120 -0.006 0.000 0.292 226 V C -1.440 174.482 176.094 -0.286 0.000 1.021 226 V CA -0.232 61.910 62.300 -0.263 0.000 0.850 226 V CB 1.496 33.106 31.823 -0.356 0.000 1.005 226 V HN 0.235 nan 8.190 nan 0.000 0.426 227 D N 5.115 125.364 120.400 -0.252 0.000 2.668 227 D HA 0.367 5.004 4.640 -0.006 0.000 0.247 227 D C -0.315 175.871 176.300 -0.189 0.000 1.268 227 D CA -0.232 53.637 54.000 -0.217 0.000 0.842 227 D CB 0.875 41.551 40.800 -0.206 0.000 1.399 227 D HN 0.388 nan 8.370 nan 0.000 0.530 228 M N 0.112 119.583 119.600 -0.215 0.000 2.114 228 M HA 0.155 4.632 4.480 -0.006 0.000 0.280 228 M C 1.901 178.108 176.300 -0.156 0.000 1.209 228 M CA -0.280 54.911 55.300 -0.182 0.000 1.044 228 M CB 1.035 33.504 32.600 -0.219 0.000 1.404 228 M HN 0.139 nan 8.290 nan 0.000 0.499 229 S N -0.510 115.113 115.700 -0.129 0.000 2.382 229 S HA -0.075 4.391 4.470 -0.006 0.000 0.228 229 S C 0.823 175.335 174.600 -0.147 0.000 1.027 229 S CA 1.585 59.719 58.200 -0.110 0.000 0.991 229 S CB -0.284 62.870 63.200 -0.076 0.000 0.823 229 S HN 0.838 nan 8.310 nan 0.000 0.469 230 T N -1.123 113.344 114.554 -0.145 0.000 2.910 230 T HA 0.432 4.778 4.350 -0.006 0.000 0.279 230 T C -0.213 174.417 174.700 -0.117 0.000 0.989 230 T CA -0.676 61.341 62.100 -0.137 0.000 0.968 230 T CB 0.655 69.477 68.868 -0.077 0.000 1.135 230 T HN 0.370 nan 8.240 nan 0.000 0.562 231 H N -0.504 118.481 119.070 -0.141 0.000 2.803 231 H HA 0.477 5.030 4.556 -0.006 0.000 0.330 231 H C -0.872 174.412 175.328 -0.074 0.000 1.057 231 H CA -0.138 55.867 56.048 -0.072 0.000 1.458 231 H CB 0.077 29.875 29.762 0.061 0.000 1.470 231 H HN 0.465 nan 8.280 nan 0.000 0.560 232 V N 5.816 125.294 119.914 -0.727 0.000 2.459 232 V HA 0.394 4.511 4.120 -0.006 0.000 0.295 232 V C -0.259 175.425 176.094 -0.683 0.000 1.029 232 V CA -0.108 61.835 62.300 -0.595 0.000 0.874 232 V CB 1.305 32.756 31.823 -0.620 0.000 0.985 232 V HN 1.030 nan 8.190 nan 0.000 0.438 233 S N 2.162 117.669 115.700 -0.321 0.000 2.667 233 S HA 0.652 5.118 4.470 -0.006 0.000 0.292 233 S C -0.145 174.455 174.600 0.000 0.000 1.126 233 S CA -0.373 57.751 58.200 -0.127 0.000 0.881 233 S CB 1.789 65.032 63.200 0.072 0.000 1.132 233 S HN 1.006 nan 8.310 nan 0.000 0.492 234 S N 1.828 117.515 115.700 -0.023 0.000 3.405 234 S HA -0.074 4.392 4.470 -0.006 0.000 0.373 234 S C -2.263 172.278 174.600 -0.098 0.000 0.939 234 S CA 0.627 58.774 58.200 -0.089 0.000 1.295 234 S CB -1.827 61.421 63.200 0.081 0.000 0.919 234 S HN 0.786 nan 8.310 nan 0.000 0.535 235 P HA 0.561 nan 4.420 nan 0.000 0.278 235 P C -0.118 177.191 177.300 0.015 0.000 1.238 235 P CA -0.354 62.733 63.100 -0.022 0.000 0.794 235 P CB 1.431 33.101 31.700 -0.051 0.000 0.955 236 V N -0.175 119.822 119.914 0.138 0.000 3.216 236 V HA 0.602 4.718 4.120 -0.006 0.000 0.302 236 V C -0.855 175.371 176.094 0.220 0.000 1.286 236 V CA -1.041 61.355 62.300 0.160 0.000 1.048 236 V CB 2.126 34.037 31.823 0.147 0.000 1.081 236 V HN 0.336 nan 8.190 nan 0.000 0.442 237 I N 1.771 122.454 120.570 0.188 0.000 2.418 237 I HA 0.631 4.797 4.170 -0.006 0.000 0.287 237 I C -1.096 175.115 176.117 0.156 0.000 1.008 237 I CA -0.888 60.530 61.300 0.196 0.000 1.104 237 I CB 2.102 40.180 38.000 0.130 0.000 1.264 237 I HN 0.476 nan 8.210 nan 0.000 0.438 238 V N 6.081 126.122 119.914 0.212 0.000 2.409 238 V HA 0.710 4.826 4.120 -0.006 0.000 0.290 238 V C 0.721 176.916 176.094 0.170 0.000 1.017 238 V CA 0.175 62.535 62.300 0.100 0.000 0.841 238 V CB 0.692 32.459 31.823 -0.093 0.000 1.003 238 V HN 1.123 nan 8.190 nan 0.000 0.426 239 G N 4.623 113.485 108.800 0.103 0.000 2.559 239 G HA2 -0.288 3.669 3.960 -0.006 0.000 0.282 239 G HA3 -0.288 3.669 3.960 -0.006 0.000 0.282 239 G C 0.156 175.096 174.900 0.066 0.000 1.177 239 G CA 0.697 45.886 45.100 0.148 0.000 0.960 239 G HN 0.835 nan 8.290 nan 0.000 0.540 240 H N 1.638 120.777 119.070 0.115 0.000 2.505 240 H HA 0.560 5.113 4.556 -0.006 0.000 0.260 240 H C 0.682 176.067 175.328 0.095 0.000 1.168 240 H CA -0.100 56.006 56.048 0.097 0.000 0.945 240 H CB 0.393 30.198 29.762 0.072 0.000 1.800 240 H HN 0.424 nan 8.280 nan 0.000 0.586 241 R N 0.402 121.008 120.500 0.176 0.000 2.744 241 R HA 0.518 4.855 4.340 -0.006 0.000 0.279 241 R C -0.930 175.436 176.300 0.110 0.000 0.977 241 R CA -0.895 55.259 56.100 0.089 0.000 0.906 241 R CB 2.560 32.856 30.300 -0.006 0.000 1.197 241 R HN 0.103 nan 8.270 nan 0.000 0.463 242 I N 2.875 123.453 120.570 0.014 0.000 2.321 242 I HA 0.289 4.455 4.170 -0.006 0.000 0.291 242 I C -0.872 175.214 176.117 -0.052 0.000 0.998 242 I CA -0.624 60.747 61.300 0.119 0.000 1.227 242 I CB 0.686 38.799 38.000 0.188 0.000 1.368 242 I HN 0.358 nan 8.210 nan 0.000 0.466 243 Y N 6.840 127.143 120.300 0.004 0.000 2.360 243 Y HA 0.623 5.169 4.550 -0.006 0.000 0.337 243 Y C -0.076 175.774 175.900 -0.085 0.000 1.039 243 Y CA -0.741 57.247 58.100 -0.187 0.000 1.109 243 Y CB 1.273 39.650 38.460 -0.137 0.000 1.201 243 Y HN 0.437 nan 8.280 nan 0.000 0.458 244 F N -0.130 119.882 119.950 0.104 0.000 2.754 244 F HA 0.830 5.353 4.527 -0.006 0.000 0.320 244 F C -1.666 174.169 175.800 0.057 0.000 1.156 244 F CA -1.985 56.037 58.000 0.037 0.000 0.950 244 F CB 0.949 39.930 39.000 -0.032 0.000 1.388 244 F HN 0.163 nan 8.300 nan 0.000 0.485 245 I N 0.622 121.407 120.570 0.358 0.000 2.562 245 I HA 0.723 4.889 4.170 -0.006 0.000 0.301 245 I C -0.378 175.898 176.117 0.266 0.000 1.003 245 I CA -0.631 60.824 61.300 0.257 0.000 1.127 245 I CB 2.208 40.305 38.000 0.161 0.000 1.304 245 I HN 0.861 nan 8.210 nan 0.000 0.446 246 T N 1.703 116.386 114.554 0.214 0.000 2.827 246 T HA 0.221 4.568 4.350 -0.006 0.000 0.328 246 T C -1.872 172.868 174.700 0.067 0.000 1.598 246 T CA -0.677 61.471 62.100 0.079 0.000 1.043 246 T CB 1.308 70.139 68.868 -0.060 0.000 1.447 246 T HN 0.753 nan 8.240 nan 0.000 0.491 247 D N 2.549 122.975 120.400 0.043 0.000 2.891 247 D HA 0.186 4.822 4.640 -0.006 0.000 0.312 247 D C 1.189 177.511 176.300 0.037 0.000 1.354 247 D CA -0.445 53.578 54.000 0.038 0.000 0.838 247 D CB -0.136 40.709 40.800 0.075 0.000 1.117 247 D HN 0.372 nan 8.370 nan 0.000 0.473 248 I N 0.460 121.010 120.570 -0.034 0.000 2.423 248 I HA -0.202 3.964 4.170 -0.006 0.000 0.254 248 I C 0.667 176.796 176.117 0.019 0.000 1.151 248 I CA 1.419 62.688 61.300 -0.051 0.000 1.421 248 I CB 0.237 38.140 38.000 -0.161 0.000 1.079 248 I HN -0.093 nan 8.210 nan 0.000 0.431 249 D N -0.117 120.328 120.400 0.075 0.000 2.339 249 D HA 0.249 4.885 4.640 -0.006 0.000 0.217 249 D C 1.632 177.995 176.300 0.105 0.000 1.050 249 D CA 0.974 55.032 54.000 0.097 0.000 0.856 249 D CB 0.640 41.520 40.800 0.133 0.000 0.922 249 D HN 0.466 nan 8.370 nan 0.000 0.518 250 G N -0.038 108.836 108.800 0.122 0.000 2.284 250 G HA2 -0.184 3.772 3.960 -0.006 0.000 0.201 250 G HA3 -0.184 3.772 3.960 -0.006 0.000 0.201 250 G C 0.046 175.096 174.900 0.250 0.000 0.998 250 G CA -0.349 44.852 45.100 0.168 0.000 0.651 250 G HN 0.282 nan 8.290 nan 0.000 0.489 251 F N 0.782 120.698 119.950 -0.056 0.000 2.645 251 F HA 0.608 5.132 4.527 -0.006 0.000 0.310 251 F C 0.484 175.987 175.800 -0.494 0.000 1.102 251 F CA -0.113 57.703 58.000 -0.306 0.000 0.952 251 F CB 1.433 40.332 39.000 -0.169 0.000 1.326 251 F HN 0.377 nan 8.300 nan 0.000 0.456 252 G N 3.569 111.440 108.800 -1.549 0.000 2.343 252 G HA2 0.481 4.437 3.960 -0.006 0.000 0.254 252 G HA3 0.481 4.437 3.960 -0.006 0.000 0.254 252 G C -1.167 173.699 174.900 -0.058 0.000 1.277 252 G CA -0.118 44.551 45.100 -0.719 0.000 0.909 252 G HN 0.425 nan 8.290 nan 0.000 0.502 253 Q N 0.913 120.762 119.800 0.082 0.000 2.501 253 Q HA 0.400 4.737 4.340 -0.006 0.000 0.288 253 Q C -0.453 175.561 176.000 0.023 0.000 1.051 253 Q CA -0.735 55.082 55.803 0.023 0.000 0.788 253 Q CB 2.415 31.092 28.738 -0.101 0.000 1.469 253 Q HN 0.540 nan 8.270 nan 0.000 0.416 254 I N 1.344 121.773 120.570 -0.235 0.000 2.396 254 I HA 0.370 4.537 4.170 -0.006 0.000 0.292 254 I C -0.739 175.182 176.117 -0.326 0.000 0.999 254 I CA -0.378 60.776 61.300 -0.244 0.000 1.310 254 I CB 0.542 38.262 38.000 -0.467 0.000 1.404 254 I HN 0.436 nan 8.210 nan 0.000 0.496 255 Y N 2.657 122.722 120.300 -0.391 0.000 2.705 255 Y HA 0.636 5.183 4.550 -0.006 0.000 0.332 255 Y C 0.029 175.413 175.900 -0.859 0.000 1.157 255 Y CA -0.718 57.114 58.100 -0.447 0.000 1.091 255 Y CB 2.131 40.304 38.460 -0.478 0.000 1.301 255 Y HN 0.587 nan 8.280 nan 0.000 0.488 256 S N -0.659 114.737 115.700 -0.507 0.000 2.567 256 S HA 0.817 5.283 4.470 -0.006 0.000 0.270 256 S C -1.021 173.429 174.600 -0.249 0.000 1.152 256 S CA -0.417 57.361 58.200 -0.702 0.000 0.835 256 S CB 1.854 64.282 63.200 -1.287 0.000 1.115 256 S HN 1.023 nan 8.310 nan 0.000 0.459 257 T N -1.607 112.868 114.554 -0.132 0.000 2.816 257 T HA 0.713 5.060 4.350 -0.006 0.000 0.299 257 T C -1.130 173.572 174.700 0.003 0.000 1.230 257 T CA -0.552 61.555 62.100 0.012 0.000 1.007 257 T CB 0.894 69.840 68.868 0.131 0.000 1.289 257 T HN 0.829 nan 8.240 nan 0.000 0.508 258 D N 0.506 120.925 120.400 0.032 0.000 2.414 258 D HA 0.234 4.870 4.640 -0.006 0.000 0.251 258 D C 1.176 177.515 176.300 0.065 0.000 1.252 258 D CA -0.925 53.108 54.000 0.054 0.000 0.999 258 D CB 0.160 40.993 40.800 0.054 0.000 1.093 258 D HN 0.524 nan 8.370 nan 0.000 0.515 259 L N -0.483 120.790 121.223 0.083 0.000 2.786 259 L HA 0.043 4.379 4.340 -0.006 0.000 0.250 259 L C 0.316 177.216 176.870 0.049 0.000 1.151 259 L CA 0.619 55.503 54.840 0.074 0.000 0.910 259 L CB -0.581 41.532 42.059 0.091 0.000 1.082 259 L HN 0.350 nan 8.230 nan 0.000 0.433 260 D N -0.482 119.940 120.400 0.037 0.000 2.500 260 D HA 0.141 4.777 4.640 -0.006 0.000 0.217 260 D C 1.542 177.840 176.300 -0.003 0.000 1.159 260 D CA 0.807 54.814 54.000 0.012 0.000 0.828 260 D CB 1.335 42.141 40.800 0.010 0.000 1.039 260 D HN 0.272 nan 8.370 nan 0.000 0.512 261 G N 1.630 110.438 108.800 0.014 0.000 2.179 261 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.260 261 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.260 261 G C 0.536 175.445 174.900 0.014 0.000 0.977 261 G CA 0.238 45.343 45.100 0.007 0.000 0.641 261 G HN 0.146 nan 8.290 nan 0.000 0.533 262 K N 0.427 120.835 120.400 0.015 0.000 2.109 262 K HA 0.499 4.816 4.320 -0.006 0.000 0.243 262 K C 0.505 177.118 176.600 0.022 0.000 1.006 262 K CA -0.119 56.175 56.287 0.012 0.000 0.917 262 K CB 0.416 32.919 32.500 0.006 0.000 1.081 262 K HN 0.203 nan 8.250 nan 0.000 0.468 263 D N 0.734 121.144 120.400 0.017 0.000 2.828 263 D HA -0.172 4.464 4.640 -0.006 0.000 0.241 263 D C -0.956 175.357 176.300 0.022 0.000 1.142 263 D CA 0.180 54.188 54.000 0.014 0.000 0.755 263 D CB -0.859 39.949 40.800 0.012 0.000 1.014 263 D HN 0.382 nan 8.370 nan 0.000 0.420 264 L N 1.399 122.646 121.223 0.039 0.000 2.456 264 L HA 0.482 4.819 4.340 -0.006 0.000 0.272 264 L C 0.323 177.219 176.870 0.043 0.000 1.189 264 L CA 0.617 55.503 54.840 0.076 0.000 0.846 264 L CB 0.570 42.695 42.059 0.110 0.000 1.111 264 L HN 0.283 nan 8.230 nan 0.000 0.475 265 R N 3.329 123.850 120.500 0.035 0.000 2.626 265 R HA 0.386 4.722 4.340 -0.006 0.000 0.274 265 R C -1.357 174.783 176.300 -0.266 0.000 1.031 265 R CA -0.996 55.023 56.100 -0.136 0.000 0.898 265 R CB 1.755 31.899 30.300 -0.260 0.000 1.222 265 R HN 0.539 nan 8.270 nan 0.000 0.455 266 K N 1.553 121.669 120.400 -0.474 0.000 2.240 266 K HA 0.246 4.562 4.320 -0.006 0.000 0.271 266 K C -0.354 175.860 176.600 -0.643 0.000 1.018 266 K CA -0.360 55.456 56.287 -0.784 0.000 0.874 266 K CB 0.655 32.780 32.500 -0.626 0.000 1.098 266 K HN 0.650 nan 8.250 nan 0.000 0.458 267 H N 0.782 119.533 119.070 -0.532 0.000 2.586 267 H HA 0.115 4.668 4.556 -0.006 0.000 0.273 267 H C -0.193 174.855 175.328 -0.466 0.000 0.997 267 H CA 0.310 56.138 56.048 -0.367 0.000 1.177 267 H CB 0.919 30.490 29.762 -0.318 0.000 1.471 267 H HN 0.679 nan 8.280 nan 0.000 0.538 268 T N -3.231 111.009 114.554 -0.523 0.000 2.864 268 T HA 0.566 4.912 4.350 -0.006 0.000 0.299 268 T C 0.033 174.325 174.700 -0.681 0.000 1.166 268 T CA -0.968 60.680 62.100 -0.753 0.000 1.007 268 T CB 2.060 70.116 68.868 -1.354 0.000 1.219 268 T HN -0.101 nan 8.240 nan 0.000 0.506 269 S N 0.503 115.780 115.700 -0.705 0.000 2.794 269 S HA 0.375 4.842 4.470 -0.006 0.000 0.244 269 S C -0.278 174.134 174.600 -0.313 0.000 1.045 269 S CA -0.802 57.152 58.200 -0.409 0.000 1.114 269 S CB -0.597 62.447 63.200 -0.259 0.000 1.085 269 S HN 0.606 nan 8.310 nan 0.000 0.488 270 F N 1.953 121.841 119.950 -0.102 0.000 2.586 270 F HA 0.142 4.666 4.527 -0.006 0.000 0.344 270 F C 2.025 177.600 175.800 -0.376 0.000 1.188 270 F CA 0.595 58.535 58.000 -0.101 0.000 1.359 270 F CB 0.627 39.675 39.000 0.081 0.000 1.129 270 F HN 0.310 nan 8.300 nan 0.000 0.609 271 T N -4.650 109.730 114.554 -0.290 0.000 3.147 271 T HA 0.015 4.361 4.350 -0.006 0.000 0.275 271 T C 0.655 174.983 174.700 -0.620 0.000 0.879 271 T CA 0.189 61.798 62.100 -0.819 0.000 0.863 271 T CB -0.183 68.422 68.868 -0.439 0.000 1.236 271 T HN 0.573 nan 8.240 nan 0.000 0.582 272 D N 1.048 121.314 120.400 -0.224 0.000 2.214 272 D HA 0.116 4.752 4.640 -0.006 0.000 0.217 272 D C -0.010 176.082 176.300 -0.346 0.000 0.973 272 D CA 0.778 54.612 54.000 -0.276 0.000 0.880 272 D CB -0.267 40.443 40.800 -0.151 0.000 1.031 272 D HN 0.555 nan 8.370 nan 0.000 0.468 273 Y N -1.569 118.950 120.300 0.364 0.000 2.504 273 Y HA 0.359 4.906 4.550 -0.006 0.000 0.344 273 Y C -0.733 175.406 175.900 0.398 0.000 1.023 273 Y CA -1.523 56.802 58.100 0.376 0.000 1.020 273 Y CB 1.254 39.803 38.460 0.148 0.000 1.282 273 Y HN -0.227 nan 8.280 nan 0.000 0.454 274 Y N 4.211 124.598 120.300 0.144 0.000 2.702 274 Y HA 0.080 4.627 4.550 -0.006 0.000 0.336 274 Y C -1.960 173.973 175.900 0.055 0.000 1.235 274 Y CA -1.675 56.386 58.100 -0.065 0.000 1.492 274 Y CB 0.066 38.443 38.460 -0.139 0.000 1.308 274 Y HN 0.252 nan 8.280 nan 0.000 0.589 275 P HA 0.386 nan 4.420 nan 0.000 0.284 275 P C -0.730 176.690 177.300 0.199 0.000 1.258 275 P CA -0.472 62.662 63.100 0.056 0.000 0.824 275 P CB 1.713 33.279 31.700 -0.223 0.000 1.038 276 R N -0.082 120.591 120.500 0.289 0.000 2.764 276 R HA 0.287 4.624 4.340 -0.006 0.000 0.270 276 R C -0.590 175.967 176.300 0.428 0.000 1.014 276 R CA -0.975 55.321 56.100 0.326 0.000 0.904 276 R CB -0.090 30.399 30.300 0.316 0.000 1.236 276 R HN 0.732 nan 8.270 nan 0.000 0.466 277 H N 0.369 119.605 119.070 0.277 0.000 2.765 277 H HA -0.138 4.415 4.556 -0.006 0.000 0.332 277 H C -0.828 174.680 175.328 0.300 0.000 1.180 277 H CA 0.211 56.432 56.048 0.289 0.000 1.142 277 H CB -1.017 28.914 29.762 0.281 0.000 1.576 277 H HN 0.373 nan 8.280 nan 0.000 0.420 278 L N 2.001 123.342 121.223 0.197 0.000 2.453 278 L HA 0.203 4.539 4.340 -0.006 0.000 0.272 278 L C 0.866 177.816 176.870 0.133 0.000 1.182 278 L CA 0.665 55.627 54.840 0.202 0.000 0.858 278 L CB 0.716 42.864 42.059 0.149 0.000 1.120 278 L HN 0.635 nan 8.230 nan 0.000 0.474 279 N N 0.343 119.165 118.700 0.203 0.000 2.484 279 N HA 0.536 5.273 4.740 -0.006 0.000 0.269 279 N C -1.306 174.327 175.510 0.205 0.000 1.237 279 N CA -0.517 52.650 53.050 0.195 0.000 0.838 279 N CB 2.553 41.181 38.487 0.234 0.000 1.593 279 N HN 0.486 nan 8.380 nan 0.000 0.485 280 T N -1.073 113.595 114.554 0.189 0.000 2.787 280 T HA 0.256 4.603 4.350 -0.006 0.000 0.297 280 T C -1.227 173.554 174.700 0.136 0.000 1.221 280 T CA -0.473 61.714 62.100 0.144 0.000 1.006 280 T CB 1.132 70.054 68.868 0.091 0.000 1.328 280 T HN 0.687 nan 8.240 nan 0.000 0.509 281 D N -0.686 119.751 120.400 0.062 0.000 2.469 281 D HA 0.333 4.970 4.640 -0.006 0.000 0.213 281 D C 1.323 177.602 176.300 -0.036 0.000 1.135 281 D CA 0.864 54.860 54.000 -0.007 0.000 0.834 281 D CB 0.235 40.945 40.800 -0.150 0.000 1.009 281 D HN 1.057 nan 8.370 nan 0.000 0.507 282 G N 0.575 109.371 108.800 -0.006 0.000 2.284 282 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.201 282 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.201 282 G C 1.331 176.213 174.900 -0.029 0.000 0.998 282 G CA 0.125 45.221 45.100 -0.007 0.000 0.651 282 G HN 0.364 nan 8.290 nan 0.000 0.489 283 R N -0.316 120.152 120.500 -0.053 0.000 2.191 283 R HA 0.375 4.712 4.340 -0.006 0.000 0.187 283 R C 0.959 177.207 176.300 -0.087 0.000 1.078 283 R CA 0.217 56.277 56.100 -0.066 0.000 1.139 283 R CB 0.393 30.650 30.300 -0.071 0.000 1.120 283 R HN 0.272 nan 8.270 nan 0.000 0.536 284 R N 0.446 120.908 120.500 -0.063 0.000 2.787 284 R HA 0.515 4.852 4.340 -0.006 0.000 0.271 284 R C -0.684 175.626 176.300 0.017 0.000 0.993 284 R CA -0.563 55.508 56.100 -0.049 0.000 0.993 284 R CB 1.794 32.081 30.300 -0.021 0.000 1.155 284 R HN -0.033 nan 8.270 nan 0.000 0.486 285 I N 1.979 122.597 120.570 0.080 0.000 2.404 285 I HA 0.306 4.472 4.170 -0.006 0.000 0.293 285 I C -0.969 175.331 176.117 0.305 0.000 0.992 285 I CA -0.911 60.505 61.300 0.194 0.000 1.149 285 I CB 1.678 39.825 38.000 0.246 0.000 1.315 285 I HN 0.232 nan 8.210 nan 0.000 0.446 286 L N 7.764 129.168 121.223 0.301 0.000 2.330 286 L HA 0.737 5.074 4.340 -0.006 0.000 0.271 286 L C -0.991 176.131 176.870 0.420 0.000 1.013 286 L CA -0.268 54.738 54.840 0.276 0.000 0.816 286 L CB 1.636 43.838 42.059 0.239 0.000 1.287 286 L HN 0.523 nan 8.230 nan 0.000 0.435 287 F N -0.167 119.926 119.950 0.238 0.000 2.770 287 F HA 0.713 5.237 4.527 -0.006 0.000 0.313 287 F C -1.175 174.764 175.800 0.232 0.000 1.154 287 F CA -0.818 57.327 58.000 0.242 0.000 0.923 287 F CB 0.662 39.786 39.000 0.206 0.000 1.301 287 F HN 0.461 nan 8.300 nan 0.000 0.449 288 S N 1.024 116.977 115.700 0.421 0.000 2.621 288 S HA 0.852 5.318 4.470 -0.006 0.000 0.302 288 S C -1.186 173.627 174.600 0.356 0.000 1.093 288 S CA -0.802 57.553 58.200 0.257 0.000 1.017 288 S CB 2.167 65.467 63.200 0.167 0.000 1.077 288 S HN 1.031 nan 8.310 nan 0.000 0.517 289 K N -0.073 120.479 120.400 0.254 0.000 2.570 289 K HA 0.472 4.789 4.320 -0.006 0.000 0.256 289 K C 0.321 176.972 176.600 0.086 0.000 0.939 289 K CA 0.083 56.482 56.287 0.187 0.000 0.833 289 K CB 0.841 33.380 32.500 0.065 0.000 1.318 289 K HN 1.417 nan 8.250 nan 0.000 0.433 290 G N 2.393 111.123 108.800 -0.117 0.000 2.379 290 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.297 290 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.297 290 G C 0.783 175.483 174.900 -0.333 0.000 1.004 290 G CA 1.038 45.780 45.100 -0.596 0.000 0.921 290 G HN 1.665 nan 8.290 nan 0.000 0.511 291 G N -2.619 106.071 108.800 -0.183 0.000 2.143 291 G HA2 0.018 3.975 3.960 -0.006 0.000 0.248 291 G HA3 0.018 3.975 3.960 -0.006 0.000 0.248 291 G C 0.298 175.098 174.900 -0.166 0.000 0.991 291 G CA 0.808 45.815 45.100 -0.155 0.000 0.689 291 G HN 1.710 nan 8.290 nan 0.000 0.522 292 S N -0.613 115.006 115.700 -0.136 0.000 2.632 292 S HA 0.815 5.281 4.470 -0.006 0.000 0.289 292 S C -0.233 174.175 174.600 -0.320 0.000 1.115 292 S CA -0.842 57.191 58.200 -0.278 0.000 0.889 292 S CB 1.732 64.724 63.200 -0.346 0.000 1.116 292 S HN 0.297 nan 8.310 nan 0.000 0.486 293 I N 2.241 122.498 120.570 -0.522 0.000 2.359 293 I HA 0.440 4.606 4.170 -0.006 0.000 0.294 293 I C -1.008 174.685 176.117 -0.706 0.000 0.987 293 I CA -0.436 60.586 61.300 -0.464 0.000 1.225 293 I CB 0.442 38.189 38.000 -0.422 0.000 1.366 293 I HN 0.611 nan 8.210 nan 0.000 0.466 294 Y N 5.298 125.240 120.300 -0.597 0.000 2.598 294 Y HA 0.623 5.169 4.550 -0.006 0.000 0.340 294 Y C 0.179 175.747 175.900 -0.553 0.000 1.038 294 Y CA -0.742 56.959 58.100 -0.664 0.000 1.100 294 Y CB 2.349 40.165 38.460 -1.075 0.000 1.281 294 Y HN 0.305 nan 8.280 nan 0.000 0.488 295 I N 1.936 122.485 120.570 -0.035 0.000 2.545 295 I HA 0.285 4.451 4.170 -0.006 0.000 0.292 295 I C -1.628 174.695 176.117 0.343 0.000 1.040 295 I CA -0.857 60.513 61.300 0.117 0.000 1.068 295 I CB 2.180 40.222 38.000 0.070 0.000 1.251 295 I HN 0.452 nan 8.210 nan 0.000 0.424 296 F N 6.684 126.772 119.950 0.229 0.000 2.507 296 F HA 0.391 4.914 4.527 -0.006 0.000 0.328 296 F C -0.504 175.337 175.800 0.069 0.000 1.136 296 F CA -0.698 57.428 58.000 0.211 0.000 0.930 296 F CB 1.191 40.360 39.000 0.281 0.000 1.166 296 F HN 0.384 nan 8.300 nan 0.000 0.436 297 N N 7.813 126.193 118.700 -0.533 0.000 2.457 297 N HA 0.321 5.058 4.740 -0.006 0.000 0.250 297 N C -2.149 172.842 175.510 -0.864 0.000 0.982 297 N CA -1.934 50.813 53.050 -0.506 0.000 0.941 297 N CB 1.654 39.999 38.487 -0.238 0.000 1.120 297 N HN 0.300 nan 8.380 nan 0.000 0.505 298 P HA -0.100 nan 4.420 nan 0.000 0.216 298 P C 0.062 177.221 177.300 -0.234 0.000 1.150 298 P CA 1.058 63.809 63.100 -0.582 0.000 0.837 298 P CB 0.271 31.746 31.700 -0.375 0.000 0.786 299 D N -2.215 118.077 120.400 -0.181 0.000 2.371 299 D HA -0.027 4.609 4.640 -0.006 0.000 0.221 299 D C 1.137 177.394 176.300 -0.073 0.000 0.986 299 D CA 1.154 55.105 54.000 -0.081 0.000 0.899 299 D CB -0.381 40.382 40.800 -0.061 0.000 0.902 299 D HN 0.187 nan 8.370 nan 0.000 0.530 300 T N -1.349 113.130 114.554 -0.126 0.000 2.966 300 T HA 0.039 4.385 4.350 -0.006 0.000 0.254 300 T C 0.643 175.308 174.700 -0.058 0.000 0.961 300 T CA -0.153 61.901 62.100 -0.077 0.000 0.915 300 T CB 1.138 69.960 68.868 -0.076 0.000 1.186 300 T HN 0.107 nan 8.240 nan 0.000 0.505 301 E N 0.984 121.095 120.200 -0.149 0.000 2.971 301 E HA -0.209 4.138 4.350 -0.006 0.000 0.278 301 E C 0.005 176.681 176.600 0.127 0.000 1.009 301 E CA 0.524 56.944 56.400 0.033 0.000 0.862 301 E CB -0.690 29.120 29.700 0.183 0.000 1.436 301 E HN 0.430 nan 8.360 nan 0.000 0.434 302 K N 0.906 121.307 120.400 0.002 0.000 2.130 302 K HA 0.561 4.877 4.320 -0.006 0.000 0.268 302 K C -0.434 176.283 176.600 0.194 0.000 0.983 302 K CA -0.483 55.861 56.287 0.094 0.000 0.893 302 K CB 0.737 33.260 32.500 0.038 0.000 1.066 302 K HN 0.152 nan 8.250 nan 0.000 0.450 303 I N 3.564 124.300 120.570 0.277 0.000 2.545 303 I HA 0.283 4.450 4.170 -0.006 0.000 0.292 303 I C -0.842 175.457 176.117 0.304 0.000 1.040 303 I CA -0.648 60.883 61.300 0.385 0.000 1.068 303 I CB 2.089 40.394 38.000 0.507 0.000 1.251 303 I HN 0.695 nan 8.210 nan 0.000 0.424 304 E N 4.922 125.294 120.200 0.287 0.000 2.343 304 E HA 0.379 4.725 4.350 -0.006 0.000 0.278 304 E C -1.406 175.264 176.600 0.116 0.000 0.910 304 E CA -1.219 55.304 56.400 0.205 0.000 0.757 304 E CB 2.449 32.209 29.700 0.101 0.000 1.218 304 E HN 0.403 nan 8.360 nan 0.000 0.435 305 K N 3.497 123.895 120.400 -0.005 0.000 2.322 305 K HA 0.249 4.565 4.320 -0.006 0.000 0.283 305 K C -0.475 175.930 176.600 -0.326 0.000 1.042 305 K CA -0.415 55.592 56.287 -0.466 0.000 0.958 305 K CB 0.575 32.798 32.500 -0.462 0.000 0.984 305 K HN 0.520 nan 8.250 nan 0.000 0.473 306 I N 3.843 124.165 120.570 -0.413 0.000 2.519 306 I HA 0.052 4.219 4.170 -0.006 0.000 0.287 306 I C 0.392 176.297 176.117 -0.354 0.000 1.047 306 I CA -0.450 60.660 61.300 -0.317 0.000 1.381 306 I CB 1.137 38.927 38.000 -0.351 0.000 1.417 306 I HN 0.518 nan 8.210 nan 0.000 0.540 307 E N 6.168 126.216 120.200 -0.252 0.000 2.152 307 E HA 0.215 4.561 4.350 -0.006 0.000 0.285 307 E C 0.152 176.596 176.600 -0.260 0.000 1.043 307 E CA -0.044 56.229 56.400 -0.213 0.000 0.839 307 E CB 1.853 31.496 29.700 -0.095 0.000 1.069 307 E HN 0.461 nan 8.360 nan 0.000 0.399 308 I N 1.317 121.711 120.570 -0.293 0.000 4.033 308 I HA 0.143 4.309 4.170 -0.006 0.000 0.296 308 I C 1.178 177.200 176.117 -0.157 0.000 1.210 308 I CA 0.933 62.075 61.300 -0.264 0.000 1.341 308 I CB -0.140 37.592 38.000 -0.447 0.000 1.369 308 I HN 0.715 nan 8.210 nan 0.000 0.453 309 G N 0.957 109.652 108.800 -0.175 0.000 2.697 309 G HA2 -0.243 3.714 3.960 -0.006 0.000 0.240 309 G HA3 -0.243 3.714 3.960 -0.006 0.000 0.240 309 G C -0.728 174.096 174.900 -0.127 0.000 1.346 309 G CA -0.350 44.676 45.100 -0.124 0.000 0.887 309 G HN 0.249 nan 8.290 nan 0.000 0.569 310 D N -0.324 120.023 120.400 -0.088 0.000 2.533 310 D HA 0.329 4.966 4.640 -0.006 0.000 0.236 310 D C 1.102 177.348 176.300 -0.089 0.000 1.137 310 D CA 0.179 54.130 54.000 -0.081 0.000 0.867 310 D CB 1.136 41.909 40.800 -0.045 0.000 1.170 310 D HN 0.379 nan 8.370 nan 0.000 0.474 311 L N 1.445 122.589 121.223 -0.132 0.000 2.758 311 L HA 0.292 4.629 4.340 -0.006 0.000 0.234 311 L C 0.001 176.848 176.870 -0.038 0.000 1.049 311 L CA 0.581 55.299 54.840 -0.204 0.000 0.908 311 L CB 0.334 42.037 42.059 -0.592 0.000 1.362 311 L HN 0.561 nan 8.230 nan 0.000 0.499 312 E N -1.243 118.952 120.200 -0.010 0.000 2.451 312 E HA 0.304 4.651 4.350 -0.006 0.000 0.295 312 E C -1.498 175.136 176.600 0.058 0.000 0.966 312 E CA -0.090 56.372 56.400 0.104 0.000 0.808 312 E CB 1.504 31.358 29.700 0.258 0.000 1.242 312 E HN -0.182 nan 8.360 nan 0.000 0.412 313 S N 5.274 121.006 115.700 0.052 0.000 2.539 313 S HA 0.414 4.880 4.470 -0.006 0.000 0.235 313 S C -2.229 172.386 174.600 0.026 0.000 1.326 313 S CA -1.017 57.198 58.200 0.025 0.000 1.183 313 S CB 0.631 63.832 63.200 0.002 0.000 1.073 313 S HN 0.475 nan 8.310 nan 0.000 0.480 314 P HA 0.263 nan 4.420 nan 0.000 0.275 314 P C -0.350 176.949 177.300 -0.002 0.000 1.266 314 P CA -0.444 62.670 63.100 0.023 0.000 0.793 314 P CB 0.417 32.137 31.700 0.032 0.000 1.074 315 E N 0.250 120.448 120.200 -0.004 0.000 2.585 315 E HA -0.102 4.245 4.350 -0.006 0.000 0.252 315 E C 0.625 177.206 176.600 -0.032 0.000 0.981 315 E CA 0.481 56.872 56.400 -0.015 0.000 0.943 315 E CB -0.172 29.522 29.700 -0.011 0.000 0.923 315 E HN 0.321 nan 8.360 nan 0.000 0.486 316 D N 3.462 123.842 120.400 -0.033 0.000 2.183 316 D HA -0.099 4.537 4.640 -0.006 0.000 0.203 316 D C 0.293 176.562 176.300 -0.052 0.000 0.969 316 D CA 0.650 54.624 54.000 -0.044 0.000 0.842 316 D CB 0.224 41.020 40.800 -0.008 0.000 0.957 316 D HN 0.325 nan 8.370 nan 0.000 0.484 317 R N 0.515 120.994 120.500 -0.034 0.000 2.248 317 R HA 0.353 4.690 4.340 -0.006 0.000 0.328 317 R C -0.385 175.892 176.300 -0.038 0.000 1.067 317 R CA -0.280 55.800 56.100 -0.034 0.000 0.924 317 R CB 0.115 30.404 30.300 -0.019 0.000 1.013 317 R HN 0.209 nan 8.270 nan 0.000 0.454 318 I N 1.379 121.919 120.570 -0.051 0.000 2.740 318 I HA 0.529 4.696 4.170 -0.006 0.000 0.303 318 I C -0.615 175.484 176.117 -0.030 0.000 1.044 318 I CA -1.158 60.116 61.300 -0.043 0.000 1.064 318 I CB 1.970 39.932 38.000 -0.064 0.000 1.249 318 I HN 0.416 nan 8.210 nan 0.000 0.433 319 I N 2.980 123.543 120.570 -0.012 0.000 2.460 319 I HA 0.505 4.672 4.170 -0.006 0.000 0.298 319 I C -0.144 175.988 176.117 0.026 0.000 0.989 319 I CA -0.203 61.100 61.300 0.006 0.000 1.173 319 I CB 1.975 39.980 38.000 0.009 0.000 1.338 319 I HN 0.679 nan 8.210 nan 0.000 0.456 320 S N 5.252 120.983 115.700 0.052 0.000 2.588 320 S HA 0.578 5.045 4.470 -0.006 0.000 0.275 320 S C -0.532 174.168 174.600 0.167 0.000 1.130 320 S CA -0.612 57.671 58.200 0.139 0.000 0.855 320 S CB 2.027 65.293 63.200 0.109 0.000 1.116 320 S HN 0.336 nan 8.310 nan 0.000 0.472 321 I N 4.146 124.851 120.570 0.224 0.000 2.379 321 I HA 0.198 4.365 4.170 -0.006 0.000 0.290 321 I C -1.220 174.999 176.117 0.169 0.000 1.063 321 I CA -1.961 59.407 61.300 0.115 0.000 1.351 321 I CB 1.079 39.096 38.000 0.027 0.000 1.410 321 I HN 0.490 nan 8.210 nan 0.000 0.505 322 P HA -0.226 nan 4.420 nan 0.000 0.216 322 P C 1.473 178.829 177.300 0.093 0.000 1.150 322 P CA 1.584 64.780 63.100 0.160 0.000 0.843 322 P CB 0.131 31.869 31.700 0.063 0.000 0.787 323 S N -0.605 115.056 115.700 -0.065 0.000 2.402 323 S HA -0.095 4.372 4.470 -0.006 0.000 0.229 323 S C 2.043 176.543 174.600 -0.167 0.000 1.021 323 S CA 0.725 58.840 58.200 -0.141 0.000 0.974 323 S CB -0.852 62.241 63.200 -0.179 0.000 0.800 323 S HN -0.036 nan 8.310 nan 0.000 0.484 324 K N 0.882 121.117 120.400 -0.274 0.000 2.152 324 K HA 0.006 4.322 4.320 -0.006 0.000 0.206 324 K C 0.567 176.659 176.600 -0.847 0.000 1.048 324 K CA 1.134 57.042 56.287 -0.632 0.000 0.933 324 K CB -0.410 31.504 32.500 -0.976 0.000 0.721 324 K HN 0.666 nan 8.250 nan 0.000 0.447 325 F N -0.426 119.557 119.950 0.055 0.000 2.735 325 F HA 0.351 4.875 4.527 -0.005 0.000 0.308 325 F C 0.543 176.415 175.800 0.120 0.000 1.112 325 F CA -0.759 57.288 58.000 0.080 0.000 1.235 325 F CB -0.046 39.002 39.000 0.080 0.000 1.027 325 F HN -0.256 nan 8.300 nan 0.000 0.528 326 A N 1.797 124.727 122.820 0.185 0.000 2.462 326 A HA 0.489 4.805 4.320 -0.006 0.000 0.243 326 A C 0.261 177.986 177.584 0.235 0.000 1.076 326 A CA 0.100 52.282 52.037 0.242 0.000 0.773 326 A CB -0.007 19.045 19.000 0.086 0.000 1.010 326 A HN 0.553 nan 8.150 nan 0.000 0.493 327 E N 1.146 121.532 120.200 0.309 0.000 2.372 327 E HA 0.493 4.839 4.350 -0.006 0.000 0.279 327 E C -1.446 175.350 176.600 0.326 0.000 0.946 327 E CA -1.031 55.534 56.400 0.275 0.000 0.769 327 E CB 1.093 30.907 29.700 0.191 0.000 1.230 327 E HN 0.466 nan 8.360 nan 0.000 0.442 328 D N 0.727 121.315 120.400 0.314 0.000 5.070 328 D HA -0.173 4.464 4.640 -0.006 0.000 0.239 328 D C -1.664 174.828 176.300 0.319 0.000 1.194 328 D CA 0.973 55.107 54.000 0.222 0.000 1.284 328 D CB -0.585 40.347 40.800 0.221 0.000 0.729 328 D HN 0.500 nan 8.370 nan 0.000 0.365 329 F N 1.131 121.195 119.950 0.191 0.000 2.507 329 F HA 0.687 5.211 4.527 -0.006 0.000 0.328 329 F C -0.225 175.667 175.800 0.154 0.000 1.136 329 F CA -0.917 57.199 58.000 0.193 0.000 0.930 329 F CB 2.001 41.078 39.000 0.128 0.000 1.166 329 F HN 0.130 nan 8.300 nan 0.000 0.436 330 S N 4.150 119.941 115.700 0.153 0.000 2.541 330 S HA 0.713 5.179 4.470 -0.006 0.000 0.280 330 S C -3.201 171.477 174.600 0.131 0.000 1.112 330 S CA -1.612 56.626 58.200 0.064 0.000 0.925 330 S CB 2.271 65.496 63.200 0.042 0.000 1.067 330 S HN 0.564 nan 8.310 nan 0.000 0.479 331 P HA 0.396 nan 4.420 nan 0.000 0.286 331 P C -0.911 176.441 177.300 0.088 0.000 1.269 331 P CA -0.479 62.680 63.100 0.098 0.000 0.787 331 P CB 0.826 32.570 31.700 0.072 0.000 0.920 332 L N 1.699 122.979 121.223 0.094 0.000 2.299 332 L HA 0.496 4.832 4.340 -0.006 0.000 0.268 332 L C 0.716 177.646 176.870 0.100 0.000 1.012 332 L CA -1.173 53.733 54.840 0.109 0.000 0.816 332 L CB 0.482 42.617 42.059 0.127 0.000 1.355 332 L HN 0.199 nan 8.230 nan 0.000 0.457 333 D N 0.219 120.690 120.400 0.119 0.000 2.363 333 D HA 0.261 4.898 4.640 -0.006 0.000 0.240 333 D C 0.936 177.296 176.300 0.099 0.000 1.236 333 D CA 1.146 55.204 54.000 0.096 0.000 0.927 333 D CB 0.533 41.387 40.800 0.090 0.000 1.150 333 D HN 0.799 nan 8.370 nan 0.000 0.458 334 G N 1.085 109.929 108.800 0.073 0.000 2.225 334 G HA2 -0.349 3.608 3.960 -0.006 0.000 0.267 334 G HA3 -0.349 3.608 3.960 -0.006 0.000 0.267 334 G C 0.449 175.383 174.900 0.057 0.000 1.024 334 G CA 0.766 45.904 45.100 0.063 0.000 0.784 334 G HN 0.792 nan 8.290 nan 0.000 0.507 335 D N -2.091 118.343 120.400 0.057 0.000 2.870 335 D HA -0.177 4.460 4.640 -0.006 0.000 0.228 335 D C 0.685 177.021 176.300 0.060 0.000 1.147 335 D CA 1.495 55.529 54.000 0.056 0.000 0.757 335 D CB -1.248 39.583 40.800 0.051 0.000 1.091 335 D HN 0.769 nan 8.370 nan 0.000 0.429 336 L N -0.328 120.932 121.223 0.062 0.000 2.387 336 L HA 0.618 4.954 4.340 -0.006 0.000 0.266 336 L C 0.738 177.651 176.870 0.072 0.000 1.059 336 L CA -1.063 53.806 54.840 0.049 0.000 0.801 336 L CB 1.035 43.090 42.059 -0.006 0.000 1.223 336 L HN -0.092 nan 8.230 nan 0.000 0.456 337 I N 0.527 121.150 120.570 0.089 0.000 2.689 337 I HA 0.636 4.803 4.170 -0.006 0.000 0.299 337 I C -0.380 175.846 176.117 0.180 0.000 1.059 337 I CA -0.115 61.275 61.300 0.150 0.000 1.055 337 I CB 2.076 40.181 38.000 0.175 0.000 1.243 337 I HN 0.580 nan 8.210 nan 0.000 0.425 338 A N 5.435 128.389 122.820 0.223 0.000 2.386 338 A HA 0.948 5.265 4.320 -0.006 0.000 0.311 338 A C -1.324 176.480 177.584 0.367 0.000 1.068 338 A CA -0.419 51.749 52.037 0.219 0.000 0.743 338 A CB 1.136 20.223 19.000 0.144 0.000 1.258 338 A HN 0.678 nan 8.150 nan 0.000 0.429 339 F N -0.078 119.988 119.950 0.194 0.000 2.678 339 F HA 0.691 5.215 4.527 -0.005 0.000 0.308 339 F C -1.633 174.311 175.800 0.240 0.000 1.118 339 F CA -1.080 57.053 58.000 0.222 0.000 0.959 339 F CB 0.883 40.020 39.000 0.228 0.000 1.305 339 F HN 0.388 nan 8.300 nan 0.000 0.443 340 V N 2.208 122.282 119.914 0.267 0.000 2.532 340 V HA 0.761 4.877 4.120 -0.006 0.000 0.295 340 V C -0.567 175.729 176.094 0.336 0.000 1.041 340 V CA -0.355 62.025 62.300 0.133 0.000 0.926 340 V CB 1.559 33.436 31.823 0.089 0.000 0.992 340 V HN 0.929 nan 8.190 nan 0.000 0.457 341 S N 4.177 120.047 115.700 0.283 0.000 2.603 341 S HA 0.502 4.968 4.470 -0.006 0.000 0.274 341 S C -0.043 174.707 174.600 0.250 0.000 1.168 341 S CA -0.709 57.717 58.200 0.377 0.000 0.963 341 S CB 0.746 64.294 63.200 0.580 0.000 1.078 341 S HN 0.781 nan 8.310 nan 0.000 0.477 342 R N 2.820 123.436 120.500 0.193 0.000 3.416 342 R HA -0.213 4.123 4.340 -0.006 0.000 0.263 342 R C 0.981 177.275 176.300 -0.011 0.000 1.053 342 R CA 1.183 57.302 56.100 0.032 0.000 0.705 342 R CB -1.819 28.425 30.300 -0.094 0.000 1.124 342 R HN 1.824 nan 8.270 nan 0.000 0.444 343 G N -1.015 107.778 108.800 -0.012 0.000 2.168 343 G HA2 -0.358 3.598 3.960 -0.006 0.000 0.263 343 G HA3 -0.358 3.598 3.960 -0.006 0.000 0.263 343 G C -0.002 174.828 174.900 -0.117 0.000 0.977 343 G CA 0.902 45.959 45.100 -0.071 0.000 0.659 343 G HN 0.542 nan 8.290 nan 0.000 0.533 344 Q N -0.486 119.247 119.800 -0.112 0.000 2.297 344 Q HA 0.790 5.127 4.340 -0.006 0.000 0.269 344 Q C -0.046 175.675 176.000 -0.465 0.000 1.051 344 Q CA -0.219 55.402 55.803 -0.303 0.000 0.869 344 Q CB 2.167 30.756 28.738 -0.249 0.000 1.346 344 Q HN 0.803 nan 8.270 nan 0.000 0.457 345 A N 1.098 123.406 122.820 -0.854 0.000 2.454 345 A HA 0.886 5.203 4.320 -0.006 0.000 0.302 345 A C -1.575 175.274 177.584 -1.224 0.000 1.079 345 A CA -0.481 51.095 52.037 -0.768 0.000 0.731 345 A CB 1.017 19.737 19.000 -0.467 0.000 1.299 345 A HN 0.561 nan 8.150 nan 0.000 0.413 346 F N -0.030 119.616 119.950 -0.508 0.000 2.608 346 F HA 0.587 5.110 4.527 -0.006 0.000 0.309 346 F C -0.696 174.977 175.800 -0.213 0.000 1.103 346 F CA -0.450 57.314 58.000 -0.394 0.000 0.954 346 F CB 1.968 40.641 39.000 -0.546 0.000 1.267 346 F HN 0.279 nan 8.300 nan 0.000 0.444 347 I N 2.743 123.353 120.570 0.067 0.000 2.362 347 I HA 0.469 4.635 4.170 -0.006 0.000 0.289 347 I C -0.558 175.596 176.117 0.063 0.000 0.994 347 I CA -0.249 61.042 61.300 -0.015 0.000 1.158 347 I CB 1.537 39.386 38.000 -0.252 0.000 1.315 347 I HN 0.681 nan 8.210 nan 0.000 0.451 348 Q N 4.952 124.817 119.800 0.108 0.000 2.565 348 Q HA 0.527 4.863 4.340 -0.006 0.000 0.294 348 Q C -1.678 174.395 176.000 0.121 0.000 1.005 348 Q CA -1.106 54.783 55.803 0.143 0.000 0.771 348 Q CB 2.036 30.900 28.738 0.211 0.000 1.486 348 Q HN 0.545 nan 8.270 nan 0.000 0.422 349 D N 0.514 121.002 120.400 0.148 0.000 2.354 349 D HA 0.029 4.666 4.640 -0.006 0.000 0.247 349 D C 1.354 177.717 176.300 0.106 0.000 1.138 349 D CA -0.041 54.040 54.000 0.135 0.000 0.958 349 D CB 1.634 42.561 40.800 0.212 0.000 1.144 349 D HN 0.610 nan 8.370 nan 0.000 0.458 350 V N -0.067 119.897 119.914 0.083 0.000 2.469 350 V HA -0.258 3.858 4.120 -0.006 0.000 0.251 350 V C 2.174 178.282 176.094 0.023 0.000 1.064 350 V CA 2.647 64.978 62.300 0.051 0.000 1.066 350 V CB -1.287 30.564 31.823 0.047 0.000 0.667 350 V HN 0.702 nan 8.190 nan 0.000 0.461 351 S N 0.713 116.437 115.700 0.041 0.000 2.481 351 S HA 0.195 4.661 4.470 -0.006 0.000 0.231 351 S C 1.870 176.460 174.600 -0.017 0.000 0.996 351 S CA 1.153 59.358 58.200 0.008 0.000 0.942 351 S CB -0.607 62.607 63.200 0.024 0.000 0.768 351 S HN 2.181 nan 8.310 nan 0.000 0.520 352 G N 0.351 109.157 108.800 0.011 0.000 2.147 352 G HA2 -0.300 3.656 3.960 -0.006 0.000 0.244 352 G HA3 -0.300 3.656 3.960 -0.006 0.000 0.244 352 G C 0.629 175.499 174.900 -0.049 0.000 1.005 352 G CA 0.973 46.069 45.100 -0.007 0.000 0.713 352 G HN 0.781 nan 8.290 nan 0.000 0.515 353 T N -1.558 112.943 114.554 -0.089 0.000 2.983 353 T HA 0.242 4.589 4.350 -0.006 0.000 0.250 353 T C 0.834 175.300 174.700 -0.389 0.000 1.037 353 T CA 1.027 62.961 62.100 -0.278 0.000 1.142 353 T CB 0.087 68.714 68.868 -0.402 0.000 0.876 353 T HN 0.373 nan 8.240 nan 0.000 0.455 354 Y N 2.016 122.333 120.300 0.028 0.000 2.504 354 Y HA 0.596 5.142 4.550 -0.006 0.000 0.339 354 Y C -0.527 175.403 175.900 0.050 0.000 0.974 354 Y CA -1.021 57.101 58.100 0.038 0.000 1.232 354 Y CB 1.062 39.544 38.460 0.036 0.000 1.108 354 Y HN -0.108 nan 8.280 nan 0.000 0.509 355 V N 5.503 125.511 119.914 0.158 0.000 2.495 355 V HA 0.459 4.576 4.120 -0.006 0.000 0.298 355 V C -0.316 175.882 176.094 0.174 0.000 1.031 355 V CA -1.012 61.382 62.300 0.157 0.000 0.871 355 V CB 2.015 33.906 31.823 0.113 0.000 0.988 355 V HN 0.581 nan 8.190 nan 0.000 0.432 356 L N 4.165 125.498 121.223 0.184 0.000 2.356 356 L HA 0.576 4.913 4.340 -0.006 0.000 0.277 356 L C -0.121 176.833 176.870 0.140 0.000 0.996 356 L CA -0.565 54.374 54.840 0.164 0.000 0.822 356 L CB 1.983 44.139 42.059 0.161 0.000 1.256 356 L HN 0.607 nan 8.230 nan 0.000 0.413 357 K N 2.357 122.792 120.400 0.057 0.000 2.205 357 K HA 0.439 4.756 4.320 -0.006 0.000 0.279 357 K C -0.725 175.651 176.600 -0.374 0.000 1.027 357 K CA -0.590 55.546 56.287 -0.252 0.000 0.932 357 K CB 1.440 33.833 32.500 -0.178 0.000 1.032 357 K HN 0.323 nan 8.250 nan 0.000 0.466 358 V N 6.692 126.242 119.914 -0.606 0.000 2.572 358 V HA 0.121 4.237 4.120 -0.006 0.000 0.291 358 V C -1.739 173.948 176.094 -0.678 0.000 1.039 358 V CA -1.230 60.593 62.300 -0.796 0.000 1.055 358 V CB 0.849 32.183 31.823 -0.814 0.000 0.969 358 V HN 0.852 nan 8.190 nan 0.000 0.482 359 P HA 0.274 nan 4.420 nan 0.000 0.237 359 P C -0.442 176.630 177.300 -0.381 0.000 1.788 359 P CA 0.051 62.913 63.100 -0.397 0.000 1.061 359 P CB 0.330 31.870 31.700 -0.267 0.000 1.967 360 E N 2.705 122.661 120.200 -0.406 0.000 2.304 360 E HA 0.321 4.668 4.350 -0.006 0.000 0.277 360 E C -2.246 174.208 176.600 -0.243 0.000 0.898 360 E CA -1.852 54.331 56.400 -0.363 0.000 0.764 360 E CB 2.377 31.758 29.700 -0.531 0.000 1.216 360 E HN 0.274 nan 8.360 nan 0.000 0.419 361 P HA 0.026 nan 4.420 nan 0.000 0.272 361 P C 0.432 177.774 177.300 0.070 0.000 1.243 361 P CA -0.332 62.746 63.100 -0.037 0.000 0.803 361 P CB 0.914 32.613 31.700 -0.002 0.000 0.974 362 L N 0.332 121.571 121.223 0.026 0.000 2.554 362 L HA -0.071 4.265 4.340 -0.006 0.000 0.293 362 L C 1.054 177.895 176.870 -0.049 0.000 1.252 362 L CA 0.531 55.361 54.840 -0.016 0.000 0.862 362 L CB -0.282 41.750 42.059 -0.045 0.000 1.113 362 L HN 0.526 nan 8.230 nan 0.000 0.510 363 R N 3.087 123.514 120.500 -0.120 0.000 2.814 363 R HA -0.075 4.261 4.340 -0.006 0.000 0.292 363 R C -1.418 174.749 176.300 -0.222 0.000 0.983 363 R CA 0.357 56.340 56.100 -0.196 0.000 0.646 363 R CB -1.814 28.342 30.300 -0.240 0.000 1.571 363 R HN 0.488 nan 8.270 nan 0.000 0.422 364 I N 3.486 123.974 120.570 -0.136 0.000 2.315 364 I HA 0.228 4.394 4.170 -0.006 0.000 0.291 364 I C 1.652 177.684 176.117 -0.141 0.000 1.006 364 I CA -0.470 60.776 61.300 -0.090 0.000 1.265 364 I CB 1.265 39.163 38.000 -0.171 0.000 1.387 364 I HN 0.340 nan 8.210 nan 0.000 0.475 365 R N 4.528 124.922 120.500 -0.176 0.000 2.128 365 R HA 0.165 4.502 4.340 -0.006 0.000 0.211 365 R C -0.511 175.410 176.300 -0.631 0.000 1.067 365 R CA 0.794 56.605 56.100 -0.482 0.000 1.010 365 R CB 0.333 30.210 30.300 -0.704 0.000 0.922 365 R HN 0.469 nan 8.270 nan 0.000 0.457 366 Y N -0.943 119.403 120.300 0.077 0.000 2.553 366 Y HA 0.499 5.046 4.550 -0.006 0.000 0.347 366 Y C -0.690 175.302 175.900 0.153 0.000 1.019 366 Y CA -1.291 56.866 58.100 0.095 0.000 1.032 366 Y CB 2.365 40.875 38.460 0.083 0.000 1.284 366 Y HN -0.384 nan 8.280 nan 0.000 0.466 367 V N 2.320 122.420 119.914 0.310 0.000 2.686 367 V HA 0.701 4.818 4.120 -0.006 0.000 0.306 367 V C -0.923 175.298 176.094 0.211 0.000 1.065 367 V CA -0.801 61.656 62.300 0.262 0.000 0.894 367 V CB 1.983 33.914 31.823 0.180 0.000 1.004 367 V HN 0.656 nan 8.190 nan 0.000 0.424 368 R N 2.009 122.633 120.500 0.206 0.000 2.651 368 R HA 0.582 4.918 4.340 -0.006 0.000 0.278 368 R C -0.628 175.762 176.300 0.150 0.000 1.010 368 R CA -0.998 55.192 56.100 0.150 0.000 0.896 368 R CB 1.487 31.861 30.300 0.122 0.000 1.211 368 R HN 0.839 nan 8.270 nan 0.000 0.456 369 R N 1.084 121.659 120.500 0.125 0.000 2.504 369 R HA 0.158 4.495 4.340 -0.006 0.000 0.291 369 R C 0.327 176.680 176.300 0.089 0.000 0.974 369 R CA 1.418 57.591 56.100 0.122 0.000 1.077 369 R CB 0.091 30.449 30.300 0.097 0.000 0.926 369 R HN 0.759 nan 8.270 nan 0.000 0.407 370 G N 1.788 110.639 108.800 0.086 0.000 3.079 370 G HA2 0.453 4.409 3.960 -0.006 0.000 0.233 370 G HA3 0.453 4.409 3.960 -0.006 0.000 0.233 370 G C 0.224 175.129 174.900 0.009 0.000 1.062 370 G CA 0.235 45.360 45.100 0.042 0.000 0.809 370 G HN 0.989 nan 8.290 nan 0.000 0.535 371 G N -0.396 108.412 108.800 0.012 0.000 2.317 371 G HA2 0.262 4.219 3.960 -0.006 0.000 0.293 371 G HA3 0.262 4.219 3.960 -0.006 0.000 0.293 371 G C -0.286 174.599 174.900 -0.024 0.000 1.287 371 G CA 0.146 45.236 45.100 -0.018 0.000 0.850 371 G HN -0.172 nan 8.290 nan 0.000 0.515 372 D N -0.075 120.298 120.400 -0.045 0.000 2.204 372 D HA -0.157 4.479 4.640 -0.006 0.000 0.189 372 D C 2.273 178.516 176.300 -0.095 0.000 1.006 372 D CA 2.858 56.830 54.000 -0.047 0.000 0.855 372 D CB -0.123 40.639 40.800 -0.062 0.000 0.946 372 D HN 0.795 nan 8.370 nan 0.000 0.448 373 T N -3.099 111.288 114.554 -0.280 0.000 3.288 373 T HA 0.349 4.695 4.350 -0.006 0.000 0.293 373 T C 0.201 174.305 174.700 -0.994 0.000 1.008 373 T CA -0.650 60.979 62.100 -0.784 0.000 0.929 373 T CB 0.626 69.083 68.868 -0.684 0.000 1.152 373 T HN -0.114 nan 8.240 nan 0.000 0.517 374 K N 0.533 120.699 120.400 -0.390 0.000 2.267 374 K HA 0.803 5.120 4.320 -0.006 0.000 0.246 374 K C -1.579 175.058 176.600 0.062 0.000 0.954 374 K CA -1.048 55.123 56.287 -0.193 0.000 0.824 374 K CB 2.978 35.410 32.500 -0.113 0.000 1.167 374 K HN 0.074 nan 8.250 nan 0.000 0.431 375 V N 1.074 121.093 119.914 0.176 0.000 2.808 375 V HA 0.661 4.778 4.120 -0.006 0.000 0.308 375 V C -1.467 174.789 176.094 0.271 0.000 1.099 375 V CA -0.531 61.932 62.300 0.272 0.000 0.920 375 V CB 1.837 33.900 31.823 0.401 0.000 1.014 375 V HN 0.937 nan 8.190 nan 0.000 0.425 376 A N 5.996 128.935 122.820 0.199 0.000 2.303 376 A HA 0.985 5.302 4.320 -0.006 0.000 0.317 376 A C -0.854 176.865 177.584 0.225 0.000 1.149 376 A CA -0.349 51.755 52.037 0.111 0.000 0.822 376 A CB 0.781 19.826 19.000 0.074 0.000 1.131 376 A HN 1.473 nan 8.150 nan 0.000 0.493 377 F N 0.095 120.138 119.950 0.155 0.000 2.643 377 F HA 0.789 5.312 4.527 -0.006 0.000 0.314 377 F C -1.158 174.752 175.800 0.183 0.000 1.096 377 F CA -1.678 56.415 58.000 0.155 0.000 0.953 377 F CB 1.103 40.166 39.000 0.105 0.000 1.345 377 F HN 0.245 nan 8.300 nan 0.000 0.468 378 I N 2.480 123.342 120.570 0.487 0.000 2.362 378 I HA 0.237 4.403 4.170 -0.006 0.000 0.289 378 I C -0.676 175.689 176.117 0.414 0.000 0.994 378 I CA -0.338 61.188 61.300 0.377 0.000 1.158 378 I CB 0.942 39.154 38.000 0.354 0.000 1.315 378 I HN 0.782 nan 8.210 nan 0.000 0.451 379 H N 5.403 124.693 119.070 0.367 0.000 2.476 379 H HA 0.569 5.121 4.556 -0.006 0.000 0.328 379 H C -0.447 175.030 175.328 0.248 0.000 1.073 379 H CA -0.366 55.860 56.048 0.297 0.000 1.229 379 H CB 1.780 31.768 29.762 0.376 0.000 1.432 379 H HN 0.754 nan 8.280 nan 0.000 0.477 380 G N 3.082 111.681 108.800 -0.335 0.000 2.379 380 G HA2 0.438 4.394 3.960 -0.006 0.000 0.327 380 G HA3 0.438 4.394 3.960 -0.006 0.000 0.327 380 G C -0.229 174.524 174.900 -0.244 0.000 1.145 380 G CA -0.266 44.716 45.100 -0.197 0.000 0.905 380 G HN 0.714 nan 8.290 nan 0.000 0.466 381 T N -1.068 113.506 114.554 0.034 0.000 2.742 381 T HA 0.391 4.738 4.350 -0.006 0.000 0.282 381 T C 1.257 176.030 174.700 0.121 0.000 1.025 381 T CA -0.728 61.433 62.100 0.101 0.000 1.020 381 T CB 1.777 70.798 68.868 0.255 0.000 1.317 381 T HN 0.381 nan 8.240 nan 0.000 0.538 382 R N 0.054 120.634 120.500 0.134 0.000 2.115 382 R HA -0.037 4.299 4.340 -0.006 0.000 0.230 382 R C 1.797 178.187 176.300 0.149 0.000 1.111 382 R CA 1.379 57.563 56.100 0.140 0.000 0.976 382 R CB -0.120 30.255 30.300 0.124 0.000 0.870 382 R HN 0.633 nan 8.270 nan 0.000 0.445 383 E N -0.509 119.804 120.200 0.188 0.000 2.216 383 E HA 0.091 4.438 4.350 -0.006 0.000 0.192 383 E C 0.941 177.614 176.600 0.120 0.000 0.988 383 E CA 1.021 57.538 56.400 0.195 0.000 0.834 383 E CB 0.395 30.274 29.700 0.298 0.000 0.772 383 E HN 0.512 nan 8.360 nan 0.000 0.479 384 G N 0.335 109.188 108.800 0.088 0.000 2.339 384 G HA2 -0.010 3.947 3.960 -0.006 0.000 0.275 384 G HA3 -0.010 3.947 3.960 -0.006 0.000 0.275 384 G C -1.810 172.899 174.900 -0.318 0.000 1.323 384 G CA -0.790 44.217 45.100 -0.155 0.000 0.927 384 G HN -0.071 nan 8.290 nan 0.000 0.486 385 D N 0.025 120.138 120.400 -0.479 0.000 2.163 385 D HA 0.733 5.369 4.640 -0.006 0.000 0.248 385 D C -0.811 175.077 176.300 -0.687 0.000 1.035 385 D CA 0.362 54.146 54.000 -0.361 0.000 0.872 385 D CB 1.452 42.159 40.800 -0.156 0.000 1.183 385 D HN 0.195 nan 8.370 nan 0.000 0.445 386 F N 0.628 120.658 119.950 0.133 0.000 2.576 386 F HA 0.281 4.804 4.527 -0.006 0.000 0.313 386 F C -0.023 175.866 175.800 0.149 0.000 1.078 386 F CA -1.114 56.977 58.000 0.151 0.000 0.921 386 F CB 1.580 40.685 39.000 0.174 0.000 1.232 386 F HN -0.015 nan 8.300 nan 0.000 0.459 387 L N 2.202 123.613 121.223 0.312 0.000 2.350 387 L HA 0.795 5.132 4.340 -0.006 0.000 0.275 387 L C -0.102 176.805 176.870 0.061 0.000 1.099 387 L CA 0.345 55.307 54.840 0.203 0.000 0.808 387 L CB 0.723 42.936 42.059 0.256 0.000 1.149 387 L HN 0.808 nan 8.230 nan 0.000 0.442 388 G N 5.104 113.613 108.800 -0.485 0.000 2.672 388 G HA2 0.682 4.638 3.960 -0.006 0.000 0.292 388 G HA3 0.682 4.638 3.960 -0.006 0.000 0.292 388 G C -1.479 172.702 174.900 -1.198 0.000 1.375 388 G CA -0.520 43.896 45.100 -1.140 0.000 0.890 388 G HN 0.536 nan 8.290 nan 0.000 0.476 389 I N -0.017 120.114 120.570 -0.733 0.000 2.730 389 I HA 0.497 4.663 4.170 -0.006 0.000 0.298 389 I C -1.625 174.610 176.117 0.196 0.000 1.089 389 I CA -1.029 60.145 61.300 -0.209 0.000 1.041 389 I CB 2.755 40.683 38.000 -0.121 0.000 1.235 389 I HN 0.525 nan 8.210 nan 0.000 0.423 390 Y N 4.204 124.611 120.300 0.178 0.000 2.401 390 Y HA 0.380 4.927 4.550 -0.006 0.000 0.330 390 Y C -1.529 174.440 175.900 0.114 0.000 1.071 390 Y CA -1.193 57.030 58.100 0.206 0.000 1.049 390 Y CB 1.574 40.225 38.460 0.319 0.000 1.239 390 Y HN 0.497 nan 8.280 nan 0.000 0.437 391 D N 5.457 125.594 120.400 -0.439 0.000 2.443 391 D HA 0.086 4.722 4.640 -0.006 0.000 0.221 391 D C 0.248 175.997 176.300 -0.919 0.000 1.097 391 D CA -0.319 53.333 54.000 -0.580 0.000 0.865 391 D CB 0.380 40.992 40.800 -0.312 0.000 1.034 391 D HN 0.678 nan 8.370 nan 0.000 0.511 392 Y N 2.801 122.600 120.300 -0.834 0.000 2.616 392 Y HA 0.126 4.673 4.550 -0.006 0.000 0.296 392 Y C 2.057 177.816 175.900 -0.235 0.000 1.154 392 Y CA 0.104 57.838 58.100 -0.609 0.000 1.325 392 Y CB -0.275 38.034 38.460 -0.252 0.000 1.007 392 Y HN 0.260 nan 8.280 nan 0.000 0.542 393 R N 1.157 121.480 120.500 -0.295 0.000 2.055 393 R HA -0.077 4.260 4.340 -0.006 0.000 0.221 393 R C 2.228 178.474 176.300 -0.091 0.000 1.154 393 R CA 1.752 57.773 56.100 -0.131 0.000 0.975 393 R CB -0.500 29.685 30.300 -0.192 0.000 0.869 393 R HN 0.467 nan 8.270 nan 0.000 0.437 394 T N -3.286 111.187 114.554 -0.134 0.000 2.985 394 T HA 0.162 4.509 4.350 -0.006 0.000 0.266 394 T C 1.478 176.156 174.700 -0.037 0.000 1.076 394 T CA 1.052 63.108 62.100 -0.074 0.000 1.135 394 T CB 0.288 69.109 68.868 -0.079 0.000 0.890 394 T HN 0.530 nan 8.240 nan 0.000 0.480 395 G N 2.118 110.882 108.800 -0.061 0.000 2.234 395 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.235 395 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.235 395 G C 0.165 175.151 174.900 0.143 0.000 0.997 395 G CA 0.207 45.351 45.100 0.074 0.000 0.623 395 G HN 1.028 nan 8.290 nan 0.000 0.514 396 K N -0.042 120.386 120.400 0.046 0.000 2.397 396 K HA 0.561 4.878 4.320 -0.006 0.000 0.265 396 K C 0.019 176.727 176.600 0.179 0.000 0.982 396 K CA 0.428 56.757 56.287 0.070 0.000 0.931 396 K CB 1.005 33.510 32.500 0.007 0.000 0.943 396 K HN 1.441 nan 8.250 nan 0.000 0.501 397 A N 2.077 124.992 122.820 0.158 0.000 2.893 397 A HA 0.124 4.441 4.320 -0.006 0.000 0.298 397 A C -0.736 176.887 177.584 0.064 0.000 1.227 397 A CA -0.744 51.428 52.037 0.225 0.000 0.845 397 A CB 0.271 19.456 19.000 0.309 0.000 1.430 397 A HN 0.873 nan 8.150 nan 0.000 0.493 398 E N 1.333 121.506 120.200 -0.045 0.000 2.391 398 E HA 0.463 4.809 4.350 -0.006 0.000 0.255 398 E C -0.307 176.116 176.600 -0.295 0.000 1.187 398 E CA -0.198 56.094 56.400 -0.180 0.000 0.941 398 E CB 0.665 30.209 29.700 -0.260 0.000 1.010 398 E HN 0.428 nan 8.360 nan 0.000 0.458 399 K N 3.131 123.312 120.400 -0.366 0.000 2.731 399 K HA 0.177 4.494 4.320 -0.006 0.000 0.257 399 K C -1.290 175.124 176.600 -0.310 0.000 1.032 399 K CA -0.427 55.639 56.287 -0.368 0.000 0.983 399 K CB 0.396 32.811 32.500 -0.143 0.000 1.248 399 K HN 0.375 nan 8.250 nan 0.000 0.484 400 F N 2.304 122.239 119.950 -0.024 0.000 2.628 400 F HA -0.079 4.444 4.527 -0.006 0.000 0.346 400 F C 1.982 177.798 175.800 0.026 0.000 1.188 400 F CA 0.232 58.240 58.000 0.013 0.000 1.376 400 F CB 0.580 39.603 39.000 0.039 0.000 1.104 400 F HN 0.580 nan 8.300 nan 0.000 0.616 401 E N -0.051 120.296 120.200 0.245 0.000 2.498 401 E HA 0.029 4.375 4.350 -0.006 0.000 0.203 401 E C -0.377 176.420 176.600 0.329 0.000 1.013 401 E CA 0.149 56.613 56.400 0.106 0.000 0.927 401 E CB -0.269 29.443 29.700 0.019 0.000 1.012 401 E HN 0.527 nan 8.360 nan 0.000 0.482 402 E N 2.005 122.417 120.200 0.354 0.000 2.299 402 E HA 0.093 4.439 4.350 -0.006 0.000 0.272 402 E C -0.434 176.373 176.600 0.345 0.000 1.043 402 E CA -0.142 56.420 56.400 0.271 0.000 0.895 402 E CB 0.566 30.335 29.700 0.115 0.000 1.011 402 E HN 0.244 nan 8.360 nan 0.000 0.432 403 N N 3.298 122.124 118.700 0.210 0.000 2.470 403 N HA 0.051 4.787 4.740 -0.006 0.000 0.268 403 N C 0.559 175.948 175.510 -0.202 0.000 1.136 403 N CA -0.270 52.648 53.050 -0.221 0.000 0.961 403 N CB 0.498 38.921 38.487 -0.106 0.000 1.067 403 N HN 0.354 nan 8.380 nan 0.000 0.468 404 L N 3.095 124.139 121.223 -0.298 0.000 2.607 404 L HA 0.345 4.681 4.340 -0.006 0.000 0.228 404 L C 1.326 178.120 176.870 -0.128 0.000 1.123 404 L CA 0.081 54.830 54.840 -0.150 0.000 0.890 404 L CB -0.647 41.355 42.059 -0.094 0.000 1.103 404 L HN 0.895 nan 8.230 nan 0.000 0.468 405 G N 0.714 109.404 108.800 -0.184 0.000 2.508 405 G HA2 -0.234 3.723 3.960 -0.006 0.000 0.220 405 G HA3 -0.234 3.723 3.960 -0.006 0.000 0.220 405 G C -0.497 174.349 174.900 -0.089 0.000 1.287 405 G CA -0.685 44.349 45.100 -0.111 0.000 0.916 405 G HN 0.182 nan 8.290 nan 0.000 0.574 406 N N 0.784 119.486 118.700 0.003 0.000 2.469 406 N HA 0.422 5.159 4.740 -0.006 0.000 0.239 406 N C 0.118 175.699 175.510 0.117 0.000 1.053 406 N CA -0.109 52.970 53.050 0.048 0.000 0.937 406 N CB 1.560 40.161 38.487 0.189 0.000 1.163 406 N HN 0.549 nan 8.380 nan 0.000 0.509 407 V N 2.876 122.776 119.914 -0.023 0.000 2.530 407 V HA 0.201 4.318 4.120 -0.006 0.000 0.282 407 V C 0.592 176.663 176.094 -0.039 0.000 1.048 407 V CA 0.115 62.454 62.300 0.066 0.000 0.997 407 V CB 0.335 32.215 31.823 0.095 0.000 0.987 407 V HN 0.544 nan 8.190 nan 0.000 0.477 408 F N 2.152 122.208 119.950 0.176 0.000 2.746 408 F HA 0.654 5.177 4.527 -0.006 0.000 0.320 408 F C 0.770 176.554 175.800 -0.028 0.000 1.097 408 F CA 0.398 58.511 58.000 0.187 0.000 1.195 408 F CB 0.660 39.745 39.000 0.141 0.000 1.056 408 F HN 0.564 nan 8.300 nan 0.000 0.562 409 A N 0.907 123.734 122.820 0.013 0.000 2.574 409 A HA 0.788 5.105 4.320 -0.006 0.000 0.297 409 A C -1.368 176.202 177.584 -0.023 0.000 1.062 409 A CA -0.491 51.461 52.037 -0.142 0.000 0.686 409 A CB 2.046 21.063 19.000 0.028 0.000 1.285 409 A HN -0.005 nan 8.150 nan 0.000 0.403 410 M N 1.395 120.956 119.600 -0.065 0.000 2.365 410 M HA 0.605 5.081 4.480 -0.006 0.000 0.287 410 M C -0.819 175.594 176.300 0.189 0.000 1.154 410 M CA -0.022 55.348 55.300 0.116 0.000 0.941 410 M CB 1.995 34.597 32.600 0.003 0.000 1.704 410 M HN 1.452 nan 8.290 nan 0.000 0.479 411 G N 2.372 111.355 108.800 0.304 0.000 2.690 411 G HA2 0.712 4.668 3.960 -0.006 0.000 0.293 411 G HA3 0.712 4.668 3.960 -0.006 0.000 0.293 411 G C -2.113 172.877 174.900 0.151 0.000 1.399 411 G CA -0.438 44.822 45.100 0.267 0.000 0.890 411 G HN 0.559 nan 8.290 nan 0.000 0.485 412 V N 1.585 121.542 119.914 0.072 0.000 2.680 412 V HA 0.437 4.554 4.120 -0.006 0.000 0.309 412 V C -0.544 175.470 176.094 -0.133 0.000 1.052 412 V CA -0.981 61.294 62.300 -0.041 0.000 0.908 412 V CB 1.952 33.764 31.823 -0.018 0.000 1.001 412 V HN 0.950 nan 8.190 nan 0.000 0.431 413 D N 3.344 123.506 120.400 -0.396 0.000 2.362 413 D HA 0.042 4.679 4.640 -0.006 0.000 0.242 413 D C 0.963 177.135 176.300 -0.213 0.000 1.132 413 D CA -0.524 53.228 54.000 -0.412 0.000 0.907 413 D CB 1.260 41.513 40.800 -0.911 0.000 1.195 413 D HN 0.497 nan 8.370 nan 0.000 0.429 414 R N 1.648 122.082 120.500 -0.109 0.000 2.170 414 R HA -0.171 4.166 4.340 -0.006 0.000 0.242 414 R C 0.725 176.988 176.300 -0.061 0.000 1.145 414 R CA 1.451 57.521 56.100 -0.051 0.000 0.984 414 R CB -0.226 30.069 30.300 -0.010 0.000 0.869 414 R HN 0.567 nan 8.270 nan 0.000 0.455 415 N N -0.721 117.922 118.700 -0.095 0.000 2.313 415 N HA 0.108 4.845 4.740 -0.006 0.000 0.207 415 N C 0.278 175.739 175.510 -0.081 0.000 1.141 415 N CA 0.321 53.330 53.050 -0.069 0.000 0.830 415 N CB 0.988 39.447 38.487 -0.047 0.000 1.008 415 N HN 0.320 nan 8.380 nan 0.000 0.481 416 G N 1.242 109.975 108.800 -0.111 0.000 2.337 416 G HA2 -0.375 3.581 3.960 -0.006 0.000 0.290 416 G HA3 -0.375 3.581 3.960 -0.006 0.000 0.290 416 G C 0.971 175.827 174.900 -0.073 0.000 1.003 416 G CA 1.127 46.174 45.100 -0.088 0.000 0.825 416 G HN 0.353 nan 8.290 nan 0.000 0.509 417 K N -1.080 119.251 120.400 -0.115 0.000 2.078 417 K HA 0.370 4.687 4.320 -0.006 0.000 0.203 417 K C 0.991 177.638 176.600 0.079 0.000 1.043 417 K CA 1.297 57.592 56.287 0.013 0.000 0.960 417 K CB 0.096 32.669 32.500 0.122 0.000 0.761 417 K HN 0.665 nan 8.250 nan 0.000 0.448 418 F N -1.716 118.236 119.950 0.004 0.000 2.664 418 F HA 0.804 5.327 4.527 -0.006 0.000 0.329 418 F C -0.916 174.888 175.800 0.007 0.000 1.090 418 F CA -1.830 56.166 58.000 -0.008 0.000 0.978 418 F CB 1.022 40.009 39.000 -0.021 0.000 1.378 418 F HN -0.189 nan 8.300 nan 0.000 0.495 419 A N 0.583 123.524 122.820 0.201 0.000 2.387 419 A HA 0.873 5.190 4.320 -0.006 0.000 0.303 419 A C -1.673 176.022 177.584 0.186 0.000 1.145 419 A CA -0.941 51.165 52.037 0.116 0.000 0.801 419 A CB 1.702 20.750 19.000 0.080 0.000 1.342 419 A HN 0.799 nan 8.150 nan 0.000 0.440 420 V N 0.359 120.312 119.914 0.064 0.000 2.656 420 V HA 0.643 4.760 4.120 -0.006 0.000 0.307 420 V C -0.796 175.204 176.094 -0.158 0.000 1.051 420 V CA -0.365 61.833 62.300 -0.171 0.000 0.893 420 V CB 1.672 33.189 31.823 -0.511 0.000 0.999 420 V HN 0.738 nan 8.190 nan 0.000 0.426 421 V N 2.800 122.603 119.914 -0.185 0.000 2.888 421 V HA 0.898 5.015 4.120 -0.006 0.000 0.309 421 V C -0.195 175.896 176.094 -0.004 0.000 1.114 421 V CA -0.579 61.714 62.300 -0.013 0.000 0.940 421 V CB 2.108 33.939 31.823 0.012 0.000 1.021 421 V HN 1.029 nan 8.190 nan 0.000 0.426 422 A N 3.852 126.757 122.820 0.142 0.000 2.365 422 A HA 0.909 5.226 4.320 -0.006 0.000 0.318 422 A C -0.478 177.225 177.584 0.198 0.000 1.091 422 A CA -0.675 51.463 52.037 0.168 0.000 0.763 422 A CB 1.142 20.307 19.000 0.274 0.000 1.248 422 A HN 1.033 nan 8.150 nan 0.000 0.442 423 N N 0.059 118.870 118.700 0.184 0.000 2.761 423 N HA 0.391 5.127 4.740 -0.006 0.000 0.283 423 N C -0.726 174.926 175.510 0.236 0.000 1.377 423 N CA -0.496 52.690 53.050 0.227 0.000 0.791 423 N CB 1.164 39.716 38.487 0.108 0.000 1.540 423 N HN 0.405 nan 8.380 nan 0.000 0.539 424 D N -0.498 120.032 120.400 0.217 0.000 2.363 424 D HA -0.055 4.581 4.640 -0.006 0.000 0.226 424 D C 0.804 177.004 176.300 -0.167 0.000 1.020 424 D CA 0.383 54.429 54.000 0.078 0.000 0.892 424 D CB -0.213 40.617 40.800 0.049 0.000 0.900 424 D HN 0.443 nan 8.370 nan 0.000 0.531 425 R N -0.449 119.983 120.500 -0.113 0.000 2.310 425 R HA 0.222 4.559 4.340 -0.006 0.000 0.202 425 R C 0.152 176.362 176.300 -0.149 0.000 0.933 425 R CA -0.178 55.775 56.100 -0.245 0.000 1.054 425 R CB -0.357 29.873 30.300 -0.117 0.000 0.985 425 R HN 0.141 nan 8.270 nan 0.000 0.489 426 F N 0.474 120.406 119.950 -0.031 0.000 3.043 426 F HA -0.268 4.256 4.527 -0.006 0.000 0.290 426 F C -0.331 175.455 175.800 -0.023 0.000 0.844 426 F CA 0.048 58.022 58.000 -0.042 0.000 1.184 426 F CB -1.553 37.406 39.000 -0.067 0.000 1.246 426 F HN 0.209 nan 8.300 nan 0.000 0.536 427 E N 1.141 121.426 120.200 0.142 0.000 2.191 427 E HA 0.599 4.945 4.350 -0.006 0.000 0.274 427 E C -0.335 176.264 176.600 -0.003 0.000 0.948 427 E CA -0.962 55.469 56.400 0.053 0.000 0.802 427 E CB 2.792 32.495 29.700 0.005 0.000 1.137 427 E HN 0.119 nan 8.360 nan 0.000 0.397 428 I N 4.594 125.107 120.570 -0.095 0.000 2.474 428 I HA 0.455 4.621 4.170 -0.006 0.000 0.294 428 I C -0.783 175.177 176.117 -0.262 0.000 1.005 428 I CA -0.693 60.469 61.300 -0.230 0.000 1.113 428 I CB 1.173 38.908 38.000 -0.441 0.000 1.289 428 I HN 0.755 nan 8.210 nan 0.000 0.436 429 M N 5.698 125.138 119.600 -0.266 0.000 2.721 429 M HA 0.540 5.016 4.480 -0.006 0.000 0.271 429 M C -1.616 174.554 176.300 -0.216 0.000 1.259 429 M CA -0.611 54.548 55.300 -0.235 0.000 0.835 429 M CB 2.312 34.818 32.600 -0.156 0.000 1.689 429 M HN 0.482 nan 8.290 nan 0.000 0.470 430 T N -0.141 114.301 114.554 -0.186 0.000 2.856 430 T HA 0.756 5.102 4.350 -0.006 0.000 0.283 430 T C -0.763 173.891 174.700 -0.077 0.000 1.008 430 T CA -0.719 61.313 62.100 -0.113 0.000 0.997 430 T CB 1.799 70.540 68.868 -0.211 0.000 0.992 430 T HN 0.567 nan 8.240 nan 0.000 0.454 431 V N 2.939 122.848 119.914 -0.008 0.000 2.444 431 V HA 0.315 4.431 4.120 -0.006 0.000 0.294 431 V C 0.141 176.217 176.094 -0.030 0.000 1.022 431 V CA -0.970 61.295 62.300 -0.058 0.000 0.850 431 V CB 1.512 33.297 31.823 -0.063 0.000 0.992 431 V HN 1.065 nan 8.190 nan 0.000 0.426 432 D N 4.574 124.919 120.400 -0.092 0.000 2.368 432 D HA 0.048 4.685 4.640 -0.006 0.000 0.268 432 D C 1.073 177.294 176.300 -0.131 0.000 1.298 432 D CA 0.001 53.966 54.000 -0.058 0.000 0.938 432 D CB 1.050 41.796 40.800 -0.089 0.000 1.101 432 D HN 0.528 nan 8.370 nan 0.000 0.509 433 L N 3.316 124.538 121.223 -0.001 0.000 2.450 433 L HA -0.128 4.209 4.340 -0.006 0.000 0.224 433 L C 2.298 179.254 176.870 0.145 0.000 1.149 433 L CA 0.708 55.587 54.840 0.066 0.000 0.816 433 L CB -0.239 41.885 42.059 0.109 0.000 0.932 433 L HN 0.552 nan 8.230 nan 0.000 0.449 434 E N -0.088 120.143 120.200 0.052 0.000 2.042 434 E HA -0.168 4.178 4.350 -0.006 0.000 0.189 434 E C 2.087 178.738 176.600 0.087 0.000 0.974 434 E CA 1.697 58.148 56.400 0.086 0.000 0.806 434 E CB 0.196 29.922 29.700 0.044 0.000 0.769 434 E HN 0.485 nan 8.360 nan 0.000 0.451 435 T N -3.797 110.716 114.554 -0.069 0.000 2.980 435 T HA 0.324 4.670 4.350 -0.006 0.000 0.239 435 T C 1.520 175.957 174.700 -0.439 0.000 1.011 435 T CA 1.000 63.040 62.100 -0.101 0.000 1.171 435 T CB 0.671 69.486 68.868 -0.089 0.000 0.873 435 T HN 0.331 nan 8.240 nan 0.000 0.431 436 G N 0.933 109.295 108.800 -0.730 0.000 2.318 436 G HA2 -0.120 3.836 3.960 -0.006 0.000 0.172 436 G HA3 -0.120 3.836 3.960 -0.006 0.000 0.172 436 G C -0.021 174.600 174.900 -0.466 0.000 1.002 436 G CA -0.029 44.370 45.100 -1.168 0.000 0.697 436 G HN 0.742 nan 8.290 nan 0.000 0.483 437 K N 2.563 122.796 120.400 -0.279 0.000 2.419 437 K HA 0.294 4.611 4.320 -0.006 0.000 0.282 437 K C -1.974 174.540 176.600 -0.142 0.000 1.056 437 K CA -0.906 55.288 56.287 -0.155 0.000 1.035 437 K CB 0.711 33.147 32.500 -0.107 0.000 0.921 437 K HN 0.186 nan 8.250 nan 0.000 0.472 438 P HA 0.149 nan 4.420 nan 0.000 0.281 438 P C -1.116 176.126 177.300 -0.097 0.000 1.249 438 P CA -0.449 62.592 63.100 -0.100 0.000 0.810 438 P CB 1.336 32.989 31.700 -0.077 0.000 1.008 439 T N 1.031 115.517 114.554 -0.114 0.000 3.066 439 T HA 0.196 4.542 4.350 -0.006 0.000 0.318 439 T C -0.225 174.378 174.700 -0.162 0.000 0.979 439 T CA -0.385 61.640 62.100 -0.125 0.000 1.025 439 T CB 0.623 69.414 68.868 -0.128 0.000 1.002 439 T HN 0.072 nan 8.240 nan 0.000 0.453 440 V N 5.037 124.865 119.914 -0.143 0.000 2.529 440 V HA 0.087 4.204 4.120 -0.006 0.000 0.292 440 V C 1.051 177.011 176.094 -0.223 0.000 1.028 440 V CA 0.214 62.419 62.300 -0.159 0.000 1.074 440 V CB 0.226 31.986 31.823 -0.104 0.000 0.958 440 V HN 0.766 nan 8.190 nan 0.000 0.481 441 I N 2.937 123.327 120.570 -0.301 0.000 2.512 441 I HA 0.189 4.356 4.170 -0.006 0.000 0.247 441 I C 1.009 176.982 176.117 -0.241 0.000 1.094 441 I CA 1.042 62.085 61.300 -0.429 0.000 1.427 441 I CB 0.120 37.749 38.000 -0.617 0.000 1.149 441 I HN 0.797 nan 8.210 nan 0.000 0.438 442 E N -0.428 119.677 120.200 -0.158 0.000 2.412 442 E HA 0.477 4.823 4.350 -0.006 0.000 0.279 442 E C -0.949 175.706 176.600 0.091 0.000 0.984 442 E CA -0.825 55.574 56.400 -0.003 0.000 0.788 442 E CB 1.911 31.659 29.700 0.081 0.000 1.277 442 E HN -0.028 nan 8.360 nan 0.000 0.455 443 R N 1.687 122.309 120.500 0.202 0.000 2.561 443 R HA 0.435 4.772 4.340 -0.006 0.000 0.297 443 R C -1.336 175.181 176.300 0.362 0.000 0.969 443 R CA -0.427 55.807 56.100 0.224 0.000 0.879 443 R CB 1.988 32.364 30.300 0.126 0.000 1.178 443 R HN 0.421 nan 8.270 nan 0.000 0.445 444 S N 1.883 117.713 115.700 0.217 0.000 2.654 444 S HA 0.306 4.773 4.470 -0.006 0.000 0.283 444 S C 0.522 175.182 174.600 0.099 0.000 1.180 444 S CA -0.819 57.319 58.200 -0.104 0.000 1.021 444 S CB 0.914 63.741 63.200 -0.621 0.000 1.018 444 S HN 0.788 nan 8.310 nan 0.000 0.532 445 R N 1.403 121.929 120.500 0.044 0.000 2.509 445 R HA 0.398 4.734 4.340 -0.006 0.000 0.300 445 R C -0.085 176.303 176.300 0.147 0.000 0.985 445 R CA -0.301 55.917 56.100 0.196 0.000 1.092 445 R CB 0.109 30.482 30.300 0.122 0.000 1.237 445 R HN 0.445 nan 8.270 nan 0.000 0.546 446 E N 0.815 120.908 120.200 -0.178 0.000 2.357 446 E HA 0.332 4.678 4.350 -0.006 0.000 0.202 446 E C 0.331 176.438 176.600 -0.821 0.000 0.855 446 E CA 0.747 56.962 56.400 -0.308 0.000 1.048 446 E CB 1.104 30.637 29.700 -0.278 0.000 1.037 446 E HN 0.339 nan 8.360 nan 0.000 0.499 447 A N 0.372 122.371 122.820 -1.368 0.000 2.581 447 A HA 0.627 4.943 4.320 -0.006 0.000 0.290 447 A C -0.876 175.971 177.584 -1.229 0.000 1.119 447 A CA -0.724 50.416 52.037 -1.496 0.000 0.670 447 A CB 0.630 19.257 19.000 -0.623 0.000 1.280 447 A HN 0.011 nan 8.150 nan 0.000 0.425 448 M N 0.628 119.871 119.600 -0.594 0.000 2.248 448 M HA 0.247 4.724 4.480 -0.006 0.000 0.337 448 M C -0.339 175.905 176.300 -0.093 0.000 1.121 448 M CA 0.702 55.917 55.300 -0.142 0.000 1.155 448 M CB 0.131 32.730 32.600 -0.001 0.000 1.514 448 M HN 0.469 nan 8.290 nan 0.000 0.452 449 I N 2.521 123.109 120.570 0.029 0.000 2.373 449 I HA 0.049 4.216 4.170 -0.006 0.000 0.287 449 I C 1.194 177.447 176.117 0.227 0.000 1.124 449 I CA -0.122 61.240 61.300 0.104 0.000 1.273 449 I CB -0.332 37.725 38.000 0.095 0.000 1.578 449 I HN 0.802 nan 8.210 nan 0.000 0.572 450 T N -2.670 111.975 114.554 0.152 0.000 3.100 450 T HA 0.023 4.369 4.350 -0.006 0.000 0.253 450 T C 0.666 175.323 174.700 -0.071 0.000 1.118 450 T CA -0.034 62.130 62.100 0.108 0.000 1.058 450 T CB -0.010 68.892 68.868 0.057 0.000 0.953 450 T HN 0.211 nan 8.240 nan 0.000 0.515 451 D N 1.590 122.021 120.400 0.052 0.000 2.456 451 D HA 0.427 5.063 4.640 -0.006 0.000 0.219 451 D C -0.721 175.676 176.300 0.161 0.000 1.126 451 D CA -0.964 53.043 54.000 0.012 0.000 0.890 451 D CB -0.228 40.634 40.800 0.104 0.000 1.025 451 D HN 0.519 nan 8.370 nan 0.000 0.511 452 F N -0.160 119.886 119.950 0.160 0.000 2.662 452 F HA 0.711 5.234 4.527 -0.005 0.000 0.312 452 F C -0.713 175.203 175.800 0.194 0.000 1.113 452 F CA -0.982 57.150 58.000 0.220 0.000 0.951 452 F CB 1.867 41.014 39.000 0.246 0.000 1.344 452 F HN -0.029 nan 8.300 nan 0.000 0.462 453 T N 1.413 116.326 114.554 0.599 0.000 2.868 453 T HA 0.709 5.056 4.350 -0.006 0.000 0.306 453 T C -1.624 173.430 174.700 0.590 0.000 1.224 453 T CA -0.630 61.767 62.100 0.495 0.000 1.012 453 T CB 1.580 70.635 68.868 0.311 0.000 1.221 453 T HN 0.672 nan 8.240 nan 0.000 0.499 454 I N 3.076 123.943 120.570 0.496 0.000 2.433 454 I HA 0.404 4.570 4.170 -0.006 0.000 0.292 454 I C 0.706 177.019 176.117 0.327 0.000 1.001 454 I CA -0.967 60.582 61.300 0.415 0.000 1.119 454 I CB 2.232 40.406 38.000 0.289 0.000 1.289 454 I HN 0.712 nan 8.210 nan 0.000 0.438 455 S N 2.298 118.028 115.700 0.050 0.000 2.584 455 S HA 0.093 4.560 4.470 -0.006 0.000 0.270 455 S C 0.479 175.078 174.600 -0.002 0.000 1.346 455 S CA -0.547 57.535 58.200 -0.196 0.000 1.018 455 S CB 1.056 63.814 63.200 -0.737 0.000 0.899 455 S HN 0.583 nan 8.310 nan 0.000 0.542 456 D N 1.532 121.959 120.400 0.045 0.000 2.182 456 D HA -0.120 4.517 4.640 -0.006 0.000 0.201 456 D C 1.393 177.704 176.300 0.019 0.000 0.986 456 D CA 1.571 55.601 54.000 0.049 0.000 0.847 456 D CB -0.478 40.366 40.800 0.073 0.000 0.942 456 D HN 0.835 nan 8.370 nan 0.000 0.467 457 N N -0.708 117.994 118.700 0.003 0.000 2.383 457 N HA -0.003 4.734 4.740 -0.006 0.000 0.192 457 N C -0.057 175.435 175.510 -0.030 0.000 1.141 457 N CA 0.207 53.252 53.050 -0.007 0.000 0.851 457 N CB 0.229 38.721 38.487 0.008 0.000 0.976 457 N HN -0.228 nan 8.380 nan 0.000 0.465 458 S N -1.215 114.480 115.700 -0.008 0.000 3.270 458 S HA -0.278 4.188 4.470 -0.006 0.000 0.293 458 S C 1.057 175.681 174.600 0.040 0.000 1.278 458 S CA 1.213 59.472 58.200 0.100 0.000 1.038 458 S CB -1.393 61.898 63.200 0.151 0.000 1.218 458 S HN 0.778 nan 8.310 nan 0.000 0.659 459 R N -0.171 120.185 120.500 -0.239 0.000 2.140 459 R HA 0.278 4.615 4.340 -0.006 0.000 0.213 459 R C 0.031 175.889 176.300 -0.738 0.000 1.059 459 R CA 0.914 56.659 56.100 -0.592 0.000 1.000 459 R CB 0.270 29.978 30.300 -0.986 0.000 0.910 459 R HN 0.387 nan 8.270 nan 0.000 0.455 460 F N -0.012 119.807 119.950 -0.218 0.000 2.561 460 F HA 0.511 5.035 4.527 -0.006 0.000 0.321 460 F C -0.325 175.524 175.800 0.081 0.000 1.065 460 F CA -1.193 56.715 58.000 -0.153 0.000 0.934 460 F CB 1.798 40.618 39.000 -0.300 0.000 1.215 460 F HN -0.247 nan 8.300 nan 0.000 0.471 461 I N 2.010 122.881 120.570 0.502 0.000 2.468 461 I HA 0.536 4.702 4.170 -0.006 0.000 0.285 461 I C -0.770 175.739 176.117 0.652 0.000 1.039 461 I CA -0.651 60.999 61.300 0.584 0.000 1.074 461 I CB 1.667 39.971 38.000 0.506 0.000 1.228 461 I HN 0.700 nan 8.210 nan 0.000 0.436 462 A N 6.836 130.039 122.820 0.639 0.000 2.305 462 A HA 0.875 5.191 4.320 -0.006 0.000 0.322 462 A C -1.210 176.614 177.584 0.400 0.000 1.187 462 A CA -0.276 51.956 52.037 0.324 0.000 0.825 462 A CB 0.630 19.664 19.000 0.057 0.000 1.164 462 A HN 0.700 nan 8.150 nan 0.000 0.498 463 Y N -0.686 119.754 120.300 0.234 0.000 2.581 463 Y HA 0.691 5.237 4.550 -0.006 0.000 0.337 463 Y C 0.159 176.154 175.900 0.158 0.000 1.108 463 Y CA -0.981 57.266 58.100 0.245 0.000 1.033 463 Y CB 0.664 39.313 38.460 0.315 0.000 1.318 463 Y HN 0.836 nan 8.280 nan 0.000 0.459 464 G N 1.503 110.477 108.800 0.290 0.000 2.380 464 G HA2 0.386 4.343 3.960 -0.006 0.000 0.262 464 G HA3 0.386 4.343 3.960 -0.006 0.000 0.262 464 G C -1.882 173.159 174.900 0.235 0.000 1.243 464 G CA -0.388 44.811 45.100 0.165 0.000 0.865 464 G HN 0.701 nan 8.290 nan 0.000 0.513 465 F N 5.879 125.773 119.950 -0.093 0.000 2.359 465 F HA 0.436 4.959 4.527 -0.006 0.000 0.369 465 F C -1.946 173.787 175.800 -0.112 0.000 1.084 465 F CA -2.821 55.091 58.000 -0.146 0.000 1.096 465 F CB 2.063 40.693 39.000 -0.616 0.000 1.335 465 F HN 0.261 nan 8.300 nan 0.000 0.457 466 P HA 0.223 nan 4.420 nan 0.000 0.268 466 P C -1.309 175.676 177.300 -0.525 0.000 1.205 466 P CA 0.137 62.985 63.100 -0.420 0.000 0.771 466 P CB 1.474 32.935 31.700 -0.398 0.000 0.858 467 L N -0.414 120.680 121.223 -0.216 0.000 2.671 467 L HA 0.738 5.074 4.340 -0.006 0.000 0.259 467 L C -1.040 175.834 176.870 0.006 0.000 1.021 467 L CA -0.903 53.892 54.840 -0.075 0.000 0.871 467 L CB 1.980 44.105 42.059 0.110 0.000 1.472 467 L HN 0.112 nan 8.230 nan 0.000 0.410 468 K N -0.603 119.835 120.400 0.064 0.000 2.435 468 K HA 0.480 4.797 4.320 -0.006 0.000 0.251 468 K C -0.145 176.584 176.600 0.215 0.000 0.954 468 K CA -0.739 55.603 56.287 0.091 0.000 0.820 468 K CB 2.064 34.583 32.500 0.032 0.000 1.292 468 K HN 0.772 nan 8.250 nan 0.000 0.436 469 H N 0.079 119.160 119.070 0.018 0.000 2.384 469 H HA 0.043 4.596 4.556 -0.006 0.000 0.300 469 H C 0.821 176.158 175.328 0.016 0.000 1.057 469 H CA 0.201 56.261 56.048 0.020 0.000 1.370 469 H CB 0.681 30.454 29.762 0.019 0.000 1.417 469 H HN 0.608 nan 8.280 nan 0.000 0.527 470 G N -0.253 108.635 108.800 0.146 0.000 2.498 470 G HA2 0.154 4.111 3.960 -0.006 0.000 0.312 470 G HA3 0.154 4.111 3.960 -0.006 0.000 0.312 470 G C 0.230 175.154 174.900 0.041 0.000 1.230 470 G CA -0.428 44.716 45.100 0.074 0.000 0.968 470 G HN 0.260 nan 8.290 nan 0.000 0.481 471 E N -0.675 119.537 120.200 0.020 0.000 2.153 471 E HA -0.148 4.198 4.350 -0.006 0.000 0.194 471 E C 1.808 178.398 176.600 -0.016 0.000 0.988 471 E CA 1.828 58.229 56.400 0.001 0.000 0.811 471 E CB 0.078 29.773 29.700 -0.008 0.000 0.746 471 E HN 0.453 nan 8.360 nan 0.000 0.466 472 T N -1.420 113.123 114.554 -0.017 0.000 3.186 472 T HA 0.100 4.447 4.350 -0.006 0.000 0.257 472 T C 0.223 174.908 174.700 -0.026 0.000 1.029 472 T CA -0.501 61.578 62.100 -0.034 0.000 0.916 472 T CB 0.126 68.971 68.868 -0.039 0.000 1.041 472 T HN -0.033 nan 8.240 nan 0.000 0.562 473 D N 1.443 121.837 120.400 -0.011 0.000 2.455 473 D HA 0.160 4.797 4.640 -0.006 0.000 0.241 473 D C 1.396 177.668 176.300 -0.046 0.000 1.138 473 D CA 0.374 54.373 54.000 -0.002 0.000 0.877 473 D CB 1.314 42.123 40.800 0.015 0.000 1.187 473 D HN 0.340 nan 8.370 nan 0.000 0.451 474 G N 2.752 111.520 108.800 -0.052 0.000 2.744 474 G HA2 -0.098 3.859 3.960 -0.006 0.000 0.211 474 G HA3 -0.098 3.859 3.960 -0.006 0.000 0.211 474 G C 0.013 174.624 174.900 -0.481 0.000 1.143 474 G CA 0.444 45.404 45.100 -0.233 0.000 0.788 474 G HN 0.452 nan 8.290 nan 0.000 0.534 475 Y N -1.196 119.049 120.300 -0.091 0.000 2.462 475 Y HA 0.532 5.078 4.550 -0.006 0.000 0.346 475 Y C -0.437 175.383 175.900 -0.133 0.000 0.976 475 Y CA -0.996 57.033 58.100 -0.119 0.000 1.044 475 Y CB 2.528 40.913 38.460 -0.124 0.000 1.230 475 Y HN -0.198 nan 8.280 nan 0.000 0.455 476 V N 5.116 125.020 119.914 -0.017 0.000 2.394 476 V HA 0.327 4.444 4.120 -0.006 0.000 0.282 476 V C -0.003 176.054 176.094 -0.061 0.000 1.031 476 V CA -0.754 61.504 62.300 -0.071 0.000 0.881 476 V CB 0.958 32.698 31.823 -0.138 0.000 0.982 476 V HN 0.709 nan 8.190 nan 0.000 0.451 477 M N 3.690 123.267 119.600 -0.038 0.000 2.245 477 M HA 0.523 5.000 4.480 -0.006 0.000 0.292 477 M C -0.285 176.035 176.300 0.033 0.000 1.176 477 M CA -0.236 55.066 55.300 0.002 0.000 1.035 477 M CB 0.886 33.498 32.600 0.019 0.000 1.440 477 M HN 0.737 nan 8.290 nan 0.000 0.494 478 Q N 0.283 120.155 119.800 0.120 0.000 2.280 478 Q HA 0.666 5.003 4.340 -0.006 0.000 0.259 478 Q C -2.123 173.945 176.000 0.113 0.000 0.964 478 Q CA -0.415 55.471 55.803 0.137 0.000 0.844 478 Q CB 2.067 30.985 28.738 0.300 0.000 1.334 478 Q HN 0.854 nan 8.270 nan 0.000 0.423 479 A N 4.477 127.339 122.820 0.069 0.000 2.355 479 A HA 0.706 5.022 4.320 -0.006 0.000 0.324 479 A C -0.728 176.832 177.584 -0.039 0.000 1.117 479 A CA -0.703 51.348 52.037 0.025 0.000 0.785 479 A CB 0.977 20.031 19.000 0.090 0.000 1.254 479 A HN 0.722 nan 8.150 nan 0.000 0.453 480 I N 2.230 122.728 120.570 -0.119 0.000 2.428 480 I HA 0.265 4.431 4.170 -0.006 0.000 0.289 480 I C -0.290 175.806 176.117 -0.034 0.000 1.019 480 I CA 0.070 61.263 61.300 -0.178 0.000 1.351 480 I CB 0.548 38.313 38.000 -0.393 0.000 1.412 480 I HN 0.582 nan 8.210 nan 0.000 0.513 481 H N 4.128 122.930 119.070 -0.447 0.000 2.569 481 H HA 0.627 5.179 4.556 -0.006 0.000 0.357 481 H C -0.721 174.306 175.328 -0.503 0.000 1.153 481 H CA -0.722 55.011 56.048 -0.526 0.000 1.193 481 H CB 2.183 31.494 29.762 -0.752 0.000 1.602 481 H HN 0.179 nan 8.280 nan 0.000 0.523 482 V N 3.235 123.121 119.914 -0.047 0.000 2.531 482 V HA 0.152 4.268 4.120 -0.006 0.000 0.301 482 V C -1.113 175.187 176.094 0.344 0.000 1.034 482 V CA -0.904 61.487 62.300 0.152 0.000 0.865 482 V CB 1.569 33.469 31.823 0.128 0.000 0.995 482 V HN 0.639 nan 8.190 nan 0.000 0.424 483 Y N 3.578 124.075 120.300 0.328 0.000 2.331 483 Y HA 0.523 5.070 4.550 -0.006 0.000 0.338 483 Y C -0.144 175.937 175.900 0.300 0.000 0.992 483 Y CA -1.110 57.169 58.100 0.299 0.000 1.121 483 Y CB 1.377 40.002 38.460 0.275 0.000 1.184 483 Y HN 0.687 nan 8.280 nan 0.000 0.469 484 D N 7.027 127.217 120.400 -0.350 0.000 2.359 484 D HA 0.111 4.747 4.640 -0.006 0.000 0.230 484 D C 0.947 176.753 176.300 -0.823 0.000 1.118 484 D CA -0.175 53.624 54.000 -0.335 0.000 0.844 484 D CB 0.995 41.806 40.800 0.019 0.000 1.059 484 D HN 0.696 nan 8.370 nan 0.000 0.493 485 M N 1.857 121.042 119.600 -0.691 0.000 2.202 485 M HA -0.132 4.345 4.480 -0.006 0.000 0.262 485 M C 0.360 176.459 176.300 -0.335 0.000 1.063 485 M CA 1.318 56.313 55.300 -0.508 0.000 1.097 485 M CB -0.501 31.895 32.600 -0.340 0.000 1.382 485 M HN 0.357 nan 8.290 nan 0.000 0.413 486 E N -0.296 119.724 120.200 -0.300 0.000 2.200 486 E HA 0.414 4.760 4.350 -0.006 0.000 0.283 486 E C 0.943 177.468 176.600 -0.126 0.000 1.015 486 E CA 0.210 56.505 56.400 -0.174 0.000 0.819 486 E CB 0.837 30.448 29.700 -0.149 0.000 1.081 486 E HN 0.450 nan 8.360 nan 0.000 0.397 487 G N 3.668 112.424 108.800 -0.073 0.000 2.268 487 G HA2 -0.410 3.547 3.960 -0.006 0.000 0.240 487 G HA3 -0.410 3.547 3.960 -0.006 0.000 0.240 487 G C 0.493 175.374 174.900 -0.032 0.000 1.010 487 G CA -0.012 45.075 45.100 -0.022 0.000 0.618 487 G HN 0.614 nan 8.290 nan 0.000 0.516 488 R N -0.031 120.402 120.500 -0.112 0.000 3.225 488 R HA -0.203 4.134 4.340 -0.006 0.000 0.245 488 R C 0.351 176.706 176.300 0.091 0.000 0.928 488 R CA 1.747 57.830 56.100 -0.029 0.000 0.632 488 R CB -1.622 28.746 30.300 0.113 0.000 1.038 488 R HN 0.881 nan 8.270 nan 0.000 0.461 489 K N -0.034 120.355 120.400 -0.019 0.000 2.385 489 K HA 0.628 4.945 4.320 -0.006 0.000 0.248 489 K C -0.356 176.197 176.600 -0.079 0.000 0.955 489 K CA -1.007 55.235 56.287 -0.076 0.000 0.816 489 K CB 2.110 34.458 32.500 -0.255 0.000 1.250 489 K HN -0.014 nan 8.250 nan 0.000 0.434 490 I N 2.392 122.841 120.570 -0.201 0.000 2.336 490 I HA 0.340 4.506 4.170 -0.006 0.000 0.292 490 I C -0.880 174.936 176.117 -0.501 0.000 0.991 490 I CA -0.816 60.411 61.300 -0.121 0.000 1.227 490 I CB 0.576 38.545 38.000 -0.052 0.000 1.366 490 I HN 0.443 nan 8.210 nan 0.000 0.466 491 F N 3.717 123.603 119.950 -0.106 0.000 2.523 491 F HA 0.653 5.176 4.527 -0.006 0.000 0.329 491 F C 0.476 176.115 175.800 -0.269 0.000 1.061 491 F CA -0.899 57.011 58.000 -0.151 0.000 0.967 491 F CB 1.500 40.454 39.000 -0.077 0.000 1.218 491 F HN 0.363 nan 8.300 nan 0.000 0.480 492 A N 0.900 123.690 122.820 -0.049 0.000 2.279 492 A HA 0.615 4.932 4.320 -0.006 0.000 0.306 492 A C 0.705 178.305 177.584 0.027 0.000 1.300 492 A CA 0.066 52.004 52.037 -0.165 0.000 0.925 492 A CB 0.142 18.981 19.000 -0.268 0.000 1.152 492 A HN 0.964 nan 8.150 nan 0.000 0.544 493 A N 2.344 125.142 122.820 -0.037 0.000 2.016 493 A HA 0.317 4.633 4.320 -0.006 0.000 0.217 493 A C 1.277 178.823 177.584 -0.063 0.000 1.162 493 A CA 1.808 53.807 52.037 -0.064 0.000 0.662 493 A CB -0.046 18.834 19.000 -0.199 0.000 0.812 493 A HN 0.853 nan 8.150 nan 0.000 0.450 494 T N -1.689 112.798 114.554 -0.113 0.000 2.864 494 T HA 0.490 4.837 4.350 -0.006 0.000 0.299 494 T C -0.024 174.576 174.700 -0.167 0.000 1.166 494 T CA 0.124 62.148 62.100 -0.125 0.000 1.007 494 T CB 1.255 69.946 68.868 -0.295 0.000 1.219 494 T HN 0.435 nan 8.240 nan 0.000 0.506 495 T N 0.254 114.724 114.554 -0.141 0.000 2.788 495 T HA 0.372 4.718 4.350 -0.006 0.000 0.287 495 T C 0.522 175.184 174.700 -0.063 0.000 1.007 495 T CA -0.445 61.555 62.100 -0.167 0.000 1.005 495 T CB 0.435 69.251 68.868 -0.087 0.000 1.012 495 T HN 0.733 nan 8.240 nan 0.000 0.530 496 E N -0.175 120.015 120.200 -0.017 0.000 2.542 496 E HA 0.243 4.589 4.350 -0.006 0.000 0.224 496 E C 0.071 176.783 176.600 0.187 0.000 1.110 496 E CA -0.423 56.031 56.400 0.090 0.000 1.350 496 E CB -0.634 29.136 29.700 0.116 0.000 1.302 496 E HN 0.700 nan 8.360 nan 0.000 0.435 497 N N 0.596 119.357 118.700 0.102 0.000 2.236 497 N HA -0.006 4.730 4.740 -0.006 0.000 0.196 497 N C 0.194 175.713 175.510 0.015 0.000 1.114 497 N CA 0.308 53.407 53.050 0.081 0.000 0.859 497 N CB 0.656 39.178 38.487 0.058 0.000 0.982 497 N HN 0.307 nan 8.380 nan 0.000 0.493 498 S N -1.205 114.521 115.700 0.043 0.000 3.813 498 S HA 0.126 4.593 4.470 -0.006 0.000 0.309 498 S C -1.487 173.213 174.600 0.168 0.000 1.136 498 S CA -0.845 57.392 58.200 0.063 0.000 1.190 498 S CB 1.123 64.356 63.200 0.055 0.000 1.582 498 S HN 0.116 nan 8.310 nan 0.000 0.647 499 H N 1.358 120.494 119.070 0.110 0.000 2.685 499 H HA 0.485 5.037 4.556 -0.006 0.000 0.307 499 H C -1.598 173.906 175.328 0.293 0.000 1.017 499 H CA -0.575 55.582 56.048 0.182 0.000 1.237 499 H CB 0.458 30.358 29.762 0.229 0.000 1.409 499 H HN 0.510 nan 8.280 nan 0.000 0.488 500 D N 5.779 126.249 120.400 0.116 0.000 2.217 500 D HA 0.196 4.832 4.640 -0.006 0.000 0.243 500 D C -0.449 175.912 176.300 0.101 0.000 1.054 500 D CA -0.057 53.993 54.000 0.084 0.000 0.838 500 D CB 1.952 42.723 40.800 -0.049 0.000 1.162 500 D HN 0.584 nan 8.370 nan 0.000 0.472 501 Y N -2.139 118.088 120.300 -0.123 0.000 2.840 501 Y HA 0.554 5.100 4.550 -0.006 0.000 0.324 501 Y C 0.020 175.928 175.900 0.014 0.000 1.378 501 Y CA -1.484 56.558 58.100 -0.097 0.000 1.077 501 Y CB 0.575 38.909 38.460 -0.211 0.000 1.361 501 Y HN 0.382 nan 8.280 nan 0.000 0.459 502 A N -0.065 122.804 122.820 0.082 0.000 2.745 502 A HA -0.138 4.179 4.320 -0.006 0.000 0.296 502 A C -2.474 175.105 177.584 -0.009 0.000 1.500 502 A CA 0.348 52.395 52.037 0.016 0.000 0.766 502 A CB -2.651 16.319 19.000 -0.050 0.000 1.030 502 A HN 0.597 nan 8.150 nan 0.000 0.489 503 P HA 0.401 nan 4.420 nan 0.000 0.268 503 P C -0.152 177.127 177.300 -0.035 0.000 1.208 503 P CA 0.977 64.069 63.100 -0.013 0.000 0.777 503 P CB 0.994 32.657 31.700 -0.063 0.000 0.875 504 A N 2.442 125.207 122.820 -0.091 0.000 2.491 504 A HA 0.595 4.912 4.320 -0.006 0.000 0.293 504 A C -1.099 176.456 177.584 -0.049 0.000 1.047 504 A CA -0.563 51.456 52.037 -0.030 0.000 0.735 504 A CB 0.533 19.544 19.000 0.018 0.000 1.281 504 A HN 0.302 nan 8.150 nan 0.000 0.398 505 F N 1.642 121.704 119.950 0.186 0.000 2.370 505 F HA 0.434 4.958 4.527 -0.005 0.000 0.324 505 F C 0.845 176.762 175.800 0.195 0.000 1.116 505 F CA 0.024 58.148 58.000 0.206 0.000 1.123 505 F CB 1.231 40.338 39.000 0.180 0.000 1.238 505 F HN 0.705 nan 8.300 nan 0.000 0.536 506 D N 0.988 121.657 120.400 0.448 0.000 2.312 506 D HA 0.308 4.945 4.640 -0.006 0.000 0.248 506 D C 0.803 177.248 176.300 0.242 0.000 1.086 506 D CA -0.430 53.742 54.000 0.286 0.000 0.948 506 D CB 0.869 41.862 40.800 0.322 0.000 1.162 506 D HN 0.559 nan 8.370 nan 0.000 0.446 507 A N 1.193 124.107 122.820 0.158 0.000 1.958 507 A HA -0.264 4.052 4.320 -0.006 0.000 0.221 507 A C 1.510 179.173 177.584 0.131 0.000 1.178 507 A CA 1.858 53.971 52.037 0.128 0.000 0.642 507 A CB -0.686 18.366 19.000 0.087 0.000 0.816 507 A HN 0.597 nan 8.150 nan 0.000 0.453 508 D N -0.529 119.954 120.400 0.140 0.000 2.371 508 D HA 0.104 4.740 4.640 -0.006 0.000 0.221 508 D C 0.546 176.948 176.300 0.171 0.000 0.986 508 D CA 1.025 55.103 54.000 0.130 0.000 0.899 508 D CB -0.102 40.766 40.800 0.114 0.000 0.902 508 D HN 0.295 nan 8.370 nan 0.000 0.530 509 S N -0.901 114.927 115.700 0.213 0.000 3.698 509 S HA -0.220 4.246 4.470 -0.006 0.000 0.338 509 S C 1.195 175.991 174.600 0.327 0.000 1.089 509 S CA 0.614 58.961 58.200 0.245 0.000 0.991 509 S CB -1.137 62.185 63.200 0.203 0.000 0.909 509 S HN 0.446 nan 8.310 nan 0.000 0.485 510 K N -0.315 120.254 120.400 0.282 0.000 2.365 510 K HA 0.162 4.479 4.320 -0.006 0.000 0.195 510 K C 0.091 176.806 176.600 0.193 0.000 1.079 510 K CA 0.394 56.828 56.287 0.246 0.000 0.979 510 K CB 0.236 32.825 32.500 0.148 0.000 0.929 510 K HN 0.472 nan 8.250 nan 0.000 0.523 511 N N 0.532 119.355 118.700 0.206 0.000 2.229 511 N HA 0.281 5.017 4.740 -0.006 0.000 0.298 511 N C -1.932 173.643 175.510 0.108 0.000 1.114 511 N CA -0.690 52.402 53.050 0.071 0.000 0.776 511 N CB 2.153 40.593 38.487 -0.077 0.000 1.501 511 N HN -0.134 nan 8.380 nan 0.000 0.474 512 L N 2.292 123.473 121.223 -0.070 0.000 2.287 512 L HA 0.536 4.873 4.340 -0.006 0.000 0.287 512 L C -1.633 175.132 176.870 -0.174 0.000 1.022 512 L CA -0.450 54.286 54.840 -0.174 0.000 0.814 512 L CB -0.091 41.815 42.059 -0.254 0.000 1.217 512 L HN 0.497 nan 8.230 nan 0.000 0.420 513 Y N 5.304 125.559 120.300 -0.076 0.000 2.419 513 Y HA 0.674 5.221 4.550 -0.006 0.000 0.328 513 Y C -0.329 175.578 175.900 0.011 0.000 1.162 513 Y CA -0.068 57.998 58.100 -0.055 0.000 1.174 513 Y CB 1.511 39.916 38.460 -0.092 0.000 1.228 513 Y HN 0.649 nan 8.280 nan 0.000 0.473 514 Y N -1.509 118.792 120.300 0.002 0.000 2.779 514 Y HA 0.744 5.290 4.550 -0.006 0.000 0.340 514 Y C -2.378 173.425 175.900 -0.161 0.000 1.252 514 Y CA -1.879 56.147 58.100 -0.124 0.000 1.072 514 Y CB 0.792 39.155 38.460 -0.161 0.000 1.343 514 Y HN 0.405 nan 8.280 nan 0.000 0.450 515 L N 1.492 122.508 121.223 -0.345 0.000 2.303 515 L HA 0.908 5.245 4.340 -0.006 0.000 0.266 515 L C -0.674 175.916 176.870 -0.466 0.000 1.011 515 L CA -0.961 53.548 54.840 -0.553 0.000 0.818 515 L CB 2.333 43.833 42.059 -0.932 0.000 1.326 515 L HN 0.846 nan 8.230 nan 0.000 0.435 516 S N -1.112 114.479 115.700 -0.182 0.000 2.570 516 S HA 0.445 4.911 4.470 -0.006 0.000 0.270 516 S C -1.236 173.375 174.600 0.018 0.000 1.149 516 S CA -0.552 57.670 58.200 0.038 0.000 0.837 516 S CB 1.444 64.665 63.200 0.036 0.000 1.124 516 S HN 0.359 nan 8.310 nan 0.000 0.465 517 Y N 1.093 121.566 120.300 0.288 0.000 2.839 517 Y HA 0.333 4.879 4.550 -0.006 0.000 0.361 517 Y C 1.444 177.401 175.900 0.095 0.000 1.008 517 Y CA -0.500 57.717 58.100 0.195 0.000 1.534 517 Y CB -0.148 38.418 38.460 0.177 0.000 1.395 517 Y HN 0.518 nan 8.280 nan 0.000 0.534 518 R N -1.397 119.229 120.500 0.210 0.000 2.334 518 R HA 0.161 4.498 4.340 -0.006 0.000 0.212 518 R C 0.638 177.012 176.300 0.122 0.000 0.897 518 R CA 0.131 56.305 56.100 0.124 0.000 1.056 518 R CB 0.410 30.754 30.300 0.074 0.000 1.046 518 R HN -0.006 nan 8.270 nan 0.000 0.513 519 S N 2.173 117.973 115.700 0.167 0.000 4.069 519 S HA 0.200 4.667 4.470 -0.006 0.000 0.192 519 S C 0.220 174.888 174.600 0.114 0.000 1.441 519 S CA -0.190 58.093 58.200 0.139 0.000 0.994 519 S CB -0.235 63.046 63.200 0.136 0.000 1.456 519 S HN 0.210 nan 8.310 nan 0.000 0.458 520 L N 2.687 123.938 121.223 0.047 0.000 2.559 520 L HA 0.147 4.484 4.340 -0.006 0.000 0.274 520 L C 0.245 177.243 176.870 0.213 0.000 1.205 520 L CA 0.331 55.200 54.840 0.048 0.000 0.907 520 L CB -0.009 41.965 42.059 -0.142 0.000 1.153 520 L HN 0.342 nan 8.230 nan 0.000 0.490 521 D N 4.900 125.530 120.400 0.383 0.000 2.688 521 D HA 0.289 4.926 4.640 -0.006 0.000 0.210 521 D C -2.714 173.729 176.300 0.238 0.000 1.333 521 D CA -0.966 53.187 54.000 0.256 0.000 0.920 521 D CB 2.289 43.183 40.800 0.157 0.000 1.554 521 D HN 0.088 nan 8.370 nan 0.000 0.579 522 P HA 0.362 nan 4.420 nan 0.000 0.277 522 P C -0.692 176.629 177.300 0.034 0.000 1.240 522 P CA -0.480 62.548 63.100 -0.120 0.000 0.798 522 P CB 1.133 32.685 31.700 -0.247 0.000 0.979 523 S N 2.444 118.171 115.700 0.044 0.000 2.482 523 S HA 0.519 4.985 4.470 -0.006 0.000 0.303 523 S C -2.426 172.239 174.600 0.109 0.000 1.091 523 S CA -1.280 56.970 58.200 0.084 0.000 1.057 523 S CB 1.448 64.657 63.200 0.014 0.000 1.031 523 S HN 0.436 nan 8.310 nan 0.000 0.485 524 P HA 0.146 nan 4.420 nan 0.000 0.278 524 P C -0.991 176.106 177.300 -0.337 0.000 1.238 524 P CA -0.391 62.502 63.100 -0.345 0.000 0.794 524 P CB 0.673 32.298 31.700 -0.125 0.000 0.955 525 D N 2.470 122.572 120.400 -0.497 0.000 2.304 525 D HA 0.054 4.691 4.640 -0.006 0.000 0.250 525 D C 0.941 177.090 176.300 -0.252 0.000 1.107 525 D CA -0.346 53.459 54.000 -0.326 0.000 0.885 525 D CB 0.951 41.534 40.800 -0.362 0.000 1.192 525 D HN 0.113 nan 8.370 nan 0.000 0.436 526 R N 2.587 122.988 120.500 -0.165 0.000 2.275 526 R HA 0.048 4.385 4.340 -0.006 0.000 0.199 526 R C 1.206 177.444 176.300 -0.103 0.000 0.989 526 R CA 0.316 56.346 56.100 -0.117 0.000 1.016 526 R CB -0.051 30.203 30.300 -0.076 0.000 0.918 526 R HN 0.336 nan 8.270 nan 0.000 0.473 527 V N -0.651 119.188 119.914 -0.125 0.000 2.996 527 V HA 0.151 4.267 4.120 -0.006 0.000 0.235 527 V C 0.730 176.757 176.094 -0.111 0.000 1.205 527 V CA 0.343 62.585 62.300 -0.098 0.000 1.225 527 V CB 0.636 32.410 31.823 -0.081 0.000 0.995 527 V HN -0.212 nan 8.190 nan 0.000 0.484 528 V N 1.707 121.508 119.914 -0.189 0.000 2.630 528 V HA 0.423 4.540 4.120 -0.006 0.000 0.305 528 V C -0.219 175.761 176.094 -0.189 0.000 1.046 528 V CA -0.704 61.485 62.300 -0.185 0.000 0.934 528 V CB 1.952 33.541 31.823 -0.390 0.000 1.003 528 V HN 0.336 nan 8.190 nan 0.000 0.451 529 L N 5.206 126.368 121.223 -0.100 0.000 2.623 529 L HA 0.311 4.648 4.340 -0.006 0.000 0.281 529 L C -0.011 176.774 176.870 -0.141 0.000 1.150 529 L CA 1.153 55.931 54.840 -0.104 0.000 0.965 529 L CB -1.344 40.719 42.059 0.006 0.000 1.303 529 L HN 0.882 nan 8.230 nan 0.000 0.467 530 N N 3.234 121.717 118.700 -0.362 0.000 3.046 530 N HA 0.508 5.245 4.740 -0.006 0.000 0.243 530 N C -1.836 173.275 175.510 -0.664 0.000 1.452 530 N CA -0.597 52.277 53.050 -0.293 0.000 0.882 530 N CB 1.048 39.399 38.487 -0.226 0.000 1.425 530 N HN 0.256 nan 8.380 nan 0.000 0.517 531 F N 0.385 120.256 119.950 -0.131 0.000 2.641 531 F HA 0.485 5.010 4.527 -0.004 0.000 0.308 531 F C -0.157 175.475 175.800 -0.281 0.000 1.105 531 F CA -0.374 57.510 58.000 -0.193 0.000 0.964 531 F CB 2.143 41.019 39.000 -0.207 0.000 1.294 531 F HN 0.524 nan 8.300 nan 0.000 0.442 532 S N 0.341 115.939 115.700 -0.170 0.000 2.607 532 S HA 0.726 5.192 4.470 -0.006 0.000 0.273 532 S C -1.477 172.873 174.600 -0.417 0.000 1.148 532 S CA -0.895 57.118 58.200 -0.311 0.000 0.833 532 S CB 1.294 64.422 63.200 -0.121 0.000 1.130 532 S HN 0.330 nan 8.310 nan 0.000 0.470 533 F N 2.208 122.175 119.950 0.029 0.000 2.423 533 F HA 0.414 4.938 4.527 -0.004 0.000 0.356 533 F C 1.508 177.309 175.800 0.002 0.000 1.170 533 F CA -0.482 57.532 58.000 0.023 0.000 1.163 533 F CB 0.692 39.699 39.000 0.011 0.000 1.318 533 F HN 0.613 nan 8.300 nan 0.000 0.569 534 E N 1.699 121.969 120.200 0.117 0.000 2.132 534 E HA 0.042 4.388 4.350 -0.006 0.000 0.193 534 E C 0.682 177.337 176.600 0.091 0.000 0.951 534 E CA 0.708 57.148 56.400 0.067 0.000 0.843 534 E CB 0.175 29.887 29.700 0.020 0.000 0.807 534 E HN 0.328 nan 8.360 nan 0.000 0.467 535 V N 0.451 120.429 119.914 0.108 0.000 2.266 535 V HA 0.389 4.506 4.120 -0.006 0.000 0.266 535 V C 0.349 176.518 176.094 0.125 0.000 1.036 535 V CA -0.593 61.756 62.300 0.081 0.000 0.828 535 V CB 0.717 32.563 31.823 0.038 0.000 1.081 535 V HN 0.015 nan 8.190 nan 0.000 0.449 536 V N -0.039 119.989 119.914 0.190 0.000 3.111 536 V HA 0.516 4.632 4.120 -0.006 0.000 0.343 536 V C 0.370 176.606 176.094 0.236 0.000 1.417 536 V CA 0.521 62.954 62.300 0.221 0.000 1.142 536 V CB 0.142 32.126 31.823 0.269 0.000 1.114 536 V HN 0.649 nan 8.190 nan 0.000 0.520 537 S N 1.569 117.341 115.700 0.121 0.000 2.508 537 S HA 0.717 5.183 4.470 -0.006 0.000 0.284 537 S C -0.530 174.081 174.600 0.018 0.000 1.192 537 S CA -0.376 57.816 58.200 -0.014 0.000 1.070 537 S CB 1.245 64.355 63.200 -0.151 0.000 1.004 537 S HN 0.702 nan 8.310 nan 0.000 0.493 538 K N 3.867 124.325 120.400 0.096 0.000 2.527 538 K HA 0.565 4.881 4.320 -0.006 0.000 0.260 538 K C -2.981 173.598 176.600 -0.035 0.000 0.937 538 K CA -2.109 54.213 56.287 0.059 0.000 0.826 538 K CB 2.126 34.584 32.500 -0.071 0.000 1.359 538 K HN 0.374 nan 8.250 nan 0.000 0.434 539 P HA 0.395 nan 4.420 nan 0.000 0.284 539 P C -1.160 175.809 177.300 -0.552 0.000 1.258 539 P CA -0.343 62.585 63.100 -0.288 0.000 0.824 539 P CB 0.744 32.270 31.700 -0.290 0.000 1.038 540 F N -0.272 119.348 119.950 -0.550 0.000 2.643 540 F HA 0.561 5.084 4.527 -0.006 0.000 0.314 540 F C -0.085 175.365 175.800 -0.583 0.000 1.096 540 F CA -0.885 56.776 58.000 -0.564 0.000 0.953 540 F CB 2.010 40.561 39.000 -0.749 0.000 1.345 540 F HN 0.086 nan 8.300 nan 0.000 0.468 541 V N 2.580 122.378 119.914 -0.193 0.000 3.078 541 V HA 0.732 4.848 4.120 -0.006 0.000 0.311 541 V C -1.583 174.434 176.094 -0.128 0.000 1.138 541 V CA -0.772 61.325 62.300 -0.338 0.000 1.007 541 V CB 2.505 33.968 31.823 -0.599 0.000 1.045 541 V HN 0.602 nan 8.190 nan 0.000 0.432 542 I N 5.614 126.093 120.570 -0.152 0.000 2.529 542 I HA 0.402 4.568 4.170 -0.006 0.000 0.284 542 I C -2.697 173.361 176.117 -0.099 0.000 1.088 542 I CA -1.639 59.624 61.300 -0.063 0.000 1.062 542 I CB 2.678 40.683 38.000 0.008 0.000 1.218 542 I HN 0.475 nan 8.210 nan 0.000 0.442 543 P HA 0.183 nan 4.420 nan 0.000 0.276 543 P C 0.570 177.852 177.300 -0.030 0.000 1.235 543 P CA -0.188 62.886 63.100 -0.045 0.000 0.772 543 P CB 1.281 32.959 31.700 -0.035 0.000 0.871 544 L N 2.593 123.823 121.223 0.012 0.000 2.465 544 L HA 0.094 4.430 4.340 -0.006 0.000 0.224 544 L C 1.114 178.044 176.870 0.100 0.000 1.145 544 L CA 0.832 55.679 54.840 0.012 0.000 0.834 544 L CB -0.300 41.781 42.059 0.036 0.000 0.944 544 L HN 0.341 nan 8.230 nan 0.000 0.451 545 I N 0.855 121.464 120.570 0.066 0.000 2.371 545 I HA 0.270 4.436 4.170 -0.006 0.000 0.282 545 I C -2.208 173.902 176.117 -0.012 0.000 1.031 545 I CA -2.068 59.246 61.300 0.023 0.000 1.180 545 I CB 1.303 39.292 38.000 -0.018 0.000 1.336 545 I HN -0.265 nan 8.210 nan 0.000 0.467 546 P HA -0.032 nan 4.420 nan 0.000 0.263 546 P C 0.952 178.234 177.300 -0.030 0.000 1.168 546 P CA 0.937 64.016 63.100 -0.035 0.000 0.759 546 P CB 0.515 32.192 31.700 -0.039 0.000 0.782 547 G N 1.189 109.971 108.800 -0.030 0.000 2.199 547 G HA2 -0.238 3.718 3.960 -0.006 0.000 0.254 547 G HA3 -0.238 3.718 3.960 -0.006 0.000 0.254 547 G C 0.445 175.333 174.900 -0.020 0.000 0.982 547 G CA 0.148 45.234 45.100 -0.024 0.000 0.632 547 G HN 0.725 nan 8.290 nan 0.000 0.529 548 S N 2.379 118.067 115.700 -0.021 0.000 2.480 548 S HA 0.674 5.140 4.470 -0.006 0.000 0.286 548 S C -1.584 173.006 174.600 -0.017 0.000 1.180 548 S CA -0.830 57.360 58.200 -0.015 0.000 1.075 548 S CB 1.696 64.889 63.200 -0.012 0.000 0.996 548 S HN 0.365 nan 8.310 nan 0.000 0.487 549 P HA 0.185 nan 4.420 nan 0.000 0.279 549 P C -0.877 176.413 177.300 -0.016 0.000 1.276 549 P CA -0.815 62.278 63.100 -0.013 0.000 0.801 549 P CB 0.414 32.110 31.700 -0.006 0.000 1.127 550 N N 1.900 120.588 118.700 -0.021 0.000 2.429 550 N HA -0.009 4.727 4.740 -0.006 0.000 0.271 550 N C -1.213 174.296 175.510 -0.001 0.000 1.272 550 N CA -1.459 51.571 53.050 -0.033 0.000 0.921 550 N CB -0.012 38.454 38.487 -0.036 0.000 1.128 550 N HN 0.191 nan 8.380 nan 0.000 0.481 551 P HA -0.175 nan 4.420 nan 0.000 0.216 551 P C 0.981 178.328 177.300 0.078 0.000 1.150 551 P CA 1.600 64.735 63.100 0.059 0.000 0.843 551 P CB -0.202 31.559 31.700 0.102 0.000 0.787 552 T N -3.428 111.183 114.554 0.095 0.000 3.113 552 T HA 0.021 4.367 4.350 -0.006 0.000 0.263 552 T C 1.604 176.354 174.700 0.082 0.000 1.143 552 T CA 0.582 62.755 62.100 0.121 0.000 1.090 552 T CB -0.654 68.306 68.868 0.154 0.000 0.922 552 T HN 0.153 nan 8.240 nan 0.000 0.521 553 K N 0.723 121.150 120.400 0.044 0.000 2.486 553 K HA 0.286 4.602 4.320 -0.006 0.000 0.194 553 K C 0.410 177.027 176.600 0.029 0.000 1.033 553 K CA -0.017 56.288 56.287 0.029 0.000 1.004 553 K CB -0.367 32.139 32.500 0.011 0.000 0.798 553 K HN 0.391 nan 8.250 nan 0.000 0.495 554 L N 1.073 122.317 121.223 0.034 0.000 3.677 554 L HA -0.199 4.137 4.340 -0.006 0.000 0.464 554 L C -0.583 176.297 176.870 0.016 0.000 1.278 554 L CA -0.216 54.639 54.840 0.025 0.000 0.806 554 L CB -1.900 40.172 42.059 0.022 0.000 1.610 554 L HN -0.108 nan 8.230 nan 0.000 0.867 555 V N 0.186 120.108 119.914 0.014 0.000 2.488 555 V HA 0.236 4.352 4.120 -0.006 0.000 0.277 555 V C -1.311 174.788 176.094 0.008 0.000 1.046 555 V CA -1.258 61.047 62.300 0.009 0.000 0.986 555 V CB 0.833 32.659 31.823 0.006 0.000 0.989 555 V HN 0.153 nan 8.190 nan 0.000 0.475 556 P HA 0.030 nan 4.420 nan 0.000 0.261 556 P C 0.707 178.009 177.300 0.004 0.000 1.173 556 P CA -0.093 63.009 63.100 0.005 0.000 0.760 556 P CB 0.468 32.170 31.700 0.003 0.000 0.783 557 R N 3.864 124.366 120.500 0.004 0.000 2.105 557 R HA -0.167 4.170 4.340 -0.006 0.000 0.239 557 R C 1.866 178.167 176.300 0.001 0.000 1.135 557 R CA 2.439 58.541 56.100 0.003 0.000 0.967 557 R CB -1.306 28.996 30.300 0.004 0.000 0.861 557 R HN 0.525 nan 8.270 nan 0.000 0.442 558 S N -0.739 114.961 115.700 0.000 0.000 2.419 558 S HA -0.124 4.343 4.470 -0.006 0.000 0.233 558 S C 1.832 176.431 174.600 -0.002 0.000 1.016 558 S CA 1.391 59.590 58.200 -0.001 0.000 0.974 558 S CB -0.231 62.968 63.200 -0.001 0.000 0.786 558 S HN 0.414 nan 8.310 nan 0.000 0.492 559 M N 2.020 121.620 119.600 -0.001 0.000 2.495 559 M HA 0.134 4.610 4.480 -0.006 0.000 0.237 559 M C 0.216 176.515 176.300 -0.003 0.000 1.131 559 M CA 0.254 55.553 55.300 -0.002 0.000 1.032 559 M CB 0.328 32.928 32.600 -0.001 0.000 1.513 559 M HN 0.436 nan 8.290 nan 0.000 0.488 560 T N -1.311 113.242 114.554 -0.003 0.000 2.807 560 T HA 0.455 4.802 4.350 -0.006 0.000 0.279 560 T C 0.174 174.871 174.700 -0.006 0.000 0.993 560 T CA -0.869 61.229 62.100 -0.004 0.000 0.970 560 T CB 1.521 70.388 68.868 -0.003 0.000 0.950 560 T HN 0.165 nan 8.240 nan 0.000 0.441 561 S N 2.234 117.929 115.700 -0.008 0.000 3.158 561 S HA 0.404 4.870 4.470 -0.006 0.000 0.215 561 S C 0.051 174.643 174.600 -0.013 0.000 1.359 561 S CA -0.752 57.442 58.200 -0.010 0.000 0.974 561 S CB 0.026 63.220 63.200 -0.010 0.000 1.336 561 S HN 0.732 nan 8.310 nan 0.000 0.488 562 E N 2.474 122.666 120.200 -0.014 0.000 4.019 562 E HA 0.687 5.033 4.350 -0.006 0.000 0.547 562 E C 0.891 177.477 176.600 -0.024 0.000 0.480 562 E CA 0.441 56.830 56.400 -0.018 0.000 3.361 562 E CB -0.347 29.343 29.700 -0.016 0.000 2.299 562 E HN 1.075 nan 8.360 nan 0.000 0.456 563 A N -0.792 122.010 122.820 -0.030 0.000 3.002 563 A HA -0.047 4.269 4.320 -0.006 0.000 0.272 563 A C 0.609 178.166 177.584 -0.045 0.000 1.421 563 A CA 0.671 52.685 52.037 -0.038 0.000 0.766 563 A CB -2.265 16.718 19.000 -0.028 0.000 1.034 563 A HN 0.452 nan 8.150 nan 0.000 0.541 564 G N -1.264 107.504 108.800 -0.053 0.000 2.702 564 G HA2 0.638 4.594 3.960 -0.006 0.000 0.254 564 G HA3 0.638 4.594 3.960 -0.006 0.000 0.254 564 G C -0.227 174.621 174.900 -0.086 0.000 1.380 564 G CA 0.315 45.382 45.100 -0.055 0.000 1.042 564 G HN 0.736 nan 8.290 nan 0.000 0.557 565 E N -1.706 118.447 120.200 -0.078 0.000 2.359 565 E HA 0.360 4.706 4.350 -0.006 0.000 0.266 565 E C -1.068 175.501 176.600 -0.052 0.000 0.920 565 E CA -0.815 55.517 56.400 -0.113 0.000 0.788 565 E CB 1.755 31.418 29.700 -0.062 0.000 1.279 565 E HN 0.438 nan 8.360 nan 0.000 0.438 566 Y N 1.293 121.589 120.300 -0.006 0.000 2.810 566 Y HA -0.006 4.541 4.550 -0.006 0.000 0.332 566 Y C 0.393 176.252 175.900 -0.070 0.000 1.243 566 Y CA 0.465 58.552 58.100 -0.022 0.000 1.537 566 Y CB 0.508 39.008 38.460 0.067 0.000 1.265 566 Y HN 0.306 nan 8.280 nan 0.000 0.572 567 D N 4.536 124.972 120.400 0.060 0.000 2.452 567 D HA 0.141 4.777 4.640 -0.006 0.000 0.226 567 D C -0.510 175.658 176.300 -0.220 0.000 1.366 567 D CA -0.332 53.621 54.000 -0.079 0.000 0.986 567 D CB 0.897 41.671 40.800 -0.042 0.000 1.420 567 D HN 0.533 nan 8.370 nan 0.000 0.583 568 L N 2.307 123.234 121.223 -0.494 0.000 2.611 568 L HA 0.242 4.578 4.340 -0.006 0.000 0.229 568 L C 0.387 177.018 176.870 -0.398 0.000 1.137 568 L CA -0.139 54.311 54.840 -0.650 0.000 0.901 568 L CB -0.487 40.839 42.059 -1.222 0.000 1.098 568 L HN 0.104 nan 8.230 nan 0.000 0.456 569 N N 0.817 119.413 118.700 -0.174 0.000 2.513 569 N HA 0.007 4.743 4.740 -0.006 0.000 0.268 569 N C 0.073 175.577 175.510 -0.011 0.000 1.180 569 N CA -0.146 52.945 53.050 0.069 0.000 0.948 569 N CB 0.318 38.857 38.487 0.087 0.000 1.083 569 N HN 0.051 nan 8.380 nan 0.000 0.455 570 D N 1.076 121.492 120.400 0.027 0.000 2.792 570 D HA -0.235 4.401 4.640 -0.006 0.000 0.231 570 D C 1.161 177.235 176.300 -0.377 0.000 1.160 570 D CA 0.647 54.482 54.000 -0.276 0.000 0.697 570 D CB -0.696 39.944 40.800 -0.267 0.000 1.070 570 D HN 0.705 nan 8.370 nan 0.000 0.426 571 M N -1.739 117.776 119.600 -0.143 0.000 2.374 571 M HA -0.192 4.285 4.480 -0.006 0.000 0.264 571 M C 2.139 178.369 176.300 -0.118 0.000 1.067 571 M CA 1.156 56.379 55.300 -0.128 0.000 1.103 571 M CB -0.716 31.828 32.600 -0.092 0.000 1.402 571 M HN 0.164 nan 8.290 nan 0.000 0.444 572 Y N 0.516 120.789 120.300 -0.044 0.000 2.483 572 Y HA 0.109 4.655 4.550 -0.006 0.000 0.291 572 Y C 1.639 177.527 175.900 -0.021 0.000 1.143 572 Y CA 0.765 58.839 58.100 -0.043 0.000 1.289 572 Y CB -1.068 37.360 38.460 -0.054 0.000 0.983 572 Y HN 0.234 nan 8.280 nan 0.000 0.556 573 K N 0.654 120.740 120.400 -0.523 0.000 2.228 573 K HA 0.064 4.380 4.320 -0.006 0.000 0.202 573 K C 1.689 178.208 176.600 -0.135 0.000 1.051 573 K CA 0.758 56.859 56.287 -0.310 0.000 0.960 573 K CB -0.028 32.242 32.500 -0.384 0.000 0.743 573 K HN 0.389 nan 8.250 nan 0.000 0.458 574 R N 1.200 121.629 120.500 -0.119 0.000 2.310 574 R HA 0.050 4.387 4.340 -0.006 0.000 0.202 574 R C 0.625 176.917 176.300 -0.013 0.000 0.933 574 R CA 0.038 56.102 56.100 -0.061 0.000 1.054 574 R CB 0.109 30.369 30.300 -0.068 0.000 0.985 574 R HN 0.080 nan 8.270 nan 0.000 0.489 575 S N 0.594 116.306 115.700 0.020 0.000 2.559 575 S HA 0.092 4.558 4.470 -0.006 0.000 0.282 575 S C 0.191 174.860 174.600 0.115 0.000 1.336 575 S CA -0.428 57.828 58.200 0.094 0.000 1.037 575 S CB 1.450 64.734 63.200 0.140 0.000 0.853 575 S HN 0.108 nan 8.310 nan 0.000 0.523 576 S N 2.027 117.819 115.700 0.152 0.000 2.533 576 S HA 0.673 5.140 4.470 -0.006 0.000 0.271 576 S C -3.105 171.528 174.600 0.055 0.000 1.143 576 S CA -1.293 56.970 58.200 0.104 0.000 0.891 576 S CB 1.834 65.039 63.200 0.007 0.000 1.105 576 S HN 0.725 nan 8.310 nan 0.000 0.468 577 P HA 0.487 nan 4.420 nan 0.000 0.280 577 P C -0.845 176.221 177.300 -0.390 0.000 1.272 577 P CA -0.761 61.964 63.100 -0.625 0.000 0.819 577 P CB 0.866 32.075 31.700 -0.818 0.000 1.122 578 I N -0.635 119.665 120.570 -0.450 0.000 2.493 578 I HA 0.400 4.566 4.170 -0.006 0.000 0.298 578 I C 0.118 176.038 176.117 -0.329 0.000 0.998 578 I CA -0.877 60.228 61.300 -0.324 0.000 1.137 578 I CB 1.354 39.158 38.000 -0.325 0.000 1.310 578 I HN 0.075 nan 8.210 nan 0.000 0.445 579 N N 5.976 124.548 118.700 -0.213 0.000 2.670 579 N HA 0.146 4.883 4.740 -0.006 0.000 0.296 579 N C -1.302 174.132 175.510 -0.127 0.000 1.216 579 N CA 0.249 53.226 53.050 -0.122 0.000 1.123 579 N CB -0.204 38.280 38.487 -0.006 0.000 1.459 579 N HN 0.463 nan 8.380 nan 0.000 0.509 580 V N 1.685 121.487 119.914 -0.186 0.000 2.709 580 V HA 0.150 4.267 4.120 -0.006 0.000 0.308 580 V C -0.326 175.759 176.094 -0.015 0.000 1.062 580 V CA -1.101 61.119 62.300 -0.134 0.000 0.901 580 V CB 2.279 33.914 31.823 -0.313 0.000 1.003 580 V HN 0.293 nan 8.190 nan 0.000 0.425 581 D N 5.203 125.639 120.400 0.060 0.000 2.472 581 D HA 0.178 4.815 4.640 -0.006 0.000 0.237 581 D C -2.332 174.052 176.300 0.140 0.000 1.141 581 D CA -0.509 53.543 54.000 0.087 0.000 0.875 581 D CB 0.859 41.717 40.800 0.097 0.000 1.192 581 D HN 0.290 nan 8.370 nan 0.000 0.450 582 P HA 0.297 nan 4.420 nan 0.000 0.269 582 P C 0.037 177.301 177.300 -0.059 0.000 1.209 582 P CA -0.117 63.005 63.100 0.037 0.000 0.776 582 P CB 1.023 32.748 31.700 0.041 0.000 0.876 583 G N 0.513 109.106 108.800 -0.345 0.000 2.694 583 G HA2 0.375 4.331 3.960 -0.006 0.000 0.246 583 G HA3 0.375 4.331 3.960 -0.006 0.000 0.246 583 G C -1.672 172.925 174.900 -0.505 0.000 1.205 583 G CA -0.203 44.615 45.100 -0.470 0.000 0.891 583 G HN 0.413 nan 8.290 nan 0.000 0.515 584 D N 0.040 120.160 120.400 -0.467 0.000 2.404 584 D HA 0.443 5.079 4.640 -0.006 0.000 0.267 584 D C -1.286 175.006 176.300 -0.014 0.000 1.194 584 D CA -0.400 53.545 54.000 -0.091 0.000 0.910 584 D CB 0.070 40.927 40.800 0.094 0.000 1.090 584 D HN 0.291 nan 8.370 nan 0.000 0.511 585 Y N 1.709 122.141 120.300 0.221 0.000 2.334 585 Y HA 0.414 4.960 4.550 -0.006 0.000 0.328 585 Y C 1.639 177.725 175.900 0.311 0.000 1.130 585 Y CA -1.034 57.190 58.100 0.208 0.000 1.163 585 Y CB 1.503 40.010 38.460 0.079 0.000 1.207 585 Y HN 0.060 nan 8.280 nan 0.000 0.471 586 R N 2.086 122.895 120.500 0.515 0.000 2.476 586 R HA 0.306 4.642 4.340 -0.006 0.000 0.276 586 R C -0.643 175.814 176.300 0.261 0.000 0.941 586 R CA 0.061 56.410 56.100 0.416 0.000 1.088 586 R CB 0.840 31.331 30.300 0.320 0.000 1.216 586 R HN 0.841 nan 8.270 nan 0.000 0.533 587 M N 0.164 119.895 119.600 0.219 0.000 2.569 587 M HA 0.389 4.865 4.480 -0.006 0.000 0.287 587 M C -2.099 174.228 176.300 0.044 0.000 1.130 587 M CA -0.590 54.768 55.300 0.096 0.000 0.885 587 M CB 2.363 35.002 32.600 0.065 0.000 1.759 587 M HN 0.015 nan 8.290 nan 0.000 0.515 588 I N 4.760 125.316 120.570 -0.023 0.000 2.533 588 I HA 0.591 4.757 4.170 -0.006 0.000 0.290 588 I C -1.900 174.167 176.117 -0.083 0.000 1.056 588 I CA -0.745 60.505 61.300 -0.082 0.000 1.057 588 I CB 1.683 39.605 38.000 -0.129 0.000 1.240 588 I HN 0.772 nan 8.210 nan 0.000 0.423 589 I N 9.601 130.111 120.570 -0.099 0.000 2.466 589 I HA 0.372 4.539 4.170 -0.006 0.000 0.279 589 I C -2.393 173.618 176.117 -0.176 0.000 1.033 589 I CA -1.800 59.442 61.300 -0.098 0.000 1.123 589 I CB 1.916 39.898 38.000 -0.029 0.000 1.237 589 I HN 0.348 nan 8.210 nan 0.000 0.460 590 P HA 0.299 nan 4.420 nan 0.000 0.282 590 P C -0.848 176.346 177.300 -0.177 0.000 1.262 590 P CA 0.011 62.854 63.100 -0.429 0.000 0.773 590 P CB 1.391 32.548 31.700 -0.907 0.000 0.879 591 L N 1.813 122.969 121.223 -0.111 0.000 2.267 591 L HA 0.364 4.700 4.340 -0.006 0.000 0.264 591 L C 2.245 179.108 176.870 -0.011 0.000 1.021 591 L CA -0.828 53.991 54.840 -0.036 0.000 0.861 591 L CB 0.766 42.815 42.059 -0.016 0.000 1.443 591 L HN 0.305 nan 8.230 nan 0.000 0.475 592 E N 0.486 120.692 120.200 0.009 0.000 2.013 592 E HA -0.245 4.101 4.350 -0.006 0.000 0.202 592 E C 1.197 177.810 176.600 0.020 0.000 1.018 592 E CA 2.309 58.721 56.400 0.021 0.000 0.834 592 E CB 0.065 29.778 29.700 0.020 0.000 0.770 592 E HN 0.624 nan 8.360 nan 0.000 0.459 593 S N -0.879 114.827 115.700 0.010 0.000 2.663 593 S HA 0.241 4.708 4.470 -0.006 0.000 0.243 593 S C -0.105 174.489 174.600 -0.011 0.000 1.009 593 S CA -0.082 58.119 58.200 0.003 0.000 0.988 593 S CB 0.613 63.809 63.200 -0.006 0.000 0.896 593 S HN 0.294 nan 8.310 nan 0.000 0.502 594 S N 0.507 116.206 115.700 -0.002 0.000 2.656 594 S HA 0.794 5.261 4.470 -0.006 0.000 0.273 594 S C -1.377 173.234 174.600 0.018 0.000 1.168 594 S CA -1.009 57.193 58.200 0.002 0.000 0.817 594 S CB 0.853 64.043 63.200 -0.017 0.000 1.146 594 S HN 0.300 nan 8.310 nan 0.000 0.475 595 I N 1.402 122.009 120.570 0.062 0.000 2.534 595 I HA 0.361 4.528 4.170 -0.006 0.000 0.288 595 I C -1.092 175.027 176.117 0.003 0.000 1.077 595 I CA -0.841 60.455 61.300 -0.006 0.000 1.051 595 I CB 1.832 39.820 38.000 -0.019 0.000 1.234 595 I HN 0.469 nan 8.210 nan 0.000 0.425 596 L N 6.611 127.815 121.223 -0.030 0.000 2.334 596 L HA 0.600 4.937 4.340 -0.006 0.000 0.277 596 L C -0.237 176.612 176.870 -0.035 0.000 1.075 596 L CA -0.356 54.483 54.840 -0.002 0.000 0.804 596 L CB 1.494 43.572 42.059 0.032 0.000 1.174 596 L HN 0.502 nan 8.230 nan 0.000 0.438 597 I N 2.623 123.171 120.570 -0.036 0.000 2.619 597 I HA 0.259 4.426 4.170 -0.006 0.000 0.292 597 I C -1.230 174.914 176.117 0.045 0.000 1.100 597 I CA -0.788 60.464 61.300 -0.081 0.000 1.043 597 I CB 2.587 40.384 38.000 -0.338 0.000 1.239 597 I HN 0.383 nan 8.210 nan 0.000 0.420 598 Y N 4.696 125.013 120.300 0.028 0.000 2.328 598 Y HA 0.532 5.079 4.550 -0.005 0.000 0.337 598 Y C 0.039 176.077 175.900 0.230 0.000 1.008 598 Y CA 0.059 58.230 58.100 0.118 0.000 1.129 598 Y CB 1.488 40.023 38.460 0.127 0.000 1.185 598 Y HN 0.560 nan 8.280 nan 0.000 0.476 599 S N 4.978 120.690 115.700 0.020 0.000 2.521 599 S HA 0.733 5.199 4.470 -0.006 0.000 0.295 599 S C -1.868 172.771 174.600 0.064 0.000 1.098 599 S CA -0.618 57.720 58.200 0.230 0.000 0.999 599 S CB 1.133 64.497 63.200 0.273 0.000 1.034 599 S HN 0.468 nan 8.310 nan 0.000 0.483 600 V N 6.245 126.265 119.914 0.176 0.000 2.326 600 V HA 0.432 4.548 4.120 -0.006 0.000 0.281 600 V C -2.314 173.879 176.094 0.166 0.000 1.015 600 V CA -1.803 60.605 62.300 0.180 0.000 0.823 600 V CB 1.120 33.113 31.823 0.284 0.000 1.009 600 V HN 0.762 nan 8.190 nan 0.000 0.436 601 P HA 0.085 nan 4.420 nan 0.000 0.267 601 P C -0.165 177.245 177.300 0.183 0.000 1.200 601 P CA -0.037 63.139 63.100 0.126 0.000 0.772 601 P CB 0.489 32.247 31.700 0.097 0.000 0.855 602 V N 4.782 124.753 119.914 0.095 0.000 2.599 602 V HA 0.103 4.220 4.120 -0.006 0.000 0.300 602 V C 0.716 176.852 176.094 0.070 0.000 1.034 602 V CA 0.713 63.026 62.300 0.023 0.000 1.115 602 V CB -0.756 31.064 31.823 -0.005 0.000 0.934 602 V HN 0.747 nan 8.190 nan 0.000 0.485 603 H N 2.339 121.437 119.070 0.047 0.000 3.008 603 H HA 0.602 5.154 4.556 -0.007 0.000 0.354 603 H C -0.023 175.339 175.328 0.057 0.000 1.252 603 H CA -0.547 55.531 56.048 0.050 0.000 1.117 603 H CB 1.760 31.557 29.762 0.059 0.000 1.857 603 H HN 0.679 nan 8.280 nan 0.000 0.547 604 G N -0.122 108.783 108.800 0.174 0.000 2.634 604 G HA2 0.146 4.103 3.960 -0.006 0.000 0.255 604 G HA3 0.146 4.103 3.960 -0.006 0.000 0.255 604 G C 0.313 175.370 174.900 0.262 0.000 1.205 604 G CA -0.346 44.840 45.100 0.144 0.000 0.884 604 G HN 0.685 nan 8.290 nan 0.000 0.549 605 E N 0.139 120.463 120.200 0.207 0.000 2.498 605 E HA 0.053 4.399 4.350 -0.006 0.000 0.203 605 E C 1.555 178.303 176.600 0.246 0.000 1.013 605 E CA -0.378 56.155 56.400 0.222 0.000 0.927 605 E CB 0.233 30.010 29.700 0.129 0.000 1.012 605 E HN 0.494 nan 8.360 nan 0.000 0.482 606 F N 2.354 122.387 119.950 0.140 0.000 2.095 606 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 606 F C 2.219 178.172 175.800 0.256 0.000 1.104 606 F CA 1.832 59.961 58.000 0.216 0.000 1.232 606 F CB -0.100 38.998 39.000 0.164 0.000 0.987 606 F HN 0.031 nan 8.300 nan 0.000 0.475 607 A N 0.042 123.134 122.820 0.453 0.000 1.902 607 A HA -0.062 4.255 4.320 -0.006 0.000 0.217 607 A C 2.340 180.025 177.584 0.168 0.000 1.181 607 A CA 1.741 53.962 52.037 0.306 0.000 0.623 607 A CB -1.516 17.613 19.000 0.215 0.000 0.818 607 A HN 0.475 nan 8.150 nan 0.000 0.443 608 A N -2.260 120.650 122.820 0.149 0.000 2.014 608 A HA -0.023 4.293 4.320 -0.006 0.000 0.218 608 A C 2.075 179.673 177.584 0.024 0.000 1.163 608 A CA 1.447 53.536 52.037 0.087 0.000 0.652 608 A CB -0.598 18.472 19.000 0.117 0.000 0.808 608 A HN 0.656 nan 8.150 nan 0.000 0.449 609 Y N -1.841 118.350 120.300 -0.182 0.000 2.365 609 Y HA -0.039 4.507 4.550 -0.005 0.000 0.293 609 Y C 1.381 176.912 175.900 -0.615 0.000 1.119 609 Y CA 1.580 59.413 58.100 -0.446 0.000 1.203 609 Y CB 0.167 38.226 38.460 -0.669 0.000 1.026 609 Y HN 0.393 nan 8.280 nan 0.000 0.549 610 Y N -1.623 118.620 120.300 -0.096 0.000 2.500 610 Y HA 0.213 4.759 4.550 -0.006 0.000 0.246 610 Y C 0.909 176.758 175.900 -0.085 0.000 1.146 610 Y CA -0.113 57.889 58.100 -0.163 0.000 1.230 610 Y CB 0.632 38.888 38.460 -0.340 0.000 1.214 610 Y HN 0.017 nan 8.280 nan 0.000 0.526 611 Q N -0.677 119.173 119.800 0.083 0.000 2.093 611 Q HA 0.270 4.607 4.340 -0.006 0.000 0.217 611 Q C 1.261 177.282 176.000 0.035 0.000 0.785 611 Q CA 0.309 56.155 55.803 0.072 0.000 1.038 611 Q CB 1.638 30.444 28.738 0.113 0.000 1.190 611 Q HN 0.404 nan 8.270 nan 0.000 0.468 612 G N 1.609 110.411 108.800 0.003 0.000 2.187 612 G HA2 -0.368 3.589 3.960 -0.006 0.000 0.261 612 G HA3 -0.368 3.589 3.960 -0.006 0.000 0.261 612 G C 0.409 175.320 174.900 0.018 0.000 1.000 612 G CA 0.252 45.349 45.100 -0.004 0.000 0.718 612 G HN 0.583 nan 8.290 nan 0.000 0.519 613 A N 1.136 123.978 122.820 0.037 0.000 2.548 613 A HA 0.529 4.845 4.320 -0.006 0.000 0.247 613 A C -0.434 177.163 177.584 0.023 0.000 1.067 613 A CA 0.049 52.108 52.037 0.036 0.000 0.757 613 A CB 0.241 19.274 19.000 0.056 0.000 0.996 613 A HN 0.430 nan 8.150 nan 0.000 0.504 614 P HA 0.129 nan 4.420 nan 0.000 0.274 614 P C -0.417 176.872 177.300 -0.019 0.000 1.237 614 P CA -0.332 62.779 63.100 0.018 0.000 0.793 614 P CB 0.708 32.427 31.700 0.032 0.000 0.977 615 E N 1.424 121.619 120.200 -0.008 0.000 2.223 615 E HA 0.091 4.438 4.350 -0.006 0.000 0.282 615 E C -0.274 176.319 176.600 -0.012 0.000 1.046 615 E CA -0.384 55.970 56.400 -0.077 0.000 0.857 615 E CB 0.399 30.123 29.700 0.040 0.000 1.055 615 E HN 0.230 nan 8.360 nan 0.000 0.409 616 K N 2.539 122.888 120.400 -0.085 0.000 2.258 616 K HA 0.335 4.651 4.320 -0.006 0.000 0.284 616 K C 0.064 176.681 176.600 0.029 0.000 1.051 616 K CA -0.413 55.869 56.287 -0.007 0.000 0.923 616 K CB 1.606 34.085 32.500 -0.034 0.000 1.046 616 K HN 0.507 nan 8.250 nan 0.000 0.474 617 G N 0.849 109.673 108.800 0.041 0.000 2.932 617 G HA2 0.645 4.601 3.960 -0.006 0.000 0.283 617 G HA3 0.645 4.601 3.960 -0.006 0.000 0.283 617 G C -1.442 173.291 174.900 -0.278 0.000 1.336 617 G CA -0.541 44.471 45.100 -0.147 0.000 1.056 617 G HN 0.409 nan 8.290 nan 0.000 0.522 618 V N -0.496 119.141 119.914 -0.462 0.000 3.012 618 V HA 0.672 4.789 4.120 -0.006 0.000 0.307 618 V C -1.645 174.235 176.094 -0.357 0.000 1.166 618 V CA -0.905 61.223 62.300 -0.287 0.000 0.974 618 V CB 1.997 33.740 31.823 -0.133 0.000 1.040 618 V HN 0.836 nan 8.190 nan 0.000 0.428 619 L N 6.754 127.873 121.223 -0.174 0.000 2.264 619 L HA 0.654 4.991 4.340 -0.006 0.000 0.289 619 L C -0.877 175.980 176.870 -0.022 0.000 1.044 619 L CA 0.267 55.076 54.840 -0.053 0.000 0.807 619 L CB 0.808 42.923 42.059 0.093 0.000 1.192 619 L HN 0.676 nan 8.230 nan 0.000 0.425 620 L N 4.697 125.913 121.223 -0.011 0.000 2.334 620 L HA 0.600 4.936 4.340 -0.006 0.000 0.272 620 L C -0.310 176.569 176.870 0.015 0.000 1.020 620 L CA -0.837 54.002 54.840 -0.002 0.000 0.812 620 L CB 1.710 43.763 42.059 -0.010 0.000 1.264 620 L HN 0.594 nan 8.230 nan 0.000 0.439 621 K N 1.560 121.973 120.400 0.023 0.000 2.376 621 K HA 0.327 4.644 4.320 -0.006 0.000 0.257 621 K C -1.832 174.801 176.600 0.056 0.000 0.939 621 K CA -0.570 55.737 56.287 0.033 0.000 0.809 621 K CB 1.625 34.134 32.500 0.016 0.000 1.121 621 K HN 0.496 nan 8.250 nan 0.000 0.425 622 Y N 3.139 123.401 120.300 -0.063 0.000 2.356 622 Y HA 0.243 4.790 4.550 -0.006 0.000 0.334 622 Y C -0.947 174.924 175.900 -0.049 0.000 0.958 622 Y CA -0.710 57.352 58.100 -0.064 0.000 1.196 622 Y CB 1.197 39.601 38.460 -0.093 0.000 1.137 622 Y HN 0.728 nan 8.280 nan 0.000 0.485 623 D N 5.028 125.104 120.400 -0.540 0.000 2.339 623 D HA 0.102 4.739 4.640 -0.006 0.000 0.256 623 D C 1.181 177.092 176.300 -0.648 0.000 1.214 623 D CA 0.003 53.751 54.000 -0.419 0.000 0.877 623 D CB 1.262 41.897 40.800 -0.275 0.000 1.111 623 D HN 0.540 nan 8.370 nan 0.000 0.478 624 V N 2.621 122.343 119.914 -0.320 0.000 2.490 624 V HA -0.127 3.989 4.120 -0.006 0.000 0.250 624 V C 2.054 178.071 176.094 -0.127 0.000 1.061 624 V CA 1.005 63.215 62.300 -0.150 0.000 1.064 624 V CB -0.459 31.392 31.823 0.046 0.000 0.670 624 V HN 0.406 nan 8.190 nan 0.000 0.461 625 K N 1.348 121.673 120.400 -0.125 0.000 2.031 625 K HA -0.054 4.263 4.320 -0.006 0.000 0.205 625 K C 2.374 178.915 176.600 -0.099 0.000 1.049 625 K CA 2.157 58.395 56.287 -0.082 0.000 0.939 625 K CB -0.648 31.816 32.500 -0.061 0.000 0.717 625 K HN 0.773 nan 8.250 nan 0.000 0.438 626 T N -2.321 112.146 114.554 -0.145 0.000 3.065 626 T HA 0.135 4.482 4.350 -0.006 0.000 0.252 626 T C 0.607 175.213 174.700 -0.156 0.000 1.099 626 T CA -0.119 61.907 62.100 -0.124 0.000 1.063 626 T CB 0.098 68.901 68.868 -0.110 0.000 0.948 626 T HN 0.252 nan 8.240 nan 0.000 0.506 627 R N 0.307 120.630 120.500 -0.295 0.000 3.875 627 R HA -0.126 4.211 4.340 -0.006 0.000 0.321 627 R C -0.096 176.062 176.300 -0.237 0.000 1.196 627 R CA 0.858 56.751 56.100 -0.344 0.000 0.868 627 R CB -1.688 28.592 30.300 -0.032 0.000 1.333 627 R HN 0.555 nan 8.270 nan 0.000 0.522 628 K N 1.288 121.535 120.400 -0.255 0.000 2.156 628 K HA 0.419 4.735 4.320 -0.006 0.000 0.271 628 K C -0.247 176.285 176.600 -0.114 0.000 0.995 628 K CA -0.432 55.782 56.287 -0.123 0.000 0.890 628 K CB 1.423 33.869 32.500 -0.090 0.000 1.073 628 K HN -0.088 nan 8.250 nan 0.000 0.454 629 V N 2.984 122.893 119.914 -0.009 0.000 2.547 629 V HA 0.439 4.556 4.120 -0.006 0.000 0.299 629 V C -0.205 175.895 176.094 0.011 0.000 1.040 629 V CA -0.474 61.846 62.300 0.034 0.000 0.913 629 V CB 1.691 33.571 31.823 0.095 0.000 0.992 629 V HN 1.072 nan 8.190 nan 0.000 0.449 630 T N 0.297 114.855 114.554 0.006 0.000 2.868 630 T HA 0.499 4.846 4.350 -0.006 0.000 0.306 630 T C -0.867 173.831 174.700 -0.003 0.000 1.224 630 T CA -0.779 61.319 62.100 -0.003 0.000 1.012 630 T CB 1.915 70.773 68.868 -0.016 0.000 1.221 630 T HN 0.640 nan 8.240 nan 0.000 0.499 631 E N 0.828 121.021 120.200 -0.012 0.000 2.223 631 E HA 0.402 4.749 4.350 -0.006 0.000 0.282 631 E C 0.131 176.710 176.600 -0.035 0.000 1.046 631 E CA -0.523 55.863 56.400 -0.023 0.000 0.857 631 E CB 1.013 30.695 29.700 -0.030 0.000 1.055 631 E HN 0.507 nan 8.360 nan 0.000 0.409 632 V N 4.096 123.990 119.914 -0.033 0.000 3.125 632 V HA 0.109 4.226 4.120 -0.006 0.000 0.249 632 V C 0.197 176.224 176.094 -0.111 0.000 1.113 632 V CA 0.614 62.888 62.300 -0.045 0.000 1.106 632 V CB 0.155 31.987 31.823 0.016 0.000 0.768 632 V HN 0.554 nan 8.190 nan 0.000 0.468 633 K N 1.105 121.446 120.400 -0.099 0.000 2.579 633 K HA 0.338 4.655 4.320 -0.006 0.000 0.257 633 K C -1.105 175.431 176.600 -0.107 0.000 0.950 633 K CA -0.312 55.886 56.287 -0.148 0.000 0.862 633 K CB 1.239 33.625 32.500 -0.190 0.000 1.317 633 K HN 0.289 nan 8.250 nan 0.000 0.436 634 N N 1.383 120.015 118.700 -0.114 0.000 2.813 634 N HA 0.463 5.200 4.740 -0.006 0.000 0.320 634 N C -0.803 174.656 175.510 -0.084 0.000 1.315 634 N CA -0.500 52.495 53.050 -0.092 0.000 0.871 634 N CB 0.174 38.616 38.487 -0.075 0.000 1.241 634 N HN 0.614 nan 8.380 nan 0.000 0.602 635 N N -2.226 116.438 118.700 -0.060 0.000 2.725 635 N HA -0.164 4.572 4.740 -0.006 0.000 0.249 635 N C -1.251 174.252 175.510 -0.011 0.000 1.103 635 N CA 0.472 53.499 53.050 -0.039 0.000 0.707 635 N CB -1.402 37.051 38.487 -0.057 0.000 1.043 635 N HN 0.416 nan 8.380 nan 0.000 0.553 636 L N -0.398 120.835 121.223 0.017 0.000 2.399 636 L HA 0.418 4.754 4.340 -0.006 0.000 0.266 636 L C 1.730 178.713 176.870 0.189 0.000 1.114 636 L CA 0.143 55.052 54.840 0.116 0.000 0.804 636 L CB 1.202 43.371 42.059 0.184 0.000 1.146 636 L HN 0.332 nan 8.230 nan 0.000 0.451 637 T N -4.118 110.567 114.554 0.219 0.000 2.986 637 T HA 0.234 4.581 4.350 -0.006 0.000 0.264 637 T C -0.100 174.742 174.700 0.237 0.000 0.964 637 T CA -0.200 62.027 62.100 0.211 0.000 0.895 637 T CB 0.442 69.383 68.868 0.123 0.000 1.163 637 T HN 0.522 nan 8.240 nan 0.000 0.517 638 D N -0.316 120.246 120.400 0.271 0.000 2.706 638 D HA 0.530 5.166 4.640 -0.006 0.000 0.227 638 D C -2.090 174.396 176.300 0.310 0.000 1.233 638 D CA -0.510 53.636 54.000 0.244 0.000 0.768 638 D CB 2.069 43.094 40.800 0.375 0.000 1.490 638 D HN 0.302 nan 8.370 nan 0.000 0.458 639 L N 1.886 123.222 121.223 0.188 0.000 2.455 639 L HA 0.725 5.061 4.340 -0.006 0.000 0.264 639 L C -1.437 175.497 176.870 0.107 0.000 0.968 639 L CA -0.561 54.408 54.840 0.216 0.000 0.827 639 L CB 1.530 43.722 42.059 0.222 0.000 1.317 639 L HN 0.300 nan 8.230 nan 0.000 0.407 640 R N 4.385 124.959 120.500 0.123 0.000 2.795 640 R HA 0.662 4.998 4.340 -0.006 0.000 0.275 640 R C -1.649 174.660 176.300 0.015 0.000 0.981 640 R CA -0.722 55.382 56.100 0.007 0.000 0.917 640 R CB 2.413 32.669 30.300 -0.074 0.000 1.202 640 R HN 0.641 nan 8.270 nan 0.000 0.469 641 L N 0.468 121.687 121.223 -0.005 0.000 2.381 641 L HA 0.371 4.707 4.340 -0.006 0.000 0.268 641 L C 0.399 177.270 176.870 0.002 0.000 0.997 641 L CA -0.553 54.282 54.840 -0.008 0.000 0.818 641 L CB 2.355 44.414 42.059 -0.001 0.000 1.310 641 L HN 0.686 nan 8.230 nan 0.000 0.416 642 S N 1.833 117.533 115.700 -0.000 0.000 2.572 642 S HA 0.127 4.594 4.470 -0.006 0.000 0.267 642 S C 1.213 175.828 174.600 0.025 0.000 1.361 642 S CA 0.562 58.772 58.200 0.016 0.000 1.009 642 S CB 1.408 64.613 63.200 0.009 0.000 0.888 642 S HN 0.756 nan 8.310 nan 0.000 0.553 643 A N 1.967 124.807 122.820 0.034 0.000 1.898 643 A HA -0.046 4.270 4.320 -0.006 0.000 0.216 643 A C 1.488 179.094 177.584 0.036 0.000 1.181 643 A CA 1.634 53.693 52.037 0.037 0.000 0.620 643 A CB -0.734 18.289 19.000 0.038 0.000 0.819 643 A HN 0.943 nan 8.150 nan 0.000 0.442 644 D N -1.580 118.839 120.400 0.032 0.000 2.319 644 D HA 0.014 4.651 4.640 -0.006 0.000 0.230 644 D C 0.622 176.938 176.300 0.028 0.000 1.094 644 D CA -0.069 53.949 54.000 0.031 0.000 0.856 644 D CB -0.598 40.219 40.800 0.028 0.000 0.915 644 D HN 0.441 nan 8.370 nan 0.000 0.517 645 R N -0.565 119.949 120.500 0.024 0.000 3.847 645 R HA -0.234 4.102 4.340 -0.006 0.000 0.304 645 R C 0.685 176.991 176.300 0.010 0.000 1.203 645 R CA 1.279 57.389 56.100 0.017 0.000 0.835 645 R CB -1.723 28.591 30.300 0.024 0.000 1.253 645 R HN 0.356 nan 8.270 nan 0.000 0.516 646 K N -0.478 119.928 120.400 0.009 0.000 2.308 646 K HA 0.085 4.402 4.320 -0.006 0.000 0.197 646 K C 0.521 177.113 176.600 -0.013 0.000 1.049 646 K CA 0.779 57.071 56.287 0.008 0.000 0.991 646 K CB 0.611 33.122 32.500 0.019 0.000 0.836 646 K HN 0.011 nan 8.250 nan 0.000 0.500 647 T N 1.547 116.083 114.554 -0.030 0.000 2.824 647 T HA 0.391 4.737 4.350 -0.006 0.000 0.280 647 T C -0.656 173.955 174.700 -0.149 0.000 0.995 647 T CA -0.596 61.460 62.100 -0.073 0.000 1.009 647 T CB 2.225 71.076 68.868 -0.028 0.000 0.955 647 T HN -0.258 nan 8.240 nan 0.000 0.452 648 V N 4.050 123.759 119.914 -0.341 0.000 2.495 648 V HA 0.587 4.704 4.120 -0.006 0.000 0.298 648 V C -0.248 175.605 176.094 -0.402 0.000 1.031 648 V CA -0.898 61.113 62.300 -0.482 0.000 0.871 648 V CB 1.716 32.935 31.823 -1.006 0.000 0.988 648 V HN 0.888 nan 8.190 nan 0.000 0.432 649 M N 6.338 125.878 119.600 -0.101 0.000 2.321 649 M HA 0.824 5.301 4.480 -0.006 0.000 0.315 649 M C -1.152 175.301 176.300 0.255 0.000 1.052 649 M CA -0.472 54.895 55.300 0.111 0.000 0.936 649 M CB 1.766 34.507 32.600 0.236 0.000 1.639 649 M HN 0.686 nan 8.290 nan 0.000 0.433 650 V N 1.758 121.843 119.914 0.284 0.000 3.182 650 V HA 0.822 4.938 4.120 -0.006 0.000 0.308 650 V C -1.600 174.565 176.094 0.119 0.000 1.240 650 V CA -1.002 61.479 62.300 0.301 0.000 1.063 650 V CB 2.157 34.194 31.823 0.358 0.000 1.076 650 V HN 1.045 nan 8.190 nan 0.000 0.446 651 R N 1.022 121.571 120.500 0.081 0.000 2.686 651 R HA 0.715 5.051 4.340 -0.006 0.000 0.286 651 R C -0.678 175.681 176.300 0.098 0.000 0.969 651 R CA -0.513 55.572 56.100 -0.025 0.000 0.898 651 R CB 2.148 32.336 30.300 -0.187 0.000 1.183 651 R HN 0.931 nan 8.270 nan 0.000 0.456 652 K N 1.250 121.720 120.400 0.117 0.000 2.303 652 K HA 0.177 4.493 4.320 -0.006 0.000 0.233 652 K C 0.019 176.654 176.600 0.058 0.000 1.046 652 K CA -0.655 55.670 56.287 0.065 0.000 0.895 652 K CB 0.933 33.424 32.500 -0.015 0.000 1.220 652 K HN 0.794 nan 8.250 nan 0.000 0.470 653 D N 0.394 120.814 120.400 0.033 0.000 2.351 653 D HA -0.167 4.469 4.640 -0.006 0.000 0.216 653 D C 0.621 176.936 176.300 0.026 0.000 0.968 653 D CA 0.995 55.011 54.000 0.026 0.000 0.899 653 D CB -0.240 40.566 40.800 0.011 0.000 0.907 653 D HN 0.557 nan 8.370 nan 0.000 0.514 654 D N -1.032 119.393 120.400 0.041 0.000 2.328 654 D HA 0.157 4.794 4.640 -0.006 0.000 0.226 654 D C 1.746 178.060 176.300 0.024 0.000 1.066 654 D CA 0.540 54.563 54.000 0.038 0.000 0.861 654 D CB -0.186 40.653 40.800 0.064 0.000 0.912 654 D HN 0.295 nan 8.370 nan 0.000 0.521 655 G N -0.073 108.739 108.800 0.020 0.000 2.234 655 G HA2 -0.332 3.624 3.960 -0.006 0.000 0.260 655 G HA3 -0.332 3.624 3.960 -0.006 0.000 0.260 655 G C 0.317 175.186 174.900 -0.053 0.000 0.987 655 G CA 0.350 45.439 45.100 -0.018 0.000 0.625 655 G HN 0.479 nan 8.290 nan 0.000 0.532 656 K N 0.053 120.447 120.400 -0.011 0.000 2.126 656 K HA 0.646 4.963 4.320 -0.006 0.000 0.257 656 K C 0.262 176.789 176.600 -0.122 0.000 1.007 656 K CA -0.468 55.749 56.287 -0.117 0.000 0.928 656 K CB 1.239 33.633 32.500 -0.175 0.000 1.013 656 K HN 0.238 nan 8.250 nan 0.000 0.473 657 I N 2.446 122.821 120.570 -0.324 0.000 2.392 657 I HA 0.264 4.430 4.170 -0.006 0.000 0.295 657 I C -0.848 175.088 176.117 -0.302 0.000 0.985 657 I CA -0.705 60.432 61.300 -0.271 0.000 1.221 657 I CB 0.647 38.426 38.000 -0.370 0.000 1.366 657 I HN 0.429 nan 8.210 nan 0.000 0.467 658 Y N 2.744 123.024 120.300 -0.032 0.000 2.602 658 Y HA 0.585 5.132 4.550 -0.006 0.000 0.342 658 Y C 0.196 176.173 175.900 0.128 0.000 1.029 658 Y CA -0.953 57.188 58.100 0.067 0.000 1.080 658 Y CB 2.186 40.718 38.460 0.121 0.000 1.284 658 Y HN 0.331 nan 8.280 nan 0.000 0.485 659 T N 2.809 117.567 114.554 0.341 0.000 2.971 659 T HA 0.725 5.071 4.350 -0.006 0.000 0.304 659 T C -1.800 173.078 174.700 0.297 0.000 1.038 659 T CA -0.560 61.666 62.100 0.211 0.000 1.007 659 T CB 0.171 69.108 68.868 0.114 0.000 1.055 659 T HN 0.481 nan 8.240 nan 0.000 0.451 660 F N 2.468 122.482 119.950 0.106 0.000 2.631 660 F HA 0.847 5.371 4.527 -0.005 0.000 0.308 660 F C -3.276 172.565 175.800 0.069 0.000 1.097 660 F CA -2.939 55.109 58.000 0.080 0.000 0.952 660 F CB 0.481 39.521 39.000 0.066 0.000 1.307 660 F HN 0.246 nan 8.300 nan 0.000 0.450 661 P HA 0.190 nan 4.420 nan 0.000 0.279 661 P C 0.582 177.979 177.300 0.163 0.000 1.239 661 P CA -0.330 62.833 63.100 0.104 0.000 0.789 661 P CB 1.269 33.034 31.700 0.109 0.000 0.933 662 L N 3.813 125.078 121.223 0.070 0.000 2.265 662 L HA -0.188 4.149 4.340 -0.006 0.000 0.215 662 L C 1.894 178.837 176.870 0.122 0.000 1.117 662 L CA 1.781 56.685 54.840 0.106 0.000 0.782 662 L CB -0.878 41.207 42.059 0.043 0.000 0.914 662 L HN 0.433 nan 8.230 nan 0.000 0.441 663 E N -1.205 119.053 120.200 0.095 0.000 2.112 663 E HA -0.102 4.244 4.350 -0.006 0.000 0.190 663 E C 0.144 176.792 176.600 0.081 0.000 0.979 663 E CA 0.694 57.139 56.400 0.074 0.000 0.814 663 E CB -0.098 29.636 29.700 0.056 0.000 0.762 663 E HN 0.180 nan 8.360 nan 0.000 0.460 664 K N 1.336 121.800 120.400 0.107 0.000 2.842 664 K HA 0.202 4.518 4.320 -0.006 0.000 0.176 664 K C -2.203 174.473 176.600 0.127 0.000 1.080 664 K CA -2.020 54.321 56.287 0.090 0.000 0.954 664 K CB 1.588 34.129 32.500 0.069 0.000 1.203 664 K HN 0.038 nan 8.250 nan 0.000 0.611 665 P HA -0.175 nan 4.420 nan 0.000 0.229 665 P C 0.831 178.036 177.300 -0.157 0.000 1.150 665 P CA 0.972 64.088 63.100 0.027 0.000 0.765 665 P CB 0.485 32.129 31.700 -0.094 0.000 0.783 666 E N 0.221 120.389 120.200 -0.055 0.000 2.371 666 E HA -0.065 4.281 4.350 -0.006 0.000 0.194 666 E C 0.066 176.658 176.600 -0.014 0.000 1.012 666 E CA 0.234 56.597 56.400 -0.063 0.000 0.860 666 E CB -0.035 29.644 29.700 -0.034 0.000 0.811 666 E HN 0.124 nan 8.360 nan 0.000 0.502 667 D N 2.475 122.901 120.400 0.043 0.000 2.973 667 D HA 0.030 4.666 4.640 -0.006 0.000 0.263 667 D C -0.577 175.807 176.300 0.140 0.000 1.266 667 D CA 0.041 54.088 54.000 0.078 0.000 0.975 667 D CB 0.087 40.936 40.800 0.081 0.000 1.032 667 D HN 0.391 nan 8.370 nan 0.000 0.510 668 E N -0.118 120.162 120.200 0.133 0.000 2.283 668 E HA 0.626 4.972 4.350 -0.006 0.000 0.271 668 E C -0.247 176.478 176.600 0.209 0.000 1.031 668 E CA -0.782 55.762 56.400 0.240 0.000 0.868 668 E CB 1.667 31.500 29.700 0.222 0.000 1.094 668 E HN -0.062 nan 8.360 nan 0.000 0.401 669 R N 0.485 121.119 120.500 0.223 0.000 2.854 669 R HA 0.409 4.746 4.340 -0.006 0.000 0.271 669 R C -0.884 175.480 176.300 0.105 0.000 0.996 669 R CA -0.717 55.467 56.100 0.141 0.000 0.961 669 R CB 2.253 32.606 30.300 0.089 0.000 1.182 669 R HN 0.504 nan 8.270 nan 0.000 0.479 670 T N 1.232 115.763 114.554 -0.038 0.000 2.806 670 T HA 0.244 4.590 4.350 -0.006 0.000 0.290 670 T C -0.199 174.380 174.700 -0.202 0.000 0.966 670 T CA -0.606 61.315 62.100 -0.297 0.000 1.060 670 T CB 1.045 69.701 68.868 -0.354 0.000 0.927 670 T HN 0.139 nan 8.240 nan 0.000 0.485 671 V N 4.634 124.405 119.914 -0.237 0.000 2.427 671 V HA 0.173 4.290 4.120 -0.006 0.000 0.268 671 V C 0.472 176.443 176.094 -0.205 0.000 1.046 671 V CA -0.446 61.758 62.300 -0.160 0.000 0.970 671 V CB 0.368 32.111 31.823 -0.135 0.000 1.001 671 V HN 0.742 nan 8.190 nan 0.000 0.476 672 E N 3.442 123.551 120.200 -0.152 0.000 2.174 672 E HA 0.352 4.698 4.350 -0.006 0.000 0.282 672 E C 0.824 177.320 176.600 -0.173 0.000 0.992 672 E CA 0.002 56.307 56.400 -0.159 0.000 0.803 672 E CB 1.866 31.499 29.700 -0.112 0.000 1.090 672 E HN 0.857 nan 8.360 nan 0.000 0.396 673 T N -1.851 112.565 114.554 -0.230 0.000 2.986 673 T HA 0.086 4.432 4.350 -0.006 0.000 0.264 673 T C 0.270 174.857 174.700 -0.187 0.000 0.964 673 T CA -0.297 61.633 62.100 -0.282 0.000 0.895 673 T CB 0.177 68.679 68.868 -0.609 0.000 1.163 673 T HN 0.050 nan 8.240 nan 0.000 0.517 674 D N 1.539 121.847 120.400 -0.152 0.000 2.358 674 D HA 0.262 4.898 4.640 -0.006 0.000 0.224 674 D C 1.432 177.681 176.300 -0.084 0.000 1.123 674 D CA -0.004 53.931 54.000 -0.107 0.000 0.833 674 D CB 0.351 41.092 40.800 -0.098 0.000 0.946 674 D HN 0.432 nan 8.370 nan 0.000 0.505 675 K N 0.130 120.478 120.400 -0.086 0.000 2.155 675 K HA 0.033 4.349 4.320 -0.006 0.000 0.203 675 K C 1.043 177.604 176.600 -0.064 0.000 1.052 675 K CA 0.517 56.760 56.287 -0.073 0.000 0.948 675 K CB 0.553 33.007 32.500 -0.077 0.000 0.728 675 K HN -0.041 nan 8.250 nan 0.000 0.448 676 R N 1.319 121.777 120.500 -0.070 0.000 2.445 676 R HA 0.242 4.579 4.340 -0.006 0.000 0.308 676 R C -2.688 173.575 176.300 -0.061 0.000 0.961 676 R CA -2.159 53.904 56.100 -0.061 0.000 0.862 676 R CB 1.480 31.741 30.300 -0.065 0.000 1.144 676 R HN -0.154 nan 8.270 nan 0.000 0.447 677 P HA 0.045 nan 4.420 nan 0.000 0.272 677 P C -1.070 176.224 177.300 -0.009 0.000 1.223 677 P CA -0.533 62.559 63.100 -0.014 0.000 0.784 677 P CB 0.558 32.257 31.700 -0.002 0.000 0.923 678 L N 3.018 124.252 121.223 0.018 0.000 2.305 678 L HA 0.299 4.635 4.340 -0.006 0.000 0.281 678 L C -0.654 176.244 176.870 0.046 0.000 1.085 678 L CA -0.113 54.759 54.840 0.053 0.000 0.813 678 L CB 1.067 43.183 42.059 0.094 0.000 1.157 678 L HN 0.076 nan 8.230 nan 0.000 0.436 679 V N 4.077 124.028 119.914 0.061 0.000 2.448 679 V HA 0.816 4.932 4.120 -0.006 0.000 0.295 679 V C -0.177 175.916 176.094 -0.002 0.000 1.025 679 V CA -0.277 62.036 62.300 0.022 0.000 0.859 679 V CB 1.526 33.362 31.823 0.023 0.000 0.988 679 V HN 0.945 nan 8.190 nan 0.000 0.431 680 S N 2.549 118.228 115.700 -0.036 0.000 2.705 680 S HA 0.717 5.183 4.470 -0.006 0.000 0.280 680 S C -0.691 173.859 174.600 -0.084 0.000 1.174 680 S CA -0.649 57.511 58.200 -0.067 0.000 0.823 680 S CB 1.987 65.131 63.200 -0.093 0.000 1.162 680 S HN 0.832 nan 8.310 nan 0.000 0.487 681 S N 0.657 116.288 115.700 -0.114 0.000 2.474 681 S HA 0.440 4.907 4.470 -0.006 0.000 0.321 681 S C 1.177 175.653 174.600 -0.206 0.000 1.080 681 S CA -0.979 57.146 58.200 -0.125 0.000 1.106 681 S CB -0.103 63.026 63.200 -0.119 0.000 0.984 681 S HN 0.601 nan 8.310 nan 0.000 0.464 682 I N 5.142 125.569 120.570 -0.238 0.000 2.113 682 I HA -0.227 3.940 4.170 -0.006 0.000 0.242 682 I C 2.631 178.439 176.117 -0.515 0.000 1.064 682 I CA 2.130 63.146 61.300 -0.473 0.000 1.320 682 I CB -1.638 36.041 38.000 -0.535 0.000 1.028 682 I HN 0.932 nan 8.210 nan 0.000 0.406 683 H N 2.080 120.960 119.070 -0.317 0.000 2.423 683 H HA -0.161 4.392 4.556 -0.006 0.000 0.297 683 H C 1.868 177.171 175.328 -0.043 0.000 1.075 683 H CA 1.680 57.635 56.048 -0.156 0.000 1.342 683 H CB -0.308 29.401 29.762 -0.088 0.000 1.395 683 H HN 0.633 nan 8.280 nan 0.000 0.530 684 E N 1.074 120.802 120.200 -0.786 0.000 2.107 684 E HA -0.145 4.201 4.350 -0.006 0.000 0.191 684 E C 1.905 178.391 176.600 -0.191 0.000 0.982 684 E CA 1.057 57.125 56.400 -0.553 0.000 0.809 684 E CB -0.180 29.260 29.700 -0.433 0.000 0.756 684 E HN 0.610 nan 8.360 nan 0.000 0.459 685 E N -0.098 120.021 120.200 -0.135 0.000 2.072 685 E HA -0.104 4.243 4.350 -0.006 0.000 0.190 685 E C 1.792 178.506 176.600 0.191 0.000 0.982 685 E CA 0.754 57.153 56.400 -0.001 0.000 0.803 685 E CB -0.140 29.543 29.700 -0.029 0.000 0.755 685 E HN 0.231 nan 8.360 nan 0.000 0.453 686 F N 1.139 121.061 119.950 -0.046 0.000 2.095 686 F HA -0.178 4.346 4.527 -0.006 0.000 0.298 686 F C 2.188 178.021 175.800 0.055 0.000 1.104 686 F CA 0.977 58.980 58.000 0.005 0.000 1.232 686 F CB -0.836 38.170 39.000 0.010 0.000 0.987 686 F HN 0.020 nan 8.300 nan 0.000 0.475 687 L N -0.625 120.739 121.223 0.234 0.000 2.017 687 L HA -0.234 4.103 4.340 -0.006 0.000 0.208 687 L C 2.694 179.676 176.870 0.186 0.000 1.073 687 L CA 1.432 56.384 54.840 0.186 0.000 0.745 687 L CB -0.685 41.445 42.059 0.118 0.000 0.894 687 L HN 0.165 nan 8.230 nan 0.000 0.432 688 Q N 0.288 120.159 119.800 0.117 0.000 2.030 688 Q HA -0.252 4.084 4.340 -0.006 0.000 0.204 688 Q C 2.212 178.270 176.000 0.096 0.000 0.986 688 Q CA 2.072 57.926 55.803 0.085 0.000 0.843 688 Q CB -0.193 28.562 28.738 0.029 0.000 0.904 688 Q HN 0.497 nan 8.270 nan 0.000 0.420 689 M N -0.807 118.855 119.600 0.103 0.000 2.117 689 M HA -0.198 4.278 4.480 -0.006 0.000 0.262 689 M C 2.110 178.459 176.300 0.083 0.000 1.065 689 M CA 1.701 57.046 55.300 0.075 0.000 1.114 689 M CB -0.565 32.070 32.600 0.058 0.000 1.361 689 M HN 0.230 nan 8.290 nan 0.000 0.408 690 Y N 1.436 121.763 120.300 0.045 0.000 2.145 690 Y HA -0.259 4.287 4.550 -0.006 0.000 0.286 690 Y C 1.890 177.888 175.900 0.164 0.000 1.145 690 Y CA 1.813 59.950 58.100 0.062 0.000 1.148 690 Y CB -0.380 38.088 38.460 0.015 0.000 0.981 690 Y HN 0.192 nan 8.280 nan 0.000 0.507 691 D N 0.255 120.693 120.400 0.065 0.000 2.149 691 D HA -0.196 4.441 4.640 -0.006 0.000 0.198 691 D C 2.043 178.427 176.300 0.141 0.000 0.990 691 D CA 1.680 55.750 54.000 0.116 0.000 0.839 691 D CB -0.261 40.667 40.800 0.214 0.000 0.948 691 D HN 0.628 nan 8.370 nan 0.000 0.460 692 E N 0.148 120.393 120.200 0.074 0.000 2.072 692 E HA -0.103 4.244 4.350 -0.006 0.000 0.191 692 E C 2.010 178.626 176.600 0.027 0.000 0.985 692 E CA 0.938 57.371 56.400 0.056 0.000 0.801 692 E CB 0.030 29.745 29.700 0.025 0.000 0.750 692 E HN 0.168 nan 8.360 nan 0.000 0.452 693 A N 0.555 123.368 122.820 -0.011 0.000 1.877 693 A HA -0.208 4.108 4.320 -0.006 0.000 0.216 693 A C 1.923 179.484 177.584 -0.040 0.000 1.186 693 A CA 1.512 53.528 52.037 -0.035 0.000 0.620 693 A CB -1.240 17.734 19.000 -0.044 0.000 0.822 693 A HN 0.684 nan 8.150 nan 0.000 0.443 694 W N 0.782 121.918 121.300 -0.273 0.000 2.358 694 W HA -0.167 4.490 4.660 -0.006 0.000 0.303 694 W C 2.167 178.654 176.519 -0.052 0.000 1.208 694 W CA 2.087 59.320 57.345 -0.186 0.000 1.274 694 W CB -0.002 29.274 29.460 -0.305 0.000 1.138 694 W HN 0.281 nan 8.180 nan 0.000 0.515 695 K N 0.033 120.484 120.400 0.085 0.000 2.148 695 K HA -0.163 4.154 4.320 -0.006 0.000 0.204 695 K C 1.998 178.490 176.600 -0.181 0.000 1.050 695 K CA 1.575 57.808 56.287 -0.091 0.000 0.942 695 K CB -0.406 32.163 32.500 0.116 0.000 0.724 695 K HN 0.281 nan 8.250 nan 0.000 0.446 696 L N 0.328 121.480 121.223 -0.118 0.000 2.072 696 L HA -0.087 4.250 4.340 -0.006 0.000 0.205 696 L C 2.583 179.332 176.870 -0.202 0.000 1.079 696 L CA 1.099 55.871 54.840 -0.113 0.000 0.752 696 L CB -0.478 41.546 42.059 -0.058 0.000 0.906 696 L HN 0.218 nan 8.230 nan 0.000 0.436 697 A N -0.091 122.570 122.820 -0.265 0.000 1.940 697 A HA -0.257 4.060 4.320 -0.006 0.000 0.219 697 A C 2.452 179.742 177.584 -0.490 0.000 1.176 697 A CA 1.900 53.677 52.037 -0.433 0.000 0.631 697 A CB -0.550 18.212 19.000 -0.397 0.000 0.814 697 A HN 0.355 nan 8.150 nan 0.000 0.446 698 R N -0.722 119.535 120.500 -0.406 0.000 2.066 698 R HA -0.097 4.240 4.340 -0.006 0.000 0.224 698 R C 1.351 177.520 176.300 -0.219 0.000 1.122 698 R CA 1.400 57.307 56.100 -0.321 0.000 0.974 698 R CB -0.277 29.691 30.300 -0.555 0.000 0.871 698 R HN 0.388 nan 8.270 nan 0.000 0.435 699 D N 0.526 120.796 120.400 -0.216 0.000 2.178 699 D HA -0.120 4.517 4.640 -0.006 0.000 0.201 699 D C 1.027 177.238 176.300 -0.148 0.000 0.980 699 D CA 1.086 54.994 54.000 -0.152 0.000 0.842 699 D CB -0.151 40.584 40.800 -0.108 0.000 0.948 699 D HN 0.247 nan 8.370 nan 0.000 0.472 700 N N -0.715 117.890 118.700 -0.157 0.000 2.254 700 N HA -0.063 4.673 4.740 -0.006 0.000 0.190 700 N C 0.090 175.482 175.510 -0.196 0.000 1.107 700 N CA -0.212 52.733 53.050 -0.177 0.000 0.869 700 N CB 0.012 38.408 38.487 -0.152 0.000 0.983 700 N HN 0.196 nan 8.380 nan 0.000 0.487 701 Y N 2.792 122.917 120.300 -0.292 0.000 2.811 701 Y HA -0.159 4.388 4.550 -0.006 0.000 0.334 701 Y C 1.736 177.517 175.900 -0.198 0.000 1.247 701 Y CA -0.564 57.383 58.100 -0.254 0.000 1.526 701 Y CB 0.408 38.700 38.460 -0.281 0.000 1.284 701 Y HN 0.209 nan 8.280 nan 0.000 0.586 702 W N 4.659 125.375 121.300 -0.974 0.000 2.350 702 W HA -0.221 4.436 4.660 -0.005 0.000 0.289 702 W C -0.649 175.565 176.519 -0.508 0.000 1.215 702 W CA 1.051 57.974 57.345 -0.704 0.000 1.236 702 W CB -0.622 28.437 29.460 -0.668 0.000 1.130 702 W HN 0.621 nan 8.180 nan 0.000 0.541 703 N N 1.547 119.341 118.700 -1.510 0.000 2.469 703 N HA 0.044 4.780 4.740 -0.006 0.000 0.253 703 N C 0.940 176.209 175.510 -0.402 0.000 0.970 703 N CA -0.121 52.249 53.050 -1.134 0.000 0.940 703 N CB 1.254 38.766 38.487 -1.625 0.000 1.128 703 N HN 0.044 nan 8.380 nan 0.000 0.503 704 E N 3.346 123.360 120.200 -0.309 0.000 2.058 704 E HA -0.238 4.109 4.350 -0.006 0.000 0.194 704 E C 1.660 178.176 176.600 -0.139 0.000 0.997 704 E CA 1.477 57.770 56.400 -0.178 0.000 0.801 704 E CB 0.024 29.623 29.700 -0.168 0.000 0.746 704 E HN 0.771 nan 8.360 nan 0.000 0.450 705 A N 0.542 123.265 122.820 -0.162 0.000 1.865 705 A HA -0.191 4.126 4.320 -0.006 0.000 0.217 705 A C 2.448 179.970 177.584 -0.104 0.000 1.191 705 A CA 1.808 53.773 52.037 -0.119 0.000 0.623 705 A CB -0.962 17.966 19.000 -0.120 0.000 0.826 705 A HN 0.236 nan 8.150 nan 0.000 0.444 706 V N -0.043 119.798 119.914 -0.122 0.000 2.332 706 V HA -0.303 3.813 4.120 -0.006 0.000 0.248 706 V C 3.050 179.080 176.094 -0.107 0.000 1.055 706 V CA 2.098 64.339 62.300 -0.098 0.000 1.038 706 V CB -1.340 30.452 31.823 -0.053 0.000 0.651 706 V HN 0.648 nan 8.190 nan 0.000 0.450 707 A N -0.443 122.355 122.820 -0.037 0.000 1.978 707 A HA -0.291 4.026 4.320 -0.006 0.000 0.220 707 A C 2.347 179.890 177.584 -0.067 0.000 1.170 707 A CA 2.248 54.278 52.037 -0.012 0.000 0.636 707 A CB -0.486 18.538 19.000 0.041 0.000 0.810 707 A HN 0.578 nan 8.150 nan 0.000 0.448 708 K N -0.597 119.762 120.400 -0.067 0.000 2.025 708 K HA -0.170 4.147 4.320 -0.006 0.000 0.207 708 K C 2.157 178.738 176.600 -0.032 0.000 1.049 708 K CA 1.468 57.726 56.287 -0.048 0.000 0.933 708 K CB -0.151 32.322 32.500 -0.045 0.000 0.714 708 K HN 0.471 nan 8.250 nan 0.000 0.438 709 E N 0.889 121.059 120.200 -0.050 0.000 2.028 709 E HA -0.142 4.204 4.350 -0.006 0.000 0.190 709 E C 2.087 178.654 176.600 -0.053 0.000 0.984 709 E CA 0.867 57.245 56.400 -0.037 0.000 0.800 709 E CB 0.015 29.690 29.700 -0.042 0.000 0.758 709 E HN 0.259 nan 8.360 nan 0.000 0.448 710 I N 1.905 122.386 120.570 -0.147 0.000 2.151 710 I HA -0.302 3.865 4.170 -0.006 0.000 0.243 710 I C 2.777 178.791 176.117 -0.170 0.000 1.080 710 I CA 1.673 62.813 61.300 -0.267 0.000 1.339 710 I CB -1.787 35.817 38.000 -0.661 0.000 1.039 710 I HN 0.144 nan 8.210 nan 0.000 0.409 711 S N 1.201 116.828 115.700 -0.121 0.000 2.351 711 S HA -0.233 4.234 4.470 -0.006 0.000 0.220 711 S C 1.797 176.668 174.600 0.452 0.000 1.035 711 S CA 1.442 59.685 58.200 0.073 0.000 1.031 711 S CB -0.888 62.203 63.200 -0.181 0.000 0.928 711 S HN 0.527 nan 8.310 nan 0.000 0.433 712 E N 0.894 121.276 120.200 0.303 0.000 2.204 712 E HA -0.094 4.253 4.350 -0.006 0.000 0.195 712 E C 2.271 179.011 176.600 0.234 0.000 0.990 712 E CA 0.755 57.333 56.400 0.297 0.000 0.821 712 E CB -0.179 29.618 29.700 0.161 0.000 0.750 712 E HN 0.541 nan 8.360 nan 0.000 0.477 713 R N 1.205 121.809 120.500 0.173 0.000 2.299 713 R HA 0.007 4.343 4.340 -0.006 0.000 0.197 713 R C 1.878 178.282 176.300 0.172 0.000 0.971 713 R CA 0.459 56.636 56.100 0.128 0.000 1.030 713 R CB 0.138 30.478 30.300 0.066 0.000 0.932 713 R HN 0.308 nan 8.270 nan 0.000 0.477 714 I N -4.530 116.214 120.570 0.289 0.000 4.403 714 I HA 0.120 4.286 4.170 -0.006 0.000 0.331 714 I C 1.445 177.835 176.117 0.455 0.000 1.327 714 I CA -0.478 61.041 61.300 0.366 0.000 1.175 714 I CB -0.325 37.930 38.000 0.425 0.000 1.165 714 I HN -0.104 nan 8.210 nan 0.000 0.413 715 Y N 2.963 123.454 120.300 0.318 0.000 1.979 715 Y HA -0.367 4.180 4.550 -0.006 0.000 0.262 715 Y C 2.747 178.678 175.900 0.053 0.000 1.142 715 Y CA 2.805 60.917 58.100 0.019 0.000 1.096 715 Y CB -0.138 38.119 38.460 -0.338 0.000 0.958 715 Y HN 0.321 nan 8.280 nan 0.000 0.484 716 E N 0.565 120.750 120.200 -0.026 0.000 2.070 716 E HA -0.340 4.006 4.350 -0.006 0.000 0.197 716 E C 2.362 178.885 176.600 -0.129 0.000 1.004 716 E CA 1.796 58.127 56.400 -0.116 0.000 0.805 716 E CB -0.382 29.336 29.700 0.030 0.000 0.744 716 E HN 0.526 nan 8.360 nan 0.000 0.451 717 K N -0.319 120.037 120.400 -0.074 0.000 2.034 717 K HA -0.227 4.089 4.320 -0.006 0.000 0.214 717 K C 1.899 178.403 176.600 -0.160 0.000 1.051 717 K CA 2.028 58.217 56.287 -0.163 0.000 0.931 717 K CB -0.343 31.978 32.500 -0.297 0.000 0.715 717 K HN 0.283 nan 8.250 nan 0.000 0.446 718 Y N -0.130 120.190 120.300 0.035 0.000 2.517 718 Y HA 0.077 4.623 4.550 -0.006 0.000 0.281 718 Y C 2.482 178.086 175.900 -0.494 0.000 1.125 718 Y CA 0.465 58.538 58.100 -0.046 0.000 1.283 718 Y CB 0.145 38.688 38.460 0.139 0.000 1.042 718 Y HN 0.098 nan 8.280 nan 0.000 0.547 719 R N 0.677 120.855 120.500 -0.536 0.000 2.115 719 R HA -0.127 4.210 4.340 -0.006 0.000 0.226 719 R C 1.405 177.455 176.300 -0.417 0.000 1.100 719 R CA 1.227 56.837 56.100 -0.816 0.000 0.980 719 R CB -0.047 29.796 30.300 -0.761 0.000 0.875 719 R HN 0.279 nan 8.270 nan 0.000 0.445 720 N N 0.682 119.235 118.700 -0.244 0.000 2.443 720 N HA -0.129 4.607 4.740 -0.006 0.000 0.184 720 N C 1.437 176.868 175.510 -0.132 0.000 1.037 720 N CA 0.941 53.907 53.050 -0.139 0.000 0.896 720 N CB 0.030 38.481 38.487 -0.060 0.000 0.959 720 N HN 0.336 nan 8.380 nan 0.000 0.442 721 L N -0.338 120.786 121.223 -0.165 0.000 2.477 721 L HA 0.088 4.425 4.340 -0.006 0.000 0.220 721 L C 1.968 178.759 176.870 -0.131 0.000 1.106 721 L CA 0.047 54.799 54.840 -0.147 0.000 0.851 721 L CB -0.041 41.929 42.059 -0.148 0.000 0.994 721 L HN -0.116 nan 8.230 nan 0.000 0.462 722 V N 1.218 121.021 119.914 -0.186 0.000 2.287 722 V HA -0.165 3.951 4.120 -0.006 0.000 0.248 722 V C -0.071 176.035 176.094 0.020 0.000 1.053 722 V CA 2.071 64.303 62.300 -0.114 0.000 1.027 722 V CB -1.653 30.061 31.823 -0.182 0.000 0.646 722 V HN 0.388 nan 8.190 nan 0.000 0.447 723 P HA -0.120 nan 4.420 nan 0.000 0.225 723 P C 1.554 178.864 177.300 0.017 0.000 1.148 723 P CA 1.313 64.428 63.100 0.025 0.000 0.779 723 P CB -0.069 31.621 31.700 -0.015 0.000 0.780 724 L N -1.422 119.797 121.223 -0.007 0.000 2.492 724 L HA 0.064 4.401 4.340 -0.006 0.000 0.223 724 L C 1.207 178.098 176.870 0.035 0.000 1.132 724 L CA 0.044 54.875 54.840 -0.015 0.000 0.850 724 L CB -0.721 41.302 42.059 -0.060 0.000 0.966 724 L HN -0.086 nan 8.230 nan 0.000 0.454 725 C N 0.927 120.286 119.300 0.098 0.000 2.585 725 C HA 0.159 4.616 4.460 -0.006 0.000 0.406 725 C C 1.494 176.693 174.990 0.348 0.000 1.312 725 C CA -0.304 58.833 59.018 0.198 0.000 1.924 725 C CB 0.673 28.501 27.740 0.146 0.000 2.578 725 C HN 0.326 nan 8.230 nan 0.000 0.580 726 K N 0.352 120.931 120.400 0.299 0.000 2.450 726 K HA 0.130 4.446 4.320 -0.006 0.000 0.206 726 K C 0.778 177.537 176.600 0.265 0.000 1.148 726 K CA 0.320 56.729 56.287 0.204 0.000 1.014 726 K CB 0.510 33.076 32.500 0.109 0.000 0.966 726 K HN 0.882 nan 8.250 nan 0.000 0.566 727 T N -3.021 111.770 114.554 0.395 0.000 2.916 727 T HA 0.397 4.744 4.350 -0.006 0.000 0.292 727 T C 0.723 175.662 174.700 0.399 0.000 1.055 727 T CA -0.877 61.449 62.100 0.377 0.000 1.009 727 T CB 2.165 71.198 68.868 0.275 0.000 1.118 727 T HN -0.166 nan 8.240 nan 0.000 0.497 728 R N 0.077 120.746 120.500 0.282 0.000 2.105 728 R HA -0.108 4.229 4.340 -0.006 0.000 0.239 728 R C 1.862 178.143 176.300 -0.032 0.000 1.135 728 R CA 1.763 57.817 56.100 -0.076 0.000 0.967 728 R CB -1.541 28.510 30.300 -0.415 0.000 0.861 728 R HN 0.791 nan 8.270 nan 0.000 0.442 729 Y N 1.096 121.516 120.300 0.199 0.000 2.274 729 Y HA -0.166 4.381 4.550 -0.006 0.000 0.290 729 Y C 1.417 177.408 175.900 0.151 0.000 1.145 729 Y CA 1.882 60.193 58.100 0.352 0.000 1.203 729 Y CB -0.241 38.404 38.460 0.307 0.000 0.984 729 Y HN 0.160 nan 8.280 nan 0.000 0.533 730 D N 0.141 120.557 120.400 0.026 0.000 2.084 730 D HA -0.221 4.416 4.640 -0.006 0.000 0.194 730 D C 2.413 178.595 176.300 -0.196 0.000 0.990 730 D CA 1.358 55.308 54.000 -0.083 0.000 0.826 730 D CB -0.603 40.225 40.800 0.047 0.000 0.971 730 D HN 0.384 nan 8.370 nan 0.000 0.453 731 L N 0.543 121.563 121.223 -0.338 0.000 2.127 731 L HA -0.188 4.148 4.340 -0.006 0.000 0.211 731 L C 2.377 179.118 176.870 -0.216 0.000 1.089 731 L CA 1.027 55.596 54.840 -0.451 0.000 0.757 731 L CB -0.187 41.304 42.059 -0.947 0.000 0.899 731 L HN 0.006 nan 8.230 nan 0.000 0.434 732 S N 0.017 115.636 115.700 -0.134 0.000 2.368 732 S HA -0.199 4.268 4.470 -0.006 0.000 0.224 732 S C 1.569 176.123 174.600 -0.077 0.000 1.029 732 S CA 1.862 60.058 58.200 -0.007 0.000 0.988 732 S CB -0.177 63.153 63.200 0.215 0.000 0.838 732 S HN 0.522 nan 8.310 nan 0.000 0.462 733 N N 0.415 118.999 118.700 -0.194 0.000 2.149 733 N HA -0.070 4.666 4.740 -0.006 0.000 0.188 733 N C 1.589 177.063 175.510 -0.060 0.000 1.019 733 N CA 1.487 54.444 53.050 -0.155 0.000 0.857 733 N CB -0.278 38.080 38.487 -0.215 0.000 0.997 733 N HN 0.236 nan 8.380 nan 0.000 0.426 734 V N 0.627 120.505 119.914 -0.060 0.000 2.323 734 V HA -0.118 3.998 4.120 -0.006 0.000 0.244 734 V C 2.044 178.144 176.094 0.010 0.000 1.041 734 V CA 1.221 63.526 62.300 0.008 0.000 1.025 734 V CB -0.421 31.389 31.823 -0.021 0.000 0.656 734 V HN 0.277 nan 8.190 nan 0.000 0.451 735 I N -0.178 120.413 120.570 0.034 0.000 2.226 735 I HA -0.216 3.950 4.170 -0.006 0.000 0.245 735 I C 2.371 178.487 176.117 -0.002 0.000 1.100 735 I CA 1.275 62.614 61.300 0.064 0.000 1.374 735 I CB -0.305 37.732 38.000 0.060 0.000 1.057 735 I HN 0.138 nan 8.210 nan 0.000 0.413 736 V N 0.413 120.330 119.914 0.005 0.000 2.343 736 V HA -0.240 3.877 4.120 -0.006 0.000 0.247 736 V C 2.464 178.550 176.094 -0.014 0.000 1.051 736 V CA 1.669 63.991 62.300 0.036 0.000 1.036 736 V CB -0.618 31.254 31.823 0.081 0.000 0.654 736 V HN 0.401 nan 8.190 nan 0.000 0.451 737 E N 0.196 120.340 120.200 -0.094 0.000 2.077 737 E HA -0.269 4.078 4.350 -0.006 0.000 0.193 737 E C 2.190 178.467 176.600 -0.539 0.000 0.989 737 E CA 1.955 58.239 56.400 -0.193 0.000 0.800 737 E CB -0.365 29.306 29.700 -0.048 0.000 0.746 737 E HN 0.751 nan 8.360 nan 0.000 0.452 738 M N 0.327 119.458 119.600 -0.781 0.000 2.229 738 M HA -0.098 4.378 4.480 -0.006 0.000 0.264 738 M C 1.749 177.976 176.300 -0.120 0.000 1.063 738 M CA 1.571 56.449 55.300 -0.704 0.000 1.114 738 M CB -0.246 32.157 32.600 -0.329 0.000 1.387 738 M HN -0.112 nan 8.290 nan 0.000 0.420 739 Q N 0.528 120.311 119.800 -0.028 0.000 2.119 739 Q HA 0.025 4.361 4.340 -0.006 0.000 0.201 739 Q C 2.219 178.311 176.000 0.153 0.000 0.972 739 Q CA 1.298 57.167 55.803 0.109 0.000 0.847 739 Q CB -0.597 28.183 28.738 0.070 0.000 0.903 739 Q HN 0.800 nan 8.270 nan 0.000 0.433 740 G N 1.237 110.077 108.800 0.066 0.000 2.448 740 G HA2 -0.247 3.710 3.960 -0.006 0.000 0.219 740 G HA3 -0.247 3.710 3.960 -0.006 0.000 0.219 740 G C 1.143 176.077 174.900 0.057 0.000 1.127 740 G CA 0.430 45.569 45.100 0.066 0.000 0.766 740 G HN 0.201 nan 8.290 nan 0.000 0.552 741 E N 0.108 120.313 120.200 0.008 0.000 2.333 741 E HA -0.138 4.208 4.350 -0.006 0.000 0.200 741 E C 1.477 177.978 176.600 -0.165 0.000 1.010 741 E CA 0.654 57.023 56.400 -0.052 0.000 0.841 741 E CB -0.268 29.386 29.700 -0.076 0.000 0.757 741 E HN 0.706 nan 8.360 nan 0.000 0.508 742 Y N 0.168 120.426 120.300 -0.070 0.000 2.511 742 Y HA 0.126 4.672 4.550 -0.006 0.000 0.279 742 Y C 0.731 176.621 175.900 -0.017 0.000 1.157 742 Y CA 0.017 58.016 58.100 -0.169 0.000 1.300 742 Y CB 0.108 38.393 38.460 -0.291 0.000 1.052 742 Y HN -0.115 nan 8.280 nan 0.000 0.529 743 R N 0.325 120.944 120.500 0.199 0.000 3.484 743 R HA -0.180 4.156 4.340 -0.006 0.000 0.260 743 R C -0.569 175.929 176.300 0.331 0.000 1.053 743 R CA 1.018 57.332 56.100 0.356 0.000 0.703 743 R CB -2.429 28.054 30.300 0.305 0.000 1.089 743 R HN 0.116 nan 8.270 nan 0.000 0.459 744 T N -1.157 113.364 114.554 -0.056 0.000 2.916 744 T HA 0.461 4.808 4.350 -0.006 0.000 0.292 744 T C 0.438 174.422 174.700 -1.192 0.000 1.064 744 T CA -0.375 61.534 62.100 -0.317 0.000 1.011 744 T CB 1.886 70.829 68.868 0.124 0.000 1.152 744 T HN 0.231 nan 8.240 nan 0.000 0.510 745 S N 0.079 114.952 115.700 -1.379 0.000 2.633 745 S HA 0.250 4.716 4.470 -0.006 0.000 0.257 745 S C 0.030 174.346 174.600 -0.473 0.000 1.265 745 S CA -0.187 57.168 58.200 -1.408 0.000 0.980 745 S CB -0.398 62.148 63.200 -1.090 0.000 1.017 745 S HN 0.913 nan 8.310 nan 0.000 0.577 746 H N -1.469 117.360 119.070 -0.401 0.000 2.741 746 H HA -0.116 4.437 4.556 -0.006 0.000 0.305 746 H C -0.508 174.266 175.328 -0.925 0.000 1.169 746 H CA 0.873 56.459 56.048 -0.770 0.000 1.144 746 H CB -2.294 27.255 29.762 -0.355 0.000 1.397 746 H HN 0.448 nan 8.280 nan 0.000 0.409 747 S N 0.907 116.244 115.700 -0.606 0.000 2.567 747 S HA 0.400 4.867 4.470 -0.006 0.000 0.262 747 S C -0.206 174.320 174.600 -0.123 0.000 1.237 747 S CA -0.650 57.383 58.200 -0.278 0.000 1.093 747 S CB 0.207 63.363 63.200 -0.073 0.000 1.095 747 S HN 0.337 nan 8.310 nan 0.000 0.489 748 Y N 0.961 121.259 120.300 -0.003 0.000 2.631 748 Y HA 0.607 5.153 4.550 -0.006 0.000 0.328 748 Y C 0.528 176.413 175.900 -0.025 0.000 1.118 748 Y CA -1.299 56.770 58.100 -0.052 0.000 1.206 748 Y CB 1.155 39.575 38.460 -0.068 0.000 1.337 748 Y HN 0.310 nan 8.280 nan 0.000 0.515 749 E N 2.228 122.524 120.200 0.159 0.000 2.283 749 E HA 0.385 4.732 4.350 -0.006 0.000 0.258 749 E C -1.825 174.828 176.600 0.088 0.000 0.893 749 E CA -0.419 56.049 56.400 0.113 0.000 0.798 749 E CB 1.089 30.857 29.700 0.112 0.000 1.242 749 E HN 0.667 nan 8.360 nan 0.000 0.414 750 M N 2.271 121.928 119.600 0.094 0.000 2.662 750 M HA 0.616 5.093 4.480 -0.006 0.000 0.310 750 M C 0.555 176.920 176.300 0.107 0.000 1.204 750 M CA -0.237 55.099 55.300 0.060 0.000 0.891 750 M CB 1.961 34.581 32.600 0.033 0.000 1.732 750 M HN 0.762 nan 8.290 nan 0.000 0.467 751 G N 0.842 109.700 108.800 0.097 0.000 2.601 751 G HA2 0.226 4.183 3.960 -0.006 0.000 0.261 751 G HA3 0.226 4.183 3.960 -0.006 0.000 0.261 751 G C 0.052 175.128 174.900 0.294 0.000 1.289 751 G CA -0.091 45.097 45.100 0.147 0.000 0.920 751 G HN 1.810 nan 8.290 nan 0.000 0.571 752 G N -3.800 105.156 108.800 0.261 0.000 2.663 752 G HA2 0.469 4.426 3.960 -0.006 0.000 0.686 752 G HA3 0.469 4.426 3.960 -0.006 0.000 0.686 752 G C -0.359 174.733 174.900 0.320 0.000 1.288 752 G CA 0.389 45.650 45.100 0.269 0.000 0.836 752 G HN 2.118 nan 8.290 nan 0.000 0.584 753 T N 1.323 115.981 114.554 0.173 0.000 2.842 753 T HA 0.584 4.931 4.350 -0.006 0.000 0.308 753 T C 0.583 175.332 174.700 0.083 0.000 1.041 753 T CA -0.163 62.072 62.100 0.225 0.000 0.964 753 T CB 0.775 69.816 68.868 0.288 0.000 0.972 753 T HN 0.450 nan 8.240 nan 0.000 0.460 754 F N 1.040 121.056 119.950 0.109 0.000 2.694 754 F HA 0.308 4.831 4.527 -0.006 0.000 0.292 754 F C 1.586 177.436 175.800 0.082 0.000 1.121 754 F CA -0.278 57.789 58.000 0.112 0.000 1.352 754 F CB 0.882 39.944 39.000 0.104 0.000 1.107 754 F HN 0.437 nan 8.300 nan 0.000 0.597 755 T N -0.992 113.705 114.554 0.239 0.000 2.816 755 T HA 0.208 4.554 4.350 -0.006 0.000 0.299 755 T C -1.070 173.679 174.700 0.082 0.000 1.230 755 T CA -0.593 61.580 62.100 0.122 0.000 1.007 755 T CB 1.521 70.429 68.868 0.067 0.000 1.289 755 T HN 0.164 nan 8.240 nan 0.000 0.508 756 D N 0.497 120.921 120.400 0.040 0.000 2.501 756 D HA 0.180 4.817 4.640 -0.006 0.000 0.224 756 D C -0.076 176.214 176.300 -0.017 0.000 1.202 756 D CA -0.392 53.621 54.000 0.023 0.000 0.829 756 D CB 0.331 41.148 40.800 0.028 0.000 1.023 756 D HN 0.205 nan 8.370 nan 0.000 0.499 757 K N 1.445 121.820 120.400 -0.043 0.000 2.249 757 K HA 0.158 4.474 4.320 -0.006 0.000 0.280 757 K C -0.106 176.421 176.600 -0.122 0.000 1.033 757 K CA -0.508 55.720 56.287 -0.098 0.000 0.946 757 K CB 1.246 33.657 32.500 -0.148 0.000 1.005 757 K HN 0.048 nan 8.250 nan 0.000 0.469 758 D N 4.350 124.672 120.400 -0.131 0.000 2.424 758 D HA 0.072 4.709 4.640 -0.006 0.000 0.244 758 D C -1.980 174.199 176.300 -0.203 0.000 1.134 758 D CA -1.125 52.800 54.000 -0.125 0.000 0.881 758 D CB 0.381 41.125 40.800 -0.093 0.000 1.191 758 D HN 0.231 nan 8.370 nan 0.000 0.445 759 P HA -0.026 nan 4.420 nan 0.000 0.267 759 P C -0.126 177.091 177.300 -0.140 0.000 1.200 759 P CA -0.138 62.876 63.100 -0.143 0.000 0.772 759 P CB 0.376 32.052 31.700 -0.041 0.000 0.855 760 F N 1.894 121.840 119.950 -0.007 0.000 2.518 760 F HA 0.126 4.649 4.527 -0.006 0.000 0.359 760 F C 1.810 177.614 175.800 0.007 0.000 1.118 760 F CA 0.690 58.686 58.000 -0.006 0.000 1.287 760 F CB 0.246 39.230 39.000 -0.026 0.000 1.132 760 F HN 0.077 nan 8.300 nan 0.000 0.587 761 R N 1.111 121.758 120.500 0.245 0.000 2.732 761 R HA 0.617 4.953 4.340 -0.006 0.000 0.278 761 R C -0.815 175.589 176.300 0.174 0.000 0.976 761 R CA -0.872 55.324 56.100 0.161 0.000 0.963 761 R CB 1.950 32.324 30.300 0.123 0.000 1.150 761 R HN 0.584 nan 8.270 nan 0.000 0.478 762 S N -0.274 115.508 115.700 0.137 0.000 2.547 762 S HA 0.562 5.028 4.470 -0.006 0.000 0.281 762 S C -0.727 173.946 174.600 0.122 0.000 1.118 762 S CA -0.614 57.675 58.200 0.149 0.000 0.947 762 S CB 1.681 64.961 63.200 0.133 0.000 1.053 762 S HN 0.742 nan 8.310 nan 0.000 0.482 763 G N 3.504 112.382 108.800 0.130 0.000 2.329 763 G HA2 0.599 4.555 3.960 -0.006 0.000 0.309 763 G HA3 0.599 4.555 3.960 -0.006 0.000 0.309 763 G C -0.680 174.291 174.900 0.119 0.000 1.110 763 G CA -0.543 44.615 45.100 0.096 0.000 0.923 763 G HN 0.672 nan 8.290 nan 0.000 0.430 764 R N 1.219 121.775 120.500 0.093 0.000 2.750 764 R HA 0.543 4.880 4.340 -0.006 0.000 0.281 764 R C 0.467 176.819 176.300 0.086 0.000 0.972 764 R CA -0.773 55.385 56.100 0.096 0.000 0.912 764 R CB 2.080 32.408 30.300 0.048 0.000 1.187 764 R HN 0.603 nan 8.270 nan 0.000 0.464 765 I N -1.238 119.394 120.570 0.102 0.000 3.817 765 I HA 0.480 4.646 4.170 -0.006 0.000 0.322 765 I C 0.046 176.207 176.117 0.074 0.000 1.512 765 I CA -0.480 60.877 61.300 0.095 0.000 1.066 765 I CB 1.490 39.563 38.000 0.122 0.000 1.336 765 I HN 0.640 nan 8.210 nan 0.000 0.539 766 A N 0.245 123.082 122.820 0.029 0.000 2.610 766 A HA -0.183 4.133 4.320 -0.006 0.000 0.299 766 A C 0.097 177.746 177.584 0.109 0.000 1.487 766 A CA 0.909 52.957 52.037 0.017 0.000 0.743 766 A CB -2.461 16.586 19.000 0.078 0.000 1.070 766 A HN 0.684 nan 8.150 nan 0.000 0.439 767 C N 0.007 119.287 119.300 -0.033 0.000 3.090 767 C HA 0.712 5.169 4.460 -0.006 0.000 0.305 767 C C -0.684 174.027 174.990 -0.464 0.000 1.292 767 C CA -0.798 58.136 59.018 -0.141 0.000 1.482 767 C CB 2.170 29.791 27.740 -0.199 0.000 1.897 767 C HN 0.668 nan 8.230 nan 0.000 0.469 768 D N 1.332 121.521 120.400 -0.351 0.000 2.344 768 D HA 0.539 5.175 4.640 -0.006 0.000 0.239 768 D C -0.852 175.224 176.300 -0.373 0.000 1.064 768 D CA 0.096 53.897 54.000 -0.331 0.000 0.829 768 D CB 0.835 41.638 40.800 0.006 0.000 1.129 768 D HN 0.287 nan 8.370 nan 0.000 0.506 769 F N 1.026 121.087 119.950 0.184 0.000 2.397 769 F HA 0.421 4.944 4.527 -0.007 0.000 0.331 769 F C 0.991 176.969 175.800 0.297 0.000 1.090 769 F CA -0.822 57.286 58.000 0.179 0.000 1.065 769 F CB 1.625 40.621 39.000 -0.007 0.000 1.184 769 F HN -0.139 nan 8.300 nan 0.000 0.499 770 K N 2.966 123.654 120.400 0.480 0.000 2.426 770 K HA 0.318 4.634 4.320 -0.006 0.000 0.254 770 K C -1.425 175.356 176.600 0.302 0.000 0.936 770 K CA -0.752 55.748 56.287 0.355 0.000 0.801 770 K CB 1.462 34.099 32.500 0.227 0.000 1.139 770 K HN 0.618 nan 8.250 nan 0.000 0.424 771 L N 5.196 126.535 121.223 0.194 0.000 2.454 771 L HA 0.166 4.502 4.340 -0.006 0.000 0.284 771 L C -0.756 176.097 176.870 -0.028 0.000 1.139 771 L CA 0.684 55.475 54.840 -0.081 0.000 0.911 771 L CB 0.189 42.140 42.059 -0.181 0.000 1.262 771 L HN 0.778 nan 8.230 nan 0.000 0.453 772 D N 4.350 124.744 120.400 -0.009 0.000 2.414 772 D HA 0.451 5.087 4.640 -0.006 0.000 0.232 772 D C 0.642 176.940 176.300 -0.003 0.000 1.070 772 D CA 0.716 54.726 54.000 0.017 0.000 0.839 772 D CB 1.643 42.477 40.800 0.056 0.000 1.079 772 D HN 0.803 nan 8.370 nan 0.000 0.521 773 G N 5.232 114.018 108.800 -0.023 0.000 2.536 773 G HA2 -0.310 3.646 3.960 -0.006 0.000 0.280 773 G HA3 -0.310 3.646 3.960 -0.006 0.000 0.280 773 G C 0.250 175.090 174.900 -0.099 0.000 1.152 773 G CA 0.574 45.656 45.100 -0.031 0.000 0.970 773 G HN 0.635 nan 8.290 nan 0.000 0.549 774 D N -0.292 120.024 120.400 -0.139 0.000 2.538 774 D HA 0.393 5.029 4.640 -0.006 0.000 0.231 774 D C 0.395 176.377 176.300 -0.530 0.000 1.229 774 D CA -0.107 53.712 54.000 -0.301 0.000 0.828 774 D CB 0.012 40.637 40.800 -0.291 0.000 1.035 774 D HN 0.617 nan 8.370 nan 0.000 0.495 775 H N -0.394 118.589 119.070 -0.146 0.000 2.821 775 H HA 0.300 4.852 4.556 -0.006 0.000 0.373 775 H C -1.075 174.183 175.328 -0.118 0.000 1.165 775 H CA -0.665 55.321 56.048 -0.104 0.000 1.154 775 H CB 1.305 31.050 29.762 -0.028 0.000 1.765 775 H HN -0.005 nan 8.280 nan 0.000 0.549 776 Y N 0.403 120.768 120.300 0.109 0.000 2.323 776 Y HA 0.311 4.858 4.550 -0.005 0.000 0.331 776 Y C 0.314 176.286 175.900 0.120 0.000 1.092 776 Y CA -0.417 57.729 58.100 0.076 0.000 1.150 776 Y CB 1.770 40.200 38.460 -0.050 0.000 1.200 776 Y HN 0.199 nan 8.280 nan 0.000 0.472 777 V N 4.538 124.647 119.914 0.326 0.000 2.604 777 V HA 0.427 4.544 4.120 -0.006 0.000 0.305 777 V C -0.907 175.363 176.094 0.293 0.000 1.043 777 V CA -0.921 61.527 62.300 0.245 0.000 0.888 777 V CB 1.845 33.766 31.823 0.163 0.000 0.995 777 V HN 0.528 nan 8.190 nan 0.000 0.429 778 V N 7.749 127.819 119.914 0.261 0.000 2.409 778 V HA 0.177 4.293 4.120 -0.006 0.000 0.270 778 V C 1.395 177.564 176.094 0.124 0.000 1.019 778 V CA 0.961 63.389 62.300 0.215 0.000 1.066 778 V CB 0.381 32.304 31.823 0.168 0.000 1.021 778 V HN 1.118 nan 8.190 nan 0.000 0.476 779 A N 5.233 128.110 122.820 0.094 0.000 2.016 779 A HA 0.111 4.428 4.320 -0.006 0.000 0.217 779 A C 1.055 178.635 177.584 -0.005 0.000 1.162 779 A CA 0.853 52.927 52.037 0.061 0.000 0.662 779 A CB 0.137 19.187 19.000 0.084 0.000 0.812 779 A HN 0.672 nan 8.150 nan 0.000 0.450 780 K N -1.430 118.935 120.400 -0.058 0.000 2.557 780 K HA 0.548 4.865 4.320 -0.006 0.000 0.257 780 K C -1.908 174.588 176.600 -0.173 0.000 0.933 780 K CA -0.201 55.984 56.287 -0.171 0.000 0.820 780 K CB 1.739 34.050 32.500 -0.316 0.000 1.330 780 K HN 0.138 nan 8.250 nan 0.000 0.432 781 A N 4.150 126.881 122.820 -0.148 0.000 2.399 781 A HA 0.424 4.740 4.320 -0.006 0.000 0.327 781 A C -1.367 176.257 177.584 0.066 0.000 1.367 781 A CA -0.513 51.516 52.037 -0.013 0.000 0.842 781 A CB -0.062 18.917 19.000 -0.034 0.000 1.142 781 A HN 0.597 nan 8.150 nan 0.000 0.495 782 Y N 1.071 121.418 120.300 0.079 0.000 2.610 782 Y HA 0.331 4.876 4.550 -0.007 0.000 0.332 782 Y C 0.899 176.831 175.900 0.054 0.000 1.201 782 Y CA 1.176 59.297 58.100 0.036 0.000 1.465 782 Y CB 0.806 39.241 38.460 -0.042 0.000 1.283 782 Y HN 0.837 nan 8.280 nan 0.000 0.563 783 A N 1.903 124.727 122.820 0.007 0.000 2.513 783 A HA 0.646 4.963 4.320 -0.006 0.000 0.296 783 A C 0.164 177.518 177.584 -0.384 0.000 1.052 783 A CA -0.090 51.764 52.037 -0.305 0.000 0.714 783 A CB 0.707 19.247 19.000 -0.767 0.000 1.279 783 A HN 0.832 nan 8.150 nan 0.000 0.397 784 G N 0.086 108.661 108.800 -0.375 0.000 2.992 784 G HA2 0.387 4.344 3.960 -0.006 0.000 0.195 784 G HA3 0.387 4.344 3.960 -0.006 0.000 0.195 784 G C -0.367 174.311 174.900 -0.371 0.000 2.032 784 G CA 0.571 45.477 45.100 -0.323 0.000 0.831 784 G HN 0.672 nan 8.290 nan 0.000 0.647 785 D N -0.441 119.809 120.400 -0.249 0.000 2.396 785 D HA 0.242 4.878 4.640 -0.006 0.000 0.225 785 D C 0.614 176.832 176.300 -0.138 0.000 1.121 785 D CA -0.678 53.226 54.000 -0.160 0.000 0.853 785 D CB 0.787 41.554 40.800 -0.054 0.000 1.043 785 D HN 0.214 nan 8.370 nan 0.000 0.500 786 Y N 1.758 121.985 120.300 -0.122 0.000 2.228 786 Y HA -0.218 4.326 4.550 -0.009 0.000 0.285 786 Y C 2.463 178.316 175.900 -0.079 0.000 1.178 786 Y CA 1.143 59.156 58.100 -0.146 0.000 1.202 786 Y CB -0.112 38.239 38.460 -0.181 0.000 0.974 786 Y HN 0.348 nan 8.280 nan 0.000 0.527 787 S N -0.779 114.978 115.700 0.095 0.000 2.528 787 S HA 0.017 4.484 4.470 -0.006 0.000 0.219 787 S C 0.628 175.251 174.600 0.038 0.000 0.985 787 S CA -0.190 58.044 58.200 0.055 0.000 0.914 787 S CB -0.179 63.046 63.200 0.043 0.000 0.776 787 S HN 0.304 nan 8.310 nan 0.000 0.526 788 N N 2.154 120.874 118.700 0.033 0.000 2.347 788 N HA 0.137 4.874 4.740 -0.006 0.000 0.253 788 N C 0.014 175.552 175.510 0.048 0.000 1.274 788 N CA -0.063 53.012 53.050 0.041 0.000 0.941 788 N CB 0.307 38.828 38.487 0.057 0.000 1.200 788 N HN 0.319 nan 8.380 nan 0.000 0.514 789 E N -0.653 119.578 120.200 0.052 0.000 2.301 789 E HA 0.334 4.680 4.350 -0.006 0.000 0.275 789 E C 0.126 176.781 176.600 0.091 0.000 1.030 789 E CA -0.460 55.968 56.400 0.047 0.000 0.852 789 E CB 0.298 30.005 29.700 0.011 0.000 1.060 789 E HN 0.704 nan 8.360 nan 0.000 0.401 790 G N 3.878 112.731 108.800 0.088 0.000 2.356 790 G HA2 -0.297 3.660 3.960 -0.006 0.000 0.296 790 G HA3 -0.297 3.660 3.960 -0.006 0.000 0.296 790 G C 0.129 175.143 174.900 0.190 0.000 1.022 790 G CA 0.770 45.951 45.100 0.135 0.000 0.961 790 G HN 0.707 nan 8.290 nan 0.000 0.510 791 E N -0.656 119.596 120.200 0.087 0.000 2.887 791 E HA 0.203 4.549 4.350 -0.006 0.000 0.206 791 E C 0.689 177.245 176.600 -0.073 0.000 0.983 791 E CA 0.126 56.511 56.400 -0.025 0.000 1.141 791 E CB 0.377 30.028 29.700 -0.082 0.000 1.061 791 E HN 0.824 nan 8.360 nan 0.000 0.468 792 K N -1.371 119.044 120.400 0.024 0.000 2.615 792 K HA 0.342 4.659 4.320 -0.006 0.000 0.291 792 K C -0.726 176.023 176.600 0.247 0.000 1.017 792 K CA -0.848 55.493 56.287 0.089 0.000 0.882 792 K CB 1.290 33.779 32.500 -0.018 0.000 1.522 792 K HN -0.073 nan 8.250 nan 0.000 0.412 793 S N 1.249 117.213 115.700 0.441 0.000 2.531 793 S HA 0.167 4.634 4.470 -0.006 0.000 0.279 793 S C -1.282 173.490 174.600 0.287 0.000 1.305 793 S CA -1.341 57.034 58.200 0.292 0.000 1.058 793 S CB 0.391 63.696 63.200 0.175 0.000 0.899 793 S HN 0.531 nan 8.310 nan 0.000 0.493 794 P HA -0.125 nan 4.420 nan 0.000 0.222 794 P C 1.338 178.750 177.300 0.188 0.000 1.142 794 P CA 1.059 64.261 63.100 0.171 0.000 0.788 794 P CB -0.033 31.744 31.700 0.129 0.000 0.767 795 I N -1.685 118.945 120.570 0.099 0.000 2.394 795 I HA -0.200 3.966 4.170 -0.006 0.000 0.251 795 I C 2.237 178.399 176.117 0.076 0.000 1.136 795 I CA 1.139 62.460 61.300 0.035 0.000 1.425 795 I CB -0.641 37.253 38.000 -0.176 0.000 1.079 795 I HN -0.173 nan 8.210 nan 0.000 0.425 796 F N 1.312 121.330 119.950 0.112 0.000 2.236 796 F HA -0.234 4.289 4.527 -0.006 0.000 0.302 796 F C 2.395 178.235 175.800 0.066 0.000 1.073 796 F CA 1.238 59.296 58.000 0.097 0.000 1.336 796 F CB -0.397 38.693 39.000 0.149 0.000 1.040 796 F HN 0.113 nan 8.300 nan 0.000 0.507 797 E N -1.065 119.270 120.200 0.226 0.000 2.333 797 E HA -0.221 4.125 4.350 -0.006 0.000 0.198 797 E C 1.079 177.593 176.600 -0.143 0.000 1.007 797 E CA 0.942 57.355 56.400 0.022 0.000 0.845 797 E CB -0.250 29.414 29.700 -0.060 0.000 0.766 797 E HN 0.553 nan 8.360 nan 0.000 0.507 798 Y N -0.179 120.140 120.300 0.031 0.000 2.461 798 Y HA 0.178 4.730 4.550 0.004 0.000 0.277 798 Y C 1.390 177.289 175.900 -0.001 0.000 1.182 798 Y CA 0.390 58.489 58.100 -0.001 0.000 1.276 798 Y CB 0.905 39.344 38.460 -0.035 0.000 1.087 798 Y HN 0.044 nan 8.280 nan 0.000 0.519 799 G N 1.543 110.415 108.800 0.120 0.000 2.212 799 G HA2 -0.260 3.697 3.960 -0.006 0.000 0.255 799 G HA3 -0.260 3.697 3.960 -0.006 0.000 0.255 799 G C -0.194 174.753 174.900 0.079 0.000 1.062 799 G CA 0.351 45.503 45.100 0.088 0.000 0.815 799 G HN 0.488 nan 8.290 nan 0.000 0.497 800 I N -3.849 116.757 120.570 0.059 0.000 2.841 800 I HA 0.690 4.857 4.170 -0.006 0.000 0.298 800 I C -1.264 174.769 176.117 -0.140 0.000 1.304 800 I CA -1.548 59.738 61.300 -0.022 0.000 1.019 800 I CB 2.279 40.203 38.000 -0.128 0.000 1.282 800 I HN -0.040 nan 8.210 nan 0.000 0.432 801 D N 6.571 126.925 120.400 -0.076 0.000 2.317 801 D HA 0.358 4.994 4.640 -0.006 0.000 0.234 801 D C -1.594 174.570 176.300 -0.228 0.000 1.112 801 D CA -2.372 51.519 54.000 -0.182 0.000 0.840 801 D CB 1.834 42.730 40.800 0.159 0.000 1.078 801 D HN 0.435 nan 8.370 nan 0.000 0.486 802 P HA -0.078 nan 4.420 nan 0.000 0.228 802 P C 0.129 177.456 177.300 0.045 0.000 1.151 802 P CA 0.231 63.134 63.100 -0.329 0.000 0.770 802 P CB -0.064 31.446 31.700 -0.316 0.000 0.786 803 T N 0.539 115.128 114.554 0.058 0.000 2.866 803 T HA 0.280 4.626 4.350 -0.006 0.000 0.293 803 T C 1.563 176.379 174.700 0.192 0.000 1.005 803 T CA 1.276 63.441 62.100 0.108 0.000 1.162 803 T CB -0.105 68.808 68.868 0.075 0.000 0.968 803 T HN 0.380 nan 8.240 nan 0.000 0.530 804 G N 2.363 111.248 108.800 0.142 0.000 2.284 804 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.247 804 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.247 804 G C 0.167 175.110 174.900 0.071 0.000 1.012 804 G CA -0.179 44.973 45.100 0.086 0.000 0.618 804 G HN 0.722 nan 8.290 nan 0.000 0.521 805 Y N 0.314 120.619 120.300 0.007 0.000 2.385 805 Y HA 0.553 5.100 4.550 -0.004 0.000 0.346 805 Y C 1.337 177.250 175.900 0.021 0.000 1.270 805 Y CA -0.327 57.773 58.100 -0.001 0.000 1.472 805 Y CB 0.475 38.925 38.460 -0.017 0.000 1.354 805 Y HN 0.127 nan 8.280 nan 0.000 0.611 806 L N 3.060 124.368 121.223 0.142 0.000 2.317 806 L HA 0.404 4.741 4.340 -0.006 0.000 0.281 806 L C -0.742 176.182 176.870 0.089 0.000 1.024 806 L CA -0.595 54.296 54.840 0.085 0.000 0.810 806 L CB 1.330 43.359 42.059 -0.050 0.000 1.240 806 L HN 0.472 nan 8.230 nan 0.000 0.427 807 I N 3.442 124.076 120.570 0.105 0.000 2.291 807 I HA 0.069 4.236 4.170 -0.006 0.000 0.292 807 I C 1.099 177.259 176.117 0.072 0.000 1.064 807 I CA -0.303 61.025 61.300 0.046 0.000 1.269 807 I CB 1.023 38.998 38.000 -0.042 0.000 1.418 807 I HN 0.700 nan 8.210 nan 0.000 0.485 808 E N 4.685 124.906 120.200 0.035 0.000 2.015 808 E HA -0.113 4.233 4.350 -0.006 0.000 0.191 808 E C -0.128 176.500 176.600 0.047 0.000 0.991 808 E CA 1.306 57.740 56.400 0.057 0.000 0.802 808 E CB 0.017 29.721 29.700 0.007 0.000 0.759 808 E HN 0.852 nan 8.360 nan 0.000 0.447 809 D N -1.897 118.497 120.400 -0.009 0.000 2.671 809 D HA 0.444 5.081 4.640 -0.006 0.000 0.273 809 D C -0.903 175.354 176.300 -0.072 0.000 1.264 809 D CA -0.615 53.362 54.000 -0.037 0.000 0.788 809 D CB 0.926 41.711 40.800 -0.025 0.000 1.324 809 D HN -0.110 nan 8.370 nan 0.000 0.424 810 I N 0.361 120.879 120.570 -0.086 0.000 2.478 810 I HA 0.320 4.487 4.170 -0.006 0.000 0.287 810 I C -0.803 175.270 176.117 -0.074 0.000 1.042 810 I CA -0.651 60.592 61.300 -0.095 0.000 1.067 810 I CB 1.771 39.692 38.000 -0.132 0.000 1.233 810 I HN 0.708 nan 8.210 nan 0.000 0.431 811 D N 5.343 125.706 120.400 -0.061 0.000 2.689 811 D HA -0.191 4.446 4.640 -0.006 0.000 0.237 811 D C 1.126 177.402 176.300 -0.041 0.000 1.148 811 D CA 1.599 55.571 54.000 -0.047 0.000 0.656 811 D CB -0.684 40.090 40.800 -0.044 0.000 1.050 811 D HN 1.114 nan 8.370 nan 0.000 0.426 812 G N 0.169 108.946 108.800 -0.039 0.000 2.245 812 G HA2 -0.385 3.572 3.960 -0.006 0.000 0.264 812 G HA3 -0.385 3.572 3.960 -0.006 0.000 0.264 812 G C 0.165 175.045 174.900 -0.033 0.000 0.985 812 G CA 0.677 45.758 45.100 -0.032 0.000 0.625 812 G HN 0.789 nan 8.290 nan 0.000 0.536 813 E N 1.255 121.430 120.200 -0.042 0.000 2.146 813 E HA 0.525 4.872 4.350 -0.006 0.000 0.282 813 E C 0.091 176.664 176.600 -0.046 0.000 0.989 813 E CA -0.324 56.049 56.400 -0.045 0.000 0.799 813 E CB 0.481 30.148 29.700 -0.055 0.000 1.088 813 E HN 0.075 nan 8.360 nan 0.000 0.397 814 T N 3.581 118.115 114.554 -0.033 0.000 2.888 814 T HA 0.209 4.555 4.350 -0.006 0.000 0.301 814 T C -0.206 174.475 174.700 -0.032 0.000 1.001 814 T CA -0.252 61.836 62.100 -0.021 0.000 1.147 814 T CB 0.473 69.331 68.868 -0.015 0.000 0.931 814 T HN 0.394 nan 8.240 nan 0.000 0.541 815 V N 0.913 120.820 119.914 -0.012 0.000 2.864 815 V HA 1.081 5.198 4.120 -0.006 0.000 0.314 815 V C 0.370 176.512 176.094 0.079 0.000 1.073 815 V CA -0.154 62.154 62.300 0.013 0.000 0.956 815 V CB 1.414 33.203 31.823 -0.057 0.000 1.023 815 V HN 1.147 nan 8.190 nan 0.000 0.435 816 G N 1.233 110.090 108.800 0.095 0.000 2.373 816 G HA2 0.511 4.467 3.960 -0.006 0.000 0.250 816 G HA3 0.511 4.467 3.960 -0.006 0.000 0.250 816 G C 0.646 175.360 174.900 -0.310 0.000 1.304 816 G CA -0.011 44.968 45.100 -0.201 0.000 0.948 816 G HN 1.693 nan 8.290 nan 0.000 0.474 817 A N -0.638 121.969 122.820 -0.355 0.000 1.929 817 A HA 0.118 4.434 4.320 -0.006 0.000 0.221 817 A C 2.302 179.788 177.584 -0.163 0.000 1.211 817 A CA 3.313 55.194 52.037 -0.259 0.000 0.657 817 A CB -0.955 17.914 19.000 -0.218 0.000 0.827 817 A HN 2.225 nan 8.150 nan 0.000 0.462 818 G N -2.152 106.569 108.800 -0.131 0.000 3.605 818 G HA2 0.431 4.388 3.960 -0.006 0.000 0.277 818 G HA3 0.431 4.388 3.960 -0.006 0.000 0.277 818 G C 0.003 174.865 174.900 -0.063 0.000 1.093 818 G CA 0.827 45.875 45.100 -0.085 0.000 0.821 818 G HN 0.486 nan 8.290 nan 0.000 0.532 819 S N 0.498 116.170 115.700 -0.046 0.000 2.680 819 S HA 0.210 4.676 4.470 -0.006 0.000 0.262 819 S C -0.824 173.794 174.600 0.030 0.000 1.138 819 S CA -0.802 57.382 58.200 -0.027 0.000 1.072 819 S CB 0.513 63.689 63.200 -0.041 0.000 1.097 819 S HN 0.222 nan 8.310 nan 0.000 0.468 820 N N 4.621 123.307 118.700 -0.023 0.000 2.394 820 N HA -0.003 4.734 4.740 -0.006 0.000 0.277 820 N C 1.161 176.536 175.510 -0.224 0.000 1.346 820 N CA 0.282 53.307 53.050 -0.042 0.000 0.910 820 N CB 0.131 38.546 38.487 -0.120 0.000 1.201 820 N HN 0.824 nan 8.380 nan 0.000 0.488 821 I N 4.562 124.870 120.570 -0.437 0.000 2.394 821 I HA -0.275 3.892 4.170 -0.006 0.000 0.251 821 I C 0.823 176.527 176.117 -0.688 0.000 1.136 821 I CA 1.064 61.898 61.300 -0.778 0.000 1.425 821 I CB 0.030 37.115 38.000 -1.524 0.000 1.079 821 I HN 0.505 nan 8.210 nan 0.000 0.425 822 Y N 0.755 120.867 120.300 -0.313 0.000 2.165 822 Y HA -0.281 4.265 4.550 -0.006 0.000 0.286 822 Y C 2.732 178.398 175.900 -0.390 0.000 1.155 822 Y CA 1.871 59.849 58.100 -0.202 0.000 1.164 822 Y CB -0.845 37.581 38.460 -0.058 0.000 0.978 822 Y HN 0.164 nan 8.280 nan 0.000 0.513 823 R N 0.248 120.369 120.500 -0.632 0.000 2.066 823 R HA -0.116 4.220 4.340 -0.006 0.000 0.232 823 R C 2.031 178.102 176.300 -0.382 0.000 1.131 823 R CA 1.629 57.151 56.100 -0.963 0.000 0.955 823 R CB -0.558 29.052 30.300 -1.151 0.000 0.851 823 R HN 0.190 nan 8.270 nan 0.000 0.432 824 V N 1.683 121.413 119.914 -0.307 0.000 2.287 824 V HA -0.280 3.837 4.120 -0.006 0.000 0.248 824 V C 2.450 178.453 176.094 -0.152 0.000 1.053 824 V CA 1.905 64.085 62.300 -0.201 0.000 1.027 824 V CB -0.491 31.207 31.823 -0.208 0.000 0.646 824 V HN 0.346 nan 8.190 nan 0.000 0.447 825 L N -0.163 120.957 121.223 -0.172 0.000 2.046 825 L HA -0.192 4.144 4.340 -0.006 0.000 0.208 825 L C 2.750 179.609 176.870 -0.019 0.000 1.077 825 L CA 1.795 56.581 54.840 -0.090 0.000 0.747 825 L CB -0.716 41.301 42.059 -0.071 0.000 0.896 825 L HN 0.375 nan 8.230 nan 0.000 0.432 826 S N 0.074 115.771 115.700 -0.004 0.000 2.372 826 S HA -0.260 4.207 4.470 -0.006 0.000 0.227 826 S C 1.696 176.337 174.600 0.069 0.000 1.044 826 S CA 1.878 60.131 58.200 0.087 0.000 1.050 826 S CB -0.174 63.145 63.200 0.198 0.000 0.901 826 S HN 0.494 nan 8.310 nan 0.000 0.447 827 E N -0.212 120.003 120.200 0.025 0.000 2.511 827 E HA 0.049 4.395 4.350 -0.006 0.000 0.196 827 E C 1.500 178.106 176.600 0.010 0.000 1.066 827 E CA 0.404 56.818 56.400 0.023 0.000 0.871 827 E CB 0.230 29.933 29.700 0.004 0.000 0.863 827 E HN 0.347 nan 8.360 nan 0.000 0.520 828 K N -0.035 120.367 120.400 0.003 0.000 2.373 828 K HA 0.248 4.565 4.320 -0.006 0.000 0.200 828 K C 0.407 177.016 176.600 0.014 0.000 1.054 828 K CA -0.039 56.248 56.287 -0.000 0.000 1.065 828 K CB 0.854 33.343 32.500 -0.019 0.000 0.886 828 K HN -0.010 nan 8.250 nan 0.000 0.546 829 A N 1.086 123.923 122.820 0.028 0.000 2.584 829 A HA 0.323 4.639 4.320 -0.006 0.000 0.239 829 A C 1.256 178.859 177.584 0.032 0.000 1.043 829 A CA 1.391 53.450 52.037 0.037 0.000 0.756 829 A CB -0.510 18.522 19.000 0.054 0.000 0.963 829 A HN 0.579 nan 8.150 nan 0.000 0.511 830 G N 1.339 110.157 108.800 0.031 0.000 2.157 830 G HA2 -0.040 3.916 3.960 -0.006 0.000 0.248 830 G HA3 -0.040 3.916 3.960 -0.006 0.000 0.248 830 G C 0.481 175.395 174.900 0.023 0.000 0.979 830 G CA 1.017 46.133 45.100 0.027 0.000 0.650 830 G HN 2.576 nan 8.290 nan 0.000 0.529 831 T N -3.006 111.562 114.554 0.022 0.000 2.696 831 T HA 0.759 5.106 4.350 -0.006 0.000 0.291 831 T C -0.374 174.338 174.700 0.020 0.000 1.095 831 T CA 0.268 62.379 62.100 0.019 0.000 1.026 831 T CB 1.976 70.852 68.868 0.012 0.000 1.390 831 T HN 0.607 nan 8.240 nan 0.000 0.513 832 S N 0.196 115.908 115.700 0.019 0.000 2.475 832 S HA 0.809 5.276 4.470 -0.006 0.000 0.298 832 S C -0.341 174.262 174.600 0.004 0.000 1.119 832 S CA -0.639 57.573 58.200 0.020 0.000 1.085 832 S CB 0.983 64.204 63.200 0.035 0.000 1.028 832 S HN 1.086 nan 8.310 nan 0.000 0.489 833 A N 2.530 125.345 122.820 -0.009 0.000 2.380 833 A HA 0.727 5.044 4.320 -0.006 0.000 0.315 833 A C -0.307 177.250 177.584 -0.045 0.000 1.101 833 A CA -0.908 51.112 52.037 -0.027 0.000 0.771 833 A CB 0.949 19.927 19.000 -0.037 0.000 1.287 833 A HN 0.811 nan 8.150 nan 0.000 0.436 834 R N 2.125 122.594 120.500 -0.051 0.000 2.248 834 R HA 0.398 4.735 4.340 -0.006 0.000 0.328 834 R C -0.997 175.253 176.300 -0.083 0.000 1.067 834 R CA -0.145 55.914 56.100 -0.069 0.000 0.924 834 R CB 0.063 30.330 30.300 -0.055 0.000 1.013 834 R HN 0.552 nan 8.270 nan 0.000 0.454 835 I N 4.360 124.864 120.570 -0.110 0.000 2.377 835 I HA 0.321 4.488 4.170 -0.006 0.000 0.293 835 I C 0.024 176.076 176.117 -0.107 0.000 0.987 835 I CA -0.961 60.273 61.300 -0.109 0.000 1.185 835 I CB 1.433 39.360 38.000 -0.122 0.000 1.341 835 I HN 0.577 nan 8.210 nan 0.000 0.455 836 R N 6.271 126.725 120.500 -0.078 0.000 2.255 836 R HA 0.691 5.027 4.340 -0.006 0.000 0.326 836 R C -1.467 174.811 176.300 -0.037 0.000 0.986 836 R CA -0.175 55.890 56.100 -0.057 0.000 0.847 836 R CB 0.618 30.895 30.300 -0.038 0.000 1.111 836 R HN 0.612 nan 8.270 nan 0.000 0.452 837 L N 2.139 123.350 121.223 -0.021 0.000 2.319 837 L HA 0.623 4.959 4.340 -0.006 0.000 0.267 837 L C -0.465 176.480 176.870 0.126 0.000 1.011 837 L CA -0.895 53.977 54.840 0.052 0.000 0.818 837 L CB 2.568 44.632 42.059 0.008 0.000 1.316 837 L HN 0.616 nan 8.230 nan 0.000 0.432 838 S N -0.051 115.751 115.700 0.170 0.000 2.614 838 S HA 0.729 5.196 4.470 -0.006 0.000 0.288 838 S C -0.013 174.547 174.600 -0.067 0.000 1.137 838 S CA -0.549 57.689 58.200 0.063 0.000 0.992 838 S CB 1.941 65.112 63.200 -0.049 0.000 1.026 838 S HN 0.841 nan 8.310 nan 0.000 0.486 839 G N 1.445 110.069 108.800 -0.292 0.000 3.135 839 G HA2 0.554 4.511 3.960 -0.006 0.000 0.159 839 G HA3 0.554 4.511 3.960 -0.006 0.000 0.159 839 G C -0.570 174.095 174.900 -0.392 0.000 1.244 839 G CA -0.724 43.902 45.100 -0.789 0.000 0.965 839 G HN 0.535 nan 8.290 nan 0.000 0.599 840 K N 0.908 121.087 120.400 -0.368 0.000 2.437 840 K HA 0.433 4.749 4.320 -0.006 0.000 0.277 840 K C 0.939 177.463 176.600 -0.127 0.000 1.073 840 K CA 1.359 57.531 56.287 -0.191 0.000 1.105 840 K CB -0.471 31.942 32.500 -0.145 0.000 0.881 840 K HN 1.583 nan 8.250 nan 0.000 0.475 841 G N 3.619 112.360 108.800 -0.098 0.000 2.569 841 G HA2 -0.293 3.663 3.960 -0.006 0.000 0.259 841 G HA3 -0.293 3.663 3.960 -0.006 0.000 0.259 841 G C 0.652 175.514 174.900 -0.062 0.000 1.263 841 G CA -0.161 44.899 45.100 -0.067 0.000 0.928 841 G HN 1.087 nan 8.290 nan 0.000 0.572 842 G N -0.093 108.683 108.800 -0.041 0.000 3.262 842 G HA2 0.327 4.283 3.960 -0.006 0.000 0.222 842 G HA3 0.327 4.283 3.960 -0.006 0.000 0.222 842 G C 0.358 175.246 174.900 -0.021 0.000 1.269 842 G CA 1.034 46.116 45.100 -0.030 0.000 1.032 842 G HN 0.750 nan 8.290 nan 0.000 0.502 843 D N 1.198 121.579 120.400 -0.031 0.000 2.455 843 D HA 0.151 4.787 4.640 -0.006 0.000 0.234 843 D C 0.250 176.576 176.300 0.044 0.000 1.224 843 D CA 0.181 54.183 54.000 0.004 0.000 0.999 843 D CB 0.049 40.834 40.800 -0.026 0.000 1.072 843 D HN 0.217 nan 8.370 nan 0.000 0.514 844 K N 3.717 124.142 120.400 0.041 0.000 2.244 844 K HA 0.519 4.836 4.320 -0.006 0.000 0.260 844 K C -0.019 176.604 176.600 0.039 0.000 0.951 844 K CA -1.007 55.305 56.287 0.042 0.000 0.826 844 K CB 2.074 34.578 32.500 0.008 0.000 1.108 844 K HN 0.070 nan 8.250 nan 0.000 0.433 845 R N 1.564 122.083 120.500 0.032 0.000 2.740 845 R HA 0.328 4.665 4.340 -0.006 0.000 0.282 845 R C -1.042 175.216 176.300 -0.071 0.000 0.969 845 R CA -0.866 55.218 56.100 -0.028 0.000 0.918 845 R CB 1.368 31.628 30.300 -0.068 0.000 1.175 845 R HN 0.636 nan 8.270 nan 0.000 0.464 846 D N 3.037 123.377 120.400 -0.099 0.000 2.389 846 D HA 0.342 4.979 4.640 -0.006 0.000 0.256 846 D C -0.990 175.198 176.300 -0.187 0.000 1.239 846 D CA -0.328 53.603 54.000 -0.114 0.000 0.925 846 D CB 0.399 41.158 40.800 -0.068 0.000 1.145 846 D HN 0.376 nan 8.370 nan 0.000 0.542 847 L N 1.160 122.214 121.223 -0.281 0.000 2.341 847 L HA 0.593 4.930 4.340 -0.006 0.000 0.267 847 L C 0.278 176.951 176.870 -0.328 0.000 1.009 847 L CA -1.063 53.486 54.840 -0.486 0.000 0.819 847 L CB 2.056 43.561 42.059 -0.923 0.000 1.323 847 L HN 0.083 nan 8.230 nan 0.000 0.425 848 M N 3.494 122.940 119.600 -0.257 0.000 2.094 848 M HA 0.384 4.861 4.480 -0.006 0.000 0.348 848 M C -0.687 175.609 176.300 -0.007 0.000 1.267 848 M CA -0.326 54.936 55.300 -0.063 0.000 1.125 848 M CB 0.627 33.252 32.600 0.041 0.000 1.527 848 M HN 0.323 nan 8.290 nan 0.000 0.447 849 I N 3.005 123.555 120.570 -0.033 0.000 2.359 849 I HA 0.229 4.395 4.170 -0.006 0.000 0.294 849 I C 0.206 176.353 176.117 0.050 0.000 0.987 849 I CA -0.689 60.627 61.300 0.026 0.000 1.225 849 I CB 1.232 39.217 38.000 -0.025 0.000 1.366 849 I HN 0.430 nan 8.210 nan 0.000 0.466 850 D N 6.551 127.001 120.400 0.083 0.000 2.383 850 D HA 0.260 4.896 4.640 -0.006 0.000 0.252 850 D C 0.228 176.560 176.300 0.053 0.000 1.166 850 D CA 0.257 54.296 54.000 0.065 0.000 0.879 850 D CB 1.293 42.136 40.800 0.072 0.000 1.164 850 D HN 0.256 nan 8.370 nan 0.000 0.462 851 I N 3.762 124.356 120.570 0.040 0.000 2.306 851 I HA 0.135 4.302 4.170 -0.006 0.000 0.288 851 I C 0.506 176.650 176.117 0.044 0.000 1.036 851 I CA -0.622 60.702 61.300 0.040 0.000 1.221 851 I CB 0.603 38.617 38.000 0.024 0.000 1.385 851 I HN 0.104 nan 8.210 nan 0.000 0.472 852 L N 5.609 126.862 121.223 0.050 0.000 2.473 852 L HA 0.090 4.426 4.340 -0.006 0.000 0.268 852 L C 0.766 177.663 176.870 0.045 0.000 1.215 852 L CA 0.039 54.907 54.840 0.046 0.000 0.823 852 L CB 0.381 42.468 42.059 0.046 0.000 1.099 852 L HN 0.556 nan 8.230 nan 0.000 0.483 853 D N -0.853 119.571 120.400 0.040 0.000 2.305 853 D HA 0.007 4.644 4.640 -0.006 0.000 0.206 853 D C -0.162 176.160 176.300 0.037 0.000 0.974 853 D CA 0.724 54.750 54.000 0.042 0.000 0.871 853 D CB 0.276 41.098 40.800 0.037 0.000 0.947 853 D HN 0.526 nan 8.370 nan 0.000 0.516 854 D N -1.026 119.390 120.400 0.026 0.000 2.599 854 D HA 0.243 4.879 4.640 -0.006 0.000 0.252 854 D C -1.482 174.818 176.300 0.001 0.000 1.232 854 D CA -0.724 53.280 54.000 0.007 0.000 0.819 854 D CB 1.473 42.275 40.800 0.004 0.000 1.401 854 D HN -0.115 nan 8.370 nan 0.000 0.429 855 D N 0.698 121.076 120.400 -0.038 0.000 2.704 855 D HA 0.044 4.680 4.640 -0.006 0.000 0.291 855 D C 1.147 177.376 176.300 -0.119 0.000 1.610 855 D CA -0.275 53.692 54.000 -0.055 0.000 0.807 855 D CB -0.112 40.644 40.800 -0.073 0.000 1.233 855 D HN 0.280 nan 8.370 nan 0.000 0.445 856 R N 0.208 120.644 120.500 -0.106 0.000 2.083 856 R HA -0.067 4.270 4.340 -0.006 0.000 0.237 856 R C 1.624 177.859 176.300 -0.107 0.000 1.137 856 R CA 1.496 57.500 56.100 -0.160 0.000 0.951 856 R CB -0.981 29.236 30.300 -0.138 0.000 0.851 856 R HN 0.158 nan 8.270 nan 0.000 0.434 857 F N 0.734 120.613 119.950 -0.118 0.000 2.126 857 F HA -0.095 4.426 4.527 -0.009 0.000 0.299 857 F C 1.790 177.579 175.800 -0.018 0.000 1.096 857 F CA 1.584 59.558 58.000 -0.043 0.000 1.255 857 F CB -0.221 38.759 39.000 -0.033 0.000 0.997 857 F HN 0.044 nan 8.300 nan 0.000 0.479 858 I N -0.092 120.386 120.570 -0.153 0.000 2.226 858 I HA -0.310 3.857 4.170 -0.006 0.000 0.245 858 I C 2.519 178.483 176.117 -0.256 0.000 1.100 858 I CA 1.398 62.574 61.300 -0.205 0.000 1.374 858 I CB -0.547 37.413 38.000 -0.068 0.000 1.057 858 I HN 0.063 nan 8.210 nan 0.000 0.413 859 R N -0.214 120.095 120.500 -0.319 0.000 2.081 859 R HA -0.229 4.107 4.340 -0.006 0.000 0.235 859 R C 2.416 178.548 176.300 -0.280 0.000 1.131 859 R CA 1.870 57.725 56.100 -0.408 0.000 0.960 859 R CB -0.667 29.281 30.300 -0.586 0.000 0.856 859 R HN 0.320 nan 8.270 nan 0.000 0.436 860 Y N 1.739 121.762 120.300 -0.461 0.000 2.070 860 Y HA -0.259 4.287 4.550 -0.007 0.000 0.280 860 Y C 2.196 177.936 175.900 -0.267 0.000 1.148 860 Y CA 1.576 59.381 58.100 -0.491 0.000 1.125 860 Y CB -0.084 38.056 38.460 -0.533 0.000 0.975 860 Y HN -0.144 nan 8.280 nan 0.000 0.492 861 R N -0.184 119.936 120.500 -0.634 0.000 2.120 861 R HA -0.144 4.193 4.340 -0.006 0.000 0.234 861 R C 2.660 178.752 176.300 -0.346 0.000 1.123 861 R CA 1.178 56.928 56.100 -0.584 0.000 0.975 861 R CB -1.201 28.753 30.300 -0.576 0.000 0.866 861 R HN 0.406 nan 8.270 nan 0.000 0.446 862 S N 0.185 115.745 115.700 -0.234 0.000 2.356 862 S HA -0.187 4.280 4.470 -0.006 0.000 0.223 862 S C 1.677 176.237 174.600 -0.067 0.000 1.032 862 S CA 1.280 59.416 58.200 -0.107 0.000 1.005 862 S CB -0.303 62.950 63.200 0.090 0.000 0.867 862 S HN 0.545 nan 8.310 nan 0.000 0.449 863 W N 1.896 123.046 121.300 -0.250 0.000 2.333 863 W HA -0.167 4.488 4.660 -0.007 0.000 0.316 863 W C 2.009 178.383 176.519 -0.243 0.000 1.215 863 W CA 1.932 59.142 57.345 -0.226 0.000 1.278 863 W CB -0.798 28.506 29.460 -0.261 0.000 1.154 863 W HN 0.119 nan 8.180 nan 0.000 0.486 864 V N 1.206 121.038 119.914 -0.138 0.000 2.287 864 V HA -0.315 3.801 4.120 -0.006 0.000 0.248 864 V C 2.366 178.322 176.094 -0.230 0.000 1.053 864 V CA 2.372 64.548 62.300 -0.205 0.000 1.027 864 V CB -1.016 30.696 31.823 -0.186 0.000 0.646 864 V HN 0.157 nan 8.190 nan 0.000 0.447 865 E N 0.199 120.271 120.200 -0.215 0.000 2.204 865 E HA -0.118 4.228 4.350 -0.006 0.000 0.194 865 E C 2.268 178.726 176.600 -0.235 0.000 0.989 865 E CA 1.299 57.582 56.400 -0.194 0.000 0.824 865 E CB -0.401 29.192 29.700 -0.177 0.000 0.756 865 E HN 0.609 nan 8.360 nan 0.000 0.477 866 A N 1.625 124.281 122.820 -0.274 0.000 1.854 866 A HA -0.163 4.154 4.320 -0.006 0.000 0.214 866 A C 1.984 179.340 177.584 -0.380 0.000 1.192 866 A CA 1.479 53.351 52.037 -0.275 0.000 0.611 866 A CB -0.754 18.090 19.000 -0.259 0.000 0.832 866 A HN 0.257 nan 8.150 nan 0.000 0.442 867 N N -1.040 117.290 118.700 -0.617 0.000 2.166 867 N HA -0.160 4.576 4.740 -0.006 0.000 0.186 867 N C 2.063 177.075 175.510 -0.829 0.000 1.019 867 N CA 1.016 53.575 53.050 -0.819 0.000 0.856 867 N CB -0.142 37.575 38.487 -1.282 0.000 0.993 867 N HN 0.475 nan 8.380 nan 0.000 0.426 868 R N 1.585 121.683 120.500 -0.669 0.000 2.075 868 R HA -0.017 4.320 4.340 -0.006 0.000 0.232 868 R C 1.999 177.937 176.300 -0.603 0.000 1.126 868 R CA 1.100 56.866 56.100 -0.557 0.000 0.963 868 R CB 0.048 30.198 30.300 -0.251 0.000 0.858 868 R HN 0.197 nan 8.270 nan 0.000 0.435 869 R N -0.843 119.445 120.500 -0.352 0.000 2.096 869 R HA -0.183 4.153 4.340 -0.006 0.000 0.235 869 R C 2.190 178.390 176.300 -0.167 0.000 1.127 869 R CA 1.680 57.656 56.100 -0.207 0.000 0.968 869 R CB -0.468 29.772 30.300 -0.100 0.000 0.861 869 R HN 0.293 nan 8.270 nan 0.000 0.440 870 Y N 1.136 121.253 120.300 -0.306 0.000 2.097 870 Y HA -0.254 4.292 4.550 -0.007 0.000 0.282 870 Y C 2.131 177.889 175.900 -0.237 0.000 1.152 870 Y CA 1.456 59.404 58.100 -0.253 0.000 1.136 870 Y CB -0.359 37.922 38.460 -0.298 0.000 0.975 870 Y HN -0.240 nan 8.280 nan 0.000 0.498 871 V N 0.137 119.870 119.914 -0.301 0.000 2.343 871 V HA -0.341 3.776 4.120 -0.006 0.000 0.247 871 V C 2.349 178.317 176.094 -0.210 0.000 1.051 871 V CA 2.321 64.447 62.300 -0.291 0.000 1.036 871 V CB -0.822 30.849 31.823 -0.254 0.000 0.654 871 V HN 0.493 nan 8.190 nan 0.000 0.451 872 H N 0.247 119.172 119.070 -0.242 0.000 2.387 872 H HA -0.108 4.444 4.556 -0.007 0.000 0.299 872 H C 2.367 177.584 175.328 -0.185 0.000 1.090 872 H CA 1.704 57.624 56.048 -0.214 0.000 1.332 872 H CB -0.164 29.506 29.762 -0.154 0.000 1.386 872 H HN 0.556 nan 8.280 nan 0.000 0.516 873 E N 0.093 120.237 120.200 -0.094 0.000 2.112 873 E HA -0.028 4.319 4.350 -0.006 0.000 0.190 873 E C 2.324 178.799 176.600 -0.207 0.000 0.979 873 E CA 0.148 56.465 56.400 -0.137 0.000 0.814 873 E CB 0.218 29.831 29.700 -0.145 0.000 0.762 873 E HN 0.192 nan 8.360 nan 0.000 0.460 874 R N 0.497 120.786 120.500 -0.353 0.000 2.148 874 R HA -0.038 4.298 4.340 -0.006 0.000 0.223 874 R C 1.870 178.051 176.300 -0.199 0.000 1.088 874 R CA 1.405 57.298 56.100 -0.345 0.000 0.985 874 R CB 0.103 30.061 30.300 -0.570 0.000 0.880 874 R HN 0.148 nan 8.270 nan 0.000 0.451 875 S N -0.084 115.521 115.700 -0.158 0.000 2.556 875 S HA 0.111 4.578 4.470 -0.006 0.000 0.216 875 S C 0.199 174.762 174.600 -0.062 0.000 0.970 875 S CA -0.263 57.882 58.200 -0.093 0.000 0.912 875 S CB 0.410 63.566 63.200 -0.073 0.000 0.790 875 S HN 0.087 nan 8.310 nan 0.000 0.504 876 K N 0.713 121.070 120.400 -0.071 0.000 3.117 876 K HA -0.166 4.150 4.320 -0.006 0.000 0.269 876 K C 0.876 177.462 176.600 -0.022 0.000 1.098 876 K CA 0.685 56.945 56.287 -0.045 0.000 0.785 876 K CB -2.485 29.993 32.500 -0.036 0.000 1.242 876 K HN 1.280 nan 8.250 nan 0.000 0.491 877 G N -0.670 108.115 108.800 -0.025 0.000 2.143 877 G HA2 -0.383 3.573 3.960 -0.006 0.000 0.248 877 G HA3 -0.383 3.573 3.960 -0.006 0.000 0.248 877 G C 0.629 175.581 174.900 0.086 0.000 0.991 877 G CA 1.608 46.706 45.100 -0.003 0.000 0.689 877 G HN 0.780 nan 8.290 nan 0.000 0.522 878 T N -2.275 112.307 114.554 0.047 0.000 3.040 878 T HA 0.631 4.977 4.350 -0.006 0.000 0.250 878 T C 0.778 175.544 174.700 0.110 0.000 1.058 878 T CA 0.424 62.592 62.100 0.113 0.000 0.988 878 T CB 0.403 69.303 68.868 0.053 0.000 0.993 878 T HN 0.512 nan 8.240 nan 0.000 0.519 879 I N 1.308 121.843 120.570 -0.058 0.000 2.545 879 I HA 0.626 4.793 4.170 -0.006 0.000 0.292 879 I C 0.590 176.483 176.117 -0.374 0.000 1.040 879 I CA -1.447 59.793 61.300 -0.101 0.000 1.068 879 I CB 2.202 40.182 38.000 -0.033 0.000 1.251 879 I HN 0.202 nan 8.210 nan 0.000 0.424 880 G N 3.696 112.331 108.800 -0.275 0.000 2.522 880 G HA2 0.509 4.465 3.960 -0.006 0.000 0.304 880 G HA3 0.509 4.465 3.960 -0.006 0.000 0.304 880 G C -1.934 173.001 174.900 0.058 0.000 1.210 880 G CA -0.191 44.773 45.100 -0.226 0.000 0.960 880 G HN 0.544 nan 8.290 nan 0.000 0.497 881 Y N -0.592 119.669 120.300 -0.066 0.000 2.479 881 Y HA 0.654 5.200 4.550 -0.007 0.000 0.338 881 Y C -1.073 174.832 175.900 0.009 0.000 1.055 881 Y CA -1.048 57.023 58.100 -0.048 0.000 1.023 881 Y CB 1.625 39.995 38.460 -0.151 0.000 1.287 881 Y HN 0.453 nan 8.280 nan 0.000 0.447 882 I N 5.887 126.074 120.570 -0.639 0.000 2.722 882 I HA 0.304 4.471 4.170 -0.006 0.000 0.295 882 I C -1.420 174.367 176.117 -0.550 0.000 1.161 882 I CA -0.839 60.220 61.300 -0.401 0.000 1.032 882 I CB 2.422 40.360 38.000 -0.103 0.000 1.244 882 I HN 0.656 nan 8.210 nan 0.000 0.421 883 H N 6.464 125.380 119.070 -0.256 0.000 2.572 883 H HA 0.599 5.151 4.556 -0.007 0.000 0.359 883 H C -1.589 173.846 175.328 0.178 0.000 1.134 883 H CA -0.633 55.420 56.048 0.008 0.000 1.187 883 H CB 2.357 32.310 29.762 0.318 0.000 1.597 883 H HN 0.463 nan 8.280 nan 0.000 0.524 884 I N 7.708 127.837 120.570 -0.735 0.000 2.437 884 I HA 0.181 4.348 4.170 -0.006 0.000 0.279 884 I C -1.705 174.201 176.117 -0.351 0.000 1.028 884 I CA -2.035 59.050 61.300 -0.358 0.000 1.142 884 I CB 2.240 40.022 38.000 -0.364 0.000 1.266 884 I HN 0.444 nan 8.210 nan 0.000 0.461 885 P HA -0.103 nan 4.420 nan 0.000 0.217 885 P C -0.251 177.094 177.300 0.076 0.000 1.150 885 P CA 1.531 64.770 63.100 0.232 0.000 0.832 885 P CB 0.188 31.907 31.700 0.032 0.000 0.787 886 D N -2.929 117.475 120.400 0.006 0.000 2.768 886 D HA 0.183 4.820 4.640 -0.006 0.000 0.327 886 D C -0.131 176.126 176.300 -0.073 0.000 1.302 886 D CA -0.609 53.389 54.000 -0.002 0.000 0.897 886 D CB -0.200 40.648 40.800 0.080 0.000 1.420 886 D HN -0.325 nan 8.370 nan 0.000 0.494 887 M N 0.654 120.210 119.600 -0.074 0.000 2.771 887 M HA 0.466 4.942 4.480 -0.006 0.000 0.341 887 M C 0.464 176.599 176.300 -0.275 0.000 1.226 887 M CA -0.290 54.896 55.300 -0.191 0.000 0.955 887 M CB 0.069 32.571 32.600 -0.163 0.000 1.318 887 M HN 0.600 nan 8.290 nan 0.000 0.514 888 G N -0.084 108.607 108.800 -0.182 0.000 3.039 888 G HA2 0.482 4.438 3.960 -0.006 0.000 0.159 888 G HA3 0.482 4.438 3.960 -0.006 0.000 0.159 888 G C 0.862 175.480 174.900 -0.470 0.000 1.284 888 G CA -0.290 44.578 45.100 -0.387 0.000 0.996 888 G HN 0.103 nan 8.290 nan 0.000 0.592 889 M N -0.212 118.963 119.600 -0.709 0.000 2.132 889 M HA 0.027 4.504 4.480 -0.006 0.000 0.263 889 M C 2.489 178.848 176.300 0.099 0.000 1.065 889 M CA 1.268 56.404 55.300 -0.272 0.000 1.122 889 M CB -1.236 31.198 32.600 -0.276 0.000 1.365 889 M HN 0.625 nan 8.290 nan 0.000 0.411 890 M N 0.314 120.080 119.600 0.276 0.000 2.149 890 M HA -0.117 4.359 4.480 -0.006 0.000 0.261 890 M C 1.929 178.331 176.300 0.169 0.000 1.064 890 M CA 2.175 57.636 55.300 0.268 0.000 1.102 890 M CB -0.563 32.073 32.600 0.060 0.000 1.369 890 M HN 0.257 nan 8.290 nan 0.000 0.408 891 G N 0.343 109.187 108.800 0.074 0.000 2.422 891 G HA2 -0.168 3.789 3.960 -0.006 0.000 0.218 891 G HA3 -0.168 3.789 3.960 -0.006 0.000 0.218 891 G C 1.289 176.215 174.900 0.043 0.000 1.140 891 G CA 0.618 45.732 45.100 0.024 0.000 0.775 891 G HN 0.405 nan 8.290 nan 0.000 0.545 892 L N 1.038 122.276 121.223 0.025 0.000 2.093 892 L HA 0.040 4.376 4.340 -0.006 0.000 0.208 892 L C 2.445 179.471 176.870 0.259 0.000 1.085 892 L CA 1.210 56.111 54.840 0.103 0.000 0.755 892 L CB -0.583 41.519 42.059 0.071 0.000 0.904 892 L HN 0.099 nan 8.230 nan 0.000 0.435 893 N N -0.482 118.356 118.700 0.229 0.000 2.058 893 N HA -0.158 4.578 4.740 -0.006 0.000 0.191 893 N C 1.705 177.363 175.510 0.247 0.000 1.037 893 N CA 1.237 54.433 53.050 0.244 0.000 0.848 893 N CB -0.139 38.478 38.487 0.218 0.000 1.021 893 N HN 0.294 nan 8.380 nan 0.000 0.422 894 E N 0.522 120.874 120.200 0.253 0.000 2.047 894 E HA -0.120 4.227 4.350 -0.006 0.000 0.191 894 E C 1.882 178.582 176.600 0.165 0.000 0.987 894 E CA 0.377 56.935 56.400 0.262 0.000 0.799 894 E CB -0.769 29.153 29.700 0.370 0.000 0.752 894 E HN 0.387 nan 8.360 nan 0.000 0.449 895 F N 0.705 120.655 119.950 -0.001 0.000 2.065 895 F HA -0.308 4.217 4.527 -0.004 0.000 0.298 895 F C 2.190 177.949 175.800 -0.068 0.000 1.112 895 F CA 1.706 59.622 58.000 -0.139 0.000 1.212 895 F CB -0.408 38.360 39.000 -0.387 0.000 0.975 895 F HN 0.007 nan 8.300 nan 0.000 0.476 896 Y N -0.145 120.125 120.300 -0.051 0.000 2.314 896 Y HA -0.139 4.407 4.550 -0.006 0.000 0.293 896 Y C 2.642 178.538 175.900 -0.008 0.000 1.129 896 Y CA 1.278 59.347 58.100 -0.052 0.000 1.201 896 Y CB -0.542 37.965 38.460 0.079 0.000 0.999 896 Y HN 0.019 nan 8.280 nan 0.000 0.541 897 R N 0.136 120.737 120.500 0.168 0.000 2.139 897 R HA -0.210 4.127 4.340 -0.006 0.000 0.243 897 R C 1.278 177.624 176.300 0.077 0.000 1.145 897 R CA 1.707 57.883 56.100 0.126 0.000 0.976 897 R CB -0.232 30.152 30.300 0.141 0.000 0.866 897 R HN 0.308 nan 8.270 nan 0.000 0.449 898 L N -1.355 119.886 121.223 0.031 0.000 2.388 898 L HA 0.098 4.435 4.340 -0.006 0.000 0.209 898 L C 1.720 178.574 176.870 -0.026 0.000 1.061 898 L CA 0.525 55.374 54.840 0.015 0.000 0.834 898 L CB -0.513 41.555 42.059 0.016 0.000 1.029 898 L HN 0.062 nan 8.230 nan 0.000 0.473 899 F N 1.813 121.569 119.950 -0.323 0.000 2.115 899 F HA -0.290 4.233 4.527 -0.007 0.000 0.300 899 F C 2.245 177.982 175.800 -0.104 0.000 1.092 899 F CA 2.178 59.956 58.000 -0.371 0.000 1.245 899 F CB -0.286 38.205 39.000 -0.848 0.000 0.995 899 F HN 0.179 nan 8.300 nan 0.000 0.481 900 I N -1.907 118.619 120.570 -0.073 0.000 3.083 900 I HA -0.165 4.001 4.170 -0.006 0.000 0.273 900 I C 0.865 176.902 176.117 -0.134 0.000 1.297 900 I CA 1.392 62.625 61.300 -0.112 0.000 1.452 900 I CB -0.572 37.449 38.000 0.036 0.000 1.078 900 I HN 0.171 nan 8.210 nan 0.000 0.484 901 N N 0.451 119.094 118.700 -0.094 0.000 2.168 901 N HA 0.072 4.808 4.740 -0.006 0.000 0.216 901 N C 0.906 176.455 175.510 0.066 0.000 1.259 901 N CA 0.194 53.231 53.050 -0.022 0.000 0.902 901 N CB 0.544 39.060 38.487 0.049 0.000 1.079 901 N HN 0.424 nan 8.380 nan 0.000 0.507 902 E N 0.110 120.339 120.200 0.050 0.000 2.526 902 E HA 0.126 4.473 4.350 -0.006 0.000 0.208 902 E C 1.061 177.771 176.600 0.184 0.000 0.997 902 E CA 0.178 56.740 56.400 0.270 0.000 0.961 902 E CB 0.488 30.303 29.700 0.192 0.000 1.030 902 E HN 0.215 nan 8.360 nan 0.000 0.483 903 S N -0.298 115.319 115.700 -0.139 0.000 2.527 903 S HA 0.078 4.544 4.470 -0.006 0.000 0.222 903 S C 1.570 176.133 174.600 -0.060 0.000 0.985 903 S CA 0.095 58.182 58.200 -0.188 0.000 0.921 903 S CB 0.110 62.871 63.200 -0.732 0.000 0.772 903 S HN -0.114 nan 8.310 nan 0.000 0.529 904 S N 1.074 116.715 115.700 -0.099 0.000 2.537 904 S HA 0.434 4.900 4.470 -0.006 0.000 0.246 904 S C -0.800 173.685 174.600 -0.192 0.000 1.036 904 S CA -0.686 57.437 58.200 -0.129 0.000 1.041 904 S CB -0.183 62.913 63.200 -0.173 0.000 0.799 904 S HN 0.516 nan 8.310 nan 0.000 0.456 905 Y N 1.504 121.801 120.300 -0.005 0.000 2.458 905 Y HA 0.259 4.804 4.550 -0.007 0.000 0.322 905 Y C 1.866 177.781 175.900 0.023 0.000 1.259 905 Y CA -0.684 57.418 58.100 0.003 0.000 1.302 905 Y CB 0.500 38.970 38.460 0.016 0.000 1.314 905 Y HN 0.036 nan 8.280 nan 0.000 0.509 906 Q N 0.669 120.588 119.800 0.198 0.000 2.135 906 Q HA -0.056 4.280 4.340 -0.006 0.000 0.204 906 Q C 0.489 176.565 176.000 0.127 0.000 0.981 906 Q CA 1.362 57.239 55.803 0.122 0.000 0.856 906 Q CB -0.089 28.704 28.738 0.092 0.000 0.902 906 Q HN 0.847 nan 8.270 nan 0.000 0.425 907 G N -0.376 108.514 108.800 0.151 0.000 2.658 907 G HA2 0.566 4.522 3.960 -0.006 0.000 0.292 907 G HA3 0.566 4.522 3.960 -0.006 0.000 0.292 907 G C -2.010 172.980 174.900 0.150 0.000 1.320 907 G CA -0.552 44.625 45.100 0.128 0.000 0.933 907 G HN 0.043 nan 8.290 nan 0.000 0.476 908 L N 0.158 121.471 121.223 0.149 0.000 2.493 908 L HA 0.682 5.019 4.340 -0.006 0.000 0.265 908 L C -1.233 175.732 176.870 0.159 0.000 0.954 908 L CA -0.672 54.265 54.840 0.161 0.000 0.844 908 L CB 1.810 43.989 42.059 0.201 0.000 1.302 908 L HN 0.477 nan 8.230 nan 0.000 0.405 909 I N 5.308 125.964 120.570 0.142 0.000 2.336 909 I HA 0.448 4.615 4.170 -0.006 0.000 0.292 909 I C -0.685 175.462 176.117 0.050 0.000 0.991 909 I CA -0.914 60.468 61.300 0.137 0.000 1.227 909 I CB 1.873 40.008 38.000 0.226 0.000 1.366 909 I HN 0.301 nan 8.210 nan 0.000 0.466 910 V N 5.275 125.215 119.914 0.043 0.000 2.275 910 V HA 0.181 4.297 4.120 -0.006 0.000 0.272 910 V C -0.327 175.743 176.094 -0.040 0.000 1.028 910 V CA -0.492 61.813 62.300 0.007 0.000 0.810 910 V CB 1.296 33.200 31.823 0.135 0.000 1.043 910 V HN 0.608 nan 8.190 nan 0.000 0.453 911 D N 4.002 124.350 120.400 -0.087 0.000 2.316 911 D HA 0.262 4.898 4.640 -0.006 0.000 0.245 911 D C 0.535 176.821 176.300 -0.023 0.000 1.171 911 D CA -0.099 53.947 54.000 0.078 0.000 0.856 911 D CB 1.916 42.904 40.800 0.312 0.000 1.090 911 D HN 0.418 nan 8.370 nan 0.000 0.476 912 V N 1.822 121.726 119.914 -0.017 0.000 3.006 912 V HA 0.407 4.523 4.120 -0.006 0.000 0.357 912 V C 0.734 176.825 176.094 -0.005 0.000 1.377 912 V CA -0.742 61.473 62.300 -0.141 0.000 1.198 912 V CB -0.604 31.096 31.823 -0.206 0.000 1.216 912 V HN 0.252 nan 8.190 nan 0.000 0.520 913 R N 0.431 121.021 120.500 0.150 0.000 2.623 913 R HA 0.410 4.746 4.340 -0.006 0.000 0.271 913 R C 0.195 176.513 176.300 0.030 0.000 1.043 913 R CA 0.355 56.455 56.100 0.000 0.000 1.083 913 R CB -0.027 30.278 30.300 0.007 0.000 0.974 913 R HN 0.468 nan 8.270 nan 0.000 0.436 914 F N -1.289 118.619 119.950 -0.070 0.000 2.953 914 F HA -0.327 4.196 4.527 -0.006 0.000 0.292 914 F C 0.643 176.380 175.800 -0.106 0.000 0.747 914 F CA 0.324 58.202 58.000 -0.204 0.000 1.222 914 F CB -1.392 37.097 39.000 -0.852 0.000 1.457 914 F HN 0.604 nan 8.300 nan 0.000 0.383 915 N N 1.957 120.694 118.700 0.062 0.000 2.438 915 N HA 0.141 4.878 4.740 -0.006 0.000 0.267 915 N C 1.221 176.742 175.510 0.019 0.000 1.222 915 N CA 1.003 54.068 53.050 0.025 0.000 0.930 915 N CB 1.306 39.755 38.487 -0.064 0.000 1.083 915 N HN 0.369 nan 8.380 nan 0.000 0.476 916 G N 2.197 111.012 108.800 0.025 0.000 2.776 916 G HA2 0.239 4.195 3.960 -0.006 0.000 0.209 916 G HA3 0.239 4.195 3.960 -0.006 0.000 0.209 916 G C 0.832 175.739 174.900 0.012 0.000 1.145 916 G CA 0.449 45.546 45.100 -0.006 0.000 0.791 916 G HN 1.020 nan 8.290 nan 0.000 0.530 917 G N -1.647 107.174 108.800 0.036 0.000 2.741 917 G HA2 0.375 4.331 3.960 -0.006 0.000 0.222 917 G HA3 0.375 4.331 3.960 -0.006 0.000 0.222 917 G C 0.560 175.522 174.900 0.104 0.000 1.364 917 G CA 0.198 45.350 45.100 0.086 0.000 0.866 917 G HN 1.873 nan 8.290 nan 0.000 0.555 918 G N -2.815 106.078 108.800 0.156 0.000 1.930 918 G HA2 0.558 4.515 3.960 -0.006 0.000 0.054 918 G HA3 0.558 4.515 3.960 -0.006 0.000 0.054 918 G C 0.442 175.512 174.900 0.283 0.000 0.902 918 G CA 1.218 46.459 45.100 0.235 0.000 1.168 918 G HN 2.484 nan 8.290 nan 0.000 0.383 919 F N -0.765 119.199 119.950 0.023 0.000 3.196 919 F HA 0.402 4.925 4.527 -0.006 0.000 0.379 919 F C 1.152 176.934 175.800 -0.029 0.000 1.175 919 F CA 0.862 58.854 58.000 -0.013 0.000 0.940 919 F CB -0.409 38.577 39.000 -0.025 0.000 1.548 919 F HN 0.911 nan 8.300 nan 0.000 0.508 920 V N -0.703 118.818 119.914 -0.656 0.000 3.596 920 V HA 0.181 4.297 4.120 -0.006 0.000 0.289 920 V C 2.123 178.065 176.094 -0.254 0.000 1.336 920 V CA 0.849 62.853 62.300 -0.494 0.000 1.137 920 V CB -0.756 30.714 31.823 -0.588 0.000 0.966 920 V HN 0.447 nan 8.190 nan 0.000 0.428 921 S N 2.276 117.884 115.700 -0.153 0.000 2.374 921 S HA -0.393 4.074 4.470 -0.006 0.000 0.227 921 S C 1.979 176.600 174.600 0.035 0.000 1.037 921 S CA 2.050 60.237 58.200 -0.021 0.000 1.024 921 S CB -0.812 62.460 63.200 0.119 0.000 0.861 921 S HN 0.906 nan 8.310 nan 0.000 0.456 922 Q N 1.442 121.256 119.800 0.024 0.000 2.124 922 Q HA -0.048 4.289 4.340 -0.006 0.000 0.202 922 Q C 2.257 178.253 176.000 -0.006 0.000 0.977 922 Q CA 1.619 57.446 55.803 0.040 0.000 0.850 922 Q CB -0.830 27.945 28.738 0.062 0.000 0.901 922 Q HN 0.608 nan 8.270 nan 0.000 0.429 923 L N 0.113 121.305 121.223 -0.051 0.000 2.141 923 L HA -0.078 4.258 4.340 -0.006 0.000 0.209 923 L C 2.399 179.170 176.870 -0.165 0.000 1.094 923 L CA 0.776 55.577 54.840 -0.065 0.000 0.763 923 L CB -0.361 41.666 42.059 -0.053 0.000 0.908 923 L HN 0.264 nan 8.230 nan 0.000 0.437 924 I N -0.609 119.788 120.570 -0.289 0.000 2.400 924 I HA -0.202 3.964 4.170 -0.006 0.000 0.248 924 I C 2.421 178.353 176.117 -0.307 0.000 1.109 924 I CA 0.639 61.583 61.300 -0.593 0.000 1.425 924 I CB -0.070 37.424 38.000 -0.842 0.000 1.094 924 I HN 0.123 nan 8.210 nan 0.000 0.425 925 I N 1.141 121.683 120.570 -0.046 0.000 2.264 925 I HA -0.315 3.852 4.170 -0.006 0.000 0.248 925 I C 2.514 178.613 176.117 -0.030 0.000 1.111 925 I CA 1.678 62.992 61.300 0.023 0.000 1.382 925 I CB -0.912 37.114 38.000 0.043 0.000 1.060 925 I HN 0.420 nan 8.210 nan 0.000 0.418 926 E N 0.925 121.101 120.200 -0.039 0.000 2.110 926 E HA -0.276 4.070 4.350 -0.006 0.000 0.193 926 E C 2.071 178.661 176.600 -0.017 0.000 0.988 926 E CA 1.401 57.791 56.400 -0.017 0.000 0.804 926 E CB 0.178 29.879 29.700 0.001 0.000 0.745 926 E HN 0.196 nan 8.360 nan 0.000 0.458 927 K N 0.357 120.720 120.400 -0.062 0.000 2.031 927 K HA -0.011 4.306 4.320 -0.006 0.000 0.205 927 K C 2.021 178.637 176.600 0.027 0.000 1.049 927 K CA 0.913 57.170 56.287 -0.049 0.000 0.939 927 K CB -0.184 32.184 32.500 -0.220 0.000 0.717 927 K HN 0.147 nan 8.250 nan 0.000 0.438 928 L N 0.134 121.370 121.223 0.021 0.000 2.265 928 L HA -0.088 4.248 4.340 -0.006 0.000 0.215 928 L C 2.203 179.104 176.870 0.053 0.000 1.117 928 L CA 0.625 55.537 54.840 0.120 0.000 0.782 928 L CB -0.318 41.839 42.059 0.163 0.000 0.914 928 L HN 0.264 nan 8.230 nan 0.000 0.441 929 M N -0.597 119.007 119.600 0.006 0.000 2.419 929 M HA -0.055 4.421 4.480 -0.006 0.000 0.264 929 M C 0.434 176.735 176.300 0.001 0.000 1.082 929 M CA 0.584 55.872 55.300 -0.021 0.000 1.119 929 M CB -0.705 31.879 32.600 -0.027 0.000 1.398 929 M HN 0.284 nan 8.290 nan 0.000 0.453 930 N N 2.323 121.040 118.700 0.028 0.000 2.414 930 N HA -0.049 4.687 4.740 -0.006 0.000 0.268 930 N C -0.091 175.429 175.510 0.017 0.000 1.286 930 N CA 0.318 53.380 53.050 0.019 0.000 0.896 930 N CB 0.480 38.989 38.487 0.036 0.000 1.093 930 N HN 0.140 nan 8.380 nan 0.000 0.480 931 K N 2.954 123.353 120.400 -0.003 0.000 2.211 931 K HA 0.157 4.474 4.320 -0.006 0.000 0.275 931 K C -0.262 176.333 176.600 -0.009 0.000 1.024 931 K CA -0.699 55.590 56.287 0.004 0.000 0.887 931 K CB 0.887 33.391 32.500 0.007 0.000 1.084 931 K HN 0.424 nan 8.250 nan 0.000 0.463 932 R N 5.384 125.880 120.500 -0.008 0.000 2.351 932 R HA 0.096 4.433 4.340 -0.006 0.000 0.318 932 R C 0.731 177.033 176.300 0.003 0.000 1.055 932 R CA 0.176 56.251 56.100 -0.041 0.000 0.968 932 R CB 0.099 30.362 30.300 -0.061 0.000 0.974 932 R HN 0.807 nan 8.270 nan 0.000 0.439 933 I N 0.622 121.216 120.570 0.039 0.000 4.338 933 I HA 0.504 4.671 4.170 -0.006 0.000 0.329 933 I C 0.302 176.480 176.117 0.102 0.000 1.378 933 I CA -0.449 60.903 61.300 0.086 0.000 1.170 933 I CB 1.213 39.279 38.000 0.110 0.000 1.206 933 I HN 0.568 nan 8.210 nan 0.000 0.432 934 G N 0.001 108.844 108.800 0.071 0.000 2.649 934 G HA2 0.637 4.594 3.960 -0.006 0.000 0.290 934 G HA3 0.637 4.594 3.960 -0.006 0.000 0.290 934 G C -2.312 172.524 174.900 -0.105 0.000 1.426 934 G CA -0.515 44.621 45.100 0.060 0.000 0.794 934 G HN 0.054 nan 8.290 nan 0.000 0.483 935 Y N -0.882 119.462 120.300 0.073 0.000 2.588 935 Y HA 0.534 5.080 4.550 -0.007 0.000 0.343 935 Y C -1.134 174.787 175.900 0.035 0.000 1.065 935 Y CA -0.688 57.450 58.100 0.063 0.000 1.038 935 Y CB 2.926 41.408 38.460 0.037 0.000 1.297 935 Y HN 0.525 nan 8.280 nan 0.000 0.467 936 D N 1.269 121.810 120.400 0.236 0.000 2.344 936 D HA 0.240 4.877 4.640 -0.006 0.000 0.239 936 D C -1.447 174.922 176.300 0.115 0.000 1.064 936 D CA -0.462 53.615 54.000 0.129 0.000 0.829 936 D CB 0.791 41.654 40.800 0.105 0.000 1.129 936 D HN 0.498 nan 8.370 nan 0.000 0.506 937 N N 4.046 122.788 118.700 0.070 0.000 2.457 937 N HA 0.398 5.134 4.740 -0.006 0.000 0.250 937 N C -2.251 173.276 175.510 0.028 0.000 0.982 937 N CA -1.022 52.052 53.050 0.041 0.000 0.941 937 N CB 1.315 39.816 38.487 0.024 0.000 1.120 937 N HN 0.293 nan 8.380 nan 0.000 0.505 938 P HA 0.306 nan 4.420 nan 0.000 0.285 938 P C 0.292 177.598 177.300 0.009 0.000 1.269 938 P CA -0.518 62.593 63.100 0.018 0.000 0.844 938 P CB 1.930 33.642 31.700 0.020 0.000 1.094 939 R N 1.716 122.220 120.500 0.007 0.000 2.081 939 R HA -0.073 4.263 4.340 -0.006 0.000 0.235 939 R C 0.883 177.183 176.300 0.001 0.000 1.131 939 R CA 1.518 57.620 56.100 0.003 0.000 0.960 939 R CB -0.207 30.095 30.300 0.003 0.000 0.856 939 R HN 0.644 nan 8.270 nan 0.000 0.436 940 R N -1.443 119.058 120.500 0.003 0.000 2.686 940 R HA 0.636 4.973 4.340 -0.006 0.000 0.283 940 R C -0.411 175.891 176.300 0.002 0.000 0.978 940 R CA -0.503 55.597 56.100 0.000 0.000 0.897 940 R CB 1.728 32.028 30.300 0.000 0.000 1.192 940 R HN 0.228 nan 8.270 nan 0.000 0.457 941 G N 0.914 109.713 108.800 -0.002 0.000 2.447 941 G HA2 -0.067 3.889 3.960 -0.006 0.000 0.220 941 G HA3 -0.067 3.889 3.960 -0.006 0.000 0.220 941 G C -0.638 174.261 174.900 -0.003 0.000 1.261 941 G CA -0.385 44.714 45.100 -0.001 0.000 1.000 941 G HN 1.057 nan 8.290 nan 0.000 0.515 942 T N -1.585 112.970 114.554 0.001 0.000 2.940 942 T HA 0.749 5.095 4.350 -0.006 0.000 0.288 942 T C 0.739 175.453 174.700 0.023 0.000 1.045 942 T CA -0.627 61.472 62.100 -0.001 0.000 1.018 942 T CB 1.426 70.287 68.868 -0.011 0.000 1.151 942 T HN 0.999 nan 8.240 nan 0.000 0.529 943 L N 1.684 122.922 121.223 0.025 0.000 2.514 943 L HA 0.283 4.620 4.340 -0.006 0.000 0.280 943 L C 0.466 177.442 176.870 0.176 0.000 1.223 943 L CA -0.171 54.728 54.840 0.099 0.000 0.864 943 L CB 0.390 42.473 42.059 0.040 0.000 1.118 943 L HN 0.702 nan 8.230 nan 0.000 0.494 944 S N 3.385 119.214 115.700 0.215 0.000 2.449 944 S HA 0.454 4.921 4.470 -0.006 0.000 0.310 944 S C -2.302 172.386 174.600 0.147 0.000 1.096 944 S CA -1.097 57.196 58.200 0.155 0.000 1.095 944 S CB 1.788 65.050 63.200 0.103 0.000 1.007 944 S HN 0.431 nan 8.310 nan 0.000 0.474 945 P HA 0.247 nan 4.420 nan 0.000 0.282 945 P C -1.537 175.673 177.300 -0.150 0.000 1.249 945 P CA -0.414 62.486 63.100 -0.333 0.000 0.806 945 P CB 0.627 32.168 31.700 -0.265 0.000 0.984 946 Y N 4.088 124.198 120.300 -0.317 0.000 2.326 946 Y HA 0.466 5.012 4.550 -0.006 0.000 0.329 946 Y C -2.666 173.162 175.900 -0.121 0.000 0.973 946 Y CA -2.671 55.342 58.100 -0.145 0.000 1.162 946 Y CB 1.723 40.124 38.460 -0.098 0.000 1.147 946 Y HN 0.266 nan 8.280 nan 0.000 0.456 947 P HA 0.183 nan 4.420 nan 0.000 0.274 947 P C 0.459 177.638 177.300 -0.201 0.000 1.246 947 P CA -0.010 62.749 63.100 -0.567 0.000 0.795 947 P CB 1.096 32.547 31.700 -0.416 0.000 1.006 948 T N -0.508 113.981 114.554 -0.108 0.000 2.746 948 T HA -0.122 4.225 4.350 -0.006 0.000 0.267 948 T C 0.680 175.408 174.700 0.046 0.000 1.039 948 T CA 1.520 63.611 62.100 -0.014 0.000 1.142 948 T CB -0.946 67.936 68.868 0.025 0.000 0.866 948 T HN 0.488 nan 8.240 nan 0.000 0.444 949 N N 2.010 120.773 118.700 0.104 0.000 3.052 949 N HA 0.188 4.924 4.740 -0.006 0.000 0.302 949 N C -0.624 175.081 175.510 0.325 0.000 1.332 949 N CA -0.477 52.758 53.050 0.308 0.000 1.129 949 N CB 0.282 38.958 38.487 0.314 0.000 1.436 949 N HN 0.295 nan 8.380 nan 0.000 0.536 950 S N -1.468 114.345 115.700 0.189 0.000 2.566 950 S HA 0.504 4.971 4.470 -0.006 0.000 0.298 950 S C -0.134 174.556 174.600 0.150 0.000 1.083 950 S CA -0.842 57.453 58.200 0.158 0.000 0.978 950 S CB 1.781 64.992 63.200 0.017 0.000 1.073 950 S HN -0.137 nan 8.310 nan 0.000 0.491 951 V N 3.255 123.282 119.914 0.187 0.000 2.649 951 V HA 0.354 4.471 4.120 -0.006 0.000 0.292 951 V C 1.829 177.977 176.094 0.090 0.000 1.055 951 V CA -0.471 61.921 62.300 0.154 0.000 1.023 951 V CB 1.129 33.081 31.823 0.216 0.000 0.992 951 V HN 1.061 nan 8.190 nan 0.000 0.480 952 R N 2.349 122.894 120.500 0.075 0.000 2.075 952 R HA 0.084 4.421 4.340 -0.006 0.000 0.226 952 R C 1.049 177.402 176.300 0.088 0.000 1.114 952 R CA 1.371 57.517 56.100 0.077 0.000 0.972 952 R CB -0.032 30.310 30.300 0.070 0.000 0.869 952 R HN 0.889 nan 8.270 nan 0.000 0.437 953 G N -0.056 108.802 108.800 0.097 0.000 3.302 953 G HA2 0.254 4.210 3.960 -0.006 0.000 0.170 953 G HA3 0.254 4.210 3.960 -0.006 0.000 0.170 953 G C -1.150 173.805 174.900 0.092 0.000 1.119 953 G CA -0.627 44.527 45.100 0.090 0.000 0.826 953 G HN -0.031 nan 8.290 nan 0.000 0.646 954 K N 0.576 121.029 120.400 0.089 0.000 2.326 954 K HA 0.408 4.724 4.320 -0.006 0.000 0.275 954 K C -0.357 176.321 176.600 0.130 0.000 1.018 954 K CA 0.118 56.460 56.287 0.091 0.000 0.962 954 K CB 1.362 33.906 32.500 0.074 0.000 0.953 954 K HN 0.306 nan 8.250 nan 0.000 0.475 955 I N 2.684 123.348 120.570 0.157 0.000 2.562 955 I HA 0.375 4.541 4.170 -0.006 0.000 0.301 955 I C -0.184 176.113 176.117 0.301 0.000 1.003 955 I CA -1.072 60.378 61.300 0.251 0.000 1.127 955 I CB 1.651 39.853 38.000 0.337 0.000 1.304 955 I HN 0.279 nan 8.210 nan 0.000 0.446 956 I N 4.029 124.762 120.570 0.272 0.000 2.534 956 I HA 0.574 4.740 4.170 -0.006 0.000 0.288 956 I C -0.706 175.442 176.117 0.051 0.000 1.077 956 I CA -0.372 61.049 61.300 0.201 0.000 1.051 956 I CB 1.787 39.872 38.000 0.141 0.000 1.234 956 I HN 0.690 nan 8.210 nan 0.000 0.425 957 A N 8.151 130.868 122.820 -0.171 0.000 2.312 957 A HA 0.833 5.150 4.320 -0.006 0.000 0.326 957 A C -0.762 176.741 177.584 -0.136 0.000 1.172 957 A CA -0.544 51.250 52.037 -0.404 0.000 0.821 957 A CB 0.904 19.204 19.000 -1.166 0.000 1.166 957 A HN 0.601 nan 8.150 nan 0.000 0.493 958 I N 1.271 121.809 120.570 -0.053 0.000 2.465 958 I HA 0.547 4.713 4.170 -0.006 0.000 0.291 958 I C 0.033 176.165 176.117 0.025 0.000 1.014 958 I CA -0.258 61.060 61.300 0.030 0.000 1.093 958 I CB 2.314 40.386 38.000 0.121 0.000 1.267 958 I HN 0.667 nan 8.210 nan 0.000 0.431 959 T N 4.299 118.858 114.554 0.009 0.000 2.868 959 T HA 0.594 4.940 4.350 -0.006 0.000 0.306 959 T C -1.375 173.298 174.700 -0.045 0.000 1.224 959 T CA -0.605 61.490 62.100 -0.007 0.000 1.012 959 T CB 1.779 70.653 68.868 0.010 0.000 1.221 959 T HN 0.838 nan 8.240 nan 0.000 0.499 960 N N 0.608 119.245 118.700 -0.106 0.000 3.157 960 N HA 0.300 5.037 4.740 -0.006 0.000 0.291 960 N C 0.556 175.953 175.510 -0.189 0.000 1.515 960 N CA -0.713 52.238 53.050 -0.165 0.000 0.807 960 N CB 0.356 38.691 38.487 -0.253 0.000 1.672 960 N HN 0.608 nan 8.380 nan 0.000 0.592 961 E N -0.634 119.380 120.200 -0.310 0.000 2.515 961 E HA -0.147 4.200 4.350 -0.006 0.000 0.201 961 E C -0.132 176.261 176.600 -0.345 0.000 1.071 961 E CA 0.961 57.175 56.400 -0.309 0.000 0.880 961 E CB -0.530 28.936 29.700 -0.390 0.000 0.828 961 E HN 0.741 nan 8.360 nan 0.000 0.540 962 Y N 0.650 120.881 120.300 -0.115 0.000 2.485 962 Y HA 0.422 4.969 4.550 -0.006 0.000 0.260 962 Y C 0.954 176.785 175.900 -0.114 0.000 1.173 962 Y CA -0.219 57.811 58.100 -0.117 0.000 1.252 962 Y CB 0.834 39.179 38.460 -0.192 0.000 1.123 962 Y HN 0.059 nan 8.280 nan 0.000 0.524 963 A N 0.765 123.597 122.820 0.020 0.000 2.276 963 A HA 0.778 5.094 4.320 -0.006 0.000 0.316 963 A C 0.326 177.996 177.584 0.143 0.000 1.229 963 A CA 0.016 52.080 52.037 0.045 0.000 0.851 963 A CB 0.291 19.306 19.000 0.025 0.000 1.165 963 A HN 0.305 nan 8.150 nan 0.000 0.513 964 G N -0.089 108.799 108.800 0.147 0.000 2.682 964 G HA2 0.616 4.572 3.960 -0.006 0.000 0.290 964 G HA3 0.616 4.572 3.960 -0.006 0.000 0.290 964 G C 0.116 175.247 174.900 0.385 0.000 1.425 964 G CA 0.534 45.862 45.100 0.381 0.000 0.807 964 G HN 1.769 nan 8.290 nan 0.000 0.482 965 S N -0.986 115.113 115.700 0.666 0.000 4.140 965 S HA -0.356 4.111 4.470 -0.006 0.000 0.618 965 S C 1.558 176.315 174.600 0.262 0.000 1.896 965 S CA 2.283 60.808 58.200 0.541 0.000 4.240 965 S CB -1.560 62.004 63.200 0.607 0.000 0.208 965 S HN 1.129 nan 8.310 nan 0.000 0.487 966 D N 0.783 121.294 120.400 0.185 0.000 2.265 966 D HA 0.049 4.686 4.640 -0.006 0.000 0.208 966 D C 1.777 178.146 176.300 0.117 0.000 0.977 966 D CA 1.915 55.965 54.000 0.084 0.000 0.871 966 D CB -0.879 39.956 40.800 0.059 0.000 0.925 966 D HN 0.542 nan 8.370 nan 0.000 0.485 967 G N -0.383 108.502 108.800 0.143 0.000 2.448 967 G HA2 -0.197 3.759 3.960 -0.006 0.000 0.218 967 G HA3 -0.197 3.759 3.960 -0.006 0.000 0.218 967 G C 1.436 176.476 174.900 0.232 0.000 1.135 967 G CA 0.481 45.670 45.100 0.148 0.000 0.784 967 G HN 0.209 nan 8.290 nan 0.000 0.543 968 D N 0.627 121.176 120.400 0.248 0.000 2.123 968 D HA -0.018 4.619 4.640 -0.006 0.000 0.200 968 D C 2.590 179.048 176.300 0.264 0.000 0.976 968 D CA 0.346 54.502 54.000 0.259 0.000 0.831 968 D CB 0.034 40.996 40.800 0.271 0.000 0.974 968 D HN 0.324 nan 8.370 nan 0.000 0.469 969 I N 0.539 121.214 120.570 0.175 0.000 2.142 969 I HA -0.266 3.900 4.170 -0.006 0.000 0.240 969 I C 2.370 178.669 176.117 0.302 0.000 1.078 969 I CA 0.806 62.196 61.300 0.150 0.000 1.343 969 I CB -0.290 37.554 38.000 -0.260 0.000 1.046 969 I HN -0.090 nan 8.210 nan 0.000 0.405 970 F N 1.585 121.591 119.950 0.094 0.000 2.091 970 F HA -0.294 4.229 4.527 -0.005 0.000 0.299 970 F C 2.663 178.544 175.800 0.136 0.000 1.103 970 F CA 2.031 60.085 58.000 0.090 0.000 1.228 970 F CB -0.349 38.656 39.000 0.009 0.000 0.984 970 F HN -0.055 nan 8.300 nan 0.000 0.477 971 S N 0.345 116.179 115.700 0.223 0.000 2.353 971 S HA -0.233 4.234 4.470 -0.006 0.000 0.222 971 S C 1.828 176.447 174.600 0.032 0.000 1.035 971 S CA 1.541 59.797 58.200 0.094 0.000 1.025 971 S CB -0.961 62.339 63.200 0.167 0.000 0.902 971 S HN 0.526 nan 8.310 nan 0.000 0.440 972 F N 2.341 122.266 119.950 -0.043 0.000 2.134 972 F HA -0.151 4.372 4.527 -0.006 0.000 0.299 972 F C 2.511 178.149 175.800 -0.269 0.000 1.097 972 F CA 1.389 59.264 58.000 -0.208 0.000 1.264 972 F CB -0.550 38.210 39.000 -0.400 0.000 1.001 972 F HN 0.086 nan 8.300 nan 0.000 0.479 973 S N 0.275 115.986 115.700 0.018 0.000 2.359 973 S HA -0.245 4.222 4.470 -0.006 0.000 0.224 973 S C 1.857 176.348 174.600 -0.181 0.000 1.035 973 S CA 1.553 59.738 58.200 -0.025 0.000 1.018 973 S CB -0.913 62.338 63.200 0.084 0.000 0.876 973 S HN 0.493 nan 8.310 nan 0.000 0.448 974 F N 2.311 122.013 119.950 -0.413 0.000 2.095 974 F HA -0.194 4.329 4.527 -0.006 0.000 0.298 974 F C 2.101 177.724 175.800 -0.296 0.000 1.104 974 F CA 1.583 59.340 58.000 -0.406 0.000 1.232 974 F CB -0.145 38.548 39.000 -0.511 0.000 0.987 974 F HN 0.099 nan 8.300 nan 0.000 0.475 975 K N -0.221 120.101 120.400 -0.131 0.000 2.007 975 K HA -0.187 4.130 4.320 -0.006 0.000 0.206 975 K C 2.034 178.435 176.600 -0.333 0.000 1.047 975 K CA 1.457 57.613 56.287 -0.218 0.000 0.937 975 K CB -0.342 31.988 32.500 -0.282 0.000 0.718 975 K HN -0.002 nan 8.250 nan 0.000 0.438 976 K N 1.678 121.789 120.400 -0.481 0.000 2.113 976 K HA -0.127 4.190 4.320 -0.006 0.000 0.208 976 K C 1.597 178.056 176.600 -0.235 0.000 1.047 976 K CA 1.364 57.407 56.287 -0.407 0.000 0.928 976 K CB -0.188 32.045 32.500 -0.444 0.000 0.716 976 K HN 0.079 nan 8.250 nan 0.000 0.446 977 L N -0.737 120.350 121.223 -0.226 0.000 2.591 977 L HA 0.214 4.550 4.340 -0.006 0.000 0.228 977 L C 1.044 177.781 176.870 -0.222 0.000 1.133 977 L CA 0.272 54.999 54.840 -0.188 0.000 0.880 977 L CB -0.227 41.721 42.059 -0.185 0.000 1.033 977 L HN 0.494 nan 8.230 nan 0.000 0.450 978 G N 0.489 109.136 108.800 -0.256 0.000 2.249 978 G HA2 -0.294 3.662 3.960 -0.006 0.000 0.273 978 G HA3 -0.294 3.662 3.960 -0.006 0.000 0.273 978 G C 0.618 175.331 174.900 -0.312 0.000 1.036 978 G CA 0.176 45.136 45.100 -0.235 0.000 0.824 978 G HN 0.233 nan 8.290 nan 0.000 0.504 979 L N -0.435 120.445 121.223 -0.573 0.000 2.275 979 L HA 0.433 4.770 4.340 -0.006 0.000 0.215 979 L C 1.857 178.376 176.870 -0.586 0.000 1.119 979 L CA 2.336 56.728 54.840 -0.747 0.000 0.790 979 L CB -0.425 40.826 42.059 -1.347 0.000 0.919 979 L HN 1.106 nan 8.230 nan 0.000 0.443 980 G N -2.523 106.041 108.800 -0.393 0.000 2.327 980 G HA2 0.147 4.104 3.960 -0.006 0.000 0.291 980 G HA3 0.147 4.104 3.960 -0.006 0.000 0.291 980 G C -1.345 173.696 174.900 0.236 0.000 1.290 980 G CA -0.936 44.204 45.100 0.068 0.000 0.857 980 G HN -0.286 nan 8.290 nan 0.000 0.520 981 K N -0.414 120.133 120.400 0.246 0.000 2.118 981 K HA 0.626 4.943 4.320 -0.006 0.000 0.264 981 K C -0.692 176.028 176.600 0.199 0.000 1.000 981 K CA -0.663 55.735 56.287 0.184 0.000 0.929 981 K CB 1.799 34.386 32.500 0.144 0.000 1.021 981 K HN 0.440 nan 8.250 nan 0.000 0.463 982 L N 3.511 124.802 121.223 0.112 0.000 2.305 982 L HA 0.394 4.730 4.340 -0.006 0.000 0.284 982 L C -1.043 175.839 176.870 0.019 0.000 1.013 982 L CA -0.526 54.328 54.840 0.023 0.000 0.819 982 L CB 0.843 42.905 42.059 0.004 0.000 1.227 982 L HN 0.405 nan 8.230 nan 0.000 0.417 983 I N 4.299 124.878 120.570 0.016 0.000 2.562 983 I HA 0.924 5.090 4.170 -0.006 0.000 0.301 983 I C 0.706 176.816 176.117 -0.012 0.000 1.003 983 I CA 0.401 61.709 61.300 0.014 0.000 1.127 983 I CB 1.580 39.642 38.000 0.103 0.000 1.304 983 I HN 0.775 nan 8.210 nan 0.000 0.446 984 G N 3.258 112.031 108.800 -0.045 0.000 2.204 984 G HA2 0.176 4.132 3.960 -0.006 0.000 0.153 984 G HA3 0.176 4.132 3.960 -0.006 0.000 0.153 984 G C -0.578 174.295 174.900 -0.044 0.000 1.295 984 G CA -0.117 44.962 45.100 -0.034 0.000 1.257 984 G HN 0.929 nan 8.290 nan 0.000 0.495 985 T N -2.020 112.507 114.554 -0.044 0.000 2.903 985 T HA 0.694 5.041 4.350 -0.006 0.000 0.299 985 T C -0.041 174.619 174.700 -0.066 0.000 1.093 985 T CA 0.149 62.218 62.100 -0.052 0.000 1.002 985 T CB 2.421 71.259 68.868 -0.050 0.000 1.127 985 T HN 1.085 nan 8.240 nan 0.000 0.488 986 R N 1.686 122.138 120.500 -0.080 0.000 2.566 986 R HA 0.229 4.565 4.340 -0.006 0.000 0.273 986 R C 0.681 176.930 176.300 -0.084 0.000 0.981 986 R CA 0.513 56.550 56.100 -0.105 0.000 1.091 986 R CB -0.045 30.133 30.300 -0.205 0.000 0.924 986 R HN 0.927 nan 8.270 nan 0.000 0.411 987 T N 1.359 115.896 114.554 -0.029 0.000 2.816 987 T HA 0.010 4.356 4.350 -0.006 0.000 0.282 987 T C 0.941 175.733 174.700 0.155 0.000 0.993 987 T CA -0.443 61.696 62.100 0.065 0.000 0.994 987 T CB 0.615 69.561 68.868 0.130 0.000 1.025 987 T HN 0.827 nan 8.240 nan 0.000 0.529 988 W N 2.235 123.567 121.300 0.055 0.000 2.280 988 W HA -0.115 4.542 4.660 -0.005 0.000 0.332 988 W C 1.785 178.463 176.519 0.265 0.000 1.300 988 W CA 2.904 60.349 57.345 0.168 0.000 1.274 988 W CB -1.074 28.509 29.460 0.205 0.000 1.141 988 W HN 1.473 nan 8.180 nan 0.000 0.474 989 G N -1.047 107.909 108.800 0.259 0.000 2.207 989 G HA2 -0.008 3.948 3.960 -0.006 0.000 0.216 989 G HA3 -0.008 3.948 3.960 -0.006 0.000 0.216 989 G C 0.103 175.039 174.900 0.059 0.000 1.053 989 G CA -0.075 45.089 45.100 0.108 0.000 0.764 989 G HN 1.079 nan 8.290 nan 0.000 0.495 990 G N -0.552 108.206 108.800 -0.070 0.000 2.866 990 G HA2 0.654 4.610 3.960 -0.006 0.000 0.318 990 G HA3 0.654 4.610 3.960 -0.006 0.000 0.318 990 G C 0.341 175.407 174.900 0.277 0.000 1.336 990 G CA 0.198 45.147 45.100 -0.251 0.000 1.067 990 G HN 1.609 nan 8.290 nan 0.000 0.515 991 V N 0.491 120.496 119.914 0.153 0.000 2.804 991 V HA 0.462 4.578 4.120 -0.006 0.000 0.360 991 V C -0.479 175.609 176.094 -0.011 0.000 1.282 991 V CA -0.677 61.687 62.300 0.106 0.000 1.274 991 V CB 0.472 32.343 31.823 0.080 0.000 1.415 991 V HN 0.206 nan 8.190 nan 0.000 0.610 992 V N 2.084 121.932 119.914 -0.110 0.000 2.304 992 V HA 0.763 4.879 4.120 -0.006 0.000 0.278 992 V C 1.237 177.119 176.094 -0.354 0.000 1.018 992 V CA 0.157 62.316 62.300 -0.237 0.000 0.814 992 V CB 0.949 32.580 31.823 -0.320 0.000 1.021 992 V HN 0.635 nan 8.190 nan 0.000 0.440 993 G N 4.713 113.363 108.800 -0.249 0.000 2.667 993 G HA2 0.589 4.546 3.960 -0.006 0.000 0.250 993 G HA3 0.589 4.546 3.960 -0.006 0.000 0.250 993 G C -0.328 174.588 174.900 0.028 0.000 1.212 993 G CA -0.291 44.654 45.100 -0.258 0.000 0.874 993 G HN 0.864 nan 8.290 nan 0.000 0.561 994 I N -3.340 117.223 120.570 -0.012 0.000 2.934 994 I HA 0.782 4.948 4.170 -0.006 0.000 0.306 994 I C -0.796 175.355 176.117 0.057 0.000 1.110 994 I CA -0.939 60.428 61.300 0.111 0.000 1.019 994 I CB 2.773 40.788 38.000 0.025 0.000 1.227 994 I HN 0.315 nan 8.210 nan 0.000 0.434 995 T N 3.440 118.089 114.554 0.157 0.000 3.318 995 T HA 0.326 4.673 4.350 -0.006 0.000 0.304 995 T C -2.548 172.188 174.700 0.060 0.000 1.051 995 T CA -0.554 61.570 62.100 0.039 0.000 1.546 995 T CB 0.488 69.362 68.868 0.009 0.000 0.875 995 T HN 0.571 nan 8.240 nan 0.000 0.578 996 P HA 0.242 nan 4.420 nan 0.000 0.269 996 P C 0.025 177.352 177.300 0.045 0.000 1.209 996 P CA -0.252 62.871 63.100 0.040 0.000 0.776 996 P CB 0.984 32.706 31.700 0.037 0.000 0.876 997 K N 0.780 121.228 120.400 0.080 0.000 2.562 997 K HA 0.335 4.652 4.320 -0.006 0.000 0.201 997 K C 0.406 177.175 176.600 0.282 0.000 1.131 997 K CA -0.541 55.824 56.287 0.130 0.000 1.059 997 K CB 0.977 33.475 32.500 -0.002 0.000 0.913 997 K HN 0.229 nan 8.250 nan 0.000 0.563 998 R N 0.937 121.556 120.500 0.198 0.000 2.698 998 R HA 0.451 4.787 4.340 -0.006 0.000 0.275 998 R C -1.155 175.202 176.300 0.095 0.000 1.001 998 R CA -0.796 55.402 56.100 0.163 0.000 0.896 998 R CB 2.390 32.785 30.300 0.157 0.000 1.218 998 R HN 0.025 nan 8.270 nan 0.000 0.462 999 R N 1.703 122.247 120.500 0.073 0.000 2.803 999 R HA 0.500 4.836 4.340 -0.006 0.000 0.276 999 R C -0.243 176.085 176.300 0.047 0.000 0.978 999 R CA -0.893 55.247 56.100 0.066 0.000 0.939 999 R CB 1.608 31.956 30.300 0.080 0.000 1.179 999 R HN 0.325 nan 8.270 nan 0.000 0.472 1000 L N 2.999 124.252 121.223 0.049 0.000 2.472 1000 L HA 0.177 4.513 4.340 -0.006 0.000 0.260 1000 L C 2.121 179.014 176.870 0.038 0.000 1.209 1000 L CA -0.024 54.835 54.840 0.032 0.000 0.817 1000 L CB 0.439 42.516 42.059 0.029 0.000 1.106 1000 L HN 0.766 nan 8.230 nan 0.000 0.479 1001 I N -1.416 119.161 120.570 0.012 0.000 2.761 1001 I HA -0.223 3.943 4.170 -0.006 0.000 0.266 1001 I C 1.230 177.356 176.117 0.015 0.000 1.239 1001 I CA 1.419 62.722 61.300 0.005 0.000 1.451 1001 I CB -0.464 37.515 38.000 -0.036 0.000 1.096 1001 I HN 0.770 nan 8.210 nan 0.000 0.465 1002 D N 0.488 120.908 120.400 0.033 0.000 2.395 1002 D HA 0.185 4.822 4.640 -0.006 0.000 0.213 1002 D C 1.554 178.026 176.300 0.287 0.000 1.110 1002 D CA 0.537 54.582 54.000 0.074 0.000 0.835 1002 D CB 0.618 41.402 40.800 -0.027 0.000 0.965 1002 D HN 0.487 nan 8.370 nan 0.000 0.505 1003 G N 0.167 109.095 108.800 0.213 0.000 2.254 1003 G HA2 -0.261 3.696 3.960 -0.006 0.000 0.225 1003 G HA3 -0.261 3.696 3.960 -0.006 0.000 0.225 1003 G C 0.523 175.505 174.900 0.136 0.000 1.003 1003 G CA 0.107 45.319 45.100 0.186 0.000 0.622 1003 G HN 0.420 nan 8.290 nan 0.000 0.507 1004 T N 1.356 115.986 114.554 0.127 0.000 2.923 1004 T HA 0.360 4.707 4.350 -0.006 0.000 0.304 1004 T C 0.379 175.136 174.700 0.096 0.000 1.044 1004 T CA 0.688 62.861 62.100 0.120 0.000 1.141 1004 T CB 1.928 70.854 68.868 0.098 0.000 1.023 1004 T HN 0.686 nan 8.240 nan 0.000 0.533 1005 V N 5.585 125.555 119.914 0.095 0.000 2.334 1005 V HA 0.373 4.489 4.120 -0.006 0.000 0.281 1005 V C 0.186 176.326 176.094 0.076 0.000 1.016 1005 V CA -0.663 61.683 62.300 0.077 0.000 0.832 1005 V CB 0.936 32.798 31.823 0.065 0.000 0.999 1005 V HN 0.684 nan 8.190 nan 0.000 0.439 1006 L N 4.508 125.767 121.223 0.060 0.000 2.344 1006 L HA 0.755 5.092 4.340 -0.006 0.000 0.272 1006 L C 0.486 177.373 176.870 0.027 0.000 1.035 1006 L CA -0.303 54.565 54.840 0.046 0.000 0.807 1006 L CB 2.237 44.310 42.059 0.023 0.000 1.237 1006 L HN 0.757 nan 8.230 nan 0.000 0.442 1007 T N -0.692 113.863 114.554 0.002 0.000 2.863 1007 T HA 0.678 5.025 4.350 -0.006 0.000 0.285 1007 T C -0.714 173.923 174.700 -0.105 0.000 1.009 1007 T CA -0.931 61.145 62.100 -0.041 0.000 0.989 1007 T CB 2.032 70.864 68.868 -0.059 0.000 1.004 1007 T HN 0.439 nan 8.240 nan 0.000 0.455 1008 Q N 2.516 122.255 119.800 -0.101 0.000 2.340 1008 Q HA 0.468 4.804 4.340 -0.006 0.000 0.268 1008 Q C -2.721 173.207 176.000 -0.119 0.000 1.031 1008 Q CA -2.188 53.531 55.803 -0.139 0.000 0.804 1008 Q CB 2.326 30.971 28.738 -0.155 0.000 1.286 1008 Q HN 0.496 nan 8.270 nan 0.000 0.448 1009 P HA -0.034 nan 4.420 nan 0.000 0.267 1009 P C -0.482 176.702 177.300 -0.194 0.000 1.328 1009 P CA 0.365 63.393 63.100 -0.121 0.000 0.990 1009 P CB 0.789 32.442 31.700 -0.077 0.000 1.168 1010 E N 2.462 122.524 120.200 -0.230 0.000 2.447 1010 E HA 0.099 4.446 4.350 -0.006 0.000 0.204 1010 E C -0.509 175.617 176.600 -0.790 0.000 0.977 1010 E CA 0.076 56.161 56.400 -0.524 0.000 0.950 1010 E CB 0.222 29.499 29.700 -0.705 0.000 0.975 1010 E HN 0.288 nan 8.360 nan 0.000 0.496 1011 F N 0.988 120.843 119.950 -0.158 0.000 2.564 1011 F HA 0.476 5.000 4.527 -0.005 0.000 0.368 1011 F C -0.188 175.462 175.800 -0.249 0.000 1.127 1011 F CA -1.032 56.878 58.000 -0.149 0.000 1.170 1011 F CB 1.226 40.154 39.000 -0.120 0.000 1.397 1011 F HN -0.093 nan 8.300 nan 0.000 0.493 1012 A N 2.998 125.628 122.820 -0.316 0.000 2.491 1012 A HA 0.266 4.582 4.320 -0.006 0.000 0.261 1012 A C -0.562 176.987 177.584 -0.058 0.000 1.101 1012 A CA -0.108 51.607 52.037 -0.536 0.000 0.772 1012 A CB -0.278 17.738 19.000 -1.639 0.000 1.043 1012 A HN 0.611 nan 8.150 nan 0.000 0.501 1013 F N 2.993 122.882 119.950 -0.102 0.000 2.456 1013 F HA 0.425 4.948 4.527 -0.006 0.000 0.358 1013 F C -0.077 175.684 175.800 -0.065 0.000 1.095 1013 F CA 0.152 58.090 58.000 -0.104 0.000 1.216 1013 F CB 0.539 39.410 39.000 -0.215 0.000 1.125 1013 F HN 0.673 nan 8.300 nan 0.000 0.549 1014 W N 8.379 129.123 121.300 -0.927 0.000 2.538 1014 W HA 0.478 5.134 4.660 -0.006 0.000 0.322 1014 W C -1.971 174.146 176.519 -0.670 0.000 1.028 1014 W CA -1.060 55.810 57.345 -0.793 0.000 1.228 1014 W CB 0.909 29.855 29.460 -0.856 0.000 1.356 1014 W HN 0.360 nan 8.180 nan 0.000 0.452 1015 F N 5.702 125.172 119.950 -0.800 0.000 2.408 1015 F HA 0.402 4.925 4.527 -0.006 0.000 0.344 1015 F C 1.065 176.098 175.800 -1.278 0.000 1.112 1015 F CA -1.177 56.407 58.000 -0.693 0.000 1.096 1015 F CB 1.129 39.724 39.000 -0.675 0.000 1.129 1015 F HN 0.212 nan 8.300 nan 0.000 0.486 1016 R N 3.703 123.845 120.500 -0.596 0.000 2.484 1016 R HA 0.019 4.356 4.340 -0.006 0.000 0.293 1016 R C -0.693 175.404 176.300 -0.339 0.000 1.023 1016 R CA 0.382 56.097 56.100 -0.640 0.000 1.037 1016 R CB 0.049 30.323 30.300 -0.045 0.000 0.951 1016 R HN 0.777 nan 8.270 nan 0.000 0.418 1017 D N 2.313 122.509 120.400 -0.340 0.000 2.873 1017 D HA -0.196 4.441 4.640 -0.006 0.000 0.228 1017 D C -0.246 175.968 176.300 -0.144 0.000 1.122 1017 D CA 1.269 55.179 54.000 -0.149 0.000 0.758 1017 D CB -1.321 39.451 40.800 -0.048 0.000 1.094 1017 D HN 0.680 nan 8.370 nan 0.000 0.434 1018 A N -1.716 120.925 122.820 -0.298 0.000 2.509 1018 A HA 0.544 4.860 4.320 -0.006 0.000 0.169 1018 A C 1.604 178.984 177.584 -0.339 0.000 1.956 1018 A CA 1.148 53.043 52.037 -0.237 0.000 1.166 1018 A CB -0.176 18.686 19.000 -0.230 0.000 1.180 1018 A HN 1.424 nan 8.150 nan 0.000 0.406 1019 G N 0.278 108.664 108.800 -0.690 0.000 2.622 1019 G HA2 -0.344 3.613 3.960 -0.006 0.000 0.307 1019 G HA3 -0.344 3.613 3.960 -0.006 0.000 0.307 1019 G C 0.467 174.973 174.900 -0.658 0.000 1.226 1019 G CA 1.112 45.733 45.100 -0.799 0.000 0.997 1019 G HN 0.853 nan 8.290 nan 0.000 0.551 1020 F N 2.724 122.679 119.950 0.007 0.000 2.695 1020 F HA 0.370 4.893 4.527 -0.006 0.000 0.303 1020 F C 2.583 178.393 175.800 0.018 0.000 1.091 1020 F CA 0.693 58.701 58.000 0.013 0.000 1.300 1020 F CB 0.136 39.155 39.000 0.032 0.000 1.071 1020 F HN 0.598 nan 8.300 nan 0.000 0.578 1021 G N 0.803 109.677 108.800 0.124 0.000 2.596 1021 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.223 1021 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.223 1021 G C 1.750 176.729 174.900 0.132 0.000 1.120 1021 G CA 1.666 46.818 45.100 0.086 0.000 0.752 1021 G HN 0.273 nan 8.290 nan 0.000 0.596 1022 V N 0.884 120.871 119.914 0.120 0.000 2.469 1022 V HA -0.059 4.057 4.120 -0.006 0.000 0.251 1022 V C 1.426 177.655 176.094 0.225 0.000 1.064 1022 V CA 1.421 63.834 62.300 0.189 0.000 1.066 1022 V CB -0.509 31.395 31.823 0.135 0.000 0.667 1022 V HN 0.537 nan 8.190 nan 0.000 0.461 1023 E N 1.295 121.619 120.200 0.206 0.000 2.415 1023 E HA -0.031 4.315 4.350 -0.006 0.000 0.263 1023 E C 0.705 177.473 176.600 0.280 0.000 0.995 1023 E CA 0.621 57.153 56.400 0.220 0.000 0.915 1023 E CB -0.719 29.078 29.700 0.162 0.000 0.951 1023 E HN 0.418 nan 8.360 nan 0.000 0.449 1024 N N 2.880 121.796 118.700 0.360 0.000 2.776 1024 N HA -0.315 4.422 4.740 -0.006 0.000 0.249 1024 N C -0.809 174.766 175.510 0.108 0.000 1.111 1024 N CA 0.805 54.022 53.050 0.278 0.000 0.711 1024 N CB -0.646 38.034 38.487 0.321 0.000 1.065 1024 N HN 0.673 nan 8.380 nan 0.000 0.556 1025 Y N -1.160 119.133 120.300 -0.011 0.000 2.840 1025 Y HA 0.325 4.872 4.550 -0.006 0.000 0.252 1025 Y C 0.955 176.851 175.900 -0.007 0.000 1.150 1025 Y CA 2.029 60.100 58.100 -0.048 0.000 1.193 1025 Y CB 0.476 38.936 38.460 0.000 0.000 1.386 1025 Y HN 0.292 nan 8.280 nan 0.000 0.483 1026 G N 0.874 109.680 108.800 0.009 0.000 2.627 1026 G HA2 -0.033 3.923 3.960 -0.006 0.000 0.214 1026 G HA3 -0.033 3.923 3.960 -0.006 0.000 0.214 1026 G C -1.688 173.263 174.900 0.085 0.000 1.331 1026 G CA -0.538 44.557 45.100 -0.008 0.000 0.891 1026 G HN 0.653 nan 8.290 nan 0.000 0.539 1027 V N 1.295 121.254 119.914 0.075 0.000 2.407 1027 V HA 0.434 4.551 4.120 -0.006 0.000 0.291 1027 V C -0.448 175.681 176.094 0.059 0.000 1.018 1027 V CA -0.932 61.459 62.300 0.152 0.000 0.842 1027 V CB 1.650 33.594 31.823 0.200 0.000 0.996 1027 V HN 0.694 nan 8.190 nan 0.000 0.426 1028 D N 6.926 127.383 120.400 0.094 0.000 2.390 1028 D HA 0.250 4.886 4.640 -0.006 0.000 0.249 1028 D C -2.169 174.142 176.300 0.018 0.000 1.144 1028 D CA -0.642 53.387 54.000 0.048 0.000 0.880 1028 D CB 1.855 42.718 40.800 0.107 0.000 1.182 1028 D HN 0.328 nan 8.370 nan 0.000 0.451 1029 P HA 0.147 nan 4.420 nan 0.000 0.281 1029 P C 0.155 177.446 177.300 -0.015 0.000 1.249 1029 P CA -0.466 62.625 63.100 -0.015 0.000 0.810 1029 P CB 1.525 33.208 31.700 -0.028 0.000 1.008 1030 D N 0.094 120.489 120.400 -0.008 0.000 2.117 1030 D HA -0.046 4.591 4.640 -0.006 0.000 0.197 1030 D C 0.436 176.729 176.300 -0.013 0.000 0.987 1030 D CA 1.595 55.593 54.000 -0.003 0.000 0.829 1030 D CB 0.103 40.916 40.800 0.021 0.000 0.961 1030 D HN 0.119 nan 8.370 nan 0.000 0.460 1031 V N 1.449 121.342 119.914 -0.035 0.000 2.407 1031 V HA 0.122 4.238 4.120 -0.006 0.000 0.291 1031 V C 0.047 176.048 176.094 -0.155 0.000 1.018 1031 V CA -0.825 61.410 62.300 -0.108 0.000 0.842 1031 V CB 2.321 34.042 31.823 -0.170 0.000 0.996 1031 V HN -0.054 nan 8.190 nan 0.000 0.426 1032 E N 4.779 124.900 120.200 -0.131 0.000 2.259 1032 E HA 0.451 4.798 4.350 -0.006 0.000 0.281 1032 E C -1.229 175.278 176.600 -0.155 0.000 1.037 1032 E CA -0.303 56.031 56.400 -0.110 0.000 0.854 1032 E CB 0.968 30.631 29.700 -0.062 0.000 1.051 1032 E HN 0.634 nan 8.360 nan 0.000 0.409 1033 I N 5.084 125.571 120.570 -0.139 0.000 2.521 1033 I HA 0.107 4.274 4.170 -0.006 0.000 0.277 1033 I C 0.045 176.126 176.117 -0.060 0.000 1.054 1033 I CA -0.514 60.698 61.300 -0.147 0.000 1.117 1033 I CB 1.301 39.163 38.000 -0.230 0.000 1.217 1033 I HN 0.361 nan 8.210 nan 0.000 0.469 1034 E N 3.388 123.589 120.200 0.001 0.000 2.422 1034 E HA -0.035 4.312 4.350 -0.006 0.000 0.260 1034 E C -1.039 175.580 176.600 0.032 0.000 1.108 1034 E CA 0.294 56.744 56.400 0.084 0.000 0.943 1034 E CB 1.044 30.870 29.700 0.211 0.000 0.961 1034 E HN 0.314 nan 8.360 nan 0.000 0.443 1035 Y N 0.947 121.191 120.300 -0.094 0.000 2.837 1035 Y HA 0.365 4.911 4.550 -0.006 0.000 0.356 1035 Y C -0.098 175.593 175.900 -0.348 0.000 1.035 1035 Y CA -0.954 57.001 58.100 -0.241 0.000 1.165 1035 Y CB 0.062 38.402 38.460 -0.201 0.000 1.147 1035 Y HN 0.490 nan 8.280 nan 0.000 0.628 1036 A N 4.848 127.530 122.820 -0.230 0.000 2.366 1036 A HA 0.322 4.638 4.320 -0.006 0.000 0.250 1036 A C -1.505 175.733 177.584 -0.577 0.000 1.099 1036 A CA -1.033 50.604 52.037 -0.667 0.000 0.794 1036 A CB 0.138 18.749 19.000 -0.648 0.000 1.056 1036 A HN 0.523 nan 8.150 nan 0.000 0.499 1037 P HA -0.166 nan 4.420 nan 0.000 0.216 1037 P C 0.663 177.777 177.300 -0.310 0.000 1.150 1037 P CA 2.049 64.808 63.100 -0.569 0.000 0.837 1037 P CB -0.203 30.736 31.700 -1.268 0.000 0.786 1038 H N -2.796 116.252 119.070 -0.037 0.000 2.524 1038 H HA 0.032 4.585 4.556 -0.006 0.000 0.282 1038 H C 1.353 176.724 175.328 0.072 0.000 1.016 1038 H CA 0.771 56.897 56.048 0.130 0.000 1.270 1038 H CB -1.097 28.826 29.762 0.269 0.000 1.394 1038 H HN 0.087 nan 8.280 nan 0.000 0.568 1039 D N 0.681 120.959 120.400 -0.204 0.000 2.123 1039 D HA -0.130 4.507 4.640 -0.006 0.000 0.200 1039 D C 1.459 177.736 176.300 -0.038 0.000 0.976 1039 D CA 1.067 54.983 54.000 -0.140 0.000 0.831 1039 D CB -0.259 40.355 40.800 -0.311 0.000 0.974 1039 D HN 0.476 nan 8.370 nan 0.000 0.469 1040 Y N 1.037 121.366 120.300 0.048 0.000 2.242 1040 Y HA -0.054 4.492 4.550 -0.006 0.000 0.291 1040 Y C 2.508 178.403 175.900 -0.008 0.000 1.137 1040 Y CA 0.450 58.560 58.100 0.017 0.000 1.181 1040 Y CB -0.293 38.083 38.460 -0.141 0.000 0.989 1040 Y HN -0.092 nan 8.280 nan 0.000 0.527 1041 L N -0.454 120.851 121.223 0.136 0.000 2.191 1041 L HA -0.191 4.145 4.340 -0.006 0.000 0.212 1041 L C 2.151 179.081 176.870 0.101 0.000 1.103 1041 L CA 1.570 56.476 54.840 0.110 0.000 0.769 1041 L CB -0.518 41.626 42.059 0.142 0.000 0.908 1041 L HN 0.269 nan 8.230 nan 0.000 0.438 1042 S N -0.997 114.760 115.700 0.095 0.000 2.605 1042 S HA 0.172 4.638 4.470 -0.006 0.000 0.217 1042 S C 1.416 176.044 174.600 0.046 0.000 0.958 1042 S CA 0.207 58.450 58.200 0.071 0.000 0.919 1042 S CB 0.296 63.539 63.200 0.072 0.000 0.780 1042 S HN 0.469 nan 8.310 nan 0.000 0.507 1043 G N 1.572 110.405 108.800 0.056 0.000 2.305 1043 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.287 1043 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.287 1043 G C -0.234 174.661 174.900 -0.008 0.000 1.036 1043 G CA 0.690 45.813 45.100 0.039 0.000 0.887 1043 G HN 0.799 nan 8.290 nan 0.000 0.505 1044 K N 0.034 120.415 120.400 -0.032 0.000 2.324 1044 K HA 0.463 4.779 4.320 -0.006 0.000 0.253 1044 K C -1.482 174.993 176.600 -0.209 0.000 0.932 1044 K CA -0.983 55.240 56.287 -0.107 0.000 0.799 1044 K CB 1.336 33.785 32.500 -0.085 0.000 1.154 1044 K HN -0.026 nan 8.250 nan 0.000 0.425 1045 D N 6.129 126.378 120.400 -0.250 0.000 2.467 1045 D HA 0.158 4.795 4.640 -0.006 0.000 0.220 1045 D C -1.518 174.539 176.300 -0.405 0.000 1.103 1045 D CA -2.405 51.371 54.000 -0.373 0.000 0.886 1045 D CB 1.578 42.286 40.800 -0.154 0.000 1.025 1045 D HN 0.346 nan 8.370 nan 0.000 0.514 1046 P HA -0.160 nan 4.420 nan 0.000 0.218 1046 P C 1.124 178.309 177.300 -0.191 0.000 1.149 1046 P CA 1.020 63.913 63.100 -0.345 0.000 0.817 1046 P CB 0.647 32.101 31.700 -0.410 0.000 0.785 1047 Q N -0.467 119.185 119.800 -0.247 0.000 2.079 1047 Q HA -0.061 4.275 4.340 -0.006 0.000 0.200 1047 Q C 2.413 178.449 176.000 0.059 0.000 0.974 1047 Q CA 0.998 56.773 55.803 -0.046 0.000 0.840 1047 Q CB -0.474 28.268 28.738 0.006 0.000 0.898 1047 Q HN 0.242 nan 8.270 nan 0.000 0.430 1048 I N 0.517 121.107 120.570 0.034 0.000 2.439 1048 I HA -0.230 3.937 4.170 -0.006 0.000 0.251 1048 I C 1.086 177.264 176.117 0.102 0.000 1.139 1048 I CA 0.912 62.262 61.300 0.083 0.000 1.438 1048 I CB 0.127 38.147 38.000 0.034 0.000 1.085 1048 I HN 0.159 nan 8.210 nan 0.000 0.427 1049 D N -0.030 120.418 120.400 0.079 0.000 2.117 1049 D HA -0.250 4.387 4.640 -0.006 0.000 0.197 1049 D C 1.811 178.155 176.300 0.073 0.000 0.987 1049 D CA 1.331 55.387 54.000 0.093 0.000 0.829 1049 D CB -0.297 40.542 40.800 0.064 0.000 0.961 1049 D HN 0.424 nan 8.370 nan 0.000 0.460 1050 Y N 1.346 121.640 120.300 -0.010 0.000 2.200 1050 Y HA -0.128 4.418 4.550 -0.006 0.000 0.290 1050 Y C 2.216 178.124 175.900 0.013 0.000 1.137 1050 Y CA 1.604 59.702 58.100 -0.004 0.000 1.163 1050 Y CB -0.226 38.225 38.460 -0.015 0.000 0.988 1050 Y HN -0.055 nan 8.280 nan 0.000 0.518 1051 A N 0.642 123.561 122.820 0.164 0.000 1.883 1051 A HA -0.213 4.103 4.320 -0.006 0.000 0.217 1051 A C 2.247 179.832 177.584 0.002 0.000 1.186 1051 A CA 2.225 54.327 52.037 0.108 0.000 0.624 1051 A CB -1.158 17.930 19.000 0.146 0.000 0.822 1051 A HN 0.575 nan 8.150 nan 0.000 0.444 1052 I N -0.259 120.310 120.570 -0.001 0.000 2.142 1052 I HA -0.235 3.931 4.170 -0.006 0.000 0.240 1052 I C 2.026 178.089 176.117 -0.090 0.000 1.078 1052 I CA 1.555 62.833 61.300 -0.037 0.000 1.343 1052 I CB -0.663 37.309 38.000 -0.046 0.000 1.046 1052 I HN 0.241 nan 8.210 nan 0.000 0.405 1053 D N 1.319 121.640 120.400 -0.131 0.000 2.116 1053 D HA -0.202 4.434 4.640 -0.006 0.000 0.193 1053 D C 2.253 178.417 176.300 -0.226 0.000 0.998 1053 D CA 1.799 55.695 54.000 -0.173 0.000 0.836 1053 D CB -0.312 40.371 40.800 -0.194 0.000 0.951 1053 D HN 0.377 nan 8.370 nan 0.000 0.449 1054 A N 0.687 123.290 122.820 -0.362 0.000 1.908 1054 A HA -0.151 4.165 4.320 -0.006 0.000 0.218 1054 A C 2.447 179.954 177.584 -0.129 0.000 1.181 1054 A CA 1.055 52.901 52.037 -0.318 0.000 0.627 1054 A CB -0.827 17.936 19.000 -0.396 0.000 0.818 1054 A HN 0.222 nan 8.150 nan 0.000 0.445 1055 L N -0.686 120.491 121.223 -0.078 0.000 2.056 1055 L HA -0.144 4.192 4.340 -0.006 0.000 0.207 1055 L C 2.490 179.345 176.870 -0.026 0.000 1.078 1055 L CA 1.068 55.896 54.840 -0.020 0.000 0.749 1055 L CB -0.423 41.643 42.059 0.012 0.000 0.901 1055 L HN 0.402 nan 8.230 nan 0.000 0.433 1056 I N -0.194 120.348 120.570 -0.047 0.000 2.163 1056 I HA -0.322 3.845 4.170 -0.006 0.000 0.243 1056 I C 2.558 178.653 176.117 -0.038 0.000 1.085 1056 I CA 1.333 62.609 61.300 -0.041 0.000 1.347 1056 I CB -0.214 37.752 38.000 -0.056 0.000 1.044 1056 I HN 0.270 nan 8.210 nan 0.000 0.408 1057 E N 1.351 121.517 120.200 -0.056 0.000 2.110 1057 E HA -0.233 4.113 4.350 -0.006 0.000 0.193 1057 E C 1.942 178.526 176.600 -0.025 0.000 0.988 1057 E CA 1.493 57.866 56.400 -0.045 0.000 0.804 1057 E CB -0.062 29.600 29.700 -0.063 0.000 0.745 1057 E HN 0.435 nan 8.360 nan 0.000 0.458 1058 E N -0.914 119.273 120.200 -0.021 0.000 2.347 1058 E HA -0.077 4.270 4.350 -0.006 0.000 0.196 1058 E C -0.225 176.378 176.600 0.006 0.000 1.008 1058 E CA 0.094 56.492 56.400 -0.002 0.000 0.852 1058 E CB 0.149 29.854 29.700 0.009 0.000 0.783 1058 E HN 0.125 nan 8.360 nan 0.000 0.505 1059 L N 1.543 122.768 121.223 0.003 0.000 2.449 1059 L HA 0.164 4.500 4.340 -0.006 0.000 0.255 1059 L C 0.061 176.933 176.870 0.004 0.000 1.167 1059 L CA 0.405 55.251 54.840 0.010 0.000 1.090 1059 L CB 0.332 42.401 42.059 0.017 0.000 1.385 1059 L HN -0.121 nan 8.230 nan 0.000 0.411 1060 R N 1.216 121.718 120.500 0.003 0.000 2.579 1060 R HA 0.379 4.715 4.340 -0.006 0.000 0.386 1060 R C -0.685 175.617 176.300 0.003 0.000 1.065 1060 R CA -0.199 55.901 56.100 0.000 0.000 1.143 1060 R CB 0.481 30.778 30.300 -0.004 0.000 1.357 1060 R HN 0.393 nan 8.270 nan 0.000 0.644 1061 N N 0.000 118.704 118.700 0.006 0.000 1.763 1061 N HA 0.000 4.736 4.740 -0.006 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.007 0.000 0.885 1061 N CB 0.000 38.493 38.487 0.010 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667