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 1n6d_1_B 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 0.000 176.276 176.300 -0.039 0.000 1.140 39 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 39 M CB 0.000 32.573 32.600 -0.044 0.000 1.302 40 P HA 0.366 nan 4.420 nan 0.000 0.276 40 P C -0.938 176.329 177.300 -0.055 0.000 1.261 40 P CA -0.175 62.889 63.100 -0.060 0.000 0.800 40 P CB 0.908 32.566 31.700 -0.071 0.000 1.066 41 N N -0.470 118.186 118.700 -0.073 0.000 2.495 41 N HA 0.455 5.409 4.740 0.357 0.000 0.294 41 N C -0.752 174.722 175.510 -0.060 0.000 1.276 41 N CA -0.455 52.561 53.050 -0.055 0.000 0.973 41 N CB -0.075 38.364 38.487 -0.080 0.000 1.143 41 N HN 0.281 nan 8.380 nan 0.000 0.589 42 L N 1.139 122.343 121.223 -0.032 0.000 2.301 42 L HA 0.469 5.023 4.340 0.357 0.000 0.278 42 L C -1.477 175.387 176.870 -0.011 0.000 1.022 42 L CA -0.221 54.597 54.840 -0.037 0.000 0.854 42 L CB 0.040 42.087 42.059 -0.019 0.000 1.226 42 L HN 0.352 nan 8.230 nan 0.000 0.429 43 L N 5.772 126.966 121.223 -0.048 0.000 2.399 43 L HA 0.728 5.283 4.340 0.357 0.000 0.266 43 L C -0.719 176.167 176.870 0.026 0.000 1.114 43 L CA -0.849 53.987 54.840 -0.006 0.000 0.804 43 L CB 1.247 43.170 42.059 -0.226 0.000 1.146 43 L HN 0.567 nan 8.230 nan 0.000 0.451 44 L N -1.157 120.137 121.223 0.119 0.000 2.947 44 L HA 0.361 4.915 4.340 0.357 0.000 0.267 44 L C -0.659 176.249 176.870 0.062 0.000 1.004 44 L CA -1.031 53.858 54.840 0.080 0.000 0.937 44 L CB 1.317 43.414 42.059 0.063 0.000 1.496 44 L HN 0.613 nan 8.230 nan 0.000 0.409 45 N N -0.556 118.100 118.700 -0.073 0.000 2.667 45 N HA -0.142 4.812 4.740 0.357 0.000 0.263 45 N C -2.536 172.881 175.510 -0.155 0.000 1.038 45 N CA 0.530 53.245 53.050 -0.557 0.000 0.749 45 N CB -1.033 36.971 38.487 -0.804 0.000 0.892 45 N HN 0.722 nan 8.380 nan 0.000 0.546 46 P HA 0.339 nan 4.420 nan 0.000 0.281 46 P C -0.723 176.825 177.300 0.414 0.000 1.281 46 P CA 0.179 63.465 63.100 0.311 0.000 0.811 46 P CB 1.362 33.210 31.700 0.247 0.000 1.154 47 D N -0.502 120.132 120.400 0.391 0.000 2.756 47 D HA 0.526 5.380 4.640 0.357 0.000 0.226 47 D C -1.386 175.227 176.300 0.521 0.000 1.186 47 D CA -0.616 53.648 54.000 0.440 0.000 0.845 47 D CB 1.652 42.698 40.800 0.409 0.000 1.610 47 D HN 0.249 nan 8.370 nan 0.000 0.465 48 I N 1.806 122.653 120.570 0.462 0.000 2.846 48 I HA 0.603 4.987 4.170 0.357 0.000 0.307 48 I C -1.571 174.651 176.117 0.174 0.000 1.053 48 I CA -0.783 60.719 61.300 0.336 0.000 1.050 48 I CB 1.751 39.868 38.000 0.196 0.000 1.239 48 I HN 0.540 nan 8.210 nan 0.000 0.439 49 H N 4.668 123.618 119.070 -0.201 0.000 3.288 49 H HA 0.438 5.209 4.556 0.357 0.000 0.337 49 H C -0.119 175.043 175.328 -0.278 0.000 1.363 49 H CA 0.470 56.252 56.048 -0.443 0.000 1.641 49 H CB 0.564 29.607 29.762 -1.199 0.000 2.077 49 H HN 0.951 nan 8.280 nan 0.000 0.522 50 G N 3.686 112.264 108.800 -0.370 0.000 2.565 50 G HA2 -0.377 3.797 3.960 0.357 0.000 0.295 50 G HA3 -0.377 3.797 3.960 0.357 0.000 0.295 50 G C 0.701 175.557 174.900 -0.073 0.000 1.165 50 G CA 0.647 45.614 45.100 -0.221 0.000 0.977 50 G HN 0.571 nan 8.290 nan 0.000 0.546 51 D N 1.474 121.865 120.400 -0.016 0.000 2.327 51 D HA 0.103 4.957 4.640 0.357 0.000 0.205 51 D C 1.563 177.926 176.300 0.105 0.000 0.989 51 D CA 0.315 54.340 54.000 0.041 0.000 0.873 51 D CB 0.102 40.928 40.800 0.044 0.000 0.955 51 D HN 0.390 nan 8.370 nan 0.000 0.515 52 R N 0.649 121.216 120.500 0.111 0.000 2.539 52 R HA 0.512 5.066 4.340 0.357 0.000 0.275 52 R C 0.032 176.509 176.300 0.295 0.000 1.077 52 R CA 0.096 56.324 56.100 0.215 0.000 1.097 52 R CB 1.452 31.890 30.300 0.231 0.000 1.018 52 R HN -0.047 nan 8.270 nan 0.000 0.483 53 I N 4.664 125.487 120.570 0.421 0.000 2.531 53 I HA 0.237 4.621 4.170 0.357 0.000 0.283 53 I C 0.005 176.451 176.117 0.547 0.000 1.083 53 I CA -0.633 60.948 61.300 0.469 0.000 1.071 53 I CB 1.583 39.765 38.000 0.303 0.000 1.210 53 I HN 0.530 nan 8.210 nan 0.000 0.450 54 I N 4.205 125.080 120.570 0.509 0.000 2.499 54 I HA 0.764 5.148 4.170 0.357 0.000 0.296 54 I C -0.798 175.533 176.117 0.355 0.000 0.992 54 I CA -0.211 61.254 61.300 0.275 0.000 1.297 54 I CB 1.347 39.294 38.000 -0.088 0.000 1.410 54 I HN 0.501 nan 8.210 nan 0.000 0.507 55 F N 2.673 122.705 119.950 0.137 0.000 2.741 55 F HA 0.767 5.508 4.527 0.357 0.000 0.313 55 F C -1.751 174.126 175.800 0.129 0.000 1.153 55 F CA -1.185 56.874 58.000 0.100 0.000 0.931 55 F CB 0.914 39.950 39.000 0.061 0.000 1.335 55 F HN 0.233 nan 8.300 nan 0.000 0.460 56 V N 1.565 121.583 119.914 0.174 0.000 2.472 56 V HA 0.613 4.948 4.120 0.357 0.000 0.290 56 V C -0.649 175.573 176.094 0.213 0.000 1.037 56 V CA -0.603 61.772 62.300 0.125 0.000 0.908 56 V CB 1.216 33.121 31.823 0.136 0.000 0.985 56 V HN 1.067 nan 8.190 nan 0.000 0.454 57 C N 4.793 124.205 119.300 0.186 0.000 2.642 57 C HA 0.538 5.212 4.460 0.357 0.000 0.344 57 C C 0.559 175.721 174.990 0.287 0.000 1.110 57 C CA -0.539 58.559 59.018 0.134 0.000 1.298 57 C CB -0.189 27.394 27.740 -0.261 0.000 1.827 57 C HN 1.180 nan 8.230 nan 0.000 0.467 58 C N 6.094 125.529 119.300 0.225 0.000 4.056 58 C HA -0.092 4.582 4.460 0.357 0.000 0.302 58 C C 0.795 175.912 174.990 0.212 0.000 1.356 58 C CA 1.477 60.634 59.018 0.232 0.000 2.074 58 C CB -2.768 25.123 27.740 0.251 0.000 1.328 58 C HN 1.171 nan 8.230 nan 0.000 0.684 59 D N -1.884 118.640 120.400 0.206 0.000 2.808 59 D HA -0.155 4.699 4.640 0.357 0.000 0.195 59 D C 0.000 176.331 176.300 0.051 0.000 1.057 59 D CA 2.353 56.416 54.000 0.105 0.000 1.026 59 D CB -0.650 40.193 40.800 0.072 0.000 1.115 59 D HN 0.729 nan 8.370 nan 0.000 0.421 60 D N -0.233 120.229 120.400 0.103 0.000 2.387 60 D HA 0.464 5.319 4.640 0.357 0.000 0.255 60 D C 0.459 176.768 176.300 0.016 0.000 1.081 60 D CA -0.538 53.459 54.000 -0.004 0.000 0.994 60 D CB 0.981 41.728 40.800 -0.088 0.000 1.127 60 D HN 0.006 nan 8.370 nan 0.000 0.513 61 L N 1.214 122.331 121.223 -0.177 0.000 2.289 61 L HA 0.372 4.926 4.340 0.357 0.000 0.285 61 L C -1.225 175.441 176.870 -0.341 0.000 1.049 61 L CA -0.519 54.203 54.840 -0.196 0.000 0.804 61 L CB 0.630 42.538 42.059 -0.253 0.000 1.195 61 L HN 0.341 nan 8.230 nan 0.000 0.428 62 W N 3.152 124.103 121.300 -0.582 0.000 2.820 62 W HA 0.522 5.396 4.660 0.357 0.000 0.350 62 W C -0.396 175.852 176.519 -0.452 0.000 1.116 62 W CA -0.482 56.499 57.345 -0.606 0.000 1.146 62 W CB 1.236 30.130 29.460 -0.944 0.000 1.433 62 W HN 0.341 nan 8.180 nan 0.000 0.561 63 E N 1.508 121.786 120.200 0.130 0.000 2.248 63 E HA 0.242 4.806 4.350 0.357 0.000 0.267 63 E C -1.549 175.296 176.600 0.409 0.000 0.877 63 E CA -0.585 55.966 56.400 0.251 0.000 0.759 63 E CB 1.468 31.273 29.700 0.175 0.000 1.182 63 E HN 0.479 nan 8.360 nan 0.000 0.418 64 H N 3.131 122.429 119.070 0.380 0.000 2.600 64 H HA 0.284 5.054 4.556 0.357 0.000 0.357 64 H C -1.722 173.732 175.328 0.210 0.000 1.106 64 H CA -0.645 55.587 56.048 0.306 0.000 1.193 64 H CB 1.956 31.905 29.762 0.312 0.000 1.594 64 H HN 0.622 nan 8.280 nan 0.000 0.526 65 D N 4.988 125.403 120.400 0.025 0.000 2.460 65 D HA 0.170 5.024 4.640 0.357 0.000 0.232 65 D C 1.239 177.641 176.300 0.170 0.000 1.079 65 D CA -0.465 53.609 54.000 0.124 0.000 0.864 65 D CB 0.593 41.413 40.800 0.034 0.000 1.048 65 D HN 0.538 nan 8.370 nan 0.000 0.523 66 L N 2.985 124.387 121.223 0.297 0.000 2.051 66 L HA -0.229 4.325 4.340 0.357 0.000 0.214 66 L C 2.411 179.356 176.870 0.124 0.000 1.076 66 L CA 1.221 56.194 54.840 0.223 0.000 0.758 66 L CB -0.496 41.632 42.059 0.115 0.000 0.890 66 L HN 0.470 nan 8.230 nan 0.000 0.433 67 K N 0.568 121.017 120.400 0.082 0.000 1.969 67 K HA -0.242 4.292 4.320 0.357 0.000 0.223 67 K C 2.371 178.993 176.600 0.037 0.000 1.048 67 K CA 2.351 58.666 56.287 0.047 0.000 0.983 67 K CB -0.223 32.299 32.500 0.036 0.000 0.738 67 K HN 0.357 nan 8.250 nan 0.000 0.446 68 S N -1.030 114.683 115.700 0.021 0.000 2.423 68 S HA 0.005 4.689 4.470 0.357 0.000 0.231 68 S C 1.478 176.073 174.600 -0.009 0.000 1.014 68 S CA 1.094 59.296 58.200 0.002 0.000 0.965 68 S CB -0.231 62.963 63.200 -0.011 0.000 0.785 68 S HN 0.724 nan 8.310 nan 0.000 0.495 69 G N 1.052 109.841 108.800 -0.019 0.000 2.143 69 G HA2 -0.268 3.906 3.960 0.357 0.000 0.249 69 G HA3 -0.268 3.906 3.960 0.357 0.000 0.249 69 G C 0.166 174.954 174.900 -0.186 0.000 0.981 69 G CA 0.403 45.500 45.100 -0.005 0.000 0.665 69 G HN 1.422 nan 8.290 nan 0.000 0.528 70 S N -0.678 114.865 115.700 -0.262 0.000 2.672 70 S HA 0.867 5.551 4.470 0.357 0.000 0.276 70 S C -0.038 174.372 174.600 -0.317 0.000 1.207 70 S CA 0.474 58.557 58.200 -0.196 0.000 1.002 70 S CB 2.443 65.600 63.200 -0.071 0.000 0.998 70 S HN 0.780 nan 8.310 nan 0.000 0.542 71 T N 1.114 115.641 114.554 -0.045 0.000 2.903 71 T HA 0.801 5.365 4.350 0.357 0.000 0.299 71 T C -0.807 174.057 174.700 0.274 0.000 1.093 71 T CA -1.035 61.159 62.100 0.157 0.000 1.002 71 T CB 1.530 70.592 68.868 0.324 0.000 1.127 71 T HN 0.980 nan 8.240 nan 0.000 0.488 72 R N 0.065 120.779 120.500 0.355 0.000 2.663 72 R HA 0.564 5.118 4.340 0.357 0.000 0.267 72 R C -1.635 174.617 176.300 -0.081 0.000 1.038 72 R CA -1.214 54.990 56.100 0.173 0.000 0.886 72 R CB 1.610 31.938 30.300 0.045 0.000 1.249 72 R HN 0.518 nan 8.270 nan 0.000 0.463 73 K N 3.227 123.246 120.400 -0.635 0.000 2.285 73 K HA 0.222 4.756 4.320 0.357 0.000 0.286 73 K C 0.792 177.064 176.600 -0.546 0.000 1.072 73 K CA -0.573 55.060 56.287 -1.090 0.000 0.913 73 K CB 0.629 32.261 32.500 -1.446 0.000 1.067 73 K HN 0.740 nan 8.250 nan 0.000 0.479 74 I N 1.626 121.917 120.570 -0.464 0.000 3.419 74 I HA 0.126 4.510 4.170 0.357 0.000 0.286 74 I C 0.116 175.941 176.117 -0.486 0.000 1.268 74 I CA -0.303 60.768 61.300 -0.381 0.000 1.414 74 I CB 0.551 38.304 38.000 -0.412 0.000 1.074 74 I HN 0.230 nan 8.210 nan 0.000 0.457 75 V N 0.986 120.614 119.914 -0.478 0.000 2.950 75 V HA 0.683 5.017 4.120 0.357 0.000 0.295 75 V C -1.019 174.888 176.094 -0.312 0.000 1.297 75 V CA 0.371 62.448 62.300 -0.371 0.000 0.962 75 V CB 2.198 33.760 31.823 -0.435 0.000 1.081 75 V HN 0.543 nan 8.190 nan 0.000 0.432 76 S N 3.839 119.404 115.700 -0.224 0.000 2.643 76 S HA 0.603 5.287 4.470 0.357 0.000 0.270 76 S C -0.111 174.406 174.600 -0.138 0.000 1.166 76 S CA 0.058 58.146 58.200 -0.187 0.000 0.815 76 S CB 1.509 64.592 63.200 -0.196 0.000 1.139 76 S HN 2.138 nan 8.310 nan 0.000 0.472 77 N N -0.723 117.910 118.700 -0.111 0.000 2.747 77 N HA -0.130 4.824 4.740 0.357 0.000 0.249 77 N C 0.013 175.454 175.510 -0.114 0.000 1.107 77 N CA 1.133 54.129 53.050 -0.091 0.000 0.707 77 N CB -1.739 36.705 38.487 -0.072 0.000 1.054 77 N HN 0.664 nan 8.380 nan 0.000 0.555 78 L N -2.009 119.123 121.223 -0.152 0.000 2.638 78 L HA 0.419 4.973 4.340 0.357 0.000 0.232 78 L C 1.506 178.270 176.870 -0.176 0.000 1.099 78 L CA 0.555 55.265 54.840 -0.216 0.000 0.883 78 L CB 0.090 41.943 42.059 -0.345 0.000 1.136 78 L HN 0.487 nan 8.230 nan 0.000 0.492 79 G N -0.328 108.395 108.800 -0.127 0.000 2.297 79 G HA2 -0.139 4.035 3.960 0.357 0.000 0.209 79 G HA3 -0.139 4.035 3.960 0.357 0.000 0.209 79 G C -1.008 173.840 174.900 -0.087 0.000 1.267 79 G CA -0.572 44.469 45.100 -0.099 0.000 1.127 79 G HN -0.259 nan 8.290 nan 0.000 0.498 80 V N 1.308 121.165 119.914 -0.096 0.000 2.385 80 V HA 0.542 4.876 4.120 0.357 0.000 0.269 80 V C 0.632 176.608 176.094 -0.198 0.000 1.043 80 V CA -0.168 62.031 62.300 -0.168 0.000 0.906 80 V CB 0.829 32.497 31.823 -0.258 0.000 0.995 80 V HN 0.568 nan 8.190 nan 0.000 0.467 81 I N 5.010 125.480 120.570 -0.167 0.000 2.359 81 I HA 0.376 4.760 4.170 0.357 0.000 0.294 81 I C 0.912 176.970 176.117 -0.099 0.000 0.987 81 I CA -0.166 61.069 61.300 -0.108 0.000 1.225 81 I CB 1.408 39.369 38.000 -0.065 0.000 1.366 81 I HN 0.845 nan 8.210 nan 0.000 0.466 82 N N 3.069 121.746 118.700 -0.038 0.000 2.193 82 N HA 0.119 5.073 4.740 0.357 0.000 0.210 82 N C -0.051 175.530 175.510 0.118 0.000 1.215 82 N CA -0.422 52.671 53.050 0.072 0.000 0.901 82 N CB 0.514 39.073 38.487 0.120 0.000 1.060 82 N HN 0.498 nan 8.380 nan 0.000 0.508 83 N N 0.350 119.124 118.700 0.124 0.000 2.336 83 N HA 0.596 5.550 4.740 0.357 0.000 0.290 83 N C -2.116 173.488 175.510 0.157 0.000 1.058 83 N CA -0.462 52.714 53.050 0.211 0.000 0.865 83 N CB 2.343 40.992 38.487 0.271 0.000 1.581 83 N HN 0.318 nan 8.380 nan 0.000 0.480 84 A N 2.712 125.637 122.820 0.177 0.000 2.381 84 A HA 0.786 5.320 4.320 0.357 0.000 0.299 84 A C -1.125 176.535 177.584 0.126 0.000 1.049 84 A CA -0.710 51.386 52.037 0.098 0.000 0.715 84 A CB 1.135 20.134 19.000 -0.000 0.000 1.222 84 A HN 0.499 nan 8.150 nan 0.000 0.428 85 R N 1.481 122.054 120.500 0.122 0.000 2.561 85 R HA 0.423 4.978 4.340 0.357 0.000 0.297 85 R C -1.459 174.916 176.300 0.125 0.000 0.969 85 R CA -0.561 55.653 56.100 0.191 0.000 0.879 85 R CB 1.171 31.661 30.300 0.317 0.000 1.178 85 R HN 0.689 nan 8.270 nan 0.000 0.445 86 F N 2.364 122.386 119.950 0.120 0.000 2.495 86 F HA 0.168 4.910 4.527 0.357 0.000 0.365 86 F C 1.032 176.622 175.800 -0.349 0.000 1.090 86 F CA 0.134 58.122 58.000 -0.020 0.000 1.235 86 F CB 0.472 39.456 39.000 -0.027 0.000 1.119 86 F HN 0.362 nan 8.300 nan 0.000 0.562 87 F N 5.292 125.135 119.950 -0.179 0.000 2.426 87 F HA 0.122 4.863 4.527 0.357 0.000 0.309 87 F C -0.860 174.620 175.800 -0.533 0.000 1.246 87 F CA -1.180 56.466 58.000 -0.590 0.000 1.229 87 F CB 0.058 38.904 39.000 -0.258 0.000 1.255 87 F HN 0.325 nan 8.300 nan 0.000 0.558 88 P HA -0.220 nan 4.420 nan 0.000 0.213 88 P C 0.816 178.096 177.300 -0.033 0.000 1.170 88 P CA 2.121 65.146 63.100 -0.125 0.000 0.898 88 P CB -0.300 31.379 31.700 -0.035 0.000 0.787 89 D N -0.701 119.687 120.400 -0.020 0.000 2.389 89 D HA -0.083 4.771 4.640 0.357 0.000 0.221 89 D C 1.576 177.791 176.300 -0.142 0.000 0.974 89 D CA 1.367 55.347 54.000 -0.033 0.000 0.923 89 D CB -1.395 39.379 40.800 -0.043 0.000 0.892 89 D HN 0.415 nan 8.370 nan 0.000 0.518 90 G N 0.255 108.850 108.800 -0.343 0.000 2.189 90 G HA2 -0.399 3.775 3.960 0.357 0.000 0.267 90 G HA3 -0.399 3.775 3.960 0.357 0.000 0.267 90 G C 1.310 176.111 174.900 -0.165 0.000 0.975 90 G CA 0.543 45.176 45.100 -0.777 0.000 0.644 90 G HN 0.383 nan 8.290 nan 0.000 0.537 91 R N 0.245 120.707 120.500 -0.064 0.000 2.048 91 R HA 0.105 4.659 4.340 0.357 0.000 0.224 91 R C 1.358 177.659 176.300 0.002 0.000 1.163 91 R CA 1.228 57.311 56.100 -0.028 0.000 0.956 91 R CB -0.259 29.985 30.300 -0.093 0.000 0.849 91 R HN 0.470 nan 8.270 nan 0.000 0.435 92 K N 0.617 120.970 120.400 -0.078 0.000 2.090 92 K HA 0.482 5.016 4.320 0.357 0.000 0.250 92 K C -0.083 176.687 176.600 0.283 0.000 1.004 92 K CA -0.244 55.979 56.287 -0.107 0.000 0.919 92 K CB 1.234 33.317 32.500 -0.694 0.000 1.045 92 K HN -0.026 nan 8.250 nan 0.000 0.471 93 I N 0.874 121.637 120.570 0.322 0.000 2.569 93 I HA 0.294 4.678 4.170 0.357 0.000 0.290 93 I C -0.939 175.427 176.117 0.415 0.000 1.088 93 I CA -1.011 60.488 61.300 0.331 0.000 1.047 93 I CB 2.164 40.241 38.000 0.129 0.000 1.237 93 I HN 0.616 nan 8.210 nan 0.000 0.421 94 A N 7.579 130.624 122.820 0.375 0.000 2.289 94 A HA 0.837 5.371 4.320 0.357 0.000 0.298 94 A C -0.620 177.131 177.584 0.279 0.000 1.208 94 A CA -0.238 52.059 52.037 0.434 0.000 0.845 94 A CB 0.324 19.516 19.000 0.320 0.000 1.125 94 A HN 0.653 nan 8.150 nan 0.000 0.517 95 I N 1.894 122.638 120.570 0.290 0.000 2.509 95 I HA 0.446 4.831 4.170 0.357 0.000 0.293 95 I C 0.308 176.524 176.117 0.165 0.000 1.020 95 I CA -0.520 60.890 61.300 0.182 0.000 1.088 95 I CB 2.043 40.124 38.000 0.136 0.000 1.267 95 I HN 0.760 nan 8.210 nan 0.000 0.430 96 R N 5.865 126.433 120.500 0.112 0.000 2.265 96 R HA 0.691 5.245 4.340 0.357 0.000 0.328 96 R C -1.718 174.616 176.300 0.055 0.000 0.969 96 R CA -0.387 55.764 56.100 0.085 0.000 0.832 96 R CB 1.695 32.043 30.300 0.079 0.000 1.139 96 R HN 0.528 nan 8.270 nan 0.000 0.457 97 V N 6.155 126.111 119.914 0.070 0.000 2.680 97 V HA 0.524 4.859 4.120 0.357 0.000 0.309 97 V C -0.757 175.424 176.094 0.145 0.000 1.052 97 V CA -0.854 61.480 62.300 0.057 0.000 0.908 97 V CB 2.053 33.886 31.823 0.017 0.000 1.001 97 V HN 0.884 nan 8.190 nan 0.000 0.431 98 M N 6.245 125.882 119.600 0.062 0.000 2.472 98 M HA 0.676 5.370 4.480 0.357 0.000 0.331 98 M C -0.267 176.062 176.300 0.047 0.000 1.170 98 M CA -0.382 54.965 55.300 0.078 0.000 1.009 98 M CB 2.108 34.672 32.600 -0.060 0.000 1.672 98 M HN 0.582 nan 8.290 nan 0.000 0.453 99 R N 0.165 120.690 120.500 0.043 0.000 2.855 99 R HA 0.870 5.424 4.340 0.357 0.000 0.266 99 R C -0.885 175.375 176.300 -0.066 0.000 1.034 99 R CA -0.833 55.195 56.100 -0.120 0.000 0.944 99 R CB 2.438 32.449 30.300 -0.481 0.000 1.219 99 R HN 0.955 nan 8.270 nan 0.000 0.474 100 G N -0.011 108.743 108.800 -0.077 0.000 2.697 100 G HA2 -0.223 3.952 3.960 0.357 0.000 0.686 100 G HA3 -0.223 3.952 3.960 0.357 0.000 0.686 100 G C 0.297 175.205 174.900 0.015 0.000 1.179 100 G CA -0.079 45.002 45.100 -0.031 0.000 0.765 100 G HN 0.512 nan 8.290 nan 0.000 0.649 101 S N -0.206 115.514 115.700 0.034 0.000 2.380 101 S HA -0.111 4.573 4.470 0.357 0.000 0.229 101 S C 2.075 176.781 174.600 0.176 0.000 1.043 101 S CA 2.555 60.810 58.200 0.092 0.000 1.038 101 S CB -0.166 63.074 63.200 0.066 0.000 0.872 101 S HN 1.342 nan 8.310 nan 0.000 0.456 102 S N 0.839 116.601 115.700 0.102 0.000 2.574 102 S HA 0.447 5.132 4.470 0.357 0.000 0.242 102 S C 0.209 174.730 174.600 -0.131 0.000 0.982 102 S CA -0.257 57.983 58.200 0.066 0.000 0.977 102 S CB -0.062 63.165 63.200 0.045 0.000 0.814 102 S HN 0.563 nan 8.310 nan 0.000 0.464 103 L N 1.388 122.557 121.223 -0.090 0.000 3.737 103 L HA -0.308 4.246 4.340 0.357 0.000 0.418 103 L C 0.912 177.710 176.870 -0.119 0.000 1.216 103 L CA 0.529 55.288 54.840 -0.135 0.000 0.915 103 L CB -2.260 39.630 42.059 -0.281 0.000 1.834 103 L HN 0.508 nan 8.230 nan 0.000 0.943 104 N N -0.971 117.685 118.700 -0.072 0.000 2.515 104 N HA -0.008 4.946 4.740 0.357 0.000 0.185 104 N C 0.545 176.038 175.510 -0.028 0.000 1.109 104 N CA 0.830 53.841 53.050 -0.065 0.000 0.903 104 N CB 0.197 38.658 38.487 -0.045 0.000 0.969 104 N HN 0.597 nan 8.380 nan 0.000 0.450 105 T N -3.711 110.855 114.554 0.019 0.000 2.906 105 T HA 0.861 5.426 4.350 0.357 0.000 0.295 105 T C -0.845 173.960 174.700 0.175 0.000 1.075 105 T CA -0.778 61.381 62.100 0.098 0.000 1.005 105 T CB 2.149 71.117 68.868 0.167 0.000 1.136 105 T HN 0.216 nan 8.240 nan 0.000 0.498 106 A N 1.131 124.046 122.820 0.157 0.000 2.612 106 A HA 0.816 5.351 4.320 0.357 0.000 0.293 106 A C -1.889 175.561 177.584 -0.224 0.000 1.075 106 A CA -0.724 51.365 52.037 0.088 0.000 0.680 106 A CB 1.764 20.783 19.000 0.031 0.000 1.279 106 A HN 0.823 nan 8.150 nan 0.000 0.411 107 D N -0.380 119.761 120.400 -0.431 0.000 2.622 107 D HA 0.510 5.364 4.640 0.357 0.000 0.255 107 D C -1.228 174.907 176.300 -0.275 0.000 1.246 107 D CA -0.249 53.399 54.000 -0.588 0.000 0.795 107 D CB 1.619 41.642 40.800 -1.295 0.000 1.369 107 D HN 0.493 nan 8.370 nan 0.000 0.425 108 L N 1.228 122.302 121.223 -0.249 0.000 2.325 108 L HA 0.510 5.064 4.340 0.357 0.000 0.279 108 L C -0.779 176.024 176.870 -0.111 0.000 1.054 108 L CA -0.654 54.147 54.840 -0.065 0.000 0.804 108 L CB 0.732 42.767 42.059 -0.040 0.000 1.200 108 L HN 0.272 nan 8.230 nan 0.000 0.436 109 Y N 1.157 121.436 120.300 -0.035 0.000 2.536 109 Y HA 0.511 5.275 4.550 0.357 0.000 0.347 109 Y C -0.388 175.683 175.900 0.285 0.000 1.000 109 Y CA -0.640 57.480 58.100 0.032 0.000 1.051 109 Y CB 2.136 40.633 38.460 0.062 0.000 1.259 109 Y HN 0.296 nan 8.280 nan 0.000 0.468 110 F N 1.478 121.580 119.950 0.253 0.000 2.458 110 F HA 0.392 5.133 4.527 0.357 0.000 0.330 110 F C -1.080 174.890 175.800 0.283 0.000 1.082 110 F CA -1.083 57.068 58.000 0.252 0.000 0.995 110 F CB 1.724 40.811 39.000 0.145 0.000 1.170 110 F HN 0.407 nan 8.300 nan 0.000 0.478 111 Y N 3.384 123.849 120.300 0.276 0.000 2.354 111 Y HA 0.280 5.045 4.550 0.357 0.000 0.330 111 Y C -1.079 174.844 175.900 0.038 0.000 1.011 111 Y CA -1.094 57.086 58.100 0.134 0.000 1.099 111 Y CB 0.978 39.493 38.460 0.091 0.000 1.179 111 Y HN 0.426 nan 8.280 nan 0.000 0.442 112 N N 3.787 122.113 118.700 -0.623 0.000 2.527 112 N HA 0.207 5.161 4.740 0.357 0.000 0.236 112 N C 0.772 175.829 175.510 -0.754 0.000 0.999 112 N CA 0.454 53.195 53.050 -0.514 0.000 0.935 112 N CB 1.556 39.864 38.487 -0.297 0.000 1.132 112 N HN 1.094 nan 8.380 nan 0.000 0.511 113 G N 1.993 110.470 108.800 -0.539 0.000 2.708 113 G HA2 -0.167 4.007 3.960 0.357 0.000 0.210 113 G HA3 -0.167 4.007 3.960 0.357 0.000 0.210 113 G C 1.052 175.865 174.900 -0.146 0.000 1.141 113 G CA 0.149 45.083 45.100 -0.277 0.000 0.788 113 G HN 0.630 nan 8.290 nan 0.000 0.531 114 E N 1.378 121.476 120.200 -0.170 0.000 2.042 114 E HA -0.094 4.470 4.350 0.357 0.000 0.189 114 E C 1.880 178.423 176.600 -0.095 0.000 0.974 114 E CA 1.275 57.614 56.400 -0.102 0.000 0.806 114 E CB 0.074 29.715 29.700 -0.098 0.000 0.769 114 E HN 0.510 nan 8.360 nan 0.000 0.451 115 N N -1.222 117.402 118.700 -0.127 0.000 2.184 115 N HA 0.118 5.073 4.740 0.357 0.000 0.206 115 N C 0.843 176.296 175.510 -0.096 0.000 1.151 115 N CA 0.715 53.711 53.050 -0.090 0.000 0.878 115 N CB 0.821 39.263 38.487 -0.074 0.000 1.014 115 N HN 0.197 nan 8.380 nan 0.000 0.512 116 G N 0.207 108.897 108.800 -0.183 0.000 2.198 116 G HA2 -0.331 3.843 3.960 0.357 0.000 0.257 116 G HA3 -0.331 3.843 3.960 0.357 0.000 0.257 116 G C -0.457 174.391 174.900 -0.087 0.000 1.042 116 G CA 0.263 45.279 45.100 -0.140 0.000 0.791 116 G HN 0.643 nan 8.290 nan 0.000 0.502 117 E N -0.579 119.527 120.200 -0.157 0.000 2.343 117 E HA 0.596 5.160 4.350 0.357 0.000 0.269 117 E C -0.341 176.279 176.600 0.033 0.000 1.047 117 E CA -0.849 55.527 56.400 -0.041 0.000 0.874 117 E CB 0.711 30.385 29.700 -0.043 0.000 1.033 117 E HN 0.357 nan 8.360 nan 0.000 0.409 118 I N 3.303 123.955 120.570 0.137 0.000 2.608 118 I HA 0.406 4.790 4.170 0.357 0.000 0.295 118 I C -1.538 174.721 176.117 0.236 0.000 1.049 118 I CA -0.440 61.013 61.300 0.255 0.000 1.063 118 I CB 1.588 39.744 38.000 0.259 0.000 1.248 118 I HN 0.511 nan 8.210 nan 0.000 0.424 119 K N 6.358 126.928 120.400 0.284 0.000 2.571 119 K HA 0.414 4.948 4.320 0.357 0.000 0.252 119 K C -1.200 175.304 176.600 -0.160 0.000 0.956 119 K CA -0.797 55.558 56.287 0.112 0.000 0.822 119 K CB 1.459 34.007 32.500 0.079 0.000 1.286 119 K HN 0.717 nan 8.250 nan 0.000 0.439 120 R N 5.296 125.469 120.500 -0.544 0.000 2.401 120 R HA 0.135 4.689 4.340 0.357 0.000 0.299 120 R C 0.587 176.475 176.300 -0.687 0.000 1.064 120 R CA -0.240 55.096 56.100 -1.273 0.000 1.000 120 R CB 0.437 29.976 30.300 -1.268 0.000 0.973 120 R HN 0.604 nan 8.270 nan 0.000 0.438 121 I N 2.391 122.541 120.570 -0.700 0.000 2.810 121 I HA -0.024 4.360 4.170 0.357 0.000 0.262 121 I C 1.004 176.914 176.117 -0.345 0.000 1.131 121 I CA 0.945 61.937 61.300 -0.513 0.000 1.453 121 I CB -0.571 37.020 38.000 -0.681 0.000 1.161 121 I HN 0.666 nan 8.210 nan 0.000 0.444 122 T N -1.891 112.336 114.554 -0.546 0.000 2.856 122 T HA 0.499 5.064 4.350 0.357 0.000 0.283 122 T C -0.762 173.418 174.700 -0.867 0.000 1.008 122 T CA -0.363 61.302 62.100 -0.725 0.000 0.997 122 T CB 1.811 70.167 68.868 -0.853 0.000 0.992 122 T HN 0.026 nan 8.240 nan 0.000 0.454 123 Y N 1.408 121.228 120.300 -0.800 0.000 2.617 123 Y HA 0.427 5.192 4.550 0.357 0.000 0.328 123 Y C 0.505 176.223 175.900 -0.304 0.000 0.946 123 Y CA -1.808 56.045 58.100 -0.413 0.000 1.241 123 Y CB -0.389 37.962 38.460 -0.180 0.000 1.226 123 Y HN 0.760 nan 8.280 nan 0.000 0.582 124 F N -1.292 118.559 119.950 -0.166 0.000 2.473 124 F HA -0.010 4.732 4.527 0.357 0.000 0.294 124 F C 1.632 177.352 175.800 -0.134 0.000 1.103 124 F CA 0.398 58.281 58.000 -0.194 0.000 1.442 124 F CB 0.269 39.082 39.000 -0.312 0.000 1.097 124 F HN 0.117 nan 8.300 nan 0.000 0.547 125 S N 1.245 116.956 115.700 0.017 0.000 3.628 125 S HA -0.149 4.535 4.470 0.357 0.000 0.373 125 S C 0.526 175.147 174.600 0.034 0.000 0.968 125 S CA -0.020 58.203 58.200 0.037 0.000 1.215 125 S CB -1.607 61.655 63.200 0.103 0.000 0.912 125 S HN 0.604 nan 8.310 nan 0.000 0.495 126 G N 1.704 110.513 108.800 0.015 0.000 2.391 126 G HA2 0.261 4.435 3.960 0.357 0.000 0.234 126 G HA3 0.261 4.435 3.960 0.357 0.000 0.234 126 G C -0.101 174.796 174.900 -0.005 0.000 1.284 126 G CA -0.278 44.821 45.100 -0.002 0.000 0.873 126 G HN 0.666 nan 8.290 nan 0.000 0.549 127 K N 0.816 121.201 120.400 -0.025 0.000 2.249 127 K HA 0.439 4.973 4.320 0.357 0.000 0.280 127 K C 0.243 176.788 176.600 -0.092 0.000 1.033 127 K CA -0.122 56.134 56.287 -0.052 0.000 0.946 127 K CB 1.146 33.605 32.500 -0.068 0.000 1.005 127 K HN 0.633 nan 8.250 nan 0.000 0.469 128 S N 0.524 116.146 115.700 -0.130 0.000 2.588 128 S HA 0.617 5.301 4.470 0.357 0.000 0.275 128 S C -0.518 173.933 174.600 -0.249 0.000 1.130 128 S CA -0.811 57.258 58.200 -0.219 0.000 0.855 128 S CB 1.911 65.019 63.200 -0.154 0.000 1.116 128 S HN 0.650 nan 8.310 nan 0.000 0.472 129 T N -2.151 112.203 114.554 -0.333 0.000 2.838 129 T HA 0.699 5.263 4.350 0.357 0.000 0.292 129 T C 1.324 175.843 174.700 -0.303 0.000 1.113 129 T CA -0.284 61.629 62.100 -0.311 0.000 1.008 129 T CB 0.852 69.501 68.868 -0.365 0.000 1.259 129 T HN 1.099 nan 8.240 nan 0.000 0.520 130 G N 0.861 109.504 108.800 -0.261 0.000 2.476 130 G HA2 -0.241 3.933 3.960 0.357 0.000 0.218 130 G HA3 -0.241 3.933 3.960 0.357 0.000 0.218 130 G C 1.520 176.280 174.900 -0.233 0.000 1.164 130 G CA 1.058 46.040 45.100 -0.197 0.000 0.768 130 G HN 0.977 nan 8.290 nan 0.000 0.560 131 R N -0.311 119.967 120.500 -0.369 0.000 2.148 131 R HA 0.142 4.696 4.340 0.357 0.000 0.223 131 R C 0.667 176.701 176.300 -0.444 0.000 1.088 131 R CA 0.535 56.372 56.100 -0.439 0.000 0.985 131 R CB 0.016 29.928 30.300 -0.648 0.000 0.880 131 R HN 0.161 nan 8.270 nan 0.000 0.451 132 R N 1.160 121.294 120.500 -0.610 0.000 2.547 132 R HA 0.313 4.867 4.340 0.357 0.000 0.280 132 R C -0.672 175.081 176.300 -0.912 0.000 1.630 132 R CA -0.203 55.289 56.100 -1.012 0.000 1.470 132 R CB 1.286 30.727 30.300 -1.431 0.000 1.178 132 R HN 0.104 nan 8.270 nan 0.000 0.591 133 M N 3.131 122.445 119.600 -0.476 0.000 3.596 133 M HA 0.229 4.923 4.480 0.357 0.000 0.219 133 M C -0.226 176.084 176.300 0.017 0.000 1.471 133 M CA 0.374 55.552 55.300 -0.205 0.000 1.644 133 M CB -0.338 32.222 32.600 -0.067 0.000 1.083 133 M HN 0.307 nan 8.290 nan 0.000 0.579 134 F N 0.536 120.390 119.950 -0.159 0.000 2.480 134 F HA 0.082 4.823 4.527 0.358 0.000 0.319 134 F C 1.318 177.068 175.800 -0.082 0.000 1.230 134 F CA -0.358 57.567 58.000 -0.124 0.000 1.285 134 F CB 0.497 39.410 39.000 -0.144 0.000 1.208 134 F HN 0.396 nan 8.300 nan 0.000 0.579 135 T N 1.070 115.690 114.554 0.110 0.000 3.245 135 T HA -0.160 4.404 4.350 0.357 0.000 0.434 135 T C -0.960 173.768 174.700 0.048 0.000 0.770 135 T CA 0.088 62.213 62.100 0.041 0.000 2.278 135 T CB -1.032 67.857 68.868 0.034 0.000 1.692 135 T HN 0.671 nan 8.240 nan 0.000 0.677 136 D N -0.235 120.187 120.400 0.037 0.000 2.781 136 D HA 0.613 5.467 4.640 0.357 0.000 0.295 136 D C -0.490 175.813 176.300 0.005 0.000 1.143 136 D CA -0.583 53.439 54.000 0.038 0.000 1.076 136 D CB 1.656 42.489 40.800 0.054 0.000 1.444 136 D HN 0.215 nan 8.370 nan 0.000 0.567 137 V N 1.610 121.517 119.914 -0.011 0.000 2.432 137 V HA 0.486 4.820 4.120 0.357 0.000 0.271 137 V C 1.128 177.142 176.094 -0.133 0.000 1.046 137 V CA 0.366 62.615 62.300 -0.084 0.000 0.945 137 V CB 0.852 32.622 31.823 -0.089 0.000 0.992 137 V HN 0.707 nan 8.190 nan 0.000 0.471 138 A N 3.979 126.709 122.820 -0.150 0.000 1.984 138 A HA 0.631 5.165 4.320 0.357 0.000 0.214 138 A C 1.122 178.653 177.584 -0.090 0.000 1.173 138 A CA 1.065 53.023 52.037 -0.132 0.000 0.673 138 A CB -0.061 18.891 19.000 -0.080 0.000 0.830 138 A HN 1.373 nan 8.150 nan 0.000 0.453 139 G N -2.361 106.326 108.800 -0.189 0.000 2.351 139 G HA2 0.396 4.570 3.960 0.357 0.000 0.279 139 G HA3 0.396 4.570 3.960 0.357 0.000 0.279 139 G C -1.572 173.078 174.900 -0.416 0.000 1.297 139 G CA -0.720 44.324 45.100 -0.094 0.000 0.886 139 G HN 0.301 nan 8.290 nan 0.000 0.493 140 F N 1.551 121.590 119.950 0.148 0.000 2.547 140 F HA 0.498 5.239 4.527 0.357 0.000 0.316 140 F C 0.016 175.814 175.800 -0.003 0.000 1.121 140 F CA -0.633 57.406 58.000 0.066 0.000 0.911 140 F CB 2.214 41.217 39.000 0.005 0.000 1.179 140 F HN 0.676 nan 8.300 nan 0.000 0.443 141 D N 2.558 122.955 120.400 -0.005 0.000 2.371 141 D HA 0.219 5.073 4.640 0.357 0.000 0.242 141 D C -2.124 173.914 176.300 -0.437 0.000 1.218 141 D CA -1.959 51.701 54.000 -0.566 0.000 0.945 141 D CB 0.354 40.974 40.800 -0.300 0.000 1.137 141 D HN 0.166 nan 8.370 nan 0.000 0.464 142 P HA -0.143 nan 4.420 nan 0.000 0.217 142 P C 0.446 177.690 177.300 -0.094 0.000 1.151 142 P CA 1.257 64.205 63.100 -0.254 0.000 0.849 142 P CB 0.075 31.650 31.700 -0.208 0.000 0.787 143 D N -1.999 118.357 120.400 -0.073 0.000 2.378 143 D HA 0.039 4.893 4.640 0.357 0.000 0.222 143 D C 1.475 177.802 176.300 0.045 0.000 0.980 143 D CA 1.369 55.368 54.000 -0.002 0.000 0.907 143 D CB -0.696 40.112 40.800 0.013 0.000 0.899 143 D HN 0.177 nan 8.370 nan 0.000 0.527 144 G N 0.410 109.250 108.800 0.067 0.000 2.132 144 G HA2 -0.281 3.893 3.960 0.357 0.000 0.234 144 G HA3 -0.281 3.893 3.960 0.357 0.000 0.234 144 G C -0.009 175.077 174.900 0.311 0.000 0.989 144 G CA -0.277 44.919 45.100 0.160 0.000 0.676 144 G HN 0.340 nan 8.290 nan 0.000 0.522 145 N N -0.522 118.332 118.700 0.257 0.000 2.509 145 N HA 0.615 5.570 4.740 0.357 0.000 0.287 145 N C 0.011 175.690 175.510 0.282 0.000 1.121 145 N CA -0.697 52.536 53.050 0.305 0.000 0.977 145 N CB 1.522 40.117 38.487 0.180 0.000 1.167 145 N HN 0.290 nan 8.380 nan 0.000 0.476 146 L N 2.581 123.952 121.223 0.247 0.000 2.367 146 L HA 0.363 4.917 4.340 0.357 0.000 0.275 146 L C -1.101 175.721 176.870 -0.081 0.000 1.129 146 L CA 0.179 54.926 54.840 -0.155 0.000 0.839 146 L CB 0.099 42.163 42.059 0.007 0.000 1.133 146 L HN 0.426 nan 8.230 nan 0.000 0.453 147 I N 6.995 127.437 120.570 -0.213 0.000 2.362 147 I HA 0.351 4.736 4.170 0.357 0.000 0.289 147 I C 0.116 176.196 176.117 -0.063 0.000 0.994 147 I CA -0.421 60.856 61.300 -0.038 0.000 1.158 147 I CB 1.173 39.191 38.000 0.030 0.000 1.315 147 I HN 0.674 nan 8.210 nan 0.000 0.451 148 I N 2.084 122.689 120.570 0.057 0.000 2.707 148 I HA 0.667 5.052 4.170 0.357 0.000 0.309 148 I C -0.007 176.145 176.117 0.059 0.000 1.001 148 I CA -0.547 60.789 61.300 0.060 0.000 1.129 148 I CB 2.175 40.266 38.000 0.153 0.000 1.308 148 I HN 0.456 nan 8.210 nan 0.000 0.466 149 S N 2.661 118.362 115.700 0.002 0.000 2.530 149 S HA 0.632 5.316 4.470 0.357 0.000 0.322 149 S C -0.556 174.007 174.600 -0.063 0.000 1.085 149 S CA -0.229 57.936 58.200 -0.058 0.000 1.096 149 S CB 0.696 63.829 63.200 -0.110 0.000 0.988 149 S HN 0.917 nan 8.310 nan 0.000 0.466 150 T N 1.991 116.507 114.554 -0.063 0.000 2.868 150 T HA 0.416 4.980 4.350 0.357 0.000 0.306 150 T C -0.880 173.705 174.700 -0.190 0.000 1.224 150 T CA -0.627 61.386 62.100 -0.145 0.000 1.012 150 T CB 1.407 70.129 68.868 -0.243 0.000 1.221 150 T HN 0.692 nan 8.240 nan 0.000 0.499 151 D N 1.353 121.615 120.400 -0.232 0.000 2.431 151 D HA 0.210 5.065 4.640 0.357 0.000 0.213 151 D C 1.674 177.807 176.300 -0.279 0.000 1.130 151 D CA 0.179 54.035 54.000 -0.240 0.000 0.834 151 D CB 0.007 40.690 40.800 -0.195 0.000 0.985 151 D HN 0.520 nan 8.370 nan 0.000 0.504 152 A N 0.908 123.498 122.820 -0.384 0.000 1.958 152 A HA -0.177 4.357 4.320 0.357 0.000 0.221 152 A C 1.870 179.194 177.584 -0.433 0.000 1.178 152 A CA 1.466 53.239 52.037 -0.439 0.000 0.642 152 A CB -0.346 18.203 19.000 -0.752 0.000 0.816 152 A HN 0.203 nan 8.150 nan 0.000 0.453 153 M N -0.407 118.909 119.600 -0.472 0.000 2.404 153 M HA 0.235 4.929 4.480 0.357 0.000 0.271 153 M C -0.183 175.925 176.300 -0.320 0.000 1.128 153 M CA 0.125 55.185 55.300 -0.400 0.000 0.982 153 M CB 0.764 33.125 32.600 -0.399 0.000 1.445 153 M HN 0.198 nan 8.290 nan 0.000 0.495 154 Q N 0.167 119.790 119.800 -0.296 0.000 2.248 154 Q HA 0.452 5.007 4.340 0.357 0.000 0.263 154 Q C -1.776 174.014 176.000 -0.350 0.000 1.007 154 Q CA -1.867 53.765 55.803 -0.283 0.000 0.877 154 Q CB 0.801 29.379 28.738 -0.268 0.000 1.315 154 Q HN -0.019 nan 8.270 nan 0.000 0.454 155 P HA -0.012 nan 4.420 nan 0.000 0.221 155 P C -0.263 176.533 177.300 -0.840 0.000 1.155 155 P CA 0.992 63.720 63.100 -0.620 0.000 0.812 155 P CB 0.388 31.637 31.700 -0.751 0.000 0.801 156 F N 0.275 119.903 119.950 -0.537 0.000 2.469 156 F HA 0.275 5.016 4.527 0.357 0.000 0.332 156 F C 2.099 177.668 175.800 -0.384 0.000 1.103 156 F CA -0.618 57.064 58.000 -0.531 0.000 0.979 156 F CB 1.306 39.711 39.000 -0.990 0.000 1.137 156 F HN -0.220 nan 8.300 nan 0.000 0.463 157 S N 0.695 116.364 115.700 -0.052 0.000 2.370 157 S HA -0.200 4.485 4.470 0.357 0.000 0.226 157 S C 1.878 176.524 174.600 0.078 0.000 1.033 157 S CA 2.028 60.258 58.200 0.050 0.000 1.011 157 S CB -0.576 62.686 63.200 0.102 0.000 0.852 157 S HN 0.589 nan 8.310 nan 0.000 0.457 158 S N 1.491 117.208 115.700 0.028 0.000 2.500 158 S HA 0.179 4.863 4.470 0.357 0.000 0.239 158 S C 0.922 175.227 174.600 -0.493 0.000 0.989 158 S CA 0.752 58.823 58.200 -0.215 0.000 0.951 158 S CB -0.531 62.462 63.200 -0.345 0.000 0.759 158 S HN 0.599 nan 8.310 nan 0.000 0.523 159 M N 2.805 122.151 119.600 -0.423 0.000 3.706 159 M HA 0.036 4.731 4.480 0.357 0.000 0.204 159 M C 0.369 176.416 176.300 -0.421 0.000 1.455 159 M CA 0.087 55.129 55.300 -0.430 0.000 1.659 159 M CB -0.670 31.685 32.600 -0.407 0.000 1.076 159 M HN 0.071 nan 8.290 nan 0.000 0.577 160 T N -1.694 112.550 114.554 -0.517 0.000 4.313 160 T HA 0.203 4.768 4.350 0.357 0.000 0.272 160 T C 0.378 174.844 174.700 -0.389 0.000 1.298 160 T CA -0.676 61.123 62.100 -0.502 0.000 1.124 160 T CB -0.927 67.496 68.868 -0.742 0.000 1.352 160 T HN 0.445 nan 8.240 nan 0.000 1.013 161 C N 2.617 121.690 119.300 -0.380 0.000 2.727 161 C HA 0.290 4.965 4.460 0.357 0.000 0.401 161 C C 1.114 175.800 174.990 -0.506 0.000 1.294 161 C CA -0.885 57.845 59.018 -0.480 0.000 2.134 161 C CB -0.429 26.987 27.740 -0.540 0.000 2.724 161 C HN 0.722 nan 8.230 nan 0.000 0.677 162 L N 2.350 123.256 121.223 -0.529 0.000 2.326 162 L HA 0.410 4.965 4.340 0.357 0.000 0.278 162 L C -0.870 175.706 176.870 -0.491 0.000 1.092 162 L CA -0.043 54.574 54.840 -0.372 0.000 0.810 162 L CB 0.243 42.163 42.059 -0.232 0.000 1.153 162 L HN 0.628 nan 8.230 nan 0.000 0.439 163 Y N 1.570 121.863 120.300 -0.012 0.000 2.457 163 Y HA 0.419 5.183 4.550 0.357 0.000 0.343 163 Y C -0.103 175.875 175.900 0.131 0.000 0.994 163 Y CA -0.819 57.328 58.100 0.078 0.000 1.031 163 Y CB 1.906 40.437 38.460 0.117 0.000 1.246 163 Y HN 0.456 nan 8.280 nan 0.000 0.449 164 R N 2.484 123.166 120.500 0.302 0.000 2.229 164 R HA 0.603 5.157 4.340 0.357 0.000 0.328 164 R C -1.420 174.974 176.300 0.157 0.000 1.009 164 R CA -0.519 55.700 56.100 0.199 0.000 0.864 164 R CB 0.657 31.048 30.300 0.152 0.000 1.085 164 R HN 0.579 nan 8.270 nan 0.000 0.453 165 V N 4.766 124.745 119.914 0.108 0.000 2.508 165 V HA 0.128 4.462 4.120 0.357 0.000 0.281 165 V C 0.235 176.295 176.094 -0.055 0.000 1.041 165 V CA 0.285 62.546 62.300 -0.064 0.000 1.016 165 V CB 0.956 32.814 31.823 0.058 0.000 0.984 165 V HN 0.820 nan 8.190 nan 0.000 0.478 166 E N 3.552 123.631 120.200 -0.201 0.000 2.288 166 E HA 0.403 4.967 4.350 0.357 0.000 0.268 166 E C -0.206 176.334 176.600 -0.099 0.000 0.885 166 E CA -0.867 55.484 56.400 -0.083 0.000 0.767 166 E CB 1.329 30.998 29.700 -0.051 0.000 1.220 166 E HN 0.697 nan 8.360 nan 0.000 0.427 167 N N 2.847 121.533 118.700 -0.023 0.000 2.721 167 N HA -0.189 4.765 4.740 0.357 0.000 0.249 167 N C -1.074 174.422 175.510 -0.024 0.000 1.072 167 N CA 1.180 54.219 53.050 -0.017 0.000 0.710 167 N CB -0.856 37.610 38.487 -0.036 0.000 0.993 167 N HN 0.725 nan 8.380 nan 0.000 0.547 168 D N -1.425 118.980 120.400 0.008 0.000 2.723 168 D HA -0.165 4.689 4.640 0.357 0.000 0.236 168 D C 1.155 177.329 176.300 -0.209 0.000 1.138 168 D CA 2.222 56.185 54.000 -0.061 0.000 0.676 168 D CB -1.482 39.329 40.800 0.019 0.000 1.069 168 D HN 0.870 nan 8.370 nan 0.000 0.430 169 G N -1.391 107.245 108.800 -0.274 0.000 2.176 169 G HA2 -0.332 3.843 3.960 0.357 0.000 0.232 169 G HA3 -0.332 3.843 3.960 0.357 0.000 0.232 169 G C 1.087 175.933 174.900 -0.091 0.000 0.986 169 G CA 0.205 45.137 45.100 -0.280 0.000 0.643 169 G HN 0.410 nan 8.290 nan 0.000 0.522 170 I N 0.713 121.250 120.570 -0.056 0.000 2.133 170 I HA 0.052 4.437 4.170 0.357 0.000 0.238 170 I C 1.313 177.605 176.117 0.292 0.000 1.074 170 I CA 1.645 63.026 61.300 0.135 0.000 1.342 170 I CB -0.818 37.202 38.000 0.034 0.000 1.053 170 I HN 0.395 nan 8.210 nan 0.000 0.404 171 N N -0.730 117.989 118.700 0.033 0.000 2.328 171 N HA 0.415 5.369 4.740 0.357 0.000 0.299 171 N C -1.568 173.810 175.510 -0.221 0.000 1.179 171 N CA -0.398 52.735 53.050 0.139 0.000 0.793 171 N CB 1.514 40.053 38.487 0.087 0.000 1.366 171 N HN -0.158 nan 8.380 nan 0.000 0.493 172 F N 1.060 121.135 119.950 0.209 0.000 2.539 172 F HA 0.393 5.134 4.527 0.357 0.000 0.328 172 F C -0.659 175.257 175.800 0.194 0.000 1.148 172 F CA -0.801 57.284 58.000 0.142 0.000 0.940 172 F CB 1.695 40.690 39.000 -0.009 0.000 1.194 172 F HN 0.051 nan 8.300 nan 0.000 0.438 173 V N 5.601 125.712 119.914 0.328 0.000 2.350 173 V HA 0.379 4.713 4.120 0.357 0.000 0.276 173 V C -2.039 174.242 176.094 0.311 0.000 1.028 173 V CA -1.926 60.542 62.300 0.279 0.000 0.860 173 V CB 1.194 33.122 31.823 0.175 0.000 0.990 173 V HN 0.441 nan 8.190 nan 0.000 0.453 174 P HA 0.197 nan 4.420 nan 0.000 0.271 174 P C 0.369 177.667 177.300 -0.002 0.000 1.216 174 P CA -0.071 63.075 63.100 0.077 0.000 0.776 174 P CB 1.446 33.183 31.700 0.061 0.000 0.881 175 L N 1.617 122.776 121.223 -0.106 0.000 2.567 175 L HA 0.073 4.627 4.340 0.357 0.000 0.225 175 L C 0.417 177.236 176.870 -0.085 0.000 1.119 175 L CA 0.159 54.968 54.840 -0.051 0.000 0.871 175 L CB -1.040 40.993 42.059 -0.044 0.000 1.036 175 L HN 0.442 nan 8.230 nan 0.000 0.459 176 N N 0.457 119.068 118.700 -0.148 0.000 2.708 176 N HA -0.228 4.726 4.740 0.357 0.000 0.251 176 N C 0.493 175.916 175.510 -0.145 0.000 1.017 176 N CA 0.199 53.176 53.050 -0.122 0.000 0.742 176 N CB -1.018 37.460 38.487 -0.015 0.000 0.943 176 N HN 0.345 nan 8.380 nan 0.000 0.539 177 L N -0.686 120.366 121.223 -0.284 0.000 2.667 177 L HA 0.296 4.850 4.340 0.357 0.000 0.232 177 L C 1.434 177.915 176.870 -0.648 0.000 1.138 177 L CA 0.291 54.903 54.840 -0.381 0.000 0.921 177 L CB -0.141 41.703 42.059 -0.358 0.000 1.180 177 L HN 0.498 nan 8.230 nan 0.000 0.487 178 G N 1.183 109.445 108.800 -0.896 0.000 2.760 178 G HA2 -0.181 3.994 3.960 0.357 0.000 0.246 178 G HA3 -0.181 3.994 3.960 0.357 0.000 0.246 178 G C -2.768 171.601 174.900 -0.885 0.000 1.359 178 G CA -0.941 43.198 45.100 -1.602 0.000 0.861 178 G HN 0.013 nan 8.290 nan 0.000 0.541 179 P HA 0.485 nan 4.420 nan 0.000 0.267 179 P C -0.136 176.963 177.300 -0.336 0.000 1.205 179 P CA 1.074 63.897 63.100 -0.461 0.000 0.765 179 P CB 1.218 32.691 31.700 -0.378 0.000 0.828 180 A N 2.651 125.310 122.820 -0.269 0.000 2.594 180 A HA 0.590 5.124 4.320 0.357 0.000 0.295 180 A C 0.586 178.118 177.584 -0.088 0.000 1.071 180 A CA -0.345 51.599 52.037 -0.156 0.000 0.685 180 A CB 0.988 19.883 19.000 -0.175 0.000 1.285 180 A HN 0.376 nan 8.150 nan 0.000 0.405 181 T N 0.173 114.745 114.554 0.029 0.000 3.000 181 T HA 0.252 4.817 4.350 0.357 0.000 0.248 181 T C -0.059 174.606 174.700 -0.058 0.000 1.034 181 T CA 1.206 63.355 62.100 0.082 0.000 1.060 181 T CB -0.173 68.873 68.868 0.297 0.000 0.983 181 T HN 0.717 nan 8.240 nan 0.000 0.482 182 H N -0.505 118.574 119.070 0.016 0.000 2.851 182 H HA 0.684 5.454 4.556 0.357 0.000 0.372 182 H C -1.469 173.863 175.328 0.007 0.000 1.158 182 H CA -1.026 55.040 56.048 0.031 0.000 1.159 182 H CB 1.904 31.698 29.762 0.053 0.000 1.757 182 H HN 0.034 nan 8.280 nan 0.000 0.546 183 I N 3.069 123.718 120.570 0.131 0.000 2.531 183 I HA 0.341 4.726 4.170 0.357 0.000 0.283 183 I C -1.817 174.350 176.117 0.084 0.000 1.083 183 I CA -0.172 61.151 61.300 0.039 0.000 1.071 183 I CB 0.303 38.310 38.000 0.013 0.000 1.210 183 I HN 0.483 nan 8.210 nan 0.000 0.450 184 L N 6.213 127.445 121.223 0.015 0.000 2.331 184 L HA 0.665 5.219 4.340 0.357 0.000 0.268 184 L C -1.116 175.693 176.870 -0.102 0.000 1.015 184 L CA -0.820 54.097 54.840 0.127 0.000 0.807 184 L CB 1.362 43.517 42.059 0.159 0.000 1.293 184 L HN 0.358 nan 8.230 nan 0.000 0.451 185 F N 0.204 120.245 119.950 0.151 0.000 2.556 185 F HA 0.742 5.484 4.527 0.357 0.000 0.314 185 F C -0.142 175.733 175.800 0.125 0.000 1.106 185 F CA -0.636 57.446 58.000 0.136 0.000 0.911 185 F CB 2.170 41.248 39.000 0.131 0.000 1.190 185 F HN 0.383 nan 8.300 nan 0.000 0.448 186 A N 2.066 125.044 122.820 0.263 0.000 2.466 186 A HA 0.569 5.103 4.320 0.357 0.000 0.284 186 A C -0.845 176.857 177.584 0.197 0.000 1.049 186 A CA -0.790 51.376 52.037 0.215 0.000 0.760 186 A CB 0.630 19.743 19.000 0.188 0.000 1.274 186 A HN 0.869 nan 8.150 nan 0.000 0.412 187 D N 1.872 122.390 120.400 0.197 0.000 2.751 187 D HA -0.211 4.644 4.640 0.357 0.000 0.233 187 D C 1.059 177.442 176.300 0.137 0.000 1.149 187 D CA 2.428 56.525 54.000 0.161 0.000 0.682 187 D CB -1.283 39.606 40.800 0.149 0.000 1.068 187 D HN 2.220 nan 8.370 nan 0.000 0.429 188 G N 0.045 108.949 108.800 0.175 0.000 2.160 188 G HA2 -0.358 3.816 3.960 0.357 0.000 0.251 188 G HA3 -0.358 3.816 3.960 0.357 0.000 0.251 188 G C 0.155 175.153 174.900 0.162 0.000 1.008 188 G CA 0.472 45.678 45.100 0.177 0.000 0.724 188 G HN 0.513 nan 8.290 nan 0.000 0.514 189 R N 0.041 120.632 120.500 0.152 0.000 2.480 189 R HA 0.438 4.992 4.340 0.357 0.000 0.306 189 R C 0.285 176.581 176.300 -0.007 0.000 0.958 189 R CA -0.958 55.172 56.100 0.050 0.000 0.861 189 R CB 1.400 31.710 30.300 0.016 0.000 1.171 189 R HN 0.233 nan 8.270 nan 0.000 0.445 190 R N 1.667 122.115 120.500 -0.086 0.000 2.389 190 R HA 0.229 4.784 4.340 0.357 0.000 0.295 190 R C -0.348 175.926 176.300 -0.042 0.000 1.075 190 R CA -0.293 55.678 56.100 -0.216 0.000 1.005 190 R CB 0.832 31.146 30.300 0.025 0.000 0.987 190 R HN 0.223 nan 8.270 nan 0.000 0.452 191 V N 5.719 125.569 119.914 -0.105 0.000 2.378 191 V HA 0.370 4.704 4.120 0.357 0.000 0.288 191 V C 0.133 176.260 176.094 0.056 0.000 1.016 191 V CA -0.614 61.714 62.300 0.046 0.000 0.840 191 V CB 1.441 33.291 31.823 0.045 0.000 0.994 191 V HN 0.620 nan 8.190 nan 0.000 0.431 192 I N 3.915 124.575 120.570 0.151 0.000 2.354 192 I HA 0.593 4.978 4.170 0.357 0.000 0.292 192 I C 0.810 176.995 176.117 0.114 0.000 0.989 192 I CA -0.278 61.075 61.300 0.088 0.000 1.188 192 I CB 1.803 39.805 38.000 0.004 0.000 1.342 192 I HN 0.709 nan 8.210 nan 0.000 0.457 193 G N 6.295 115.146 108.800 0.085 0.000 2.415 193 G HA2 0.481 4.655 3.960 0.357 0.000 0.317 193 G HA3 0.481 4.655 3.960 0.357 0.000 0.317 193 G C -0.343 174.594 174.900 0.062 0.000 1.152 193 G CA -0.601 44.537 45.100 0.063 0.000 0.956 193 G HN 0.541 nan 8.290 nan 0.000 0.458 194 R N 2.108 122.635 120.500 0.045 0.000 2.254 194 R HA 0.183 4.738 4.340 0.357 0.000 0.318 194 R C 0.302 176.599 176.300 -0.005 0.000 1.031 194 R CA -0.366 55.756 56.100 0.036 0.000 0.905 194 R CB 0.637 30.979 30.300 0.070 0.000 1.050 194 R HN 0.842 nan 8.270 nan 0.000 0.456 195 N N 0.262 118.957 118.700 -0.008 0.000 2.721 195 N HA -0.199 4.755 4.740 0.357 0.000 0.249 195 N C -0.011 175.172 175.510 -0.544 0.000 1.072 195 N CA 0.939 53.826 53.050 -0.272 0.000 0.710 195 N CB -0.783 37.712 38.487 0.015 0.000 0.993 195 N HN 0.712 nan 8.380 nan 0.000 0.547 196 T N -2.548 111.816 114.554 -0.317 0.000 3.235 196 T HA 0.212 4.777 4.350 0.357 0.000 0.251 196 T C 0.468 175.151 174.700 -0.028 0.000 1.060 196 T CA -0.510 61.447 62.100 -0.239 0.000 0.949 196 T CB -0.554 68.199 68.868 -0.192 0.000 1.020 196 T HN 0.348 nan 8.240 nan 0.000 0.564 197 F N 0.756 120.949 119.950 0.405 0.000 2.375 197 F HA 0.669 5.410 4.527 0.357 0.000 0.313 197 F C 0.425 176.484 175.800 0.432 0.000 1.176 197 F CA -1.850 56.391 58.000 0.402 0.000 1.142 197 F CB 0.324 39.533 39.000 0.348 0.000 1.275 197 F HN -0.164 nan 8.300 nan 0.000 0.544 198 E N 1.107 121.672 120.200 0.608 0.000 2.383 198 E HA 0.236 4.800 4.350 0.357 0.000 0.264 198 E C -0.462 176.391 176.600 0.423 0.000 1.050 198 E CA -0.061 56.619 56.400 0.466 0.000 0.896 198 E CB 1.152 31.076 29.700 0.374 0.000 0.982 198 E HN 0.631 nan 8.360 nan 0.000 0.424 199 L N 4.037 125.376 121.223 0.193 0.000 2.637 199 L HA 0.174 4.728 4.340 0.357 0.000 0.241 199 L C -1.529 175.282 176.870 -0.099 0.000 1.398 199 L CA -1.332 53.490 54.840 -0.029 0.000 0.895 199 L CB 1.104 42.940 42.059 -0.371 0.000 1.183 199 L HN 0.232 nan 8.230 nan 0.000 0.497 200 P HA -0.199 nan 4.420 nan 0.000 0.220 200 P C 1.181 178.494 177.300 0.021 0.000 1.148 200 P CA 1.389 64.507 63.100 0.030 0.000 0.803 200 P CB -0.080 31.684 31.700 0.108 0.000 0.782 201 H N -4.069 115.065 119.070 0.105 0.000 2.546 201 H HA -0.021 4.750 4.556 0.357 0.000 0.277 201 H C 0.005 175.445 175.328 0.187 0.000 1.004 201 H CA 0.271 56.391 56.048 0.119 0.000 1.231 201 H CB -0.493 29.363 29.762 0.156 0.000 1.382 201 H HN 0.198 nan 8.280 nan 0.000 0.580 202 W N 2.771 123.839 121.300 -0.386 0.000 2.451 202 W HA 0.379 5.254 4.660 0.358 0.000 0.285 202 W C -1.108 175.333 176.519 -0.131 0.000 1.024 202 W CA -1.892 55.328 57.345 -0.207 0.000 1.421 202 W CB 0.619 29.917 29.460 -0.270 0.000 1.319 202 W HN -0.156 nan 8.180 nan 0.000 0.366 203 K N 1.419 121.976 120.400 0.261 0.000 2.270 203 K HA 0.467 5.002 4.320 0.357 0.000 0.276 203 K C 1.080 177.827 176.600 0.245 0.000 1.023 203 K CA 0.657 57.027 56.287 0.140 0.000 0.955 203 K CB 0.825 33.314 32.500 -0.018 0.000 0.975 203 K HN 0.595 nan 8.250 nan 0.000 0.471 204 G N 1.843 110.747 108.800 0.175 0.000 2.160 204 G HA2 -0.316 3.858 3.960 0.357 0.000 0.251 204 G HA3 -0.316 3.858 3.960 0.357 0.000 0.251 204 G C -0.327 174.558 174.900 -0.025 0.000 1.008 204 G CA 0.204 45.377 45.100 0.122 0.000 0.724 204 G HN 0.651 nan 8.290 nan 0.000 0.514 205 Y N 0.970 121.042 120.300 -0.380 0.000 2.620 205 Y HA 0.431 5.196 4.550 0.357 0.000 0.330 205 Y C 1.261 176.890 175.900 -0.452 0.000 1.186 205 Y CA -0.083 57.490 58.100 -0.878 0.000 1.467 205 Y CB 0.426 38.161 38.460 -1.207 0.000 1.262 205 Y HN 0.213 nan 8.280 nan 0.000 0.550 206 R N 4.006 123.861 120.500 -1.075 0.000 2.616 206 R HA 0.284 4.838 4.340 0.357 0.000 0.427 206 R C 0.568 176.341 176.300 -0.878 0.000 1.030 206 R CA 0.056 55.705 56.100 -0.752 0.000 1.133 206 R CB 0.575 30.701 30.300 -0.290 0.000 1.444 206 R HN 0.815 nan 8.270 nan 0.000 0.578 207 G N -0.708 107.060 108.800 -1.721 0.000 2.588 207 G HA2 0.280 4.454 3.960 0.357 0.000 0.281 207 G HA3 0.280 4.454 3.960 0.357 0.000 0.281 207 G C 0.962 175.589 174.900 -0.456 0.000 1.236 207 G CA -0.216 44.369 45.100 -0.859 0.000 0.969 207 G HN 0.174 nan 8.290 nan 0.000 0.504 208 G N -1.451 107.240 108.800 -0.182 0.000 2.498 208 G HA2 -0.045 4.129 3.960 0.357 0.000 0.219 208 G HA3 -0.045 4.129 3.960 0.357 0.000 0.219 208 G C 1.197 176.100 174.900 0.006 0.000 1.119 208 G CA 1.410 46.443 45.100 -0.111 0.000 0.766 208 G HN 0.611 nan 8.290 nan 0.000 0.552 209 T N 0.695 115.394 114.554 0.243 0.000 3.163 209 T HA 0.173 4.737 4.350 0.357 0.000 0.252 209 T C 0.976 175.904 174.700 0.380 0.000 1.056 209 T CA -0.614 61.649 62.100 0.272 0.000 0.947 209 T CB -0.038 69.103 68.868 0.454 0.000 1.016 209 T HN 0.562 nan 8.240 nan 0.000 0.554 210 R N 1.335 122.030 120.500 0.324 0.000 2.623 210 R HA 0.403 4.957 4.340 0.357 0.000 0.271 210 R C 0.551 176.935 176.300 0.140 0.000 1.043 210 R CA -0.478 55.819 56.100 0.328 0.000 1.083 210 R CB 0.047 30.322 30.300 -0.041 0.000 0.974 210 R HN 0.111 nan 8.270 nan 0.000 0.436 211 G N 2.577 111.405 108.800 0.047 0.000 2.305 211 G HA2 0.089 4.263 3.960 0.357 0.000 0.243 211 G HA3 0.089 4.263 3.960 0.357 0.000 0.243 211 G C -0.663 174.086 174.900 -0.251 0.000 1.288 211 G CA -0.429 44.509 45.100 -0.271 0.000 0.901 211 G HN 0.611 nan 8.290 nan 0.000 0.516 212 K N 1.039 121.352 120.400 -0.146 0.000 2.444 212 K HA 0.582 5.116 4.320 0.357 0.000 0.252 212 K C -0.819 175.749 176.600 -0.053 0.000 0.993 212 K CA -0.833 55.381 56.287 -0.123 0.000 0.847 212 K CB 2.605 35.099 32.500 -0.009 0.000 1.340 212 K HN 0.370 nan 8.250 nan 0.000 0.446 213 I N 1.025 121.534 120.570 -0.101 0.000 2.498 213 I HA 0.394 4.778 4.170 0.357 0.000 0.290 213 I C -1.124 175.011 176.117 0.030 0.000 1.032 213 I CA -0.765 60.534 61.300 -0.002 0.000 1.073 213 I CB 1.159 39.102 38.000 -0.094 0.000 1.251 213 I HN 0.438 nan 8.210 nan 0.000 0.426 214 W N 6.089 127.395 121.300 0.010 0.000 2.703 214 W HA 0.796 5.670 4.660 0.357 0.000 0.359 214 W C -0.526 176.077 176.519 0.139 0.000 1.168 214 W CA -0.608 56.791 57.345 0.091 0.000 1.177 214 W CB 1.231 30.774 29.460 0.138 0.000 1.434 214 W HN 0.206 nan 8.180 nan 0.000 0.618 215 I N 0.392 121.228 120.570 0.442 0.000 2.775 215 I HA 0.162 4.546 4.170 0.357 0.000 0.295 215 I C -0.737 175.372 176.117 -0.012 0.000 1.287 215 I CA -0.798 60.632 61.300 0.217 0.000 1.029 215 I CB 1.838 39.890 38.000 0.087 0.000 1.282 215 I HN 0.396 nan 8.210 nan 0.000 0.426 216 E N 4.154 124.123 120.200 -0.384 0.000 2.366 216 E HA 0.341 4.906 4.350 0.357 0.000 0.266 216 E C 0.046 176.452 176.600 -0.323 0.000 1.051 216 E CA -0.007 55.899 56.400 -0.824 0.000 0.884 216 E CB 1.226 30.419 29.700 -0.844 0.000 1.006 216 E HN 0.491 nan 8.360 nan 0.000 0.417 217 V N 0.274 120.032 119.914 -0.259 0.000 3.332 217 V HA 0.324 4.659 4.120 0.357 0.000 0.263 217 V C 0.100 176.140 176.094 -0.089 0.000 1.562 217 V CA 0.001 62.232 62.300 -0.116 0.000 1.040 217 V CB 0.373 32.160 31.823 -0.060 0.000 0.857 217 V HN 0.578 nan 8.190 nan 0.000 0.428 218 N N 1.823 120.459 118.700 -0.106 0.000 2.726 218 N HA 0.227 5.181 4.740 0.357 0.000 0.253 218 N C 0.364 175.847 175.510 -0.045 0.000 1.530 218 N CA 0.579 53.595 53.050 -0.058 0.000 0.772 218 N CB 0.649 39.112 38.487 -0.040 0.000 1.220 218 N HN 0.586 nan 8.380 nan 0.000 0.508 219 S N 0.201 115.875 115.700 -0.044 0.000 3.262 219 S HA -0.180 4.504 4.470 0.357 0.000 0.367 219 S C 1.140 175.764 174.600 0.039 0.000 0.914 219 S CA 1.116 59.314 58.200 -0.002 0.000 1.249 219 S CB -1.783 61.433 63.200 0.026 0.000 0.872 219 S HN 1.049 nan 8.310 nan 0.000 0.467 220 G N -1.307 107.513 108.800 0.033 0.000 3.468 220 G HA2 0.387 4.562 3.960 0.357 0.000 0.219 220 G HA3 0.387 4.562 3.960 0.357 0.000 0.219 220 G C 0.051 175.093 174.900 0.237 0.000 0.968 220 G CA -0.068 45.138 45.100 0.177 0.000 0.851 220 G HN 1.762 nan 8.290 nan 0.000 0.524 221 A N 0.471 123.317 122.820 0.042 0.000 2.290 221 A HA 0.838 5.372 4.320 0.357 0.000 0.310 221 A C -0.984 176.635 177.584 0.057 0.000 1.202 221 A CA -0.230 51.833 52.037 0.044 0.000 0.837 221 A CB 0.577 19.537 19.000 -0.067 0.000 1.139 221 A HN 0.378 nan 8.150 nan 0.000 0.509 222 F N 0.934 121.097 119.950 0.355 0.000 2.546 222 F HA 0.637 5.378 4.527 0.357 0.000 0.320 222 F C 0.384 176.500 175.800 0.527 0.000 1.076 222 F CA -0.440 57.821 58.000 0.435 0.000 0.928 222 F CB 2.408 41.669 39.000 0.436 0.000 1.189 222 F HN 0.567 nan 8.300 nan 0.000 0.465 223 K N 2.734 123.474 120.400 0.566 0.000 2.482 223 K HA 0.323 4.857 4.320 0.357 0.000 0.251 223 K C -1.196 175.368 176.600 -0.060 0.000 0.936 223 K CA -0.841 55.603 56.287 0.261 0.000 0.791 223 K CB 1.842 34.393 32.500 0.084 0.000 1.213 223 K HN 0.677 nan 8.250 nan 0.000 0.428 224 K N 5.685 125.580 120.400 -0.841 0.000 2.383 224 K HA 0.096 4.630 4.320 0.357 0.000 0.286 224 K C 0.869 177.131 176.600 -0.563 0.000 1.051 224 K CA -0.001 55.492 56.287 -1.324 0.000 0.974 224 K CB 0.282 31.679 32.500 -1.838 0.000 0.968 224 K HN 0.699 nan 8.250 nan 0.000 0.475 225 I N 0.903 121.249 120.570 -0.374 0.000 3.883 225 I HA 0.146 4.530 4.170 0.357 0.000 0.305 225 I C -0.397 175.599 176.117 -0.203 0.000 1.247 225 I CA -0.476 60.696 61.300 -0.213 0.000 1.350 225 I CB 0.847 38.786 38.000 -0.102 0.000 1.194 225 I HN 0.069 nan 8.210 nan 0.000 0.441 226 V N 3.181 122.947 119.914 -0.246 0.000 2.376 226 V HA 0.449 4.783 4.120 0.357 0.000 0.287 226 V C -1.279 174.632 176.094 -0.304 0.000 1.015 226 V CA -0.210 61.925 62.300 -0.274 0.000 0.834 226 V CB 1.314 32.913 31.823 -0.374 0.000 1.001 226 V HN 0.261 nan 8.190 nan 0.000 0.428 227 D N 5.210 125.451 120.400 -0.264 0.000 2.714 227 D HA 0.342 5.196 4.640 0.357 0.000 0.264 227 D C -0.192 175.990 176.300 -0.196 0.000 1.231 227 D CA -0.270 53.591 54.000 -0.231 0.000 0.802 227 D CB 0.784 41.451 40.800 -0.221 0.000 1.319 227 D HN 0.378 nan 8.370 nan 0.000 0.528 228 M N 0.007 119.474 119.600 -0.220 0.000 2.055 228 M HA 0.120 4.814 4.480 0.357 0.000 0.279 228 M C 2.061 178.269 176.300 -0.154 0.000 1.236 228 M CA -0.104 55.087 55.300 -0.180 0.000 1.074 228 M CB 0.940 33.416 32.600 -0.207 0.000 1.394 228 M HN 0.216 nan 8.290 nan 0.000 0.492 229 S N -1.424 114.202 115.700 -0.125 0.000 2.406 229 S HA -0.037 4.648 4.470 0.357 0.000 0.228 229 S C 0.870 175.383 174.600 -0.147 0.000 1.020 229 S CA 0.916 59.050 58.200 -0.110 0.000 0.965 229 S CB -0.753 62.404 63.200 -0.072 0.000 0.798 229 S HN 0.847 nan 8.310 nan 0.000 0.488 230 T N -0.987 113.484 114.554 -0.139 0.000 2.893 230 T HA 0.451 5.015 4.350 0.357 0.000 0.279 230 T C -0.275 174.359 174.700 -0.109 0.000 0.991 230 T CA -0.701 61.323 62.100 -0.127 0.000 0.950 230 T CB 0.442 69.274 68.868 -0.060 0.000 1.223 230 T HN 0.366 nan 8.240 nan 0.000 0.585 231 H N -0.806 118.187 119.070 -0.128 0.000 2.722 231 H HA 0.520 5.291 4.556 0.357 0.000 0.328 231 H C -0.937 174.342 175.328 -0.081 0.000 1.067 231 H CA -0.139 55.867 56.048 -0.071 0.000 1.447 231 H CB 0.290 30.079 29.762 0.044 0.000 1.469 231 H HN 0.455 nan 8.280 nan 0.000 0.544 232 V N 5.718 125.208 119.914 -0.706 0.000 2.384 232 V HA 0.350 4.684 4.120 0.357 0.000 0.287 232 V C -0.358 175.354 176.094 -0.637 0.000 1.020 232 V CA -0.304 61.658 62.300 -0.563 0.000 0.850 232 V CB 1.197 32.622 31.823 -0.663 0.000 0.987 232 V HN 0.993 nan 8.190 nan 0.000 0.436 233 S N 2.384 117.928 115.700 -0.261 0.000 2.634 233 S HA 0.658 5.342 4.470 0.357 0.000 0.296 233 S C -0.096 174.496 174.600 -0.012 0.000 1.104 233 S CA -0.448 57.691 58.200 -0.102 0.000 0.920 233 S CB 1.779 65.070 63.200 0.151 0.000 1.111 233 S HN 0.971 nan 8.310 nan 0.000 0.493 234 S N 2.029 117.694 115.700 -0.059 0.000 3.356 234 S HA -0.074 4.610 4.470 0.357 0.000 0.376 234 S C -2.277 172.294 174.600 -0.047 0.000 0.924 234 S CA 0.552 58.722 58.200 -0.050 0.000 1.316 234 S CB -1.730 61.551 63.200 0.135 0.000 0.922 234 S HN 0.791 nan 8.310 nan 0.000 0.553 235 P HA 0.519 nan 4.420 nan 0.000 0.279 235 P C -0.164 177.200 177.300 0.106 0.000 1.239 235 P CA -0.392 62.719 63.100 0.018 0.000 0.789 235 P CB 1.366 33.037 31.700 -0.048 0.000 0.933 236 V N 0.506 120.535 119.914 0.191 0.000 3.114 236 V HA 0.614 4.949 4.120 0.357 0.000 0.308 236 V C -0.525 175.720 176.094 0.252 0.000 1.168 236 V CA -1.077 61.348 62.300 0.207 0.000 1.015 236 V CB 2.368 34.300 31.823 0.181 0.000 1.050 236 V HN 0.332 nan 8.190 nan 0.000 0.433 237 I N 2.092 122.793 120.570 0.218 0.000 2.448 237 I HA 0.487 4.871 4.170 0.357 0.000 0.281 237 I C -0.977 175.237 176.117 0.162 0.000 1.027 237 I CA -0.722 60.713 61.300 0.225 0.000 1.111 237 I CB 1.980 40.089 38.000 0.182 0.000 1.236 237 I HN 0.443 nan 8.210 nan 0.000 0.452 238 V N 6.459 126.487 119.914 0.189 0.000 2.328 238 V HA 0.666 5.001 4.120 0.357 0.000 0.278 238 V C 0.902 177.049 176.094 0.088 0.000 1.021 238 V CA 0.407 62.741 62.300 0.057 0.000 0.838 238 V CB 0.532 32.283 31.823 -0.121 0.000 0.999 238 V HN 1.099 nan 8.190 nan 0.000 0.447 239 G N 4.884 113.661 108.800 -0.039 0.000 2.720 239 G HA2 -0.300 3.874 3.960 0.357 0.000 0.293 239 G HA3 -0.300 3.874 3.960 0.357 0.000 0.293 239 G C 0.225 174.898 174.900 -0.377 0.000 1.256 239 G CA 0.784 45.778 45.100 -0.176 0.000 0.974 239 G HN 0.855 nan 8.290 nan 0.000 0.551 240 H N 1.078 120.228 119.070 0.134 0.000 2.651 240 H HA 0.530 5.300 4.556 0.357 0.000 0.241 240 H C 0.441 175.837 175.328 0.113 0.000 1.225 240 H CA -0.340 55.776 56.048 0.113 0.000 0.942 240 H CB 0.564 30.376 29.762 0.082 0.000 1.996 240 H HN 0.408 nan 8.280 nan 0.000 0.600 241 R N 0.894 121.526 120.500 0.220 0.000 2.686 241 R HA 0.496 5.050 4.340 0.357 0.000 0.283 241 R C -0.992 175.404 176.300 0.161 0.000 0.978 241 R CA -0.875 55.303 56.100 0.130 0.000 0.897 241 R CB 2.565 32.885 30.300 0.034 0.000 1.192 241 R HN 0.112 nan 8.270 nan 0.000 0.457 242 I N 3.072 123.679 120.570 0.062 0.000 2.315 242 I HA 0.261 4.646 4.170 0.357 0.000 0.291 242 I C -0.776 175.336 176.117 -0.008 0.000 1.006 242 I CA -0.573 60.824 61.300 0.161 0.000 1.265 242 I CB 0.495 38.624 38.000 0.216 0.000 1.387 242 I HN 0.352 nan 8.210 nan 0.000 0.475 243 Y N 7.003 127.309 120.300 0.011 0.000 2.341 243 Y HA 0.590 5.355 4.550 0.357 0.000 0.337 243 Y C -0.034 175.817 175.900 -0.081 0.000 1.014 243 Y CA -0.742 57.246 58.100 -0.186 0.000 1.111 243 Y CB 1.105 39.463 38.460 -0.170 0.000 1.194 243 Y HN 0.454 nan 8.280 nan 0.000 0.462 244 F N 0.133 120.140 119.950 0.094 0.000 2.894 244 F HA 0.871 5.612 4.527 0.357 0.000 0.332 244 F C -1.594 174.243 175.800 0.063 0.000 1.192 244 F CA -2.062 55.958 58.000 0.034 0.000 0.980 244 F CB 1.056 40.033 39.000 -0.040 0.000 1.448 244 F HN 0.129 nan 8.300 nan 0.000 0.514 245 I N 0.418 121.234 120.570 0.411 0.000 2.689 245 I HA 0.677 5.061 4.170 0.357 0.000 0.299 245 I C -0.562 175.741 176.117 0.309 0.000 1.059 245 I CA -0.594 60.890 61.300 0.307 0.000 1.055 245 I CB 2.282 40.400 38.000 0.197 0.000 1.243 245 I HN 0.859 nan 8.210 nan 0.000 0.425 246 T N 1.682 116.396 114.554 0.267 0.000 2.769 246 T HA 0.282 4.846 4.350 0.357 0.000 0.306 246 T C -1.848 172.942 174.700 0.150 0.000 1.400 246 T CA -0.553 61.625 62.100 0.131 0.000 1.007 246 T CB 1.515 70.362 68.868 -0.036 0.000 1.392 246 T HN 0.775 nan 8.240 nan 0.000 0.500 247 D N 2.013 122.481 120.400 0.113 0.000 2.891 247 D HA 0.164 5.019 4.640 0.357 0.000 0.332 247 D C 1.203 177.559 176.300 0.093 0.000 1.369 247 D CA -0.407 53.665 54.000 0.120 0.000 0.827 247 D CB -0.481 40.422 40.800 0.172 0.000 1.141 247 D HN 0.493 nan 8.370 nan 0.000 0.464 248 I N 0.047 120.637 120.570 0.033 0.000 2.454 248 I HA -0.213 4.172 4.170 0.357 0.000 0.254 248 I C 0.515 176.668 176.117 0.059 0.000 1.156 248 I CA 1.265 62.569 61.300 0.008 0.000 1.433 248 I CB 0.365 38.318 38.000 -0.078 0.000 1.082 248 I HN -0.161 nan 8.210 nan 0.000 0.432 249 D N 0.623 121.091 120.400 0.115 0.000 2.340 249 D HA 0.149 5.003 4.640 0.357 0.000 0.220 249 D C 1.434 177.806 176.300 0.121 0.000 1.039 249 D CA 1.045 55.117 54.000 0.119 0.000 0.866 249 D CB 0.533 41.423 40.800 0.151 0.000 0.913 249 D HN 0.549 nan 8.370 nan 0.000 0.523 250 G N -0.380 108.504 108.800 0.141 0.000 2.192 250 G HA2 -0.193 3.981 3.960 0.357 0.000 0.193 250 G HA3 -0.193 3.981 3.960 0.357 0.000 0.193 250 G C 0.067 175.123 174.900 0.260 0.000 0.999 250 G CA -0.277 44.928 45.100 0.175 0.000 0.659 250 G HN 0.292 nan 8.290 nan 0.000 0.503 251 F N 0.228 120.163 119.950 -0.026 0.000 2.693 251 F HA 0.586 5.327 4.527 0.357 0.000 0.309 251 F C 0.407 176.016 175.800 -0.319 0.000 1.129 251 F CA -0.092 57.739 58.000 -0.282 0.000 0.948 251 F CB 1.054 39.911 39.000 -0.239 0.000 1.315 251 F HN 0.400 nan 8.300 nan 0.000 0.447 252 G N 3.240 111.282 108.800 -1.264 0.000 2.378 252 G HA2 0.514 4.688 3.960 0.357 0.000 0.255 252 G HA3 0.514 4.688 3.960 0.357 0.000 0.255 252 G C -1.231 173.687 174.900 0.030 0.000 1.270 252 G CA -0.073 44.769 45.100 -0.429 0.000 0.876 252 G HN 0.445 nan 8.290 nan 0.000 0.521 253 Q N 0.532 120.438 119.800 0.177 0.000 2.590 253 Q HA 0.384 4.939 4.340 0.357 0.000 0.295 253 Q C -0.667 175.383 176.000 0.084 0.000 0.973 253 Q CA -0.702 55.169 55.803 0.112 0.000 0.768 253 Q CB 2.212 30.931 28.738 -0.032 0.000 1.479 253 Q HN 0.539 nan 8.270 nan 0.000 0.419 254 I N 1.167 121.620 120.570 -0.195 0.000 2.385 254 I HA 0.435 4.820 4.170 0.357 0.000 0.294 254 I C -0.833 175.115 176.117 -0.282 0.000 0.988 254 I CA -0.455 60.712 61.300 -0.221 0.000 1.265 254 I CB 0.661 38.362 38.000 -0.499 0.000 1.388 254 I HN 0.435 nan 8.210 nan 0.000 0.480 255 Y N 2.512 122.610 120.300 -0.337 0.000 2.705 255 Y HA 0.667 5.431 4.550 0.357 0.000 0.332 255 Y C 0.047 175.492 175.900 -0.759 0.000 1.157 255 Y CA -0.825 57.063 58.100 -0.354 0.000 1.091 255 Y CB 1.942 40.126 38.460 -0.460 0.000 1.301 255 Y HN 0.589 nan 8.280 nan 0.000 0.488 256 S N -0.680 114.765 115.700 -0.424 0.000 2.587 256 S HA 0.846 5.531 4.470 0.357 0.000 0.269 256 S C -1.123 173.313 174.600 -0.274 0.000 1.154 256 S CA -0.395 57.399 58.200 -0.677 0.000 0.824 256 S CB 1.899 64.291 63.200 -1.347 0.000 1.118 256 S HN 1.126 nan 8.310 nan 0.000 0.462 257 T N -1.649 112.805 114.554 -0.166 0.000 2.840 257 T HA 0.637 5.201 4.350 0.357 0.000 0.317 257 T C -1.218 173.482 174.700 -0.000 0.000 1.401 257 T CA -0.637 61.454 62.100 -0.015 0.000 1.028 257 T CB 0.767 69.693 68.868 0.097 0.000 1.317 257 T HN 0.862 nan 8.240 nan 0.000 0.495 258 D N 0.974 121.387 120.400 0.021 0.000 2.369 258 D HA 0.143 4.997 4.640 0.357 0.000 0.241 258 D C 1.161 177.496 176.300 0.058 0.000 1.271 258 D CA -0.831 53.197 54.000 0.046 0.000 0.942 258 D CB 0.240 41.061 40.800 0.036 0.000 1.129 258 D HN 0.557 nan 8.370 nan 0.000 0.476 259 L N -0.500 120.767 121.223 0.073 0.000 2.821 259 L HA 0.028 4.582 4.340 0.357 0.000 0.254 259 L C 0.382 177.274 176.870 0.036 0.000 1.151 259 L CA 0.728 55.610 54.840 0.070 0.000 0.937 259 L CB -0.651 41.461 42.059 0.087 0.000 1.141 259 L HN 0.390 nan 8.230 nan 0.000 0.425 260 D N -0.360 120.054 120.400 0.023 0.000 2.594 260 D HA 0.123 4.977 4.640 0.357 0.000 0.256 260 D C 1.367 177.659 176.300 -0.013 0.000 1.393 260 D CA 0.592 54.591 54.000 -0.001 0.000 0.797 260 D CB 1.219 42.016 40.800 -0.006 0.000 1.110 260 D HN 0.278 nan 8.370 nan 0.000 0.495 261 G N 1.814 110.615 108.800 0.003 0.000 2.180 261 G HA2 -0.290 3.884 3.960 0.357 0.000 0.263 261 G HA3 -0.290 3.884 3.960 0.357 0.000 0.263 261 G C 0.558 175.458 174.900 0.001 0.000 0.989 261 G CA 0.684 45.782 45.100 -0.003 0.000 0.692 261 G HN 0.111 nan 8.290 nan 0.000 0.526 262 K N 0.022 120.424 120.400 0.004 0.000 2.210 262 K HA 0.538 5.073 4.320 0.357 0.000 0.236 262 K C 0.493 177.098 176.600 0.008 0.000 1.016 262 K CA -0.375 55.913 56.287 0.000 0.000 0.913 262 K CB 0.536 33.032 32.500 -0.007 0.000 1.141 262 K HN 0.160 nan 8.250 nan 0.000 0.462 263 D N 0.833 121.234 120.400 0.003 0.000 2.760 263 D HA -0.179 4.676 4.640 0.357 0.000 0.244 263 D C -0.911 175.390 176.300 0.002 0.000 1.123 263 D CA 0.169 54.169 54.000 -0.000 0.000 0.719 263 D CB -0.856 39.944 40.800 0.000 0.000 1.045 263 D HN 0.385 nan 8.370 nan 0.000 0.426 264 L N 1.323 122.555 121.223 0.015 0.000 2.456 264 L HA 0.426 4.981 4.340 0.357 0.000 0.272 264 L C 0.334 177.213 176.870 0.014 0.000 1.189 264 L CA 0.665 55.530 54.840 0.042 0.000 0.846 264 L CB 0.504 42.603 42.059 0.068 0.000 1.111 264 L HN 0.259 nan 8.230 nan 0.000 0.475 265 R N 3.752 124.253 120.500 0.002 0.000 2.604 265 R HA 0.355 4.909 4.340 0.357 0.000 0.281 265 R C -1.299 174.824 176.300 -0.296 0.000 1.020 265 R CA -0.951 55.043 56.100 -0.176 0.000 0.899 265 R CB 1.676 31.773 30.300 -0.339 0.000 1.205 265 R HN 0.530 nan 8.270 nan 0.000 0.450 266 K N 2.265 122.406 120.400 -0.433 0.000 2.253 266 K HA 0.211 4.746 4.320 0.357 0.000 0.277 266 K C -0.292 175.913 176.600 -0.658 0.000 1.053 266 K CA -0.218 55.593 56.287 -0.793 0.000 0.892 266 K CB 0.623 32.805 32.500 -0.530 0.000 1.102 266 K HN 0.635 nan 8.250 nan 0.000 0.469 267 H N 0.630 119.372 119.070 -0.546 0.000 2.337 267 H HA 0.015 4.786 4.556 0.357 0.000 0.311 267 H C 0.573 175.664 175.328 -0.395 0.000 1.054 267 H CA 1.156 56.997 56.048 -0.345 0.000 1.385 267 H CB 0.079 29.637 29.762 -0.341 0.000 1.437 267 H HN 0.680 nan 8.280 nan 0.000 0.553 268 T N -1.376 112.903 114.554 -0.459 0.000 2.847 268 T HA 0.440 5.004 4.350 0.357 0.000 0.279 268 T C 0.528 174.851 174.700 -0.629 0.000 0.984 268 T CA -0.547 61.132 62.100 -0.702 0.000 0.988 268 T CB 1.388 69.489 68.868 -1.278 0.000 1.040 268 T HN 0.158 nan 8.240 nan 0.000 0.528 269 S N -0.114 115.173 115.700 -0.689 0.000 2.941 269 S HA 0.305 4.989 4.470 0.357 0.000 0.248 269 S C -0.168 174.274 174.600 -0.263 0.000 0.962 269 S CA -0.776 57.201 58.200 -0.372 0.000 1.092 269 S CB -0.542 62.514 63.200 -0.241 0.000 1.113 269 S HN 0.637 nan 8.310 nan 0.000 0.512 270 F N 2.432 122.347 119.950 -0.057 0.000 2.657 270 F HA 0.093 4.834 4.527 0.357 0.000 0.347 270 F C 2.046 177.627 175.800 -0.364 0.000 1.180 270 F CA 0.793 58.753 58.000 -0.067 0.000 1.383 270 F CB 0.495 39.563 39.000 0.113 0.000 1.077 270 F HN 0.289 nan 8.300 nan 0.000 0.622 271 T N -4.670 109.732 114.554 -0.254 0.000 3.073 271 T HA 0.006 4.570 4.350 0.357 0.000 0.264 271 T C 0.886 175.257 174.700 -0.548 0.000 0.893 271 T CA 0.227 61.863 62.100 -0.774 0.000 0.863 271 T CB -0.189 68.425 68.868 -0.425 0.000 1.247 271 T HN 0.574 nan 8.240 nan 0.000 0.546 272 D N 1.234 121.527 120.400 -0.179 0.000 2.106 272 D HA 0.052 4.907 4.640 0.357 0.000 0.203 272 D C -0.008 176.063 176.300 -0.382 0.000 0.977 272 D CA 0.994 54.848 54.000 -0.244 0.000 0.844 272 D CB -0.325 40.436 40.800 -0.065 0.000 1.002 272 D HN 0.552 nan 8.370 nan 0.000 0.461 273 Y N -1.903 118.585 120.300 0.314 0.000 2.544 273 Y HA 0.354 5.119 4.550 0.357 0.000 0.342 273 Y C -0.805 175.298 175.900 0.339 0.000 1.062 273 Y CA -1.527 56.786 58.100 0.356 0.000 1.023 273 Y CB 1.080 39.611 38.460 0.119 0.000 1.308 273 Y HN -0.236 nan 8.280 nan 0.000 0.457 274 Y N 3.775 124.145 120.300 0.118 0.000 2.597 274 Y HA 0.128 4.892 4.550 0.358 0.000 0.336 274 Y C -1.996 173.916 175.900 0.021 0.000 1.216 274 Y CA -1.973 56.075 58.100 -0.087 0.000 1.463 274 Y CB -0.066 38.298 38.460 -0.159 0.000 1.303 274 Y HN 0.231 nan 8.280 nan 0.000 0.576 275 P HA 0.362 nan 4.420 nan 0.000 0.281 275 P C -0.664 176.756 177.300 0.201 0.000 1.249 275 P CA -0.427 62.715 63.100 0.071 0.000 0.810 275 P CB 1.622 33.249 31.700 -0.122 0.000 1.008 276 R N 0.215 120.887 120.500 0.288 0.000 2.734 276 R HA 0.285 4.840 4.340 0.357 0.000 0.271 276 R C -0.577 175.980 176.300 0.429 0.000 1.021 276 R CA -0.967 55.324 56.100 0.320 0.000 0.893 276 R CB 0.184 30.664 30.300 0.300 0.000 1.244 276 R HN 0.740 nan 8.270 nan 0.000 0.464 277 H N 0.385 119.622 119.070 0.279 0.000 2.765 277 H HA -0.132 4.638 4.556 0.357 0.000 0.332 277 H C -0.852 174.663 175.328 0.312 0.000 1.180 277 H CA 0.192 56.417 56.048 0.295 0.000 1.142 277 H CB -0.925 29.005 29.762 0.280 0.000 1.576 277 H HN 0.367 nan 8.280 nan 0.000 0.420 278 L N 1.992 123.374 121.223 0.265 0.000 2.426 278 L HA 0.239 4.794 4.340 0.357 0.000 0.271 278 L C 0.797 177.801 176.870 0.223 0.000 1.169 278 L CA 0.597 55.592 54.840 0.258 0.000 0.836 278 L CB 0.799 42.961 42.059 0.172 0.000 1.112 278 L HN 0.624 nan 8.230 nan 0.000 0.465 279 N N 0.466 119.328 118.700 0.270 0.000 2.367 279 N HA 0.422 5.376 4.740 0.357 0.000 0.278 279 N C -1.306 174.349 175.510 0.242 0.000 1.117 279 N CA -0.446 52.758 53.050 0.257 0.000 0.867 279 N CB 2.545 41.216 38.487 0.307 0.000 1.649 279 N HN 0.491 nan 8.380 nan 0.000 0.479 280 T N -1.058 113.622 114.554 0.211 0.000 2.804 280 T HA 0.318 4.883 4.350 0.357 0.000 0.290 280 T C -1.120 173.668 174.700 0.147 0.000 1.099 280 T CA -0.384 61.811 62.100 0.158 0.000 1.011 280 T CB 1.191 70.121 68.868 0.103 0.000 1.291 280 T HN 0.689 nan 8.240 nan 0.000 0.523 281 D N -1.276 119.169 120.400 0.075 0.000 2.520 281 D HA 0.328 5.182 4.640 0.357 0.000 0.223 281 D C 1.255 177.548 176.300 -0.012 0.000 1.186 281 D CA 0.806 54.820 54.000 0.024 0.000 0.821 281 D CB 0.166 40.906 40.800 -0.100 0.000 1.072 281 D HN 1.023 nan 8.370 nan 0.000 0.518 282 G N 0.633 109.435 108.800 0.004 0.000 2.278 282 G HA2 -0.294 3.880 3.960 0.357 0.000 0.210 282 G HA3 -0.294 3.880 3.960 0.357 0.000 0.210 282 G C 1.292 176.169 174.900 -0.040 0.000 1.000 282 G CA 0.160 45.253 45.100 -0.011 0.000 0.635 282 G HN 0.366 nan 8.290 nan 0.000 0.495 283 R N -0.035 120.432 120.500 -0.055 0.000 2.009 283 R HA 0.430 4.984 4.340 0.357 0.000 0.206 283 R C 0.893 177.148 176.300 -0.074 0.000 1.356 283 R CA 0.390 56.449 56.100 -0.068 0.000 1.088 283 R CB 0.173 30.427 30.300 -0.076 0.000 0.959 283 R HN 0.284 nan 8.270 nan 0.000 0.469 284 R N 0.461 120.930 120.500 -0.051 0.000 2.787 284 R HA 0.477 5.031 4.340 0.357 0.000 0.271 284 R C -0.580 175.743 176.300 0.038 0.000 0.993 284 R CA -0.516 55.564 56.100 -0.033 0.000 0.993 284 R CB 1.513 31.801 30.300 -0.019 0.000 1.155 284 R HN 0.043 nan 8.270 nan 0.000 0.486 285 I N 1.862 122.496 120.570 0.106 0.000 2.437 285 I HA 0.314 4.698 4.170 0.357 0.000 0.298 285 I C -0.765 175.547 176.117 0.324 0.000 0.984 285 I CA -0.927 60.495 61.300 0.204 0.000 1.214 285 I CB 1.421 39.552 38.000 0.218 0.000 1.365 285 I HN 0.224 nan 8.210 nan 0.000 0.469 286 L N 7.366 128.790 121.223 0.335 0.000 2.333 286 L HA 0.761 5.315 4.340 0.357 0.000 0.269 286 L C -0.929 176.240 176.870 0.498 0.000 1.010 286 L CA -0.309 54.731 54.840 0.334 0.000 0.818 286 L CB 1.635 43.846 42.059 0.254 0.000 1.306 286 L HN 0.572 nan 8.230 nan 0.000 0.430 287 F N -0.046 120.040 119.950 0.225 0.000 2.900 287 F HA 0.749 5.490 4.527 0.357 0.000 0.321 287 F C -1.328 174.595 175.800 0.204 0.000 1.160 287 F CA -0.587 57.549 58.000 0.228 0.000 0.890 287 F CB 0.808 39.924 39.000 0.194 0.000 1.334 287 F HN 0.517 nan 8.300 nan 0.000 0.459 288 S N 0.780 116.673 115.700 0.322 0.000 2.568 288 S HA 0.818 5.503 4.470 0.357 0.000 0.293 288 S C -1.409 173.314 174.600 0.205 0.000 1.089 288 S CA -0.792 57.498 58.200 0.150 0.000 0.945 288 S CB 2.261 65.533 63.200 0.119 0.000 1.077 288 S HN 1.055 nan 8.310 nan 0.000 0.485 289 K N 0.270 120.718 120.400 0.081 0.000 2.561 289 K HA 0.502 5.037 4.320 0.357 0.000 0.254 289 K C 0.558 177.116 176.600 -0.069 0.000 0.942 289 K CA 0.013 56.289 56.287 -0.018 0.000 0.818 289 K CB 0.969 33.295 32.500 -0.290 0.000 1.306 289 K HN 1.470 nan 8.250 nan 0.000 0.435 290 G N 2.233 110.906 108.800 -0.211 0.000 2.309 290 G HA2 -0.249 3.926 3.960 0.357 0.000 0.286 290 G HA3 -0.249 3.926 3.960 0.357 0.000 0.286 290 G C 0.791 175.451 174.900 -0.401 0.000 1.002 290 G CA 1.028 45.693 45.100 -0.725 0.000 0.786 290 G HN 1.665 nan 8.290 nan 0.000 0.511 291 G N -2.836 105.851 108.800 -0.188 0.000 2.176 291 G HA2 0.018 4.192 3.960 0.357 0.000 0.232 291 G HA3 0.018 4.192 3.960 0.357 0.000 0.232 291 G C 0.309 175.145 174.900 -0.105 0.000 0.986 291 G CA 0.636 45.657 45.100 -0.131 0.000 0.643 291 G HN 1.673 nan 8.290 nan 0.000 0.522 292 S N -0.018 115.655 115.700 -0.045 0.000 2.648 292 S HA 0.825 5.509 4.470 0.357 0.000 0.305 292 S C -0.140 174.396 174.600 -0.105 0.000 1.094 292 S CA -0.782 57.352 58.200 -0.110 0.000 0.983 292 S CB 1.703 64.840 63.200 -0.104 0.000 1.101 292 S HN 0.284 nan 8.310 nan 0.000 0.514 293 I N 2.362 122.729 120.570 -0.338 0.000 2.354 293 I HA 0.413 4.797 4.170 0.357 0.000 0.292 293 I C -0.978 174.836 176.117 -0.505 0.000 0.989 293 I CA -0.453 60.645 61.300 -0.337 0.000 1.188 293 I CB 0.284 38.029 38.000 -0.426 0.000 1.342 293 I HN 0.579 nan 8.210 nan 0.000 0.457 294 Y N 5.722 125.634 120.300 -0.646 0.000 2.621 294 Y HA 0.659 5.423 4.550 0.357 0.000 0.334 294 Y C 0.287 175.858 175.900 -0.548 0.000 1.074 294 Y CA -0.847 56.845 58.100 -0.681 0.000 1.149 294 Y CB 1.917 39.782 38.460 -0.992 0.000 1.302 294 Y HN 0.305 nan 8.280 nan 0.000 0.501 295 I N 1.238 121.804 120.570 -0.007 0.000 2.730 295 I HA 0.335 4.719 4.170 0.357 0.000 0.298 295 I C -1.671 174.702 176.117 0.427 0.000 1.089 295 I CA -0.875 60.530 61.300 0.176 0.000 1.041 295 I CB 2.519 40.560 38.000 0.067 0.000 1.235 295 I HN 0.429 nan 8.210 nan 0.000 0.423 296 F N 5.463 125.577 119.950 0.274 0.000 2.539 296 F HA 0.402 5.143 4.527 0.357 0.000 0.318 296 F C -0.688 175.143 175.800 0.053 0.000 1.135 296 F CA -0.505 57.615 58.000 0.200 0.000 0.915 296 F CB 1.423 40.550 39.000 0.212 0.000 1.176 296 F HN 0.398 nan 8.300 nan 0.000 0.440 297 N N 7.600 125.933 118.700 -0.613 0.000 2.437 297 N HA 0.313 5.267 4.740 0.357 0.000 0.259 297 N C -2.152 172.858 175.510 -0.835 0.000 0.983 297 N CA -1.949 50.796 53.050 -0.508 0.000 0.937 297 N CB 1.839 40.158 38.487 -0.281 0.000 1.122 297 N HN 0.309 nan 8.380 nan 0.000 0.499 298 P HA -0.149 nan 4.420 nan 0.000 0.216 298 P C 0.183 177.367 177.300 -0.194 0.000 1.150 298 P CA 1.118 63.988 63.100 -0.384 0.000 0.843 298 P CB 0.324 31.874 31.700 -0.251 0.000 0.787 299 D N -1.443 118.855 120.400 -0.169 0.000 2.075 299 D HA -0.090 4.764 4.640 0.357 0.000 0.196 299 D C 1.921 178.163 176.300 -0.098 0.000 0.985 299 D CA 1.543 55.491 54.000 -0.087 0.000 0.834 299 D CB -1.272 39.486 40.800 -0.071 0.000 0.987 299 D HN 0.093 nan 8.370 nan 0.000 0.452 300 T N 0.039 114.508 114.554 -0.142 0.000 2.915 300 T HA -0.125 4.440 4.350 0.357 0.000 0.269 300 T C 0.927 175.549 174.700 -0.129 0.000 1.071 300 T CA 1.144 63.176 62.100 -0.114 0.000 1.132 300 T CB -0.003 68.799 68.868 -0.110 0.000 0.878 300 T HN 0.362 nan 8.240 nan 0.000 0.479 301 E N 0.149 120.181 120.200 -0.281 0.000 3.070 301 E HA -0.200 4.364 4.350 0.357 0.000 0.285 301 E C 0.031 176.559 176.600 -0.121 0.000 0.972 301 E CA 0.388 56.627 56.400 -0.268 0.000 0.915 301 E CB -0.865 28.868 29.700 0.054 0.000 1.466 301 E HN 0.468 nan 8.360 nan 0.000 0.432 302 K N 0.979 121.274 120.400 -0.174 0.000 2.172 302 K HA 0.475 5.009 4.320 0.357 0.000 0.276 302 K C -0.273 176.385 176.600 0.096 0.000 1.013 302 K CA -0.487 55.797 56.287 -0.006 0.000 0.913 302 K CB 0.705 33.196 32.500 -0.016 0.000 1.055 302 K HN 0.133 nan 8.250 nan 0.000 0.461 303 I N 4.628 125.339 120.570 0.234 0.000 2.354 303 I HA 0.198 4.582 4.170 0.357 0.000 0.292 303 I C -0.337 175.954 176.117 0.290 0.000 0.989 303 I CA -0.428 61.102 61.300 0.383 0.000 1.188 303 I CB 1.461 39.751 38.000 0.484 0.000 1.342 303 I HN 0.650 nan 8.210 nan 0.000 0.457 304 E N 6.040 126.395 120.200 0.259 0.000 2.314 304 E HA 0.397 4.961 4.350 0.357 0.000 0.272 304 E C -1.305 175.292 176.600 -0.006 0.000 0.884 304 E CA -1.201 55.272 56.400 0.122 0.000 0.753 304 E CB 2.582 32.307 29.700 0.042 0.000 1.213 304 E HN 0.381 nan 8.360 nan 0.000 0.432 305 K N 3.788 124.076 120.400 -0.187 0.000 2.234 305 K HA 0.309 4.843 4.320 0.357 0.000 0.282 305 K C -0.514 175.835 176.600 -0.418 0.000 1.039 305 K CA -0.514 55.402 56.287 -0.619 0.000 0.928 305 K CB 0.732 32.817 32.500 -0.691 0.000 1.039 305 K HN 0.543 nan 8.250 nan 0.000 0.470 306 I N 3.734 124.015 120.570 -0.483 0.000 2.519 306 I HA 0.068 4.452 4.170 0.357 0.000 0.287 306 I C 0.371 176.259 176.117 -0.381 0.000 1.047 306 I CA -0.477 60.587 61.300 -0.393 0.000 1.381 306 I CB 1.118 38.842 38.000 -0.461 0.000 1.417 306 I HN 0.524 nan 8.210 nan 0.000 0.540 307 E N 6.640 126.675 120.200 -0.275 0.000 2.200 307 E HA 0.350 4.914 4.350 0.357 0.000 0.283 307 E C 0.380 176.884 176.600 -0.160 0.000 1.015 307 E CA -0.054 56.232 56.400 -0.189 0.000 0.819 307 E CB 2.204 31.849 29.700 -0.092 0.000 1.081 307 E HN 0.541 nan 8.360 nan 0.000 0.397 308 I N 0.559 121.032 120.570 -0.162 0.000 4.706 308 I HA 0.138 4.522 4.170 0.357 0.000 0.321 308 I C 1.085 177.166 176.117 -0.059 0.000 1.249 308 I CA 0.287 61.536 61.300 -0.085 0.000 1.321 308 I CB 0.401 38.259 38.000 -0.236 0.000 1.342 308 I HN 0.666 nan 8.210 nan 0.000 0.463 309 G N 2.101 110.842 108.800 -0.097 0.000 2.692 309 G HA2 -0.236 3.938 3.960 0.357 0.000 0.248 309 G HA3 -0.236 3.938 3.960 0.357 0.000 0.248 309 G C -0.714 174.137 174.900 -0.082 0.000 1.340 309 G CA -0.345 44.710 45.100 -0.074 0.000 0.896 309 G HN 0.277 nan 8.290 nan 0.000 0.570 310 D N -0.046 120.320 120.400 -0.058 0.000 2.506 310 D HA 0.370 5.225 4.640 0.357 0.000 0.234 310 D C 1.468 177.731 176.300 -0.063 0.000 1.143 310 D CA 0.517 54.484 54.000 -0.056 0.000 0.871 310 D CB 0.856 41.640 40.800 -0.027 0.000 1.190 310 D HN 0.447 nan 8.370 nan 0.000 0.459 311 L N 0.477 121.641 121.223 -0.098 0.000 2.688 311 L HA 0.269 4.823 4.340 0.357 0.000 0.216 311 L C 0.571 177.474 176.870 0.054 0.000 1.036 311 L CA -0.020 54.733 54.840 -0.146 0.000 0.906 311 L CB 0.508 42.195 42.059 -0.621 0.000 1.501 311 L HN 0.365 nan 8.230 nan 0.000 0.489 312 E N -0.305 119.921 120.200 0.044 0.000 2.321 312 E HA 0.314 4.878 4.350 0.357 0.000 0.281 312 E C -1.454 175.192 176.600 0.076 0.000 0.910 312 E CA -0.138 56.345 56.400 0.138 0.000 0.770 312 E CB 2.285 32.156 29.700 0.285 0.000 1.225 312 E HN -0.145 nan 8.360 nan 0.000 0.417 313 S N 5.076 120.814 115.700 0.064 0.000 2.279 313 S HA 0.347 5.031 4.470 0.357 0.000 0.176 313 S C -2.213 172.405 174.600 0.030 0.000 1.554 313 S CA -0.999 57.220 58.200 0.033 0.000 1.242 313 S CB 0.593 63.798 63.200 0.008 0.000 1.163 313 S HN 0.480 nan 8.310 nan 0.000 0.449 314 P HA 0.185 nan 4.420 nan 0.000 0.272 314 P C -0.286 177.016 177.300 0.004 0.000 1.254 314 P CA -0.352 62.764 63.100 0.027 0.000 0.795 314 P CB 0.447 32.169 31.700 0.038 0.000 1.022 315 E N 0.275 120.474 120.200 -0.000 0.000 2.498 315 E HA -0.084 4.481 4.350 0.357 0.000 0.252 315 E C 0.681 177.267 176.600 -0.023 0.000 1.025 315 E CA 0.462 56.856 56.400 -0.010 0.000 0.938 315 E CB -0.335 29.360 29.700 -0.007 0.000 0.947 315 E HN 0.354 nan 8.360 nan 0.000 0.478 316 D N 3.572 123.958 120.400 -0.023 0.000 2.178 316 D HA -0.142 4.712 4.640 0.357 0.000 0.202 316 D C 0.408 176.693 176.300 -0.025 0.000 0.974 316 D CA 0.705 54.692 54.000 -0.022 0.000 0.841 316 D CB 0.229 41.038 40.800 0.015 0.000 0.953 316 D HN 0.294 nan 8.370 nan 0.000 0.478 317 R N 0.751 121.241 120.500 -0.017 0.000 2.220 317 R HA 0.298 4.853 4.340 0.357 0.000 0.340 317 R C -0.345 175.936 176.300 -0.032 0.000 1.076 317 R CA -0.355 55.731 56.100 -0.023 0.000 0.920 317 R CB 0.042 30.336 30.300 -0.010 0.000 1.062 317 R HN 0.260 nan 8.270 nan 0.000 0.469 318 I N 1.514 122.055 120.570 -0.049 0.000 2.607 318 I HA 0.514 4.899 4.170 0.357 0.000 0.305 318 I C -0.586 175.512 176.117 -0.032 0.000 0.995 318 I CA -1.098 60.176 61.300 -0.043 0.000 1.148 318 I CB 1.815 39.776 38.000 -0.066 0.000 1.323 318 I HN 0.419 nan 8.210 nan 0.000 0.461 319 I N 3.707 124.269 120.570 -0.014 0.000 2.378 319 I HA 0.420 4.805 4.170 0.357 0.000 0.291 319 I C -0.162 175.968 176.117 0.021 0.000 0.992 319 I CA -0.124 61.177 61.300 0.001 0.000 1.154 319 I CB 1.850 39.852 38.000 0.005 0.000 1.315 319 I HN 0.664 nan 8.210 nan 0.000 0.448 320 S N 5.850 121.573 115.700 0.038 0.000 2.634 320 S HA 0.620 5.304 4.470 0.357 0.000 0.296 320 S C -0.361 174.322 174.600 0.140 0.000 1.104 320 S CA -0.646 57.622 58.200 0.112 0.000 0.920 320 S CB 2.066 65.313 63.200 0.078 0.000 1.111 320 S HN 0.353 nan 8.310 nan 0.000 0.493 321 I N 3.936 124.631 120.570 0.208 0.000 2.291 321 I HA 0.216 4.601 4.170 0.357 0.000 0.292 321 I C -1.260 174.961 176.117 0.173 0.000 1.064 321 I CA -2.064 59.309 61.300 0.123 0.000 1.269 321 I CB 1.235 39.266 38.000 0.052 0.000 1.418 321 I HN 0.485 nan 8.210 nan 0.000 0.485 322 P HA -0.288 nan 4.420 nan 0.000 0.218 322 P C 1.554 178.917 177.300 0.104 0.000 1.154 322 P CA 1.843 65.037 63.100 0.157 0.000 0.872 322 P CB 0.101 31.835 31.700 0.058 0.000 0.790 323 S N -0.474 115.205 115.700 -0.035 0.000 2.382 323 S HA -0.125 4.559 4.470 0.357 0.000 0.228 323 S C 1.962 176.495 174.600 -0.112 0.000 1.027 323 S CA 0.908 59.050 58.200 -0.097 0.000 0.991 323 S CB -0.878 62.242 63.200 -0.134 0.000 0.823 323 S HN 0.003 nan 8.310 nan 0.000 0.469 324 K N 0.573 120.857 120.400 -0.194 0.000 2.360 324 K HA 0.074 4.609 4.320 0.357 0.000 0.201 324 K C 0.389 176.515 176.600 -0.789 0.000 1.046 324 K CA 0.866 56.839 56.287 -0.524 0.000 0.945 324 K CB -0.395 31.652 32.500 -0.755 0.000 0.750 324 K HN 0.675 nan 8.250 nan 0.000 0.464 325 F N -0.855 119.133 119.950 0.064 0.000 2.825 325 F HA 0.329 5.070 4.527 0.357 0.000 0.322 325 F C 0.710 176.591 175.800 0.134 0.000 1.127 325 F CA -0.712 57.341 58.000 0.088 0.000 1.164 325 F CB 0.038 39.089 39.000 0.083 0.000 1.101 325 F HN -0.247 nan 8.300 nan 0.000 0.529 326 A N 1.582 124.553 122.820 0.251 0.000 2.366 326 A HA 0.576 5.110 4.320 0.357 0.000 0.250 326 A C 0.254 178.005 177.584 0.278 0.000 1.099 326 A CA 0.327 52.547 52.037 0.304 0.000 0.794 326 A CB 0.190 19.283 19.000 0.155 0.000 1.056 326 A HN 0.553 nan 8.150 nan 0.000 0.499 327 E N -1.583 118.828 120.200 0.351 0.000 2.377 327 E HA 0.343 4.907 4.350 0.357 0.000 0.277 327 E C -0.883 175.887 176.600 0.283 0.000 1.190 327 E CA -0.285 56.290 56.400 0.292 0.000 0.917 327 E CB -0.049 29.767 29.700 0.193 0.000 1.296 327 E HN 0.480 nan 8.360 nan 0.000 0.417 328 D N -0.221 120.263 120.400 0.140 0.000 2.772 328 D HA -0.191 4.664 4.640 0.357 0.000 0.233 328 D C -0.738 175.588 176.300 0.043 0.000 1.143 328 D CA 1.186 55.210 54.000 0.039 0.000 0.700 328 D CB -1.471 39.419 40.800 0.149 0.000 1.076 328 D HN 0.473 nan 8.370 nan 0.000 0.430 329 F N -0.621 119.452 119.950 0.205 0.000 2.578 329 F HA 0.484 5.226 4.527 0.358 0.000 0.381 329 F C 0.637 176.533 175.800 0.160 0.000 1.069 329 F CA -0.591 57.532 58.000 0.205 0.000 1.231 329 F CB 0.823 39.898 39.000 0.125 0.000 1.086 329 F HN -0.030 nan 8.300 nan 0.000 0.564 330 S N 4.848 120.695 115.700 0.245 0.000 2.548 330 S HA 0.610 5.294 4.470 0.357 0.000 0.276 330 S C -3.070 171.642 174.600 0.187 0.000 1.129 330 S CA -1.541 56.752 58.200 0.155 0.000 0.931 330 S CB 1.923 65.182 63.200 0.099 0.000 1.068 330 S HN 0.609 nan 8.310 nan 0.000 0.480 331 P HA 0.396 nan 4.420 nan 0.000 0.285 331 P C -0.786 176.580 177.300 0.111 0.000 1.259 331 P CA -0.491 62.683 63.100 0.124 0.000 0.794 331 P CB 0.952 32.708 31.700 0.093 0.000 0.940 332 L N 1.443 122.733 121.223 0.112 0.000 2.558 332 L HA 0.524 5.078 4.340 0.357 0.000 0.260 332 L C 0.690 177.623 176.870 0.105 0.000 1.130 332 L CA -1.081 53.834 54.840 0.125 0.000 1.049 332 L CB 0.266 42.422 42.059 0.161 0.000 1.758 332 L HN 0.197 nan 8.230 nan 0.000 0.555 333 D N -0.239 120.237 120.400 0.126 0.000 2.411 333 D HA 0.303 5.157 4.640 0.357 0.000 0.251 333 D C 0.808 177.164 176.300 0.093 0.000 1.201 333 D CA 0.747 54.807 54.000 0.100 0.000 0.996 333 D CB 0.603 41.463 40.800 0.100 0.000 1.101 333 D HN 0.776 nan 8.370 nan 0.000 0.504 334 G N 0.748 109.590 108.800 0.069 0.000 2.269 334 G HA2 -0.354 3.820 3.960 0.357 0.000 0.277 334 G HA3 -0.354 3.820 3.960 0.357 0.000 0.277 334 G C 0.371 175.296 174.900 0.041 0.000 1.008 334 G CA 0.948 46.080 45.100 0.053 0.000 0.774 334 G HN 0.794 nan 8.290 nan 0.000 0.511 335 D N -2.033 118.395 120.400 0.047 0.000 2.746 335 D HA -0.171 4.684 4.640 0.357 0.000 0.236 335 D C 0.602 176.928 176.300 0.044 0.000 1.129 335 D CA 1.432 55.458 54.000 0.044 0.000 0.691 335 D CB -1.270 39.553 40.800 0.038 0.000 1.077 335 D HN 0.745 nan 8.370 nan 0.000 0.432 336 L N -0.261 120.990 121.223 0.046 0.000 2.365 336 L HA 0.653 5.208 4.340 0.357 0.000 0.267 336 L C 0.972 177.883 176.870 0.068 0.000 1.033 336 L CA -1.058 53.800 54.840 0.030 0.000 0.802 336 L CB 1.296 43.332 42.059 -0.038 0.000 1.267 336 L HN -0.018 nan 8.230 nan 0.000 0.457 337 I N 0.255 120.877 120.570 0.086 0.000 2.785 337 I HA 0.632 5.017 4.170 0.357 0.000 0.302 337 I C -0.656 175.584 176.117 0.204 0.000 1.069 337 I CA -0.621 60.774 61.300 0.158 0.000 1.045 337 I CB 2.247 40.350 38.000 0.172 0.000 1.236 337 I HN 0.586 nan 8.210 nan 0.000 0.429 338 A N 5.124 128.100 122.820 0.259 0.000 2.414 338 A HA 0.932 5.466 4.320 0.357 0.000 0.306 338 A C -1.232 176.587 177.584 0.393 0.000 1.054 338 A CA -0.373 51.822 52.037 0.263 0.000 0.724 338 A CB 1.391 20.511 19.000 0.200 0.000 1.267 338 A HN 0.656 nan 8.150 nan 0.000 0.418 339 F N 0.160 120.240 119.950 0.216 0.000 2.693 339 F HA 0.735 5.476 4.527 0.356 0.000 0.309 339 F C -1.646 174.305 175.800 0.252 0.000 1.129 339 F CA -1.069 57.071 58.000 0.233 0.000 0.948 339 F CB 0.902 40.051 39.000 0.249 0.000 1.315 339 F HN 0.414 nan 8.300 nan 0.000 0.447 340 V N 1.811 121.860 119.914 0.226 0.000 2.667 340 V HA 0.825 5.160 4.120 0.357 0.000 0.308 340 V C -0.597 175.680 176.094 0.306 0.000 1.048 340 V CA -0.505 61.848 62.300 0.089 0.000 0.928 340 V CB 1.594 33.449 31.823 0.053 0.000 1.004 340 V HN 0.967 nan 8.190 nan 0.000 0.444 341 S N 2.504 118.355 115.700 0.253 0.000 2.543 341 S HA 0.504 5.188 4.470 0.357 0.000 0.273 341 S C -0.008 174.719 174.600 0.212 0.000 1.152 341 S CA -0.724 57.685 58.200 0.348 0.000 0.910 341 S CB 1.104 64.628 63.200 0.541 0.000 1.105 341 S HN 0.784 nan 8.310 nan 0.000 0.465 342 R N 2.253 122.849 120.500 0.160 0.000 3.484 342 R HA -0.250 4.305 4.340 0.357 0.000 0.260 342 R C 1.050 177.325 176.300 -0.041 0.000 1.053 342 R CA 1.407 57.491 56.100 -0.028 0.000 0.703 342 R CB -1.772 28.427 30.300 -0.169 0.000 1.089 342 R HN 1.766 nan 8.270 nan 0.000 0.459 343 G N -1.478 107.305 108.800 -0.028 0.000 2.179 343 G HA2 -0.353 3.821 3.960 0.357 0.000 0.260 343 G HA3 -0.353 3.821 3.960 0.357 0.000 0.260 343 G C -0.015 174.806 174.900 -0.131 0.000 0.977 343 G CA 0.703 45.750 45.100 -0.088 0.000 0.641 343 G HN 0.529 nan 8.290 nan 0.000 0.533 344 Q N -0.143 119.587 119.800 -0.116 0.000 2.248 344 Q HA 0.767 5.322 4.340 0.357 0.000 0.263 344 Q C 0.049 175.751 176.000 -0.497 0.000 1.007 344 Q CA -0.122 55.498 55.803 -0.306 0.000 0.877 344 Q CB 2.034 30.629 28.738 -0.239 0.000 1.315 344 Q HN 0.762 nan 8.270 nan 0.000 0.454 345 A N 1.274 123.571 122.820 -0.873 0.000 2.380 345 A HA 0.874 5.408 4.320 0.357 0.000 0.315 345 A C -1.445 175.333 177.584 -1.343 0.000 1.101 345 A CA -0.458 51.084 52.037 -0.825 0.000 0.771 345 A CB 0.836 19.554 19.000 -0.471 0.000 1.287 345 A HN 0.568 nan 8.150 nan 0.000 0.436 346 F N -0.084 119.579 119.950 -0.479 0.000 2.601 346 F HA 0.611 5.352 4.527 0.356 0.000 0.309 346 F C -0.701 175.017 175.800 -0.136 0.000 1.089 346 F CA -0.558 57.240 58.000 -0.338 0.000 0.940 346 F CB 1.989 40.716 39.000 -0.455 0.000 1.273 346 F HN 0.241 nan 8.300 nan 0.000 0.450 347 I N 2.488 123.141 120.570 0.138 0.000 2.382 347 I HA 0.416 4.801 4.170 0.357 0.000 0.285 347 I C -0.526 175.639 176.117 0.081 0.000 1.007 347 I CA -0.337 60.988 61.300 0.041 0.000 1.142 347 I CB 1.409 39.307 38.000 -0.169 0.000 1.289 347 I HN 0.685 nan 8.210 nan 0.000 0.453 348 Q N 5.040 124.918 119.800 0.130 0.000 2.615 348 Q HA 0.608 5.162 4.340 0.357 0.000 0.298 348 Q C -1.704 174.362 176.000 0.109 0.000 1.023 348 Q CA -1.090 54.800 55.803 0.146 0.000 0.768 348 Q CB 2.212 31.079 28.738 0.216 0.000 1.500 348 Q HN 0.492 nan 8.270 nan 0.000 0.441 349 D N 0.352 120.828 120.400 0.126 0.000 2.277 349 D HA 0.109 4.964 4.640 0.357 0.000 0.250 349 D C 1.435 177.785 176.300 0.083 0.000 1.032 349 D CA -0.171 53.892 54.000 0.106 0.000 0.947 349 D CB 1.709 42.600 40.800 0.152 0.000 1.159 349 D HN 0.603 nan 8.370 nan 0.000 0.460 350 V N -0.335 119.616 119.914 0.062 0.000 2.313 350 V HA -0.318 4.017 4.120 0.357 0.000 0.253 350 V C 2.372 178.469 176.094 0.005 0.000 1.070 350 V CA 2.498 64.815 62.300 0.029 0.000 1.057 350 V CB -1.429 30.412 31.823 0.031 0.000 0.653 350 V HN 0.674 nan 8.190 nan 0.000 0.450 351 S N 0.830 116.549 115.700 0.032 0.000 2.382 351 S HA 0.068 4.752 4.470 0.357 0.000 0.228 351 S C 1.833 176.421 174.600 -0.019 0.000 1.027 351 S CA 2.255 60.462 58.200 0.010 0.000 0.991 351 S CB -0.857 62.370 63.200 0.045 0.000 0.823 351 S HN 2.149 nan 8.310 nan 0.000 0.469 352 G N -0.365 108.439 108.800 0.006 0.000 2.141 352 G HA2 -0.276 3.898 3.960 0.357 0.000 0.242 352 G HA3 -0.276 3.898 3.960 0.357 0.000 0.242 352 G C 0.800 175.672 174.900 -0.047 0.000 0.982 352 G CA 1.299 46.389 45.100 -0.017 0.000 0.662 352 G HN 0.751 nan 8.290 nan 0.000 0.527 353 T N -1.362 113.148 114.554 -0.073 0.000 2.939 353 T HA 0.214 4.778 4.350 0.357 0.000 0.254 353 T C 0.858 175.332 174.700 -0.376 0.000 1.041 353 T CA 1.201 63.149 62.100 -0.254 0.000 1.142 353 T CB 0.024 68.671 68.868 -0.367 0.000 0.874 353 T HN 0.388 nan 8.240 nan 0.000 0.452 354 Y N 2.015 122.326 120.300 0.018 0.000 2.504 354 Y HA 0.596 5.360 4.550 0.357 0.000 0.339 354 Y C -0.500 175.425 175.900 0.042 0.000 0.974 354 Y CA -1.052 57.065 58.100 0.027 0.000 1.232 354 Y CB 1.094 39.567 38.460 0.021 0.000 1.108 354 Y HN -0.096 nan 8.280 nan 0.000 0.509 355 V N 5.256 125.257 119.914 0.144 0.000 2.604 355 V HA 0.526 4.860 4.120 0.357 0.000 0.305 355 V C -0.348 175.854 176.094 0.180 0.000 1.043 355 V CA -1.074 61.321 62.300 0.158 0.000 0.888 355 V CB 2.190 34.080 31.823 0.111 0.000 0.995 355 V HN 0.560 nan 8.190 nan 0.000 0.429 356 L N 3.698 125.045 121.223 0.206 0.000 2.385 356 L HA 0.596 5.151 4.340 0.357 0.000 0.273 356 L C -0.268 176.704 176.870 0.169 0.000 0.990 356 L CA -0.572 54.377 54.840 0.182 0.000 0.821 356 L CB 2.179 44.342 42.059 0.174 0.000 1.279 356 L HN 0.607 nan 8.230 nan 0.000 0.412 357 K N 2.082 122.520 120.400 0.063 0.000 2.143 357 K HA 0.496 5.030 4.320 0.357 0.000 0.272 357 K C -0.789 175.574 176.600 -0.395 0.000 1.001 357 K CA -0.617 55.509 56.287 -0.267 0.000 0.915 357 K CB 1.681 34.054 32.500 -0.210 0.000 1.047 357 K HN 0.339 nan 8.250 nan 0.000 0.458 358 V N 6.276 125.821 119.914 -0.614 0.000 2.572 358 V HA 0.111 4.446 4.120 0.357 0.000 0.291 358 V C -1.799 173.892 176.094 -0.672 0.000 1.039 358 V CA -1.238 60.579 62.300 -0.804 0.000 1.055 358 V CB 0.830 32.175 31.823 -0.798 0.000 0.969 358 V HN 0.810 nan 8.190 nan 0.000 0.482 359 P HA 0.281 nan 4.420 nan 0.000 0.244 359 P C -0.444 176.641 177.300 -0.359 0.000 1.769 359 P CA 0.077 62.944 63.100 -0.388 0.000 1.102 359 P CB 0.366 31.902 31.700 -0.273 0.000 1.937 360 E N 2.853 122.839 120.200 -0.358 0.000 2.343 360 E HA 0.344 4.909 4.350 0.357 0.000 0.278 360 E C -2.219 174.284 176.600 -0.162 0.000 0.910 360 E CA -1.791 54.435 56.400 -0.289 0.000 0.757 360 E CB 2.285 31.730 29.700 -0.425 0.000 1.218 360 E HN 0.268 nan 8.360 nan 0.000 0.435 361 P HA 0.068 nan 4.420 nan 0.000 0.273 361 P C 0.411 177.772 177.300 0.101 0.000 1.258 361 P CA -0.425 62.691 63.100 0.026 0.000 0.802 361 P CB 0.873 32.607 31.700 0.057 0.000 1.040 362 L N 0.246 121.487 121.223 0.030 0.000 2.499 362 L HA -0.022 4.532 4.340 0.357 0.000 0.281 362 L C 0.927 177.706 176.870 -0.152 0.000 1.234 362 L CA 0.336 55.145 54.840 -0.051 0.000 0.839 362 L CB -0.149 41.874 42.059 -0.060 0.000 1.104 362 L HN 0.488 nan 8.230 nan 0.000 0.500 363 R N 3.203 123.585 120.500 -0.196 0.000 2.779 363 R HA -0.093 4.462 4.340 0.357 0.000 0.301 363 R C -1.306 174.788 176.300 -0.344 0.000 0.963 363 R CA 0.430 56.368 56.100 -0.269 0.000 0.683 363 R CB -1.651 28.492 30.300 -0.262 0.000 1.794 363 R HN 0.500 nan 8.270 nan 0.000 0.458 364 I N 3.521 123.962 120.570 -0.216 0.000 2.307 364 I HA 0.192 4.576 4.170 0.357 0.000 0.289 364 I C 1.813 177.827 176.117 -0.171 0.000 1.021 364 I CA -0.418 60.798 61.300 -0.140 0.000 1.224 364 I CB 1.118 39.017 38.000 -0.167 0.000 1.376 364 I HN 0.268 nan 8.210 nan 0.000 0.470 365 R N 4.628 125.008 120.500 -0.199 0.000 2.066 365 R HA 0.088 4.642 4.340 0.357 0.000 0.224 365 R C -0.451 175.463 176.300 -0.643 0.000 1.122 365 R CA 1.096 56.897 56.100 -0.498 0.000 0.974 365 R CB 0.176 30.109 30.300 -0.611 0.000 0.871 365 R HN 0.450 nan 8.270 nan 0.000 0.435 366 Y N -0.951 119.385 120.300 0.060 0.000 2.524 366 Y HA 0.448 5.215 4.550 0.362 0.000 0.347 366 Y C -0.708 175.276 175.900 0.140 0.000 1.005 366 Y CA -1.250 56.897 58.100 0.079 0.000 1.025 366 Y CB 2.317 40.819 38.460 0.069 0.000 1.275 366 Y HN -0.358 nan 8.280 nan 0.000 0.460 367 V N 2.832 122.923 119.914 0.295 0.000 2.588 367 V HA 0.694 5.028 4.120 0.357 0.000 0.304 367 V C -0.805 175.417 176.094 0.214 0.000 1.042 367 V CA -0.791 61.660 62.300 0.253 0.000 0.877 367 V CB 1.808 33.737 31.823 0.177 0.000 0.996 367 V HN 0.643 nan 8.190 nan 0.000 0.425 368 R N 2.443 123.069 120.500 0.210 0.000 2.564 368 R HA 0.554 5.108 4.340 0.357 0.000 0.284 368 R C -0.586 175.804 176.300 0.149 0.000 1.031 368 R CA -0.943 55.249 56.100 0.153 0.000 0.904 368 R CB 1.362 31.733 30.300 0.119 0.000 1.199 368 R HN 0.815 nan 8.270 nan 0.000 0.443 369 R N 1.524 122.103 120.500 0.131 0.000 2.486 369 R HA 0.191 4.745 4.340 0.357 0.000 0.303 369 R C 0.145 176.493 176.300 0.079 0.000 0.958 369 R CA 1.284 57.458 56.100 0.123 0.000 1.077 369 R CB 0.102 30.467 30.300 0.109 0.000 0.921 369 R HN 0.730 nan 8.270 nan 0.000 0.406 370 G N 1.933 110.773 108.800 0.066 0.000 4.110 370 G HA2 0.501 4.676 3.960 0.357 0.000 0.292 370 G HA3 0.501 4.676 3.960 0.357 0.000 0.292 370 G C -0.079 174.817 174.900 -0.006 0.000 1.020 370 G CA 0.070 45.184 45.100 0.024 0.000 0.808 370 G HN 1.004 nan 8.290 nan 0.000 0.474 371 G N -0.230 108.567 108.800 -0.004 0.000 2.356 371 G HA2 0.229 4.403 3.960 0.357 0.000 0.300 371 G HA3 0.229 4.403 3.960 0.357 0.000 0.300 371 G C -0.195 174.686 174.900 -0.032 0.000 1.331 371 G CA -0.094 44.989 45.100 -0.029 0.000 0.905 371 G HN -0.131 nan 8.290 nan 0.000 0.587 372 D N -0.243 120.133 120.400 -0.041 0.000 2.126 372 D HA -0.105 4.749 4.640 0.357 0.000 0.190 372 D C 2.394 178.657 176.300 -0.062 0.000 1.001 372 D CA 2.752 56.738 54.000 -0.024 0.000 0.841 372 D CB -0.052 40.730 40.800 -0.030 0.000 0.949 372 D HN 0.792 nan 8.370 nan 0.000 0.446 373 T N -3.555 110.849 114.554 -0.251 0.000 3.170 373 T HA 0.273 4.838 4.350 0.357 0.000 0.288 373 T C 0.354 174.429 174.700 -1.041 0.000 0.992 373 T CA -0.584 61.086 62.100 -0.717 0.000 0.909 373 T CB 0.648 69.213 68.868 -0.506 0.000 1.133 373 T HN -0.133 nan 8.240 nan 0.000 0.530 374 K N 1.111 121.222 120.400 -0.482 0.000 2.221 374 K HA 0.724 5.258 4.320 0.357 0.000 0.258 374 K C -1.521 175.028 176.600 -0.086 0.000 0.944 374 K CA -0.869 55.229 56.287 -0.314 0.000 0.823 374 K CB 2.939 35.333 32.500 -0.177 0.000 1.113 374 K HN 0.091 nan 8.250 nan 0.000 0.431 375 V N 1.689 121.632 119.914 0.048 0.000 2.656 375 V HA 0.683 5.017 4.120 0.357 0.000 0.307 375 V C -1.192 175.053 176.094 0.252 0.000 1.051 375 V CA -0.540 61.885 62.300 0.209 0.000 0.893 375 V CB 1.679 33.715 31.823 0.356 0.000 0.999 375 V HN 0.920 nan 8.190 nan 0.000 0.426 376 A N 6.408 129.344 122.820 0.194 0.000 2.306 376 A HA 0.926 5.461 4.320 0.357 0.000 0.314 376 A C -0.757 176.971 177.584 0.241 0.000 1.164 376 A CA -0.408 51.706 52.037 0.128 0.000 0.822 376 A CB 0.611 19.653 19.000 0.069 0.000 1.130 376 A HN 1.329 nan 8.150 nan 0.000 0.496 377 F N 0.420 120.470 119.950 0.168 0.000 2.640 377 F HA 0.813 5.554 4.527 0.357 0.000 0.324 377 F C -0.904 175.016 175.800 0.201 0.000 1.077 377 F CA -1.652 56.450 58.000 0.169 0.000 0.965 377 F CB 1.196 40.272 39.000 0.128 0.000 1.351 377 F HN 0.232 nan 8.300 nan 0.000 0.487 378 I N 2.424 123.276 120.570 0.471 0.000 2.382 378 I HA 0.217 4.601 4.170 0.357 0.000 0.286 378 I C -0.772 175.586 176.117 0.401 0.000 1.002 378 I CA -0.283 61.242 61.300 0.375 0.000 1.135 378 I CB 0.907 39.129 38.000 0.370 0.000 1.288 378 I HN 0.771 nan 8.210 nan 0.000 0.448 379 H N 5.362 124.653 119.070 0.369 0.000 2.488 379 H HA 0.596 5.366 4.556 0.357 0.000 0.322 379 H C -0.487 175.005 175.328 0.274 0.000 1.078 379 H CA -0.294 55.938 56.048 0.306 0.000 1.260 379 H CB 1.914 31.903 29.762 0.377 0.000 1.425 379 H HN 0.745 nan 8.280 nan 0.000 0.471 380 G N 2.748 111.423 108.800 -0.208 0.000 2.416 380 G HA2 0.472 4.647 3.960 0.357 0.000 0.329 380 G HA3 0.472 4.647 3.960 0.357 0.000 0.329 380 G C -0.464 174.404 174.900 -0.054 0.000 1.173 380 G CA -0.345 44.725 45.100 -0.050 0.000 0.929 380 G HN 0.715 nan 8.290 nan 0.000 0.475 381 T N -1.423 113.243 114.554 0.186 0.000 2.804 381 T HA 0.387 4.952 4.350 0.357 0.000 0.290 381 T C 1.200 176.010 174.700 0.183 0.000 1.099 381 T CA -0.744 61.481 62.100 0.207 0.000 1.011 381 T CB 1.871 70.944 68.868 0.341 0.000 1.291 381 T HN 0.418 nan 8.240 nan 0.000 0.523 382 R N 0.141 120.742 120.500 0.169 0.000 2.159 382 R HA -0.091 4.463 4.340 0.357 0.000 0.237 382 R C 1.776 178.182 176.300 0.177 0.000 1.131 382 R CA 1.669 57.869 56.100 0.167 0.000 0.982 382 R CB -0.159 30.226 30.300 0.141 0.000 0.868 382 R HN 0.641 nan 8.270 nan 0.000 0.453 383 E N -0.687 119.641 120.200 0.214 0.000 2.112 383 E HA 0.090 4.654 4.350 0.357 0.000 0.190 383 E C 0.992 177.680 176.600 0.146 0.000 0.979 383 E CA 1.153 57.687 56.400 0.224 0.000 0.814 383 E CB 0.281 30.186 29.700 0.342 0.000 0.762 383 E HN 0.516 nan 8.360 nan 0.000 0.460 384 G N 0.240 109.108 108.800 0.113 0.000 2.351 384 G HA2 0.047 4.221 3.960 0.357 0.000 0.279 384 G HA3 0.047 4.221 3.960 0.357 0.000 0.279 384 G C -1.831 172.858 174.900 -0.352 0.000 1.297 384 G CA -0.752 44.249 45.100 -0.164 0.000 0.886 384 G HN -0.076 nan 8.290 nan 0.000 0.493 385 D N 0.204 120.289 120.400 -0.524 0.000 2.192 385 D HA 0.728 5.583 4.640 0.357 0.000 0.246 385 D C -0.896 175.014 176.300 -0.650 0.000 1.042 385 D CA 0.260 54.040 54.000 -0.367 0.000 0.847 385 D CB 1.463 42.191 40.800 -0.121 0.000 1.186 385 D HN 0.198 nan 8.370 nan 0.000 0.461 386 F N 0.726 120.770 119.950 0.155 0.000 2.576 386 F HA 0.300 5.042 4.527 0.358 0.000 0.313 386 F C 0.059 175.957 175.800 0.162 0.000 1.078 386 F CA -1.160 56.933 58.000 0.155 0.000 0.921 386 F CB 1.527 40.631 39.000 0.173 0.000 1.232 386 F HN -0.001 nan 8.300 nan 0.000 0.459 387 L N 2.216 123.620 121.223 0.302 0.000 2.371 387 L HA 0.777 5.331 4.340 0.357 0.000 0.272 387 L C -0.054 176.915 176.870 0.164 0.000 1.124 387 L CA 0.440 55.398 54.840 0.197 0.000 0.816 387 L CB 0.731 42.870 42.059 0.134 0.000 1.129 387 L HN 0.825 nan 8.230 nan 0.000 0.448 388 G N 4.897 113.488 108.800 -0.349 0.000 2.694 388 G HA2 0.706 4.880 3.960 0.357 0.000 0.290 388 G HA3 0.706 4.880 3.960 0.357 0.000 0.290 388 G C -1.567 172.646 174.900 -1.146 0.000 1.386 388 G CA -0.532 43.924 45.100 -1.073 0.000 0.872 388 G HN 0.544 nan 8.290 nan 0.000 0.475 389 I N -0.022 120.064 120.570 -0.805 0.000 2.692 389 I HA 0.403 4.787 4.170 0.357 0.000 0.293 389 I C -1.791 174.480 176.117 0.257 0.000 1.200 389 I CA -0.810 60.381 61.300 -0.182 0.000 1.036 389 I CB 2.759 40.701 38.000 -0.098 0.000 1.258 389 I HN 0.558 nan 8.210 nan 0.000 0.421 390 Y N 4.986 125.431 120.300 0.243 0.000 2.492 390 Y HA 0.495 5.259 4.550 0.356 0.000 0.346 390 Y C -1.547 174.393 175.900 0.065 0.000 0.997 390 Y CA -1.141 57.089 58.100 0.216 0.000 1.025 390 Y CB 1.830 40.467 38.460 0.296 0.000 1.263 390 Y HN 0.496 nan 8.280 nan 0.000 0.454 391 D N 4.726 124.688 120.400 -0.730 0.000 2.464 391 D HA 0.101 4.955 4.640 0.357 0.000 0.243 391 D C 0.044 175.681 176.300 -1.104 0.000 1.104 391 D CA -0.502 53.031 54.000 -0.779 0.000 0.883 391 D CB 0.105 40.666 40.800 -0.398 0.000 1.050 391 D HN 0.580 nan 8.370 nan 0.000 0.524 392 Y N 2.562 122.296 120.300 -0.943 0.000 2.716 392 Y HA 0.077 4.840 4.550 0.356 0.000 0.302 392 Y C 1.849 177.633 175.900 -0.193 0.000 1.160 392 Y CA 0.241 58.024 58.100 -0.528 0.000 1.362 392 Y CB -0.444 37.957 38.460 -0.099 0.000 0.988 392 Y HN 0.264 nan 8.280 nan 0.000 0.546 393 R N 0.929 121.317 120.500 -0.186 0.000 2.072 393 R HA -0.003 4.552 4.340 0.357 0.000 0.214 393 R C 2.307 178.576 176.300 -0.052 0.000 1.168 393 R CA 1.509 57.581 56.100 -0.048 0.000 1.020 393 R CB -0.539 29.697 30.300 -0.106 0.000 0.914 393 R HN 0.424 nan 8.270 nan 0.000 0.449 394 T N -3.256 111.233 114.554 -0.109 0.000 2.684 394 T HA 0.224 4.788 4.350 0.357 0.000 0.253 394 T C 1.559 176.244 174.700 -0.024 0.000 1.057 394 T CA 1.173 63.237 62.100 -0.060 0.000 1.162 394 T CB -0.107 68.718 68.868 -0.072 0.000 0.868 394 T HN 0.448 nan 8.240 nan 0.000 0.409 395 G N 1.472 110.245 108.800 -0.044 0.000 3.033 395 G HA2 -0.078 4.096 3.960 0.357 0.000 0.208 395 G HA3 -0.078 4.096 3.960 0.357 0.000 0.208 395 G C -0.001 174.971 174.900 0.120 0.000 1.006 395 G CA -0.120 45.031 45.100 0.085 0.000 0.808 395 G HN 0.925 nan 8.290 nan 0.000 0.499 396 K N 0.468 120.884 120.400 0.027 0.000 2.473 396 K HA 0.470 5.004 4.320 0.357 0.000 0.277 396 K C 0.174 176.838 176.600 0.105 0.000 1.052 396 K CA 0.791 57.097 56.287 0.033 0.000 1.114 396 K CB 0.974 33.462 32.500 -0.020 0.000 0.869 396 K HN 0.891 nan 8.250 nan 0.000 0.481 397 A N 3.982 126.878 122.820 0.127 0.000 3.297 397 A HA 0.095 4.630 4.320 0.357 0.000 0.304 397 A C -0.536 177.079 177.584 0.050 0.000 0.963 397 A CA -0.683 51.470 52.037 0.193 0.000 0.935 397 A CB 0.145 19.296 19.000 0.251 0.000 1.093 397 A HN 0.876 nan 8.150 nan 0.000 0.480 398 E N 1.642 121.804 120.200 -0.064 0.000 2.220 398 E HA 0.140 4.704 4.350 0.357 0.000 0.272 398 E C -0.189 176.205 176.600 -0.343 0.000 1.099 398 E CA 0.018 56.301 56.400 -0.195 0.000 0.907 398 E CB 0.356 29.906 29.700 -0.250 0.000 1.022 398 E HN 0.443 nan 8.360 nan 0.000 0.428 399 K N 4.428 124.675 120.400 -0.254 0.000 2.183 399 K HA 0.222 4.757 4.320 0.357 0.000 0.274 399 K C -0.684 175.737 176.600 -0.299 0.000 1.009 399 K CA -0.543 55.589 56.287 -0.259 0.000 0.888 399 K CB 0.653 33.104 32.500 -0.083 0.000 1.078 399 K HN 0.344 nan 8.250 nan 0.000 0.459 400 F N 1.663 121.582 119.950 -0.053 0.000 2.426 400 F HA 0.034 4.775 4.527 0.357 0.000 0.309 400 F C 1.868 177.650 175.800 -0.029 0.000 1.246 400 F CA 0.131 58.121 58.000 -0.017 0.000 1.229 400 F CB 0.651 39.663 39.000 0.020 0.000 1.255 400 F HN 0.639 nan 8.300 nan 0.000 0.558 401 E N -0.870 119.479 120.200 0.249 0.000 2.536 401 E HA 0.048 4.612 4.350 0.357 0.000 0.220 401 E C -0.230 176.551 176.600 0.302 0.000 0.876 401 E CA 0.099 56.550 56.400 0.086 0.000 1.190 401 E CB -0.185 29.518 29.700 0.005 0.000 1.191 401 E HN 0.449 nan 8.360 nan 0.000 0.557 402 E N 2.573 122.944 120.200 0.285 0.000 2.406 402 E HA 0.056 4.621 4.350 0.357 0.000 0.258 402 E C -0.370 176.407 176.600 0.295 0.000 1.043 402 E CA 0.081 56.609 56.400 0.214 0.000 0.929 402 E CB 0.230 29.965 29.700 0.060 0.000 0.969 402 E HN 0.243 nan 8.360 nan 0.000 0.462 403 N N 3.311 122.155 118.700 0.240 0.000 2.492 403 N HA 0.001 4.956 4.740 0.357 0.000 0.260 403 N C 0.614 176.046 175.510 -0.131 0.000 1.215 403 N CA -0.160 52.849 53.050 -0.068 0.000 0.923 403 N CB 0.523 38.992 38.487 -0.029 0.000 1.092 403 N HN 0.376 nan 8.380 nan 0.000 0.448 404 L N 2.425 123.498 121.223 -0.250 0.000 2.858 404 L HA 0.363 4.917 4.340 0.357 0.000 0.251 404 L C 1.210 178.011 176.870 -0.115 0.000 1.149 404 L CA -0.038 54.722 54.840 -0.134 0.000 0.955 404 L CB -0.351 41.654 42.059 -0.090 0.000 1.289 404 L HN 0.926 nan 8.230 nan 0.000 0.542 405 G N 1.292 109.991 108.800 -0.167 0.000 2.498 405 G HA2 -0.255 3.919 3.960 0.357 0.000 0.245 405 G HA3 -0.255 3.919 3.960 0.357 0.000 0.245 405 G C -0.350 174.510 174.900 -0.066 0.000 1.204 405 G CA -0.491 44.550 45.100 -0.099 0.000 0.933 405 G HN 0.240 nan 8.290 nan 0.000 0.574 406 N N 0.964 119.685 118.700 0.035 0.000 2.558 406 N HA 0.440 5.394 4.740 0.357 0.000 0.233 406 N C 0.153 175.818 175.510 0.258 0.000 1.038 406 N CA -0.133 52.996 53.050 0.132 0.000 0.934 406 N CB 1.501 40.141 38.487 0.255 0.000 1.175 406 N HN 0.575 nan 8.380 nan 0.000 0.512 407 V N 2.399 122.397 119.914 0.140 0.000 2.614 407 V HA 0.158 4.493 4.120 0.357 0.000 0.291 407 V C 0.627 176.865 176.094 0.240 0.000 1.049 407 V CA 0.282 62.712 62.300 0.217 0.000 1.038 407 V CB 0.227 32.155 31.823 0.175 0.000 0.980 407 V HN 0.523 nan 8.190 nan 0.000 0.481 408 F N 1.818 121.887 119.950 0.197 0.000 2.817 408 F HA 0.639 5.379 4.527 0.355 0.000 0.333 408 F C 0.723 176.494 175.800 -0.049 0.000 1.085 408 F CA 0.362 58.490 58.000 0.213 0.000 1.170 408 F CB 0.623 39.718 39.000 0.158 0.000 1.066 408 F HN 0.554 nan 8.300 nan 0.000 0.564 409 A N 1.184 124.006 122.820 0.004 0.000 2.517 409 A HA 0.757 5.292 4.320 0.357 0.000 0.297 409 A C -1.345 176.240 177.584 0.002 0.000 1.050 409 A CA -0.449 51.510 52.037 -0.130 0.000 0.694 409 A CB 1.899 20.940 19.000 0.068 0.000 1.277 409 A HN 0.000 nan 8.150 nan 0.000 0.400 410 M N 1.942 121.489 119.600 -0.089 0.000 2.421 410 M HA 0.676 5.371 4.480 0.357 0.000 0.287 410 M C -0.736 175.646 176.300 0.137 0.000 1.183 410 M CA 0.005 55.355 55.300 0.082 0.000 0.916 410 M CB 1.967 34.564 32.600 -0.007 0.000 1.701 410 M HN 1.456 nan 8.290 nan 0.000 0.470 411 G N 2.292 111.233 108.800 0.234 0.000 2.692 411 G HA2 0.703 4.877 3.960 0.357 0.000 0.291 411 G HA3 0.703 4.877 3.960 0.357 0.000 0.291 411 G C -2.233 172.725 174.900 0.097 0.000 1.423 411 G CA -0.464 44.754 45.100 0.197 0.000 0.843 411 G HN 0.590 nan 8.290 nan 0.000 0.486 412 V N 1.583 121.516 119.914 0.030 0.000 2.735 412 V HA 0.427 4.762 4.120 0.357 0.000 0.310 412 V C -0.384 175.613 176.094 -0.162 0.000 1.061 412 V CA -0.948 61.300 62.300 -0.086 0.000 0.913 412 V CB 1.858 33.653 31.823 -0.048 0.000 1.005 412 V HN 0.997 nan 8.190 nan 0.000 0.428 413 D N 3.589 123.745 120.400 -0.407 0.000 2.354 413 D HA -0.015 4.839 4.640 0.357 0.000 0.238 413 D C 0.858 177.049 176.300 -0.182 0.000 1.250 413 D CA -0.402 53.369 54.000 -0.382 0.000 0.911 413 D CB 1.077 41.429 40.800 -0.746 0.000 1.163 413 D HN 0.507 nan 8.370 nan 0.000 0.456 414 R N -0.277 120.164 120.500 -0.099 0.000 2.316 414 R HA -0.074 4.481 4.340 0.357 0.000 0.202 414 R C 0.589 176.865 176.300 -0.040 0.000 1.029 414 R CA 0.374 56.450 56.100 -0.040 0.000 1.018 414 R CB -0.101 30.198 30.300 -0.002 0.000 0.888 414 R HN 0.389 nan 8.270 nan 0.000 0.471 415 N N -0.518 118.143 118.700 -0.065 0.000 2.328 415 N HA 0.103 5.058 4.740 0.357 0.000 0.247 415 N C -0.198 175.287 175.510 -0.042 0.000 1.165 415 N CA 0.541 53.571 53.050 -0.034 0.000 0.873 415 N CB 0.926 39.409 38.487 -0.007 0.000 1.125 415 N HN 0.248 nan 8.380 nan 0.000 0.513 416 G N 1.030 109.787 108.800 -0.073 0.000 2.439 416 G HA2 -0.382 3.792 3.960 0.357 0.000 0.305 416 G HA3 -0.382 3.792 3.960 0.357 0.000 0.305 416 G C 1.019 175.903 174.900 -0.026 0.000 0.966 416 G CA 1.381 46.446 45.100 -0.058 0.000 0.890 416 G HN 0.477 nan 8.290 nan 0.000 0.513 417 K N -1.172 119.213 120.400 -0.024 0.000 2.078 417 K HA 0.359 4.893 4.320 0.357 0.000 0.203 417 K C 1.033 177.742 176.600 0.182 0.000 1.043 417 K CA 1.243 57.594 56.287 0.107 0.000 0.960 417 K CB 0.137 32.774 32.500 0.229 0.000 0.761 417 K HN 0.645 nan 8.250 nan 0.000 0.448 418 F N -1.371 118.580 119.950 0.001 0.000 2.764 418 F HA 0.815 5.553 4.527 0.351 0.000 0.347 418 F C -1.216 174.584 175.800 0.000 0.000 1.151 418 F CA -1.895 56.099 58.000 -0.010 0.000 1.021 418 F CB 0.911 39.898 39.000 -0.022 0.000 1.438 418 F HN -0.177 nan 8.300 nan 0.000 0.516 419 A N 0.404 123.309 122.820 0.142 0.000 2.515 419 A HA 0.793 5.327 4.320 0.357 0.000 0.296 419 A C -1.911 175.744 177.584 0.119 0.000 1.094 419 A CA -0.859 51.196 52.037 0.030 0.000 0.718 419 A CB 1.649 20.664 19.000 0.026 0.000 1.307 419 A HN 0.794 nan 8.150 nan 0.000 0.408 420 V N 0.957 120.887 119.914 0.026 0.000 2.513 420 V HA 0.658 4.993 4.120 0.357 0.000 0.299 420 V C -0.550 175.447 176.094 -0.161 0.000 1.035 420 V CA -0.372 61.835 62.300 -0.155 0.000 0.889 420 V CB 1.562 33.123 31.823 -0.436 0.000 0.988 420 V HN 0.748 nan 8.190 nan 0.000 0.440 421 V N 2.744 122.536 119.914 -0.204 0.000 2.925 421 V HA 0.890 5.225 4.120 0.357 0.000 0.311 421 V C -0.172 175.889 176.094 -0.054 0.000 1.104 421 V CA -0.701 61.570 62.300 -0.048 0.000 0.954 421 V CB 2.045 33.862 31.823 -0.010 0.000 1.022 421 V HN 1.000 nan 8.190 nan 0.000 0.427 422 A N 3.611 126.498 122.820 0.112 0.000 2.330 422 A HA 0.806 5.341 4.320 0.357 0.000 0.313 422 A C -0.340 177.358 177.584 0.189 0.000 1.124 422 A CA -0.710 51.418 52.037 0.152 0.000 0.774 422 A CB 0.791 19.968 19.000 0.296 0.000 1.198 422 A HN 1.023 nan 8.150 nan 0.000 0.465 423 N N 0.808 119.600 118.700 0.153 0.000 2.592 423 N HA 0.403 5.358 4.740 0.357 0.000 0.292 423 N C -0.510 175.108 175.510 0.181 0.000 1.260 423 N CA -0.532 52.626 53.050 0.180 0.000 0.910 423 N CB 1.093 39.629 38.487 0.082 0.000 1.257 423 N HN 0.457 nan 8.380 nan 0.000 0.569 424 D N -0.644 119.839 120.400 0.137 0.000 2.324 424 D HA -0.014 4.841 4.640 0.357 0.000 0.235 424 D C 0.721 176.905 176.300 -0.193 0.000 1.095 424 D CA 0.133 54.145 54.000 0.019 0.000 0.871 424 D CB -0.164 40.620 40.800 -0.027 0.000 0.906 424 D HN 0.460 nan 8.370 nan 0.000 0.522 425 R N -0.557 119.862 120.500 -0.136 0.000 2.334 425 R HA 0.256 4.811 4.340 0.357 0.000 0.216 425 R C 0.141 176.331 176.300 -0.183 0.000 0.905 425 R CA -0.182 55.746 56.100 -0.286 0.000 1.064 425 R CB -0.114 30.104 30.300 -0.137 0.000 1.046 425 R HN 0.096 nan 8.270 nan 0.000 0.508 426 F N 0.454 120.377 119.950 -0.044 0.000 2.937 426 F HA -0.253 4.490 4.527 0.361 0.000 0.290 426 F C -0.394 175.391 175.800 -0.024 0.000 0.802 426 F CA -0.040 57.933 58.000 -0.045 0.000 1.336 426 F CB -1.572 37.391 39.000 -0.062 0.000 1.438 426 F HN 0.185 nan 8.300 nan 0.000 0.469 427 E N 1.236 121.520 120.200 0.140 0.000 2.212 427 E HA 0.727 5.292 4.350 0.357 0.000 0.270 427 E C -0.366 176.223 176.600 -0.018 0.000 0.956 427 E CA -0.969 55.457 56.400 0.044 0.000 0.825 427 E CB 3.203 32.901 29.700 -0.004 0.000 1.167 427 E HN 0.322 nan 8.360 nan 0.000 0.400 428 I N 3.358 123.857 120.570 -0.119 0.000 2.509 428 I HA 0.450 4.834 4.170 0.357 0.000 0.293 428 I C -1.003 174.947 176.117 -0.279 0.000 1.020 428 I CA -0.617 60.531 61.300 -0.253 0.000 1.088 428 I CB 0.779 38.504 38.000 -0.459 0.000 1.267 428 I HN 0.636 nan 8.210 nan 0.000 0.430 429 M N 4.962 124.402 119.600 -0.266 0.000 2.622 429 M HA 0.570 5.265 4.480 0.357 0.000 0.276 429 M C -1.469 174.718 176.300 -0.187 0.000 1.265 429 M CA -0.589 54.578 55.300 -0.223 0.000 0.850 429 M CB 2.129 34.637 32.600 -0.153 0.000 1.720 429 M HN 0.473 nan 8.290 nan 0.000 0.465 430 T N 0.030 114.495 114.554 -0.149 0.000 2.779 430 T HA 0.700 5.264 4.350 0.357 0.000 0.280 430 T C -0.572 174.096 174.700 -0.053 0.000 0.987 430 T CA -0.701 61.365 62.100 -0.056 0.000 0.966 430 T CB 1.365 70.162 68.868 -0.117 0.000 0.933 430 T HN 0.535 nan 8.240 nan 0.000 0.442 431 V N 3.216 123.128 119.914 -0.004 0.000 2.398 431 V HA 0.309 4.643 4.120 0.357 0.000 0.286 431 V C 0.381 176.457 176.094 -0.029 0.000 1.026 431 V CA -0.942 61.313 62.300 -0.073 0.000 0.868 431 V CB 1.490 33.240 31.823 -0.122 0.000 0.982 431 V HN 0.990 nan 8.190 nan 0.000 0.443 432 D N 4.284 124.635 120.400 -0.082 0.000 2.349 432 D HA 0.067 4.921 4.640 0.357 0.000 0.266 432 D C 1.043 177.314 176.300 -0.048 0.000 1.293 432 D CA 0.007 53.992 54.000 -0.026 0.000 0.926 432 D CB 1.053 41.822 40.800 -0.052 0.000 1.090 432 D HN 0.528 nan 8.370 nan 0.000 0.502 433 L N 3.180 124.438 121.223 0.059 0.000 2.642 433 L HA -0.107 4.448 4.340 0.357 0.000 0.236 433 L C 1.990 178.995 176.870 0.225 0.000 1.169 433 L CA 0.633 55.550 54.840 0.129 0.000 0.851 433 L CB -0.146 41.978 42.059 0.109 0.000 0.968 433 L HN 0.506 nan 8.230 nan 0.000 0.453 434 E N -0.515 119.778 120.200 0.156 0.000 2.192 434 E HA -0.108 4.457 4.350 0.357 0.000 0.196 434 E C 2.144 178.872 176.600 0.214 0.000 0.922 434 E CA 0.995 57.494 56.400 0.166 0.000 0.924 434 E CB 0.225 29.979 29.700 0.090 0.000 0.911 434 E HN 0.377 nan 8.360 nan 0.000 0.478 435 T N -2.907 111.709 114.554 0.104 0.000 2.770 435 T HA 0.180 4.744 4.350 0.357 0.000 0.258 435 T C 1.578 176.287 174.700 0.016 0.000 1.039 435 T CA 1.183 63.333 62.100 0.084 0.000 1.143 435 T CB 0.224 69.098 68.868 0.010 0.000 0.866 435 T HN 0.377 nan 8.240 nan 0.000 0.428 436 G N 0.936 109.533 108.800 -0.339 0.000 2.205 436 G HA2 -0.163 4.011 3.960 0.357 0.000 0.180 436 G HA3 -0.163 4.011 3.960 0.357 0.000 0.180 436 G C -0.004 174.623 174.900 -0.455 0.000 1.004 436 G CA 0.024 44.563 45.100 -0.935 0.000 0.670 436 G HN 0.783 nan 8.290 nan 0.000 0.496 437 K N 2.331 122.590 120.400 -0.235 0.000 2.336 437 K HA 0.349 4.884 4.320 0.357 0.000 0.290 437 K C -2.082 174.431 176.600 -0.144 0.000 1.067 437 K CA -1.308 54.891 56.287 -0.146 0.000 0.962 437 K CB 0.807 33.253 32.500 -0.089 0.000 1.008 437 K HN 0.180 nan 8.250 nan 0.000 0.467 438 P HA 0.127 nan 4.420 nan 0.000 0.279 438 P C -1.116 176.123 177.300 -0.103 0.000 1.239 438 P CA -0.384 62.645 63.100 -0.117 0.000 0.789 438 P CB 1.341 32.979 31.700 -0.104 0.000 0.933 439 T N 1.876 116.362 114.554 -0.114 0.000 2.890 439 T HA 0.226 4.790 4.350 0.357 0.000 0.295 439 T C -0.051 174.556 174.700 -0.154 0.000 0.993 439 T CA -0.422 61.606 62.100 -0.120 0.000 0.979 439 T CB 0.802 69.599 68.868 -0.118 0.000 0.967 439 T HN 0.080 nan 8.240 nan 0.000 0.441 440 V N 5.359 125.188 119.914 -0.141 0.000 2.529 440 V HA 0.165 4.499 4.120 0.357 0.000 0.292 440 V C 1.241 177.201 176.094 -0.222 0.000 1.028 440 V CA 0.311 62.515 62.300 -0.160 0.000 1.074 440 V CB 0.236 31.992 31.823 -0.111 0.000 0.958 440 V HN 0.854 nan 8.190 nan 0.000 0.481 441 I N 2.351 122.739 120.570 -0.304 0.000 2.512 441 I HA 0.246 4.631 4.170 0.357 0.000 0.247 441 I C 0.957 176.905 176.117 -0.282 0.000 1.094 441 I CA 0.709 61.742 61.300 -0.445 0.000 1.427 441 I CB 0.336 37.930 38.000 -0.676 0.000 1.149 441 I HN 0.678 nan 8.210 nan 0.000 0.438 442 E N 0.519 120.600 120.200 -0.199 0.000 2.375 442 E HA 0.391 4.955 4.350 0.357 0.000 0.280 442 E C -1.081 175.551 176.600 0.053 0.000 0.972 442 E CA -0.731 55.639 56.400 -0.050 0.000 0.782 442 E CB 2.381 32.093 29.700 0.020 0.000 1.229 442 E HN -0.028 nan 8.360 nan 0.000 0.439 443 R N 2.267 122.858 120.500 0.153 0.000 2.476 443 R HA 0.366 4.921 4.340 0.357 0.000 0.305 443 R C -1.074 175.426 176.300 0.333 0.000 0.965 443 R CA -0.365 55.851 56.100 0.194 0.000 0.867 443 R CB 1.823 32.184 30.300 0.101 0.000 1.176 443 R HN 0.443 nan 8.270 nan 0.000 0.447 444 S N 2.259 118.120 115.700 0.269 0.000 2.617 444 S HA 0.211 4.896 4.470 0.357 0.000 0.269 444 S C 0.753 175.428 174.600 0.125 0.000 1.292 444 S CA -0.654 57.539 58.200 -0.011 0.000 1.010 444 S CB 0.760 63.684 63.200 -0.459 0.000 0.944 444 S HN 0.806 nan 8.310 nan 0.000 0.536 445 R N 1.262 121.790 120.500 0.048 0.000 2.543 445 R HA 0.383 4.937 4.340 0.357 0.000 0.323 445 R C 0.017 176.405 176.300 0.147 0.000 1.002 445 R CA -0.333 55.877 56.100 0.183 0.000 1.106 445 R CB 0.123 30.484 30.300 0.102 0.000 1.280 445 R HN 0.463 nan 8.270 nan 0.000 0.549 446 E N 0.905 121.029 120.200 -0.127 0.000 2.288 446 E HA 0.329 4.893 4.350 0.357 0.000 0.200 446 E C 0.395 176.602 176.600 -0.656 0.000 0.880 446 E CA 0.759 57.017 56.400 -0.236 0.000 0.971 446 E CB 1.014 30.570 29.700 -0.239 0.000 0.954 446 E HN 0.332 nan 8.360 nan 0.000 0.489 447 A N 0.412 122.534 122.820 -1.163 0.000 2.568 447 A HA 0.650 5.184 4.320 0.357 0.000 0.291 447 A C -0.820 175.962 177.584 -1.338 0.000 1.159 447 A CA -0.713 50.460 52.037 -1.440 0.000 0.679 447 A CB 0.692 19.331 19.000 -0.602 0.000 1.285 447 A HN 0.008 nan 8.150 nan 0.000 0.428 448 M N 0.530 119.699 119.600 -0.718 0.000 2.240 448 M HA 0.283 4.977 4.480 0.357 0.000 0.333 448 M C -0.450 175.789 176.300 -0.103 0.000 1.110 448 M CA 0.605 55.790 55.300 -0.190 0.000 1.173 448 M CB 0.205 32.787 32.600 -0.029 0.000 1.458 448 M HN 0.463 nan 8.290 nan 0.000 0.458 449 I N 2.301 122.891 120.570 0.034 0.000 2.325 449 I HA 0.059 4.444 4.170 0.357 0.000 0.285 449 I C 1.195 177.470 176.117 0.265 0.000 1.128 449 I CA -0.151 61.223 61.300 0.124 0.000 1.261 449 I CB -0.193 37.881 38.000 0.122 0.000 1.529 449 I HN 0.820 nan 8.210 nan 0.000 0.557 450 T N -1.923 112.736 114.554 0.174 0.000 3.057 450 T HA 0.014 4.578 4.350 0.357 0.000 0.254 450 T C 0.679 175.328 174.700 -0.086 0.000 1.094 450 T CA 0.044 62.217 62.100 0.121 0.000 1.088 450 T CB 0.033 68.933 68.868 0.053 0.000 0.934 450 T HN 0.261 nan 8.240 nan 0.000 0.497 451 D N 1.540 121.970 120.400 0.049 0.000 2.428 451 D HA 0.442 5.296 4.640 0.357 0.000 0.221 451 D C -0.795 175.616 176.300 0.185 0.000 1.123 451 D CA -0.999 53.002 54.000 0.002 0.000 0.869 451 D CB -0.150 40.707 40.800 0.095 0.000 1.032 451 D HN 0.501 nan 8.370 nan 0.000 0.506 452 F N 0.077 120.128 119.950 0.167 0.000 2.645 452 F HA 0.687 5.422 4.527 0.347 0.000 0.310 452 F C -0.664 175.258 175.800 0.204 0.000 1.102 452 F CA -1.037 57.101 58.000 0.230 0.000 0.952 452 F CB 1.811 40.958 39.000 0.246 0.000 1.326 452 F HN 0.009 nan 8.300 nan 0.000 0.456 453 T N 1.606 116.496 114.554 0.560 0.000 2.900 453 T HA 0.728 5.292 4.350 0.357 0.000 0.303 453 T C -1.528 173.512 174.700 0.566 0.000 1.142 453 T CA -0.626 61.755 62.100 0.468 0.000 1.007 453 T CB 1.503 70.573 68.868 0.336 0.000 1.156 453 T HN 0.678 nan 8.240 nan 0.000 0.490 454 I N 3.188 124.026 120.570 0.447 0.000 2.474 454 I HA 0.398 4.782 4.170 0.357 0.000 0.294 454 I C 0.740 176.992 176.117 0.225 0.000 1.005 454 I CA -1.007 60.495 61.300 0.337 0.000 1.113 454 I CB 2.194 40.316 38.000 0.204 0.000 1.289 454 I HN 0.745 nan 8.210 nan 0.000 0.436 455 S N 2.310 117.933 115.700 -0.129 0.000 2.572 455 S HA 0.060 4.745 4.470 0.357 0.000 0.279 455 S C 0.523 175.096 174.600 -0.044 0.000 1.341 455 S CA -0.506 57.478 58.200 -0.360 0.000 1.043 455 S CB 1.032 63.794 63.200 -0.728 0.000 0.887 455 S HN 0.582 nan 8.310 nan 0.000 0.516 456 D N 1.630 122.052 120.400 0.036 0.000 2.221 456 D HA -0.116 4.739 4.640 0.357 0.000 0.204 456 D C 1.323 177.642 176.300 0.030 0.000 0.982 456 D CA 1.563 55.595 54.000 0.054 0.000 0.857 456 D CB -0.437 40.413 40.800 0.083 0.000 0.934 456 D HN 0.869 nan 8.370 nan 0.000 0.475 457 N N -1.027 117.684 118.700 0.019 0.000 2.322 457 N HA 0.021 4.976 4.740 0.357 0.000 0.194 457 N C -0.098 175.405 175.510 -0.010 0.000 1.126 457 N CA 0.106 53.165 53.050 0.015 0.000 0.845 457 N CB 0.348 38.859 38.487 0.041 0.000 0.976 457 N HN -0.262 nan 8.380 nan 0.000 0.475 458 S N -1.224 114.477 115.700 0.001 0.000 3.476 458 S HA -0.260 4.425 4.470 0.357 0.000 0.309 458 S C 1.018 175.628 174.600 0.016 0.000 1.222 458 S CA 1.146 59.403 58.200 0.094 0.000 0.922 458 S CB -1.381 61.921 63.200 0.171 0.000 1.023 458 S HN 0.774 nan 8.310 nan 0.000 0.591 459 R N -0.550 119.809 120.500 -0.236 0.000 2.175 459 R HA 0.308 4.862 4.340 0.357 0.000 0.202 459 R C -0.089 175.748 176.300 -0.772 0.000 1.018 459 R CA 0.696 56.441 56.100 -0.593 0.000 1.029 459 R CB 0.352 30.083 30.300 -0.948 0.000 0.959 459 R HN 0.361 nan 8.270 nan 0.000 0.480 460 F N 0.267 120.062 119.950 -0.259 0.000 2.538 460 F HA 0.510 5.262 4.527 0.375 0.000 0.325 460 F C -0.217 175.581 175.800 -0.003 0.000 1.066 460 F CA -1.090 56.784 58.000 -0.210 0.000 0.946 460 F CB 1.762 40.545 39.000 -0.360 0.000 1.199 460 F HN -0.231 nan 8.300 nan 0.000 0.473 461 I N 2.168 123.009 120.570 0.453 0.000 2.476 461 I HA 0.495 4.879 4.170 0.357 0.000 0.281 461 I C -0.725 175.796 176.117 0.675 0.000 1.040 461 I CA -0.646 60.991 61.300 0.562 0.000 1.094 461 I CB 1.477 39.792 38.000 0.525 0.000 1.219 461 I HN 0.693 nan 8.210 nan 0.000 0.450 462 A N 6.880 130.116 122.820 0.693 0.000 2.301 462 A HA 0.859 5.393 4.320 0.357 0.000 0.312 462 A C -1.119 176.729 177.584 0.439 0.000 1.182 462 A CA -0.221 52.052 52.037 0.392 0.000 0.826 462 A CB 0.584 19.665 19.000 0.135 0.000 1.134 462 A HN 0.703 nan 8.150 nan 0.000 0.501 463 Y N -0.794 119.653 120.300 0.246 0.000 2.609 463 Y HA 0.694 5.466 4.550 0.370 0.000 0.336 463 Y C 0.147 176.133 175.900 0.143 0.000 1.129 463 Y CA -1.003 57.246 58.100 0.248 0.000 1.040 463 Y CB 0.711 39.357 38.460 0.311 0.000 1.310 463 Y HN 0.817 nan 8.280 nan 0.000 0.460 464 G N 1.445 110.409 108.800 0.273 0.000 2.355 464 G HA2 0.396 4.570 3.960 0.357 0.000 0.276 464 G HA3 0.396 4.570 3.960 0.357 0.000 0.276 464 G C -1.898 173.109 174.900 0.178 0.000 1.198 464 G CA -0.388 44.772 45.100 0.100 0.000 0.876 464 G HN 0.693 nan 8.290 nan 0.000 0.478 465 F N 6.240 126.088 119.950 -0.170 0.000 2.325 465 F HA 0.449 5.185 4.527 0.348 0.000 0.369 465 F C -1.967 173.728 175.800 -0.175 0.000 1.095 465 F CA -2.964 54.932 58.000 -0.172 0.000 1.082 465 F CB 2.104 40.779 39.000 -0.543 0.000 1.289 465 F HN 0.257 nan 8.300 nan 0.000 0.462 466 P HA 0.181 nan 4.420 nan 0.000 0.271 466 P C -1.285 175.648 177.300 -0.611 0.000 1.220 466 P CA 0.126 62.944 63.100 -0.470 0.000 0.768 466 P CB 1.397 32.868 31.700 -0.382 0.000 0.848 467 L N 0.781 121.831 121.223 -0.289 0.000 2.397 467 L HA 0.825 5.379 4.340 0.357 0.000 0.251 467 L C -0.695 176.145 176.870 -0.050 0.000 1.064 467 L CA -0.931 53.813 54.840 -0.159 0.000 0.859 467 L CB 1.948 44.020 42.059 0.021 0.000 1.468 467 L HN 0.121 nan 8.230 nan 0.000 0.411 468 K N -0.979 119.414 120.400 -0.011 0.000 2.532 468 K HA 0.398 4.933 4.320 0.357 0.000 0.265 468 K C -1.354 175.273 176.600 0.046 0.000 0.948 468 K CA -0.775 55.532 56.287 0.034 0.000 0.842 468 K CB 1.594 34.104 32.500 0.017 0.000 1.392 468 K HN 0.727 nan 8.250 nan 0.000 0.436 469 H N 0.705 119.793 119.070 0.030 0.000 2.476 469 H HA 0.362 5.131 4.556 0.355 0.000 0.256 469 H C -0.879 174.464 175.328 0.025 0.000 1.321 469 H CA 0.154 56.219 56.048 0.029 0.000 1.056 469 H CB 0.583 30.361 29.762 0.027 0.000 1.643 469 H HN 0.838 nan 8.280 nan 0.000 0.541 470 G N 0.763 109.618 108.800 0.092 0.000 2.282 470 G HA2 -0.106 4.068 3.960 0.357 0.000 0.274 470 G HA3 -0.106 4.068 3.960 0.357 0.000 0.274 470 G C 0.110 175.031 174.900 0.035 0.000 1.718 470 G CA -0.690 44.453 45.100 0.073 0.000 0.927 470 G HN 0.189 nan 8.290 nan 0.000 0.733 471 E N 0.374 120.585 120.200 0.017 0.000 2.520 471 E HA 0.001 4.565 4.350 0.357 0.000 0.201 471 E C 1.418 178.014 176.600 -0.006 0.000 1.122 471 E CA 1.343 57.743 56.400 0.001 0.000 0.896 471 E CB 0.094 29.788 29.700 -0.010 0.000 0.891 471 E HN 0.701 nan 8.360 nan 0.000 0.533 472 T N -3.065 111.492 114.554 0.005 0.000 3.502 472 T HA 0.071 4.635 4.350 0.357 0.000 0.310 472 T C 0.035 174.741 174.700 0.011 0.000 0.902 472 T CA -0.657 61.441 62.100 -0.004 0.000 0.964 472 T CB 0.340 69.201 68.868 -0.011 0.000 1.200 472 T HN -0.161 nan 8.240 nan 0.000 0.599 473 D N 1.913 122.331 120.400 0.029 0.000 2.449 473 D HA 0.233 5.088 4.640 0.357 0.000 0.236 473 D C 1.494 177.804 176.300 0.016 0.000 1.149 473 D CA 0.584 54.616 54.000 0.052 0.000 0.878 473 D CB 1.087 41.938 40.800 0.084 0.000 1.198 473 D HN 0.362 nan 8.370 nan 0.000 0.446 474 G N 0.820 109.635 108.800 0.025 0.000 2.511 474 G HA2 -0.078 4.096 3.960 0.357 0.000 0.217 474 G HA3 -0.078 4.096 3.960 0.357 0.000 0.217 474 G C -0.001 174.662 174.900 -0.395 0.000 1.133 474 G CA 0.604 45.614 45.100 -0.151 0.000 0.792 474 G HN 0.368 nan 8.290 nan 0.000 0.539 475 Y N -1.683 118.620 120.300 0.005 0.000 2.598 475 Y HA 0.610 5.374 4.550 0.356 0.000 0.340 475 Y C -0.418 175.477 175.900 -0.008 0.000 1.038 475 Y CA -1.168 56.928 58.100 -0.006 0.000 1.100 475 Y CB 2.309 40.769 38.460 -0.000 0.000 1.281 475 Y HN -0.194 nan 8.280 nan 0.000 0.488 476 V N 3.885 123.877 119.914 0.131 0.000 2.409 476 V HA 0.339 4.674 4.120 0.357 0.000 0.291 476 V C -0.240 175.907 176.094 0.089 0.000 1.020 476 V CA -0.880 61.454 62.300 0.056 0.000 0.848 476 V CB 1.076 32.885 31.823 -0.023 0.000 0.990 476 V HN 0.657 nan 8.190 nan 0.000 0.430 477 M N 3.468 123.108 119.600 0.066 0.000 2.267 477 M HA 0.515 5.209 4.480 0.357 0.000 0.303 477 M C -0.240 176.069 176.300 0.015 0.000 1.164 477 M CA -0.124 55.219 55.300 0.071 0.000 1.060 477 M CB 0.700 33.335 32.600 0.059 0.000 1.455 477 M HN 0.746 nan 8.290 nan 0.000 0.483 478 Q N 0.406 120.199 119.800 -0.011 0.000 2.263 478 Q HA 0.670 5.224 4.340 0.357 0.000 0.266 478 Q C -2.065 173.859 176.000 -0.127 0.000 1.002 478 Q CA -0.423 55.309 55.803 -0.119 0.000 0.790 478 Q CB 2.060 30.642 28.738 -0.260 0.000 1.272 478 Q HN 0.855 nan 8.270 nan 0.000 0.435 479 A N 4.857 127.603 122.820 -0.124 0.000 2.342 479 A HA 0.623 5.157 4.320 0.357 0.000 0.323 479 A C -0.532 176.908 177.584 -0.241 0.000 1.125 479 A CA -0.703 51.243 52.037 -0.152 0.000 0.785 479 A CB 0.817 19.770 19.000 -0.078 0.000 1.221 479 A HN 0.725 nan 8.150 nan 0.000 0.463 480 I N 2.785 123.203 120.570 -0.253 0.000 2.588 480 I HA 0.178 4.562 4.170 0.357 0.000 0.283 480 I C -0.091 175.924 176.117 -0.170 0.000 1.119 480 I CA 0.278 61.412 61.300 -0.277 0.000 1.419 480 I CB 0.035 37.795 38.000 -0.400 0.000 1.394 480 I HN 0.547 nan 8.210 nan 0.000 0.562 481 H N 4.377 123.143 119.070 -0.507 0.000 2.569 481 H HA 0.601 5.367 4.556 0.350 0.000 0.357 481 H C -0.678 174.329 175.328 -0.535 0.000 1.153 481 H CA -0.763 54.930 56.048 -0.591 0.000 1.193 481 H CB 2.147 31.393 29.762 -0.860 0.000 1.602 481 H HN 0.196 nan 8.280 nan 0.000 0.523 482 V N 3.681 123.573 119.914 -0.037 0.000 2.540 482 V HA 0.162 4.496 4.120 0.357 0.000 0.302 482 V C -0.984 175.338 176.094 0.380 0.000 1.035 482 V CA -0.905 61.500 62.300 0.176 0.000 0.873 482 V CB 1.520 33.439 31.823 0.161 0.000 0.992 482 V HN 0.630 nan 8.190 nan 0.000 0.428 483 Y N 3.569 124.082 120.300 0.354 0.000 2.352 483 Y HA 0.531 5.292 4.550 0.351 0.000 0.339 483 Y C -0.246 175.826 175.900 0.287 0.000 0.992 483 Y CA -1.120 57.171 58.100 0.318 0.000 1.100 483 Y CB 1.488 40.130 38.460 0.303 0.000 1.192 483 Y HN 0.702 nan 8.280 nan 0.000 0.458 484 D N 6.649 126.811 120.400 -0.397 0.000 2.280 484 D HA 0.123 4.977 4.640 0.357 0.000 0.236 484 D C 0.801 176.572 176.300 -0.880 0.000 1.082 484 D CA -0.239 53.501 54.000 -0.434 0.000 0.834 484 D CB 1.250 42.019 40.800 -0.052 0.000 1.100 484 D HN 0.706 nan 8.370 nan 0.000 0.486 485 M N 1.928 121.104 119.600 -0.707 0.000 2.279 485 M HA -0.079 4.615 4.480 0.357 0.000 0.264 485 M C 0.279 176.362 176.300 -0.361 0.000 1.062 485 M CA 1.185 56.162 55.300 -0.539 0.000 1.099 485 M CB -0.415 31.942 32.600 -0.405 0.000 1.394 485 M HN 0.359 nan 8.290 nan 0.000 0.426 486 E N -0.203 119.801 120.200 -0.326 0.000 2.146 486 E HA 0.436 5.000 4.350 0.357 0.000 0.282 486 E C 0.901 177.420 176.600 -0.134 0.000 0.989 486 E CA 0.148 56.432 56.400 -0.193 0.000 0.799 486 E CB 0.880 30.482 29.700 -0.164 0.000 1.088 486 E HN 0.437 nan 8.360 nan 0.000 0.397 487 G N 3.886 112.636 108.800 -0.083 0.000 2.241 487 G HA2 -0.405 3.769 3.960 0.357 0.000 0.244 487 G HA3 -0.405 3.769 3.960 0.357 0.000 0.244 487 G C 0.306 175.184 174.900 -0.035 0.000 0.998 487 G CA -0.055 45.025 45.100 -0.032 0.000 0.621 487 G HN 0.617 nan 8.290 nan 0.000 0.519 488 R N -0.117 120.320 120.500 -0.104 0.000 2.939 488 R HA -0.187 4.367 4.340 0.357 0.000 0.255 488 R C 0.036 176.396 176.300 0.100 0.000 0.882 488 R CA 1.704 57.787 56.100 -0.028 0.000 0.658 488 R CB -1.722 28.640 30.300 0.103 0.000 1.447 488 R HN 0.887 nan 8.270 nan 0.000 0.506 489 K N 0.522 120.939 120.400 0.029 0.000 2.498 489 K HA 0.574 5.108 4.320 0.357 0.000 0.254 489 K C -0.455 176.126 176.600 -0.031 0.000 0.933 489 K CA -1.041 55.230 56.287 -0.027 0.000 0.806 489 K CB 2.001 34.376 32.500 -0.208 0.000 1.301 489 K HN 0.030 nan 8.250 nan 0.000 0.432 490 I N 2.366 122.846 120.570 -0.150 0.000 2.440 490 I HA 0.377 4.761 4.170 0.357 0.000 0.294 490 I C -0.765 175.041 176.117 -0.518 0.000 0.995 490 I CA -0.730 60.497 61.300 -0.121 0.000 1.306 490 I CB 0.488 38.413 38.000 -0.126 0.000 1.407 490 I HN 0.447 nan 8.210 nan 0.000 0.501 491 F N 3.105 122.984 119.950 -0.119 0.000 2.593 491 F HA 0.631 5.371 4.527 0.355 0.000 0.320 491 F C 0.258 175.919 175.800 -0.232 0.000 1.060 491 F CA -0.911 57.007 58.000 -0.136 0.000 0.940 491 F CB 1.633 40.604 39.000 -0.049 0.000 1.268 491 F HN 0.350 nan 8.300 nan 0.000 0.475 492 A N 0.865 123.692 122.820 0.012 0.000 2.294 492 A HA 0.639 5.173 4.320 0.357 0.000 0.316 492 A C 0.635 178.266 177.584 0.079 0.000 1.359 492 A CA 0.112 52.115 52.037 -0.057 0.000 0.956 492 A CB 0.205 19.089 19.000 -0.194 0.000 1.155 492 A HN 0.968 nan 8.150 nan 0.000 0.544 493 A N 2.618 125.443 122.820 0.008 0.000 2.016 493 A HA 0.322 4.856 4.320 0.357 0.000 0.217 493 A C 1.165 178.702 177.584 -0.079 0.000 1.162 493 A CA 1.627 53.633 52.037 -0.050 0.000 0.662 493 A CB 0.018 18.899 19.000 -0.198 0.000 0.812 493 A HN 0.638 nan 8.150 nan 0.000 0.450 494 T N -0.872 113.600 114.554 -0.137 0.000 2.887 494 T HA 0.506 5.070 4.350 0.357 0.000 0.292 494 T C -0.039 174.555 174.700 -0.176 0.000 1.087 494 T CA -0.011 61.990 62.100 -0.164 0.000 1.009 494 T CB 1.569 70.251 68.868 -0.311 0.000 1.203 494 T HN 0.377 nan 8.240 nan 0.000 0.518 495 T N -0.749 113.717 114.554 -0.148 0.000 2.849 495 T HA 0.371 4.935 4.350 0.357 0.000 0.284 495 T C 0.301 174.947 174.700 -0.089 0.000 1.004 495 T CA -0.872 61.131 62.100 -0.161 0.000 1.021 495 T CB 0.535 69.349 68.868 -0.089 0.000 1.013 495 T HN 0.719 nan 8.240 nan 0.000 0.527 496 E N 0.312 120.482 120.200 -0.050 0.000 2.462 496 E HA 0.248 4.813 4.350 0.357 0.000 0.255 496 E C -0.191 176.422 176.600 0.021 0.000 1.311 496 E CA -0.423 55.979 56.400 0.004 0.000 1.629 496 E CB -0.708 29.023 29.700 0.052 0.000 1.510 496 E HN 0.703 nan 8.360 nan 0.000 0.438 497 N N 0.401 119.100 118.700 -0.001 0.000 2.184 497 N HA -0.003 4.951 4.740 0.357 0.000 0.206 497 N C 0.108 175.618 175.510 -0.000 0.000 1.151 497 N CA 0.200 53.249 53.050 -0.001 0.000 0.878 497 N CB 0.841 39.318 38.487 -0.016 0.000 1.014 497 N HN 0.330 nan 8.380 nan 0.000 0.512 498 S N -1.200 114.513 115.700 0.021 0.000 3.888 498 S HA 0.188 4.873 4.470 0.357 0.000 0.307 498 S C -1.507 173.176 174.600 0.140 0.000 1.122 498 S CA -0.752 57.486 58.200 0.062 0.000 1.197 498 S CB 1.337 64.572 63.200 0.059 0.000 1.533 498 S HN 0.049 nan 8.310 nan 0.000 0.696 499 H N 1.736 120.878 119.070 0.120 0.000 2.762 499 H HA 0.488 5.264 4.556 0.367 0.000 0.310 499 H C -1.667 173.844 175.328 0.305 0.000 1.004 499 H CA -0.313 55.852 56.048 0.195 0.000 1.267 499 H CB 0.609 30.513 29.762 0.236 0.000 1.437 499 H HN 0.559 nan 8.280 nan 0.000 0.498 500 D N 6.041 126.439 120.400 -0.005 0.000 2.308 500 D HA 0.200 5.054 4.640 0.357 0.000 0.242 500 D C -0.197 176.152 176.300 0.081 0.000 1.059 500 D CA -0.142 53.907 54.000 0.082 0.000 0.830 500 D CB 1.962 42.718 40.800 -0.074 0.000 1.161 500 D HN 0.574 nan 8.370 nan 0.000 0.494 501 Y N -1.796 118.502 120.300 -0.003 0.000 2.974 501 Y HA 0.577 5.381 4.550 0.423 0.000 0.310 501 Y C 0.226 176.186 175.900 0.100 0.000 1.551 501 Y CA -1.426 56.679 58.100 0.008 0.000 1.084 501 Y CB 0.485 38.966 38.460 0.035 0.000 1.446 501 Y HN 0.356 nan 8.280 nan 0.000 0.472 502 A N -0.209 122.714 122.820 0.171 0.000 2.704 502 A HA -0.144 4.390 4.320 0.357 0.000 0.299 502 A C -2.439 175.163 177.584 0.029 0.000 1.507 502 A CA 0.364 52.447 52.037 0.078 0.000 0.776 502 A CB -2.749 16.256 19.000 0.008 0.000 1.027 502 A HN 0.583 nan 8.150 nan 0.000 0.475 503 P HA 0.385 nan 4.420 nan 0.000 0.266 503 P C -0.131 177.160 177.300 -0.015 0.000 1.193 503 P CA 1.088 64.190 63.100 0.004 0.000 0.770 503 P CB 0.913 32.593 31.700 -0.032 0.000 0.836 504 A N 2.385 125.147 122.820 -0.098 0.000 2.532 504 A HA 0.589 5.123 4.320 0.357 0.000 0.296 504 A C -1.124 176.403 177.584 -0.096 0.000 1.058 504 A CA -0.573 51.443 52.037 -0.036 0.000 0.729 504 A CB 0.479 19.498 19.000 0.033 0.000 1.285 504 A HN 0.271 nan 8.150 nan 0.000 0.396 505 F N 1.586 121.641 119.950 0.176 0.000 2.380 505 F HA 0.477 5.337 4.527 0.554 0.000 0.321 505 F C 0.859 176.763 175.800 0.172 0.000 1.103 505 F CA 0.003 58.117 58.000 0.191 0.000 1.067 505 F CB 1.100 40.199 39.000 0.165 0.000 1.265 505 F HN 0.687 nan 8.300 nan 0.000 0.517 506 D N 0.626 121.268 120.400 0.404 0.000 2.340 506 D HA 0.365 5.219 4.640 0.357 0.000 0.251 506 D C 0.811 177.243 176.300 0.222 0.000 1.080 506 D CA -0.397 53.752 54.000 0.250 0.000 0.971 506 D CB 0.826 41.790 40.800 0.273 0.000 1.137 506 D HN 0.566 nan 8.370 nan 0.000 0.475 507 A N 1.230 124.137 122.820 0.144 0.000 1.881 507 A HA -0.292 4.243 4.320 0.357 0.000 0.219 507 A C 1.502 179.163 177.584 0.129 0.000 1.215 507 A CA 2.132 54.241 52.037 0.120 0.000 0.648 507 A CB -0.861 18.189 19.000 0.083 0.000 0.832 507 A HN 0.636 nan 8.150 nan 0.000 0.455 508 D N -0.305 120.174 120.400 0.132 0.000 2.378 508 D HA 0.114 4.969 4.640 0.357 0.000 0.227 508 D C 0.374 176.778 176.300 0.174 0.000 1.012 508 D CA 1.031 55.107 54.000 0.128 0.000 0.905 508 D CB -0.215 40.649 40.800 0.107 0.000 0.895 508 D HN 0.293 nan 8.370 nan 0.000 0.532 509 S N -0.270 115.561 115.700 0.218 0.000 3.711 509 S HA -0.163 4.521 4.470 0.357 0.000 0.374 509 S C 1.207 176.001 174.600 0.323 0.000 0.969 509 S CA 0.356 58.719 58.200 0.273 0.000 1.198 509 S CB -0.606 62.723 63.200 0.216 0.000 0.903 509 S HN 0.290 nan 8.310 nan 0.000 0.493 510 K N -0.108 120.459 120.400 0.278 0.000 2.387 510 K HA 0.214 4.748 4.320 0.357 0.000 0.197 510 K C 0.183 176.893 176.600 0.184 0.000 1.127 510 K CA 0.599 57.028 56.287 0.237 0.000 0.950 510 K CB 0.230 32.822 32.500 0.153 0.000 1.017 510 K HN 0.577 nan 8.250 nan 0.000 0.519 511 N N 0.226 119.041 118.700 0.191 0.000 2.242 511 N HA 0.291 5.245 4.740 0.357 0.000 0.292 511 N C -1.672 173.883 175.510 0.075 0.000 1.125 511 N CA -0.682 52.403 53.050 0.058 0.000 0.783 511 N CB 2.035 40.480 38.487 -0.070 0.000 1.558 511 N HN -0.151 nan 8.380 nan 0.000 0.472 512 L N 1.855 123.010 121.223 -0.114 0.000 2.296 512 L HA 0.556 5.111 4.340 0.357 0.000 0.286 512 L C -1.633 175.117 176.870 -0.200 0.000 1.023 512 L CA -0.421 54.276 54.840 -0.238 0.000 0.812 512 L CB 0.064 41.911 42.059 -0.354 0.000 1.223 512 L HN 0.495 nan 8.230 nan 0.000 0.421 513 Y N 5.214 125.449 120.300 -0.109 0.000 2.457 513 Y HA 0.688 5.397 4.550 0.265 0.000 0.333 513 Y C -0.422 175.490 175.900 0.020 0.000 1.119 513 Y CA -0.173 57.895 58.100 -0.054 0.000 1.143 513 Y CB 1.588 39.992 38.460 -0.094 0.000 1.230 513 Y HN 0.647 nan 8.280 nan 0.000 0.469 514 Y N -1.319 118.983 120.300 0.003 0.000 2.779 514 Y HA 0.738 5.205 4.550 -0.139 0.000 0.340 514 Y C -2.401 173.414 175.900 -0.140 0.000 1.252 514 Y CA -1.831 56.200 58.100 -0.115 0.000 1.072 514 Y CB 0.785 39.151 38.460 -0.157 0.000 1.343 514 Y HN 0.425 nan 8.280 nan 0.000 0.450 515 L N 2.077 123.107 121.223 -0.322 0.000 2.303 515 L HA 0.926 5.480 4.340 0.357 0.000 0.266 515 L C -0.724 175.910 176.870 -0.393 0.000 1.011 515 L CA -0.973 53.571 54.840 -0.493 0.000 0.818 515 L CB 2.372 43.940 42.059 -0.817 0.000 1.326 515 L HN 0.914 nan 8.230 nan 0.000 0.435 516 S N -1.064 114.561 115.700 -0.126 0.000 2.547 516 S HA 0.419 5.104 4.470 0.357 0.000 0.270 516 S C -1.196 173.450 174.600 0.077 0.000 1.150 516 S CA -0.740 57.519 58.200 0.097 0.000 0.850 516 S CB 1.003 64.242 63.200 0.064 0.000 1.118 516 S HN 0.370 nan 8.310 nan 0.000 0.461 517 Y N 1.187 121.688 120.300 0.334 0.000 2.880 517 Y HA 0.356 5.131 4.550 0.375 0.000 0.386 517 Y C 1.590 177.543 175.900 0.088 0.000 1.172 517 Y CA -0.583 57.639 58.100 0.202 0.000 1.770 517 Y CB -0.238 38.313 38.460 0.152 0.000 1.809 517 Y HN 0.596 nan 8.280 nan 0.000 0.472 518 R N -1.461 119.151 120.500 0.187 0.000 2.308 518 R HA 0.136 4.691 4.340 0.357 0.000 0.202 518 R C 0.814 177.174 176.300 0.100 0.000 0.898 518 R CA 0.123 56.286 56.100 0.105 0.000 1.046 518 R CB 0.396 30.740 30.300 0.074 0.000 1.026 518 R HN 0.034 nan 8.270 nan 0.000 0.512 519 S N 2.320 118.109 115.700 0.148 0.000 3.864 519 S HA 0.163 4.847 4.470 0.357 0.000 0.202 519 S C 0.321 174.979 174.600 0.097 0.000 1.402 519 S CA -0.056 58.219 58.200 0.124 0.000 1.072 519 S CB -0.511 62.765 63.200 0.126 0.000 1.383 519 S HN 0.196 nan 8.310 nan 0.000 0.458 520 L N 2.369 123.608 121.223 0.026 0.000 2.615 520 L HA 0.068 4.623 4.340 0.357 0.000 0.284 520 L C 0.338 177.328 176.870 0.199 0.000 1.237 520 L CA 0.369 55.218 54.840 0.015 0.000 0.905 520 L CB 0.013 41.974 42.059 -0.163 0.000 1.149 520 L HN 0.293 nan 8.230 nan 0.000 0.499 521 D N 4.134 124.765 120.400 0.385 0.000 2.400 521 D HA 0.196 5.050 4.640 0.357 0.000 0.197 521 D C -2.696 173.758 176.300 0.257 0.000 1.295 521 D CA -0.869 53.288 54.000 0.261 0.000 0.878 521 D CB 1.847 42.744 40.800 0.161 0.000 1.659 521 D HN 0.096 nan 8.370 nan 0.000 0.546 522 P HA 0.250 nan 4.420 nan 0.000 0.271 522 P C -0.576 176.749 177.300 0.041 0.000 1.216 522 P CA -0.322 62.722 63.100 -0.093 0.000 0.776 522 P CB 0.955 32.524 31.700 -0.219 0.000 0.881 523 S N 3.726 119.461 115.700 0.058 0.000 2.454 523 S HA 0.481 5.166 4.470 0.357 0.000 0.306 523 S C -2.318 172.379 174.600 0.162 0.000 1.100 523 S CA -1.313 56.950 58.200 0.106 0.000 1.087 523 S CB 1.301 64.530 63.200 0.048 0.000 1.019 523 S HN 0.445 nan 8.310 nan 0.000 0.480 524 P HA 0.125 nan 4.420 nan 0.000 0.275 524 P C -1.026 176.142 177.300 -0.221 0.000 1.228 524 P CA -0.325 62.711 63.100 -0.107 0.000 0.786 524 P CB 0.616 32.341 31.700 0.041 0.000 0.927 525 D N 2.785 122.946 120.400 -0.399 0.000 2.210 525 D HA 0.076 4.930 4.640 0.357 0.000 0.249 525 D C 0.903 177.075 176.300 -0.214 0.000 1.078 525 D CA -0.399 53.435 54.000 -0.277 0.000 0.875 525 D CB 0.942 41.542 40.800 -0.333 0.000 1.175 525 D HN 0.108 nan 8.370 nan 0.000 0.440 526 R N 2.699 123.117 120.500 -0.137 0.000 2.299 526 R HA 0.062 4.616 4.340 0.357 0.000 0.197 526 R C 1.007 177.256 176.300 -0.084 0.000 0.971 526 R CA 0.234 56.277 56.100 -0.094 0.000 1.030 526 R CB -0.019 30.247 30.300 -0.057 0.000 0.932 526 R HN 0.336 nan 8.270 nan 0.000 0.477 527 V N -0.647 119.203 119.914 -0.108 0.000 3.054 527 V HA 0.137 4.471 4.120 0.357 0.000 0.227 527 V C 0.658 176.700 176.094 -0.087 0.000 1.252 527 V CA 0.266 62.520 62.300 -0.077 0.000 1.279 527 V CB 0.497 32.284 31.823 -0.060 0.000 1.118 527 V HN -0.209 nan 8.190 nan 0.000 0.504 528 V N 2.488 122.304 119.914 -0.164 0.000 2.481 528 V HA 0.370 4.705 4.120 0.357 0.000 0.286 528 V C -0.058 175.925 176.094 -0.184 0.000 1.042 528 V CA -0.575 61.631 62.300 -0.157 0.000 0.928 528 V CB 1.572 33.180 31.823 -0.359 0.000 0.986 528 V HN 0.386 nan 8.190 nan 0.000 0.462 529 L N 5.969 127.133 121.223 -0.099 0.000 2.699 529 L HA 0.264 4.818 4.340 0.357 0.000 0.283 529 L C -0.032 176.725 176.870 -0.187 0.000 1.166 529 L CA 1.151 55.908 54.840 -0.137 0.000 1.043 529 L CB -1.325 40.724 42.059 -0.016 0.000 1.369 529 L HN 0.858 nan 8.230 nan 0.000 0.462 530 N N 3.759 122.203 118.700 -0.427 0.000 2.961 530 N HA 0.426 5.380 4.740 0.357 0.000 0.245 530 N C -1.855 173.226 175.510 -0.715 0.000 1.404 530 N CA -0.419 52.419 53.050 -0.352 0.000 0.880 530 N CB 1.089 39.440 38.487 -0.227 0.000 1.461 530 N HN 0.206 nan 8.380 nan 0.000 0.510 531 F N 0.150 120.024 119.950 -0.127 0.000 2.588 531 F HA 0.543 5.284 4.527 0.356 0.000 0.310 531 F C 0.398 176.036 175.800 -0.270 0.000 1.082 531 F CA -0.511 57.380 58.000 -0.182 0.000 0.929 531 F CB 2.145 41.031 39.000 -0.191 0.000 1.254 531 F HN 0.353 nan 8.300 nan 0.000 0.455 532 S N 1.334 116.956 115.700 -0.130 0.000 2.569 532 S HA 0.679 5.363 4.470 0.357 0.000 0.280 532 S C -1.365 173.035 174.600 -0.334 0.000 1.111 532 S CA -0.573 57.478 58.200 -0.247 0.000 0.887 532 S CB 0.708 63.842 63.200 -0.109 0.000 1.095 532 S HN 0.391 nan 8.310 nan 0.000 0.476 533 F N 3.257 123.233 119.950 0.044 0.000 2.462 533 F HA 0.351 5.095 4.527 0.361 0.000 0.354 533 F C 1.541 177.360 175.800 0.032 0.000 1.192 533 F CA -0.389 57.637 58.000 0.043 0.000 1.173 533 F CB 0.705 39.723 39.000 0.030 0.000 1.402 533 F HN 0.611 nan 8.300 nan 0.000 0.595 534 E N 1.730 122.022 120.200 0.153 0.000 2.045 534 E HA 0.001 4.565 4.350 0.357 0.000 0.190 534 E C 0.810 177.489 176.600 0.130 0.000 0.968 534 E CA 0.909 57.375 56.400 0.109 0.000 0.813 534 E CB -0.042 29.697 29.700 0.065 0.000 0.780 534 E HN 0.297 nan 8.360 nan 0.000 0.455 535 V N 0.644 120.635 119.914 0.129 0.000 2.225 535 V HA 0.325 4.660 4.120 0.357 0.000 0.264 535 V C 0.445 176.614 176.094 0.125 0.000 1.067 535 V CA -0.514 61.841 62.300 0.091 0.000 0.903 535 V CB 0.646 32.495 31.823 0.043 0.000 1.136 535 V HN 0.027 nan 8.190 nan 0.000 0.456 536 V N -0.111 119.919 119.914 0.194 0.000 3.070 536 V HA 0.490 4.824 4.120 0.357 0.000 0.345 536 V C 0.550 176.757 176.094 0.188 0.000 1.403 536 V CA 0.429 62.852 62.300 0.206 0.000 1.155 536 V CB 0.082 32.050 31.823 0.241 0.000 1.140 536 V HN 0.630 nan 8.190 nan 0.000 0.505 537 S N 1.477 117.221 115.700 0.073 0.000 2.508 537 S HA 0.721 5.405 4.470 0.357 0.000 0.284 537 S C -0.533 174.111 174.600 0.073 0.000 1.192 537 S CA -0.410 57.758 58.200 -0.054 0.000 1.070 537 S CB 1.313 64.374 63.200 -0.231 0.000 1.004 537 S HN 0.711 nan 8.310 nan 0.000 0.493 538 K N 3.525 124.021 120.400 0.159 0.000 2.562 538 K HA 0.534 5.068 4.320 0.357 0.000 0.267 538 K C -3.049 173.565 176.600 0.023 0.000 0.938 538 K CA -1.929 54.440 56.287 0.137 0.000 0.840 538 K CB 2.141 34.639 32.500 -0.004 0.000 1.390 538 K HN 0.377 nan 8.250 nan 0.000 0.428 539 P HA 0.390 nan 4.420 nan 0.000 0.286 539 P C -1.169 175.848 177.300 -0.472 0.000 1.261 539 P CA -0.369 62.580 63.100 -0.253 0.000 0.821 539 P CB 0.751 32.285 31.700 -0.277 0.000 1.013 540 F N 0.113 119.725 119.950 -0.563 0.000 2.650 540 F HA 0.607 5.321 4.527 0.312 0.000 0.320 540 F C -0.006 175.441 175.800 -0.589 0.000 1.091 540 F CA -0.926 56.724 58.000 -0.584 0.000 0.962 540 F CB 1.959 40.498 39.000 -0.769 0.000 1.363 540 F HN 0.070 nan 8.300 nan 0.000 0.482 541 V N 2.346 122.137 119.914 -0.205 0.000 3.049 541 V HA 0.703 5.038 4.120 0.357 0.000 0.309 541 V C -1.627 174.381 176.094 -0.143 0.000 1.148 541 V CA -0.708 61.365 62.300 -0.378 0.000 0.990 541 V CB 2.444 33.867 31.823 -0.668 0.000 1.039 541 V HN 0.596 nan 8.190 nan 0.000 0.430 542 I N 6.504 126.973 120.570 -0.169 0.000 2.531 542 I HA 0.393 4.778 4.170 0.357 0.000 0.283 542 I C -2.667 173.381 176.117 -0.115 0.000 1.083 542 I CA -1.601 59.650 61.300 -0.081 0.000 1.071 542 I CB 2.659 40.646 38.000 -0.022 0.000 1.210 542 I HN 0.472 nan 8.210 nan 0.000 0.450 543 P HA 0.164 nan 4.420 nan 0.000 0.276 543 P C 0.523 177.797 177.300 -0.043 0.000 1.235 543 P CA -0.170 62.898 63.100 -0.053 0.000 0.772 543 P CB 1.281 32.958 31.700 -0.038 0.000 0.871 544 L N 2.596 123.813 121.223 -0.011 0.000 2.552 544 L HA 0.125 4.679 4.340 0.357 0.000 0.227 544 L C 1.087 178.002 176.870 0.076 0.000 1.146 544 L CA 0.711 55.531 54.840 -0.033 0.000 0.858 544 L CB -0.391 41.623 42.059 -0.076 0.000 0.969 544 L HN 0.335 nan 8.230 nan 0.000 0.451 545 I N 0.853 121.460 120.570 0.061 0.000 2.405 545 I HA 0.287 4.672 4.170 0.357 0.000 0.280 545 I C -2.252 173.861 176.117 -0.005 0.000 1.027 545 I CA -2.035 59.285 61.300 0.035 0.000 1.161 545 I CB 1.373 39.376 38.000 0.005 0.000 1.300 545 I HN -0.269 nan 8.210 nan 0.000 0.463 546 P HA 0.006 nan 4.420 nan 0.000 0.263 546 P C 0.957 178.243 177.300 -0.023 0.000 1.175 546 P CA 0.965 64.047 63.100 -0.029 0.000 0.761 546 P CB 0.618 32.299 31.700 -0.032 0.000 0.794 547 G N 1.458 110.243 108.800 -0.025 0.000 2.279 547 G HA2 -0.243 3.931 3.960 0.357 0.000 0.223 547 G HA3 -0.243 3.931 3.960 0.357 0.000 0.223 547 G C 0.514 175.404 174.900 -0.017 0.000 1.015 547 G CA 0.168 45.256 45.100 -0.020 0.000 0.621 547 G HN 0.772 nan 8.290 nan 0.000 0.506 548 S N 3.282 118.972 115.700 -0.016 0.000 2.528 548 S HA 0.603 5.287 4.470 0.357 0.000 0.277 548 S C -1.129 173.462 174.600 -0.015 0.000 1.297 548 S CA -0.326 57.867 58.200 -0.012 0.000 1.052 548 S CB 1.254 64.450 63.200 -0.007 0.000 0.917 548 S HN 0.469 nan 8.310 nan 0.000 0.492 549 P HA 0.167 nan 4.420 nan 0.000 0.282 549 P C -0.778 176.512 177.300 -0.017 0.000 1.287 549 P CA -0.799 62.293 63.100 -0.013 0.000 0.792 549 P CB 0.402 32.098 31.700 -0.006 0.000 1.163 550 N N 1.580 120.267 118.700 -0.021 0.000 2.427 550 N HA 0.011 4.965 4.740 0.357 0.000 0.269 550 N C -1.191 174.319 175.510 -0.001 0.000 1.235 550 N CA -1.571 51.460 53.050 -0.031 0.000 0.934 550 N CB 0.057 38.522 38.487 -0.037 0.000 1.121 550 N HN 0.188 nan 8.380 nan 0.000 0.480 551 P HA -0.182 nan 4.420 nan 0.000 0.217 551 P C 0.969 178.314 177.300 0.075 0.000 1.148 551 P CA 1.542 64.677 63.100 0.058 0.000 0.834 551 P CB -0.085 31.677 31.700 0.104 0.000 0.783 552 T N -3.380 111.223 114.554 0.081 0.000 3.085 552 T HA 0.031 4.595 4.350 0.357 0.000 0.263 552 T C 1.658 176.402 174.700 0.073 0.000 1.127 552 T CA 0.547 62.709 62.100 0.104 0.000 1.103 552 T CB -0.606 68.328 68.868 0.110 0.000 0.921 552 T HN 0.153 nan 8.240 nan 0.000 0.510 553 K N 0.933 121.356 120.400 0.039 0.000 2.555 553 K HA 0.258 4.792 4.320 0.357 0.000 0.193 553 K C 0.374 176.990 176.600 0.027 0.000 1.032 553 K CA 0.020 56.323 56.287 0.026 0.000 1.004 553 K CB -0.485 32.020 32.500 0.008 0.000 0.804 553 K HN 0.402 nan 8.250 nan 0.000 0.496 554 L N 0.948 122.191 121.223 0.033 0.000 3.739 554 L HA -0.199 4.355 4.340 0.357 0.000 0.442 554 L C -0.562 176.317 176.870 0.016 0.000 1.241 554 L CA -0.192 54.663 54.840 0.026 0.000 0.819 554 L CB -1.887 40.185 42.059 0.022 0.000 1.679 554 L HN -0.099 nan 8.230 nan 0.000 0.889 555 V N 0.721 120.644 119.914 0.015 0.000 2.405 555 V HA 0.195 4.530 4.120 0.357 0.000 0.264 555 V C -1.273 174.826 176.094 0.008 0.000 1.048 555 V CA -1.166 61.139 62.300 0.009 0.000 0.966 555 V CB 0.690 32.517 31.823 0.006 0.000 1.015 555 V HN 0.176 nan 8.190 nan 0.000 0.477 556 P HA -0.045 nan 4.420 nan 0.000 0.259 556 P C 0.792 178.095 177.300 0.005 0.000 1.163 556 P CA 0.067 63.170 63.100 0.005 0.000 0.760 556 P CB 0.431 32.133 31.700 0.003 0.000 0.762 557 R N 4.055 124.559 120.500 0.005 0.000 2.105 557 R HA -0.168 4.386 4.340 0.357 0.000 0.239 557 R C 1.878 178.180 176.300 0.002 0.000 1.135 557 R CA 2.410 58.512 56.100 0.004 0.000 0.967 557 R CB -1.275 29.028 30.300 0.005 0.000 0.861 557 R HN 0.526 nan 8.270 nan 0.000 0.442 558 S N -0.880 114.821 115.700 0.002 0.000 2.469 558 S HA -0.106 4.578 4.470 0.357 0.000 0.238 558 S C 1.662 176.262 174.600 -0.000 0.000 0.998 558 S CA 1.301 59.501 58.200 0.000 0.000 0.957 558 S CB -0.196 63.004 63.200 0.000 0.000 0.764 558 S HN 0.417 nan 8.310 nan 0.000 0.514 559 M N 1.911 121.511 119.600 0.000 0.000 2.383 559 M HA 0.197 4.892 4.480 0.357 0.000 0.247 559 M C -0.067 176.232 176.300 -0.001 0.000 1.117 559 M CA -0.008 55.292 55.300 -0.000 0.000 0.995 559 M CB 0.558 33.158 32.600 0.000 0.000 1.480 559 M HN 0.420 nan 8.290 nan 0.000 0.485 560 T N -2.159 112.394 114.554 -0.001 0.000 2.887 560 T HA 0.587 5.152 4.350 0.357 0.000 0.292 560 T C -0.001 174.696 174.700 -0.004 0.000 1.087 560 T CA -0.882 61.216 62.100 -0.003 0.000 1.009 560 T CB 1.842 70.709 68.868 -0.002 0.000 1.203 560 T HN 0.095 nan 8.240 nan 0.000 0.518 561 S N -0.393 115.303 115.700 -0.006 0.000 2.235 561 S HA 0.460 5.144 4.470 0.357 0.000 0.152 561 S C -0.263 174.330 174.600 -0.011 0.000 1.649 561 S CA -0.790 57.405 58.200 -0.008 0.000 1.277 561 S CB 0.271 63.466 63.200 -0.008 0.000 1.299 561 S HN 0.645 nan 8.310 nan 0.000 0.388 562 E N 2.447 122.641 120.200 -0.010 0.000 4.428 562 E HA 0.618 5.182 4.350 0.357 0.000 0.575 562 E C 1.106 177.694 176.600 -0.021 0.000 0.701 562 E CA 0.612 57.004 56.400 -0.014 0.000 3.828 562 E CB -0.384 29.311 29.700 -0.009 0.000 2.242 562 E HN 1.174 nan 8.360 nan 0.000 0.355 563 A N -0.736 122.067 122.820 -0.028 0.000 2.745 563 A HA -0.159 4.376 4.320 0.357 0.000 0.296 563 A C 0.999 178.555 177.584 -0.046 0.000 1.500 563 A CA 1.074 53.087 52.037 -0.041 0.000 0.766 563 A CB -2.272 16.709 19.000 -0.031 0.000 1.030 563 A HN 0.487 nan 8.150 nan 0.000 0.489 564 G N -1.204 107.568 108.800 -0.048 0.000 3.197 564 G HA2 0.478 4.653 3.960 0.357 0.000 0.167 564 G HA3 0.478 4.653 3.960 0.357 0.000 0.167 564 G C 0.260 175.121 174.900 -0.066 0.000 1.914 564 G CA 0.668 45.742 45.100 -0.043 0.000 0.956 564 G HN 1.005 nan 8.290 nan 0.000 0.480 565 E N -2.210 117.953 120.200 -0.060 0.000 2.380 565 E HA 0.271 4.836 4.350 0.357 0.000 0.281 565 E C -1.418 175.179 176.600 -0.005 0.000 0.999 565 E CA -0.725 55.626 56.400 -0.081 0.000 0.800 565 E CB 1.376 31.052 29.700 -0.039 0.000 1.228 565 E HN 0.374 nan 8.360 nan 0.000 0.436 566 Y N 1.749 122.050 120.300 0.002 0.000 2.904 566 Y HA -0.038 4.728 4.550 0.360 0.000 0.336 566 Y C 0.486 176.354 175.900 -0.052 0.000 1.263 566 Y CA 0.631 58.724 58.100 -0.012 0.000 1.547 566 Y CB 0.469 38.977 38.460 0.081 0.000 1.272 566 Y HN 0.331 nan 8.280 nan 0.000 0.596 567 D N 4.487 124.927 120.400 0.067 0.000 2.312 567 D HA 0.117 4.971 4.640 0.357 0.000 0.229 567 D C -0.448 175.740 176.300 -0.186 0.000 1.337 567 D CA -0.282 53.686 54.000 -0.053 0.000 0.964 567 D CB 0.535 41.322 40.800 -0.021 0.000 1.456 567 D HN 0.528 nan 8.370 nan 0.000 0.547 568 L N 1.994 122.959 121.223 -0.431 0.000 2.612 568 L HA 0.213 4.767 4.340 0.357 0.000 0.230 568 L C 0.443 177.108 176.870 -0.341 0.000 1.140 568 L CA 0.010 54.491 54.840 -0.598 0.000 0.896 568 L CB -0.485 40.851 42.059 -1.204 0.000 1.065 568 L HN 0.106 nan 8.230 nan 0.000 0.447 569 N N 0.985 119.614 118.700 -0.119 0.000 2.497 569 N HA 0.001 4.955 4.740 0.357 0.000 0.268 569 N C -0.088 175.431 175.510 0.014 0.000 1.171 569 N CA -0.103 53.010 53.050 0.105 0.000 0.948 569 N CB 0.311 38.867 38.487 0.116 0.000 1.069 569 N HN 0.049 nan 8.380 nan 0.000 0.460 570 D N 1.222 121.658 120.400 0.060 0.000 2.737 570 D HA -0.230 4.624 4.640 0.357 0.000 0.233 570 D C 1.128 177.187 176.300 -0.401 0.000 1.155 570 D CA 0.671 54.511 54.000 -0.267 0.000 0.667 570 D CB -0.847 39.797 40.800 -0.261 0.000 1.060 570 D HN 0.715 nan 8.370 nan 0.000 0.427 571 M N -1.836 117.674 119.600 -0.150 0.000 2.374 571 M HA -0.163 4.531 4.480 0.357 0.000 0.264 571 M C 2.090 178.312 176.300 -0.130 0.000 1.067 571 M CA 1.056 56.276 55.300 -0.133 0.000 1.103 571 M CB -0.697 31.849 32.600 -0.091 0.000 1.402 571 M HN 0.161 nan 8.290 nan 0.000 0.444 572 Y N 0.493 120.770 120.300 -0.039 0.000 2.574 572 Y HA 0.145 4.902 4.550 0.345 0.000 0.294 572 Y C 1.599 177.487 175.900 -0.019 0.000 1.142 572 Y CA 0.581 58.656 58.100 -0.043 0.000 1.314 572 Y CB -1.023 37.407 38.460 -0.050 0.000 0.991 572 Y HN 0.235 nan 8.280 nan 0.000 0.555 573 K N 0.712 120.803 120.400 -0.514 0.000 2.262 573 K HA 0.094 4.628 4.320 0.357 0.000 0.200 573 K C 1.721 178.241 176.600 -0.134 0.000 1.049 573 K CA 0.634 56.738 56.287 -0.305 0.000 0.979 573 K CB -0.006 32.266 32.500 -0.379 0.000 0.773 573 K HN 0.370 nan 8.250 nan 0.000 0.474 574 R N 1.433 121.858 120.500 -0.126 0.000 2.313 574 R HA 0.039 4.593 4.340 0.357 0.000 0.199 574 R C 0.741 177.029 176.300 -0.019 0.000 0.958 574 R CA 0.102 56.162 56.100 -0.067 0.000 1.047 574 R CB -0.057 30.198 30.300 -0.074 0.000 0.955 574 R HN 0.078 nan 8.270 nan 0.000 0.481 575 S N 0.739 116.446 115.700 0.013 0.000 2.563 575 S HA 0.096 4.781 4.470 0.357 0.000 0.284 575 S C 0.154 174.825 174.600 0.117 0.000 1.331 575 S CA -0.445 57.809 58.200 0.090 0.000 1.047 575 S CB 1.455 64.739 63.200 0.140 0.000 0.859 575 S HN 0.137 nan 8.310 nan 0.000 0.514 576 S N 2.422 118.212 115.700 0.150 0.000 2.537 576 S HA 0.697 5.382 4.470 0.357 0.000 0.270 576 S C -3.123 171.498 174.600 0.035 0.000 1.142 576 S CA -1.347 56.911 58.200 0.098 0.000 0.870 576 S CB 1.864 65.064 63.200 -0.001 0.000 1.112 576 S HN 0.726 nan 8.310 nan 0.000 0.466 577 P HA 0.506 nan 4.420 nan 0.000 0.280 577 P C -0.879 176.171 177.300 -0.417 0.000 1.272 577 P CA -0.766 61.910 63.100 -0.706 0.000 0.819 577 P CB 0.770 31.923 31.700 -0.912 0.000 1.122 578 I N -1.526 118.765 120.570 -0.465 0.000 2.433 578 I HA 0.411 4.795 4.170 0.357 0.000 0.292 578 I C 0.174 176.086 176.117 -0.341 0.000 1.001 578 I CA -0.855 60.249 61.300 -0.328 0.000 1.119 578 I CB 1.341 39.152 38.000 -0.314 0.000 1.289 578 I HN 0.107 nan 8.210 nan 0.000 0.438 579 N N 6.300 124.862 118.700 -0.230 0.000 2.526 579 N HA 0.055 5.010 4.740 0.357 0.000 0.302 579 N C -1.359 174.056 175.510 -0.159 0.000 1.232 579 N CA 0.363 53.327 53.050 -0.143 0.000 1.127 579 N CB -0.057 38.416 38.487 -0.024 0.000 1.476 579 N HN 0.524 nan 8.380 nan 0.000 0.498 580 V N 2.260 122.055 119.914 -0.199 0.000 2.623 580 V HA 0.108 4.443 4.120 0.357 0.000 0.304 580 V C -0.450 175.632 176.094 -0.020 0.000 1.054 580 V CA -1.143 61.067 62.300 -0.150 0.000 0.882 580 V CB 2.063 33.684 31.823 -0.336 0.000 1.002 580 V HN 0.344 nan 8.190 nan 0.000 0.424 581 D N 5.576 126.009 120.400 0.055 0.000 2.571 581 D HA 0.111 4.966 4.640 0.357 0.000 0.231 581 D C -2.293 174.107 176.300 0.167 0.000 1.133 581 D CA -0.300 53.756 54.000 0.094 0.000 0.862 581 D CB 0.687 41.547 40.800 0.100 0.000 1.179 581 D HN 0.289 nan 8.370 nan 0.000 0.474 582 P HA 0.265 nan 4.420 nan 0.000 0.269 582 P C 0.141 177.437 177.300 -0.007 0.000 1.209 582 P CA -0.008 63.143 63.100 0.085 0.000 0.776 582 P CB 0.994 32.735 31.700 0.068 0.000 0.876 583 G N 0.843 109.477 108.800 -0.278 0.000 2.694 583 G HA2 0.331 4.506 3.960 0.357 0.000 0.246 583 G HA3 0.331 4.506 3.960 0.357 0.000 0.246 583 G C -1.616 172.964 174.900 -0.533 0.000 1.205 583 G CA -0.203 44.637 45.100 -0.433 0.000 0.891 583 G HN 0.404 nan 8.290 nan 0.000 0.515 584 D N 0.205 120.282 120.400 -0.538 0.000 2.412 584 D HA 0.422 5.277 4.640 0.357 0.000 0.276 584 D C -1.164 175.079 176.300 -0.094 0.000 1.196 584 D CA -0.413 53.484 54.000 -0.171 0.000 0.905 584 D CB -0.040 40.800 40.800 0.068 0.000 1.081 584 D HN 0.287 nan 8.370 nan 0.000 0.502 585 Y N 1.395 121.816 120.300 0.202 0.000 2.310 585 Y HA 0.392 5.155 4.550 0.354 0.000 0.326 585 Y C 1.721 177.824 175.900 0.337 0.000 1.151 585 Y CA -0.961 57.266 58.100 0.212 0.000 1.195 585 Y CB 1.375 39.892 38.460 0.095 0.000 1.210 585 Y HN 0.034 nan 8.280 nan 0.000 0.483 586 R N 1.655 122.476 120.500 0.535 0.000 2.419 586 R HA 0.299 4.854 4.340 0.357 0.000 0.235 586 R C -0.534 175.965 176.300 0.332 0.000 0.899 586 R CA 0.109 56.484 56.100 0.459 0.000 1.048 586 R CB 0.871 31.361 30.300 0.318 0.000 1.182 586 R HN 0.805 nan 8.270 nan 0.000 0.544 587 M N 0.245 120.009 119.600 0.274 0.000 2.471 587 M HA 0.454 5.148 4.480 0.357 0.000 0.284 587 M C -2.012 174.337 176.300 0.082 0.000 1.203 587 M CA -0.685 54.701 55.300 0.144 0.000 0.915 587 M CB 2.761 35.422 32.600 0.101 0.000 1.734 587 M HN -0.002 nan 8.290 nan 0.000 0.485 588 I N 4.862 125.437 120.570 0.009 0.000 2.499 588 I HA 0.557 4.941 4.170 0.357 0.000 0.288 588 I C -1.882 174.195 176.117 -0.066 0.000 1.048 588 I CA -0.731 60.535 61.300 -0.057 0.000 1.062 588 I CB 1.565 39.505 38.000 -0.099 0.000 1.238 588 I HN 0.739 nan 8.210 nan 0.000 0.426 589 I N 9.502 130.018 120.570 -0.090 0.000 2.420 589 I HA 0.388 4.772 4.170 0.357 0.000 0.282 589 I C -2.434 173.572 176.117 -0.185 0.000 1.019 589 I CA -1.837 59.406 61.300 -0.095 0.000 1.130 589 I CB 1.909 39.894 38.000 -0.025 0.000 1.262 589 I HN 0.338 nan 8.210 nan 0.000 0.454 590 P HA 0.327 nan 4.420 nan 0.000 0.282 590 P C -0.852 176.339 177.300 -0.181 0.000 1.262 590 P CA -0.024 62.815 63.100 -0.435 0.000 0.773 590 P CB 1.502 32.712 31.700 -0.816 0.000 0.879 591 L N 1.773 122.924 121.223 -0.120 0.000 2.267 591 L HA 0.356 4.910 4.340 0.357 0.000 0.264 591 L C 2.260 179.121 176.870 -0.015 0.000 1.021 591 L CA -0.820 53.995 54.840 -0.041 0.000 0.861 591 L CB 0.813 42.861 42.059 -0.019 0.000 1.443 591 L HN 0.324 nan 8.230 nan 0.000 0.475 592 E N 0.469 120.673 120.200 0.007 0.000 2.021 592 E HA -0.237 4.327 4.350 0.357 0.000 0.200 592 E C 0.971 177.584 176.600 0.021 0.000 1.015 592 E CA 2.269 58.681 56.400 0.020 0.000 0.824 592 E CB 0.114 29.826 29.700 0.021 0.000 0.762 592 E HN 0.632 nan 8.360 nan 0.000 0.454 593 S N -0.866 114.842 115.700 0.014 0.000 2.855 593 S HA 0.261 4.945 4.470 0.357 0.000 0.249 593 S C -0.236 174.369 174.600 0.009 0.000 1.033 593 S CA -0.162 58.046 58.200 0.014 0.000 1.038 593 S CB 0.735 63.938 63.200 0.004 0.000 0.960 593 S HN 0.276 nan 8.310 nan 0.000 0.548 594 S N 0.606 116.315 115.700 0.015 0.000 2.656 594 S HA 0.817 5.501 4.470 0.357 0.000 0.273 594 S C -1.350 173.264 174.600 0.023 0.000 1.168 594 S CA -0.979 57.238 58.200 0.029 0.000 0.817 594 S CB 0.934 64.139 63.200 0.008 0.000 1.146 594 S HN 0.296 nan 8.310 nan 0.000 0.475 595 I N 1.070 121.673 120.570 0.056 0.000 2.534 595 I HA 0.367 4.751 4.170 0.357 0.000 0.288 595 I C -1.214 174.896 176.117 -0.013 0.000 1.077 595 I CA -0.749 60.532 61.300 -0.031 0.000 1.051 595 I CB 1.900 39.854 38.000 -0.077 0.000 1.234 595 I HN 0.523 nan 8.210 nan 0.000 0.425 596 L N 6.621 127.823 121.223 -0.035 0.000 2.312 596 L HA 0.593 5.147 4.340 0.357 0.000 0.281 596 L C -0.512 176.343 176.870 -0.025 0.000 1.070 596 L CA -0.468 54.372 54.840 -0.001 0.000 0.805 596 L CB 1.298 43.378 42.059 0.035 0.000 1.174 596 L HN 0.423 nan 8.230 nan 0.000 0.434 597 I N 2.365 122.921 120.570 -0.023 0.000 2.582 597 I HA 0.231 4.615 4.170 0.357 0.000 0.292 597 I C -1.204 174.953 176.117 0.067 0.000 1.066 597 I CA -0.723 60.546 61.300 -0.052 0.000 1.053 597 I CB 2.445 40.276 38.000 -0.282 0.000 1.241 597 I HN 0.433 nan 8.210 nan 0.000 0.421 598 Y N 5.379 125.713 120.300 0.057 0.000 2.404 598 Y HA 0.370 5.132 4.550 0.353 0.000 0.344 598 Y C 0.359 176.401 175.900 0.237 0.000 0.970 598 Y CA 0.060 58.239 58.100 0.132 0.000 1.180 598 Y CB 1.200 39.741 38.460 0.136 0.000 1.138 598 Y HN 0.570 nan 8.280 nan 0.000 0.510 599 S N 4.862 120.558 115.700 -0.008 0.000 2.509 599 S HA 0.717 5.401 4.470 0.357 0.000 0.297 599 S C -1.455 173.143 174.600 -0.002 0.000 1.118 599 S CA -0.601 57.700 58.200 0.169 0.000 1.074 599 S CB 1.090 64.410 63.200 0.200 0.000 1.038 599 S HN 0.446 nan 8.310 nan 0.000 0.498 600 V N 5.816 125.795 119.914 0.108 0.000 2.305 600 V HA 0.396 4.730 4.120 0.357 0.000 0.275 600 V C -2.417 173.717 176.094 0.067 0.000 1.020 600 V CA -1.786 60.562 62.300 0.081 0.000 0.811 600 V CB 0.725 32.653 31.823 0.176 0.000 1.031 600 V HN 0.765 nan 8.190 nan 0.000 0.439 601 P HA 0.045 nan 4.420 nan 0.000 0.265 601 P C 0.080 177.462 177.300 0.137 0.000 1.187 601 P CA 0.177 63.309 63.100 0.054 0.000 0.766 601 P CB 0.502 32.214 31.700 0.021 0.000 0.820 602 V N 5.146 125.152 119.914 0.153 0.000 2.788 602 V HA 0.101 4.435 4.120 0.357 0.000 0.307 602 V C 0.712 176.968 176.094 0.270 0.000 1.069 602 V CA 0.908 63.332 62.300 0.206 0.000 1.173 602 V CB -0.594 31.291 31.823 0.103 0.000 0.925 602 V HN 0.806 nan 8.190 nan 0.000 0.492 603 H N 1.870 120.967 119.070 0.045 0.000 3.003 603 H HA 0.509 5.278 4.556 0.356 0.000 0.327 603 H C -0.095 175.267 175.328 0.057 0.000 1.353 603 H CA -0.470 55.607 56.048 0.048 0.000 1.142 603 H CB 1.219 31.015 29.762 0.057 0.000 1.864 603 H HN 0.733 nan 8.280 nan 0.000 0.529 604 G N -0.457 108.312 108.800 -0.051 0.000 2.684 604 G HA2 0.246 4.420 3.960 0.357 0.000 0.255 604 G HA3 0.246 4.420 3.960 0.357 0.000 0.255 604 G C 0.115 174.937 174.900 -0.129 0.000 1.219 604 G CA -0.360 44.698 45.100 -0.070 0.000 0.901 604 G HN 0.688 nan 8.290 nan 0.000 0.548 605 E N -0.182 120.011 120.200 -0.012 0.000 2.660 605 E HA 0.091 4.655 4.350 0.357 0.000 0.216 605 E C 1.038 177.745 176.600 0.178 0.000 0.986 605 E CA -0.472 55.951 56.400 0.038 0.000 1.037 605 E CB 0.299 29.993 29.700 -0.011 0.000 1.041 605 E HN 0.466 nan 8.360 nan 0.000 0.480 606 F N 2.282 122.294 119.950 0.104 0.000 2.026 606 F HA -0.230 4.511 4.527 0.357 0.000 0.296 606 F C 2.290 178.262 175.800 0.286 0.000 1.133 606 F CA 2.110 60.243 58.000 0.222 0.000 1.188 606 F CB -0.295 38.784 39.000 0.131 0.000 0.968 606 F HN 0.035 nan 8.300 nan 0.000 0.476 607 A N 0.303 123.448 122.820 0.541 0.000 1.917 607 A HA -0.158 4.377 4.320 0.357 0.000 0.219 607 A C 2.367 180.091 177.584 0.232 0.000 1.182 607 A CA 2.165 54.431 52.037 0.382 0.000 0.633 607 A CB -1.658 17.508 19.000 0.276 0.000 0.819 607 A HN 0.566 nan 8.150 nan 0.000 0.448 608 A N -2.005 120.937 122.820 0.203 0.000 1.930 608 A HA -0.072 4.462 4.320 0.357 0.000 0.217 608 A C 2.143 179.762 177.584 0.058 0.000 1.175 608 A CA 1.601 53.718 52.037 0.134 0.000 0.627 608 A CB -0.679 18.415 19.000 0.156 0.000 0.815 608 A HN 0.712 nan 8.150 nan 0.000 0.443 609 Y N -1.410 118.818 120.300 -0.119 0.000 2.220 609 Y HA -0.134 4.629 4.550 0.356 0.000 0.291 609 Y C 1.944 177.556 175.900 -0.480 0.000 1.129 609 Y CA 1.876 59.772 58.100 -0.339 0.000 1.161 609 Y CB -0.100 38.053 38.460 -0.511 0.000 0.997 609 Y HN 0.383 nan 8.280 nan 0.000 0.522 610 Y N -1.041 119.195 120.300 -0.108 0.000 2.396 610 Y HA 0.051 4.816 4.550 0.358 0.000 0.292 610 Y C 1.961 177.801 175.900 -0.100 0.000 1.128 610 Y CA 0.681 58.676 58.100 -0.175 0.000 1.194 610 Y CB -0.105 38.203 38.460 -0.254 0.000 1.124 610 Y HN -0.016 nan 8.280 nan 0.000 0.543 611 Q N -0.232 119.643 119.800 0.126 0.000 2.319 611 Q HA 0.215 4.769 4.340 0.357 0.000 0.202 611 Q C 1.441 177.471 176.000 0.050 0.000 0.896 611 Q CA 0.443 56.300 55.803 0.090 0.000 0.942 611 Q CB 0.627 29.442 28.738 0.128 0.000 1.083 611 Q HN 0.555 nan 8.270 nan 0.000 0.510 612 G N 1.417 110.227 108.800 0.017 0.000 2.200 612 G HA2 -0.381 3.793 3.960 0.357 0.000 0.267 612 G HA3 -0.381 3.793 3.960 0.357 0.000 0.267 612 G C 0.381 175.312 174.900 0.051 0.000 0.993 612 G CA 0.178 45.284 45.100 0.010 0.000 0.701 612 G HN 0.596 nan 8.290 nan 0.000 0.524 613 A N 1.094 123.962 122.820 0.080 0.000 2.584 613 A HA 0.479 5.013 4.320 0.357 0.000 0.239 613 A C -0.312 177.332 177.584 0.100 0.000 1.043 613 A CA 0.246 52.339 52.037 0.094 0.000 0.756 613 A CB 0.153 19.225 19.000 0.120 0.000 0.963 613 A HN 0.473 nan 8.150 nan 0.000 0.511 614 P HA 0.099 nan 4.420 nan 0.000 0.269 614 P C -0.278 177.080 177.300 0.097 0.000 1.215 614 P CA -0.165 62.992 63.100 0.095 0.000 0.780 614 P CB 0.649 32.403 31.700 0.091 0.000 0.898 615 E N 1.143 121.404 120.200 0.101 0.000 2.331 615 E HA 0.139 4.703 4.350 0.357 0.000 0.272 615 E C -0.326 176.290 176.600 0.026 0.000 1.036 615 E CA -0.575 55.859 56.400 0.056 0.000 0.864 615 E CB 0.584 30.354 29.700 0.116 0.000 1.035 615 E HN 0.259 nan 8.360 nan 0.000 0.408 616 K N 2.107 122.448 120.400 -0.098 0.000 2.240 616 K HA 0.415 4.949 4.320 0.357 0.000 0.271 616 K C -0.139 176.439 176.600 -0.035 0.000 1.018 616 K CA -0.570 55.692 56.287 -0.042 0.000 0.874 616 K CB 1.817 34.271 32.500 -0.077 0.000 1.098 616 K HN 0.538 nan 8.250 nan 0.000 0.458 617 G N 0.759 109.572 108.800 0.022 0.000 3.108 617 G HA2 0.681 4.855 3.960 0.357 0.000 0.268 617 G HA3 0.681 4.855 3.960 0.357 0.000 0.268 617 G C -1.437 173.266 174.900 -0.329 0.000 1.361 617 G CA -0.580 44.400 45.100 -0.199 0.000 1.047 617 G HN 0.385 nan 8.290 nan 0.000 0.540 618 V N -0.432 119.143 119.914 -0.564 0.000 2.852 618 V HA 0.513 4.848 4.120 0.357 0.000 0.300 618 V C -1.586 174.296 176.094 -0.353 0.000 1.205 618 V CA -0.808 61.297 62.300 -0.326 0.000 0.940 618 V CB 1.875 33.600 31.823 -0.163 0.000 1.047 618 V HN 0.809 nan 8.190 nan 0.000 0.429 619 L N 7.267 128.390 121.223 -0.166 0.000 2.315 619 L HA 0.570 5.124 4.340 0.357 0.000 0.283 619 L C -0.640 176.222 176.870 -0.014 0.000 1.089 619 L CA 0.630 55.452 54.840 -0.031 0.000 0.833 619 L CB 0.435 42.562 42.059 0.114 0.000 1.170 619 L HN 0.638 nan 8.230 nan 0.000 0.442 620 L N 5.009 126.229 121.223 -0.005 0.000 2.334 620 L HA 0.595 5.150 4.340 0.357 0.000 0.272 620 L C -0.290 176.591 176.870 0.020 0.000 1.020 620 L CA -0.836 54.006 54.840 0.003 0.000 0.812 620 L CB 1.730 43.789 42.059 -0.001 0.000 1.264 620 L HN 0.558 nan 8.230 nan 0.000 0.439 621 K N 1.480 121.897 120.400 0.028 0.000 2.397 621 K HA 0.367 4.901 4.320 0.357 0.000 0.253 621 K C -1.916 174.727 176.600 0.072 0.000 0.932 621 K CA -0.589 55.724 56.287 0.042 0.000 0.795 621 K CB 1.825 34.341 32.500 0.026 0.000 1.159 621 K HN 0.477 nan 8.250 nan 0.000 0.424 622 Y N 3.550 123.815 120.300 -0.057 0.000 2.328 622 Y HA 0.253 5.024 4.550 0.369 0.000 0.333 622 Y C -1.021 174.852 175.900 -0.046 0.000 0.958 622 Y CA -0.842 57.224 58.100 -0.057 0.000 1.167 622 Y CB 1.302 39.713 38.460 -0.083 0.000 1.151 622 Y HN 0.627 nan 8.280 nan 0.000 0.470 623 D N 5.975 126.099 120.400 -0.460 0.000 2.316 623 D HA 0.088 4.942 4.640 0.357 0.000 0.245 623 D C 1.324 177.287 176.300 -0.560 0.000 1.171 623 D CA 0.107 53.898 54.000 -0.347 0.000 0.856 623 D CB 1.725 42.385 40.800 -0.234 0.000 1.090 623 D HN 0.667 nan 8.370 nan 0.000 0.476 624 V N 3.395 123.175 119.914 -0.223 0.000 2.332 624 V HA -0.201 4.133 4.120 0.357 0.000 0.248 624 V C 2.126 178.156 176.094 -0.106 0.000 1.055 624 V CA 0.991 63.255 62.300 -0.059 0.000 1.038 624 V CB -0.493 31.384 31.823 0.089 0.000 0.651 624 V HN 0.349 nan 8.190 nan 0.000 0.450 625 K N 1.331 121.668 120.400 -0.105 0.000 1.973 625 K HA -0.101 4.434 4.320 0.357 0.000 0.210 625 K C 2.549 179.085 176.600 -0.107 0.000 1.045 625 K CA 2.417 58.658 56.287 -0.077 0.000 0.937 625 K CB -1.125 31.341 32.500 -0.057 0.000 0.721 625 K HN 0.781 nan 8.250 nan 0.000 0.438 626 T N -1.633 112.831 114.554 -0.149 0.000 3.055 626 T HA 0.011 4.576 4.350 0.357 0.000 0.265 626 T C 0.837 175.422 174.700 -0.192 0.000 1.111 626 T CA 0.240 62.254 62.100 -0.143 0.000 1.118 626 T CB -0.015 68.776 68.868 -0.128 0.000 0.909 626 T HN 0.259 nan 8.240 nan 0.000 0.501 627 R N 0.261 120.551 120.500 -0.350 0.000 3.863 627 R HA -0.138 4.416 4.340 0.357 0.000 0.313 627 R C -0.036 176.071 176.300 -0.322 0.000 1.202 627 R CA 1.011 56.847 56.100 -0.439 0.000 0.852 627 R CB -1.461 28.783 30.300 -0.093 0.000 1.292 627 R HN 0.614 nan 8.270 nan 0.000 0.519 628 K N 0.921 121.132 120.400 -0.314 0.000 2.123 628 K HA 0.456 4.990 4.320 0.357 0.000 0.259 628 K C -0.253 176.264 176.600 -0.138 0.000 0.960 628 K CA -0.536 55.659 56.287 -0.153 0.000 0.872 628 K CB 1.583 34.019 32.500 -0.105 0.000 1.079 628 K HN -0.077 nan 8.250 nan 0.000 0.440 629 V N 2.131 122.030 119.914 -0.025 0.000 2.732 629 V HA 0.481 4.815 4.120 0.357 0.000 0.310 629 V C -0.109 175.986 176.094 0.002 0.000 1.053 629 V CA -0.499 61.814 62.300 0.021 0.000 0.957 629 V CB 1.751 33.623 31.823 0.081 0.000 1.018 629 V HN 1.107 nan 8.190 nan 0.000 0.452 630 T N -0.125 114.432 114.554 0.004 0.000 2.816 630 T HA 0.570 5.134 4.350 0.357 0.000 0.299 630 T C -1.013 173.684 174.700 -0.004 0.000 1.230 630 T CA -0.803 61.294 62.100 -0.006 0.000 1.007 630 T CB 2.066 70.924 68.868 -0.017 0.000 1.289 630 T HN 0.623 nan 8.240 nan 0.000 0.508 631 E N 0.075 120.267 120.200 -0.015 0.000 2.156 631 E HA 0.536 5.101 4.350 0.357 0.000 0.279 631 E C 0.036 176.617 176.600 -0.032 0.000 0.965 631 E CA -0.740 55.645 56.400 -0.024 0.000 0.789 631 E CB 1.493 31.172 29.700 -0.034 0.000 1.098 631 E HN 0.477 nan 8.360 nan 0.000 0.397 632 V N 3.738 123.637 119.914 -0.025 0.000 2.795 632 V HA 0.151 4.485 4.120 0.357 0.000 0.243 632 V C 0.171 176.208 176.094 -0.096 0.000 1.069 632 V CA 0.635 62.917 62.300 -0.030 0.000 1.089 632 V CB 0.252 32.100 31.823 0.041 0.000 0.756 632 V HN 0.507 nan 8.190 nan 0.000 0.471 633 K N 0.876 121.227 120.400 -0.082 0.000 2.569 633 K HA 0.397 4.931 4.320 0.357 0.000 0.259 633 K C -1.100 175.444 176.600 -0.093 0.000 0.932 633 K CA -0.383 55.823 56.287 -0.135 0.000 0.833 633 K CB 1.552 33.963 32.500 -0.148 0.000 1.340 633 K HN 0.334 nan 8.250 nan 0.000 0.429 634 N N 0.897 119.531 118.700 -0.109 0.000 2.906 634 N HA 0.440 5.395 4.740 0.357 0.000 0.327 634 N C -0.857 174.608 175.510 -0.075 0.000 1.344 634 N CA -0.541 52.456 53.050 -0.088 0.000 0.823 634 N CB 0.186 38.625 38.487 -0.080 0.000 1.351 634 N HN 0.642 nan 8.380 nan 0.000 0.604 635 N N -1.935 116.731 118.700 -0.057 0.000 2.708 635 N HA -0.176 4.778 4.740 0.357 0.000 0.249 635 N C -1.171 174.343 175.510 0.007 0.000 1.097 635 N CA 0.232 53.263 53.050 -0.032 0.000 0.710 635 N CB -1.250 37.207 38.487 -0.050 0.000 1.032 635 N HN 0.389 nan 8.380 nan 0.000 0.551 636 L N 0.162 121.406 121.223 0.036 0.000 2.350 636 L HA 0.292 4.847 4.340 0.357 0.000 0.275 636 L C 1.698 178.690 176.870 0.203 0.000 1.099 636 L CA 0.085 55.011 54.840 0.144 0.000 0.808 636 L CB 1.186 43.383 42.059 0.231 0.000 1.149 636 L HN 0.248 nan 8.230 nan 0.000 0.442 637 T N -3.574 111.111 114.554 0.218 0.000 3.043 637 T HA 0.233 4.797 4.350 0.357 0.000 0.272 637 T C -0.101 174.731 174.700 0.221 0.000 0.990 637 T CA -0.277 61.946 62.100 0.205 0.000 0.897 637 T CB 0.339 69.290 68.868 0.139 0.000 1.111 637 T HN 0.539 nan 8.240 nan 0.000 0.529 638 D N -0.277 120.275 120.400 0.253 0.000 2.722 638 D HA 0.446 5.300 4.640 0.357 0.000 0.231 638 D C -2.065 174.392 176.300 0.262 0.000 1.218 638 D CA -0.529 53.599 54.000 0.212 0.000 0.753 638 D CB 1.809 42.798 40.800 0.314 0.000 1.471 638 D HN 0.287 nan 8.370 nan 0.000 0.455 639 L N 1.826 123.141 121.223 0.153 0.000 2.466 639 L HA 0.748 5.302 4.340 0.357 0.000 0.258 639 L C -1.443 175.504 176.870 0.129 0.000 0.973 639 L CA -0.564 54.394 54.840 0.197 0.000 0.826 639 L CB 1.670 43.844 42.059 0.193 0.000 1.372 639 L HN 0.317 nan 8.230 nan 0.000 0.409 640 R N 3.203 123.805 120.500 0.170 0.000 2.795 640 R HA 0.696 5.251 4.340 0.357 0.000 0.275 640 R C -1.804 174.533 176.300 0.061 0.000 0.981 640 R CA -0.828 55.321 56.100 0.082 0.000 0.917 640 R CB 2.232 32.581 30.300 0.082 0.000 1.202 640 R HN 0.573 nan 8.270 nan 0.000 0.469 641 L N -0.011 121.231 121.223 0.032 0.000 2.408 641 L HA 0.445 5.000 4.340 0.357 0.000 0.268 641 L C 0.200 177.084 176.870 0.024 0.000 0.986 641 L CA -0.193 54.657 54.840 0.017 0.000 0.820 641 L CB 2.114 44.184 42.059 0.018 0.000 1.303 641 L HN 0.718 nan 8.230 nan 0.000 0.411 642 S N 2.589 118.299 115.700 0.018 0.000 2.580 642 S HA 0.297 4.981 4.470 0.357 0.000 0.261 642 S C 1.368 175.990 174.600 0.036 0.000 1.366 642 S CA 0.483 58.702 58.200 0.031 0.000 0.996 642 S CB 0.903 64.117 63.200 0.023 0.000 0.902 642 S HN 0.920 nan 8.310 nan 0.000 0.566 643 A N 1.528 124.374 122.820 0.043 0.000 2.016 643 A HA 0.012 4.546 4.320 0.357 0.000 0.217 643 A C 1.513 179.123 177.584 0.044 0.000 1.162 643 A CA 1.395 53.459 52.037 0.045 0.000 0.662 643 A CB -0.647 18.379 19.000 0.042 0.000 0.812 643 A HN 0.935 nan 8.150 nan 0.000 0.450 644 D N -1.567 118.856 120.400 0.038 0.000 2.349 644 D HA -0.045 4.809 4.640 0.357 0.000 0.224 644 D C 0.779 177.098 176.300 0.032 0.000 1.029 644 D CA 0.112 54.134 54.000 0.036 0.000 0.879 644 D CB -0.505 40.315 40.800 0.033 0.000 0.906 644 D HN 0.413 nan 8.370 nan 0.000 0.528 645 R N -0.783 119.735 120.500 0.029 0.000 3.953 645 R HA -0.212 4.342 4.340 0.357 0.000 0.340 645 R C 0.607 176.915 176.300 0.013 0.000 1.195 645 R CA 1.267 57.380 56.100 0.022 0.000 0.929 645 R CB -1.825 28.492 30.300 0.027 0.000 1.402 645 R HN 0.343 nan 8.270 nan 0.000 0.540 646 K N -0.420 119.986 120.400 0.011 0.000 2.370 646 K HA 0.099 4.634 4.320 0.357 0.000 0.194 646 K C 0.260 176.852 176.600 -0.014 0.000 1.070 646 K CA 0.708 57.000 56.287 0.009 0.000 0.998 646 K CB 0.860 33.371 32.500 0.019 0.000 0.911 646 K HN 0.023 nan 8.250 nan 0.000 0.533 647 T N 1.548 116.085 114.554 -0.028 0.000 2.797 647 T HA 0.399 4.964 4.350 0.357 0.000 0.279 647 T C -0.580 174.039 174.700 -0.134 0.000 0.991 647 T CA -0.618 61.441 62.100 -0.069 0.000 0.979 647 T CB 2.330 71.185 68.868 -0.022 0.000 0.943 647 T HN -0.267 nan 8.240 nan 0.000 0.444 648 V N 4.049 123.772 119.914 -0.318 0.000 2.555 648 V HA 0.592 4.926 4.120 0.357 0.000 0.302 648 V C -0.262 175.611 176.094 -0.368 0.000 1.038 648 V CA -0.872 61.173 62.300 -0.425 0.000 0.887 648 V CB 1.784 33.111 31.823 -0.828 0.000 0.991 648 V HN 0.890 nan 8.190 nan 0.000 0.434 649 M N 6.004 125.551 119.600 -0.089 0.000 2.321 649 M HA 0.818 5.513 4.480 0.357 0.000 0.315 649 M C -1.272 175.148 176.300 0.200 0.000 1.052 649 M CA -0.507 54.842 55.300 0.082 0.000 0.936 649 M CB 1.800 34.535 32.600 0.226 0.000 1.639 649 M HN 0.681 nan 8.290 nan 0.000 0.433 650 V N 1.481 121.511 119.914 0.193 0.000 3.188 650 V HA 0.761 5.096 4.120 0.357 0.000 0.305 650 V C -1.635 174.513 176.094 0.089 0.000 1.232 650 V CA -1.048 61.391 62.300 0.231 0.000 1.043 650 V CB 2.147 34.166 31.823 0.327 0.000 1.068 650 V HN 1.013 nan 8.190 nan 0.000 0.439 651 R N 1.247 121.807 120.500 0.099 0.000 2.599 651 R HA 0.697 5.252 4.340 0.357 0.000 0.295 651 R C -0.580 175.805 176.300 0.142 0.000 0.963 651 R CA -0.571 55.553 56.100 0.040 0.000 0.883 651 R CB 2.014 32.287 30.300 -0.045 0.000 1.171 651 R HN 0.927 nan 8.270 nan 0.000 0.450 652 K N 1.562 122.060 120.400 0.164 0.000 2.211 652 K HA 0.148 4.682 4.320 0.357 0.000 0.237 652 K C 0.058 176.712 176.600 0.091 0.000 1.002 652 K CA -0.661 55.691 56.287 0.107 0.000 0.885 652 K CB 1.076 33.600 32.500 0.040 0.000 1.136 652 K HN 0.727 nan 8.250 nan 0.000 0.448 653 D N -0.008 120.428 120.400 0.060 0.000 2.411 653 D HA -0.187 4.667 4.640 0.357 0.000 0.226 653 D C 0.653 176.982 176.300 0.049 0.000 0.988 653 D CA 0.881 54.911 54.000 0.051 0.000 0.938 653 D CB -0.123 40.696 40.800 0.032 0.000 0.883 653 D HN 0.532 nan 8.370 nan 0.000 0.525 654 D N -1.362 119.076 120.400 0.063 0.000 2.340 654 D HA 0.138 4.992 4.640 0.357 0.000 0.217 654 D C 1.747 178.076 176.300 0.047 0.000 1.081 654 D CA 0.380 54.415 54.000 0.058 0.000 0.842 654 D CB -0.140 40.707 40.800 0.079 0.000 0.934 654 D HN 0.295 nan 8.370 nan 0.000 0.511 655 G N 0.654 109.482 108.800 0.047 0.000 2.304 655 G HA2 -0.331 3.843 3.960 0.357 0.000 0.252 655 G HA3 -0.331 3.843 3.960 0.357 0.000 0.252 655 G C 0.399 175.282 174.900 -0.028 0.000 1.014 655 G CA 0.409 45.516 45.100 0.011 0.000 0.619 655 G HN 0.470 nan 8.290 nan 0.000 0.525 656 K N 0.245 120.641 120.400 -0.006 0.000 2.219 656 K HA 0.597 5.132 4.320 0.357 0.000 0.258 656 K C 0.323 176.811 176.600 -0.187 0.000 1.008 656 K CA -0.144 56.053 56.287 -0.150 0.000 0.928 656 K CB 0.893 33.245 32.500 -0.248 0.000 0.983 656 K HN 0.296 nan 8.250 nan 0.000 0.484 657 I N 2.080 122.398 120.570 -0.421 0.000 2.441 657 I HA 0.292 4.676 4.170 0.357 0.000 0.295 657 I C -0.836 175.008 176.117 -0.456 0.000 0.994 657 I CA -0.803 60.268 61.300 -0.381 0.000 1.144 657 I CB 0.817 38.512 38.000 -0.507 0.000 1.314 657 I HN 0.439 nan 8.210 nan 0.000 0.445 658 Y N 2.447 122.701 120.300 -0.077 0.000 2.633 658 Y HA 0.637 5.401 4.550 0.356 0.000 0.339 658 Y C 0.185 176.138 175.900 0.087 0.000 1.045 658 Y CA -0.987 57.134 58.100 0.035 0.000 1.098 658 Y CB 2.111 40.633 38.460 0.103 0.000 1.296 658 Y HN 0.350 nan 8.280 nan 0.000 0.494 659 T N 2.189 116.937 114.554 0.324 0.000 3.032 659 T HA 0.703 5.268 4.350 0.357 0.000 0.312 659 T C -1.963 172.902 174.700 0.275 0.000 1.078 659 T CA -0.578 61.631 62.100 0.181 0.000 1.028 659 T CB 0.223 69.141 68.868 0.083 0.000 1.091 659 T HN 0.509 nan 8.240 nan 0.000 0.457 660 F N 2.222 122.226 119.950 0.090 0.000 2.641 660 F HA 0.810 5.551 4.527 0.357 0.000 0.308 660 F C -3.297 172.540 175.800 0.061 0.000 1.105 660 F CA -2.786 55.256 58.000 0.069 0.000 0.964 660 F CB 0.382 39.416 39.000 0.057 0.000 1.294 660 F HN 0.252 nan 8.300 nan 0.000 0.442 661 P HA 0.125 nan 4.420 nan 0.000 0.271 661 P C 0.627 178.015 177.300 0.146 0.000 1.216 661 P CA -0.269 62.881 63.100 0.084 0.000 0.771 661 P CB 1.034 32.794 31.700 0.100 0.000 0.864 662 L N 4.581 125.839 121.223 0.058 0.000 2.131 662 L HA -0.189 4.366 4.340 0.357 0.000 0.210 662 L C 1.954 178.899 176.870 0.124 0.000 1.092 662 L CA 1.872 56.774 54.840 0.104 0.000 0.759 662 L CB -1.159 40.925 42.059 0.042 0.000 0.903 662 L HN 0.466 nan 8.230 nan 0.000 0.435 663 E N -1.208 119.045 120.200 0.089 0.000 2.106 663 E HA -0.148 4.416 4.350 0.357 0.000 0.192 663 E C 0.274 176.922 176.600 0.080 0.000 0.984 663 E CA 0.874 57.317 56.400 0.071 0.000 0.806 663 E CB -0.170 29.561 29.700 0.052 0.000 0.750 663 E HN 0.177 nan 8.360 nan 0.000 0.458 664 K N 1.375 121.838 120.400 0.106 0.000 2.877 664 K HA 0.193 4.728 4.320 0.357 0.000 0.176 664 K C -2.112 174.575 176.600 0.146 0.000 1.075 664 K CA -2.049 54.295 56.287 0.096 0.000 0.939 664 K CB 1.545 34.090 32.500 0.074 0.000 1.237 664 K HN 0.077 nan 8.250 nan 0.000 0.607 665 P HA -0.171 nan 4.420 nan 0.000 0.229 665 P C 0.871 178.085 177.300 -0.143 0.000 1.150 665 P CA 0.956 64.132 63.100 0.127 0.000 0.765 665 P CB 0.492 32.219 31.700 0.045 0.000 0.783 666 E N 0.247 120.417 120.200 -0.050 0.000 2.285 666 E HA -0.071 4.494 4.350 0.357 0.000 0.194 666 E C 0.131 176.713 176.600 -0.031 0.000 0.997 666 E CA 0.261 56.615 56.400 -0.076 0.000 0.845 666 E CB -0.084 29.591 29.700 -0.040 0.000 0.782 666 E HN 0.116 nan 8.360 nan 0.000 0.491 667 D N 2.580 123.004 120.400 0.040 0.000 2.631 667 D HA 0.028 4.883 4.640 0.357 0.000 0.227 667 D C -0.635 175.754 176.300 0.148 0.000 1.146 667 D CA 0.128 54.176 54.000 0.079 0.000 1.009 667 D CB 0.107 40.959 40.800 0.086 0.000 1.057 667 D HN 0.391 nan 8.370 nan 0.000 0.509 668 E N 0.054 120.331 120.200 0.128 0.000 2.214 668 E HA 0.667 5.231 4.350 0.357 0.000 0.274 668 E C -0.300 176.421 176.600 0.201 0.000 0.977 668 E CA -0.922 55.619 56.400 0.235 0.000 0.827 668 E CB 1.823 31.648 29.700 0.207 0.000 1.130 668 E HN -0.061 nan 8.360 nan 0.000 0.394 669 R N 0.585 121.213 120.500 0.215 0.000 2.902 669 R HA 0.462 5.017 4.340 0.357 0.000 0.258 669 R C -0.746 175.628 176.300 0.123 0.000 1.071 669 R CA -0.751 55.434 56.100 0.143 0.000 1.024 669 R CB 1.949 32.301 30.300 0.086 0.000 1.184 669 R HN 0.501 nan 8.270 nan 0.000 0.492 670 T N 0.851 115.400 114.554 -0.008 0.000 2.799 670 T HA 0.268 4.832 4.350 0.357 0.000 0.286 670 T C -0.330 174.252 174.700 -0.197 0.000 0.973 670 T CA -0.626 61.326 62.100 -0.245 0.000 1.035 670 T CB 1.122 69.820 68.868 -0.284 0.000 0.932 670 T HN 0.131 nan 8.240 nan 0.000 0.469 671 V N 4.791 124.550 119.914 -0.259 0.000 2.372 671 V HA 0.186 4.520 4.120 0.357 0.000 0.261 671 V C 0.488 176.448 176.094 -0.224 0.000 1.055 671 V CA -0.417 61.770 62.300 -0.188 0.000 0.930 671 V CB 0.241 31.954 31.823 -0.183 0.000 1.031 671 V HN 0.748 nan 8.190 nan 0.000 0.479 672 E N 3.199 123.298 120.200 -0.169 0.000 2.231 672 E HA 0.418 4.982 4.350 0.357 0.000 0.277 672 E C 0.789 177.273 176.600 -0.192 0.000 0.999 672 E CA 0.034 56.329 56.400 -0.176 0.000 0.827 672 E CB 2.048 31.672 29.700 -0.127 0.000 1.101 672 E HN 0.811 nan 8.360 nan 0.000 0.393 673 T N -2.335 112.077 114.554 -0.236 0.000 3.009 673 T HA 0.077 4.641 4.350 0.357 0.000 0.267 673 T C 0.335 174.922 174.700 -0.188 0.000 0.942 673 T CA -0.336 61.597 62.100 -0.279 0.000 0.883 673 T CB 0.145 68.664 68.868 -0.581 0.000 1.192 673 T HN 0.080 nan 8.240 nan 0.000 0.524 674 D N 1.740 122.049 120.400 -0.152 0.000 2.323 674 D HA 0.173 5.027 4.640 0.357 0.000 0.239 674 D C 1.572 177.821 176.300 -0.085 0.000 1.129 674 D CA 0.065 54.002 54.000 -0.105 0.000 0.865 674 D CB 0.288 41.033 40.800 -0.092 0.000 0.913 674 D HN 0.266 nan 8.370 nan 0.000 0.517 675 K N 0.276 120.621 120.400 -0.091 0.000 2.021 675 K HA 0.016 4.550 4.320 0.357 0.000 0.205 675 K C 1.159 177.717 176.600 -0.069 0.000 1.047 675 K CA 0.374 56.614 56.287 -0.078 0.000 0.943 675 K CB 0.230 32.680 32.500 -0.083 0.000 0.725 675 K HN 0.079 nan 8.250 nan 0.000 0.439 676 R N 2.160 122.613 120.500 -0.078 0.000 2.229 676 R HA 0.196 4.751 4.340 0.357 0.000 0.328 676 R C -2.422 173.835 176.300 -0.070 0.000 1.009 676 R CA -1.849 54.210 56.100 -0.069 0.000 0.864 676 R CB 0.792 31.048 30.300 -0.073 0.000 1.085 676 R HN -0.097 nan 8.270 nan 0.000 0.453 677 P HA -0.069 nan 4.420 nan 0.000 0.266 677 P C -0.883 176.407 177.300 -0.017 0.000 1.195 677 P CA -0.308 62.779 63.100 -0.022 0.000 0.768 677 P CB 0.453 32.148 31.700 -0.009 0.000 0.838 678 L N 4.618 125.844 121.223 0.004 0.000 2.290 678 L HA 0.273 4.827 4.340 0.357 0.000 0.284 678 L C -0.730 176.160 176.870 0.033 0.000 1.078 678 L CA -0.079 54.782 54.840 0.034 0.000 0.815 678 L CB 0.813 42.913 42.059 0.069 0.000 1.162 678 L HN 0.074 nan 8.230 nan 0.000 0.435 679 V N 4.429 124.370 119.914 0.046 0.000 2.513 679 V HA 0.864 5.199 4.120 0.357 0.000 0.299 679 V C -0.112 175.975 176.094 -0.012 0.000 1.035 679 V CA -0.239 62.068 62.300 0.012 0.000 0.889 679 V CB 1.485 33.316 31.823 0.014 0.000 0.988 679 V HN 0.953 nan 8.190 nan 0.000 0.440 680 S N 2.141 117.814 115.700 -0.045 0.000 2.656 680 S HA 0.708 5.392 4.470 0.357 0.000 0.273 680 S C -0.760 173.783 174.600 -0.095 0.000 1.168 680 S CA -0.635 57.518 58.200 -0.078 0.000 0.817 680 S CB 1.904 65.040 63.200 -0.107 0.000 1.146 680 S HN 0.902 nan 8.310 nan 0.000 0.475 681 S N -0.002 115.619 115.700 -0.133 0.000 2.498 681 S HA 0.513 5.197 4.470 0.357 0.000 0.317 681 S C 1.002 175.464 174.600 -0.231 0.000 1.090 681 S CA -1.011 57.102 58.200 -0.145 0.000 1.089 681 S CB -0.106 62.985 63.200 -0.182 0.000 0.997 681 S HN 0.646 nan 8.310 nan 0.000 0.470 682 I N 4.218 124.640 120.570 -0.246 0.000 2.151 682 I HA -0.239 4.145 4.170 0.357 0.000 0.243 682 I C 2.604 178.402 176.117 -0.531 0.000 1.080 682 I CA 1.730 62.711 61.300 -0.532 0.000 1.339 682 I CB -0.577 37.075 38.000 -0.580 0.000 1.039 682 I HN 0.848 nan 8.210 nan 0.000 0.409 683 H N 1.689 120.575 119.070 -0.306 0.000 2.457 683 H HA -0.152 4.618 4.556 0.358 0.000 0.294 683 H C 1.801 177.103 175.328 -0.045 0.000 1.064 683 H CA 1.629 57.598 56.048 -0.132 0.000 1.330 683 H CB -0.586 29.136 29.762 -0.066 0.000 1.395 683 H HN 0.646 nan 8.280 nan 0.000 0.541 684 E N 1.206 121.032 120.200 -0.625 0.000 2.076 684 E HA -0.125 4.440 4.350 0.357 0.000 0.190 684 E C 1.827 178.338 176.600 -0.148 0.000 0.979 684 E CA 0.698 56.853 56.400 -0.408 0.000 0.807 684 E CB -0.145 29.302 29.700 -0.421 0.000 0.761 684 E HN 0.567 nan 8.360 nan 0.000 0.454 685 E N -0.103 120.014 120.200 -0.139 0.000 2.047 685 E HA -0.105 4.459 4.350 0.357 0.000 0.191 685 E C 1.807 178.508 176.600 0.167 0.000 0.987 685 E CA 0.810 57.196 56.400 -0.024 0.000 0.799 685 E CB -0.119 29.536 29.700 -0.076 0.000 0.752 685 E HN 0.231 nan 8.360 nan 0.000 0.449 686 F N 1.023 120.956 119.950 -0.028 0.000 2.161 686 F HA -0.188 4.553 4.527 0.357 0.000 0.300 686 F C 2.140 177.977 175.800 0.061 0.000 1.089 686 F CA 0.998 59.007 58.000 0.014 0.000 1.282 686 F CB -0.779 38.232 39.000 0.018 0.000 1.010 686 F HN 0.049 nan 8.300 nan 0.000 0.485 687 L N -0.749 120.618 121.223 0.240 0.000 2.027 687 L HA -0.204 4.351 4.340 0.357 0.000 0.206 687 L C 2.671 179.656 176.870 0.192 0.000 1.074 687 L CA 1.237 56.191 54.840 0.189 0.000 0.745 687 L CB -0.689 41.442 42.059 0.120 0.000 0.898 687 L HN 0.124 nan 8.230 nan 0.000 0.433 688 Q N 0.455 120.331 119.800 0.127 0.000 2.061 688 Q HA -0.246 4.308 4.340 0.357 0.000 0.204 688 Q C 2.187 178.250 176.000 0.106 0.000 0.984 688 Q CA 2.027 57.886 55.803 0.093 0.000 0.846 688 Q CB -0.195 28.565 28.738 0.036 0.000 0.902 688 Q HN 0.494 nan 8.270 nan 0.000 0.421 689 M N -0.866 118.806 119.600 0.120 0.000 2.159 689 M HA -0.193 4.501 4.480 0.357 0.000 0.263 689 M C 2.080 178.446 176.300 0.110 0.000 1.063 689 M CA 1.587 56.946 55.300 0.098 0.000 1.110 689 M CB -0.544 32.113 32.600 0.095 0.000 1.374 689 M HN 0.205 nan 8.290 nan 0.000 0.411 690 Y N 1.647 121.983 120.300 0.060 0.000 2.114 690 Y HA -0.267 4.498 4.550 0.358 0.000 0.284 690 Y C 1.888 177.882 175.900 0.156 0.000 1.143 690 Y CA 1.903 60.044 58.100 0.068 0.000 1.135 690 Y CB -0.453 38.020 38.460 0.021 0.000 0.980 690 Y HN 0.200 nan 8.280 nan 0.000 0.499 691 D N 0.245 120.676 120.400 0.051 0.000 2.149 691 D HA -0.206 4.649 4.640 0.357 0.000 0.198 691 D C 2.061 178.447 176.300 0.143 0.000 0.990 691 D CA 1.753 55.814 54.000 0.100 0.000 0.839 691 D CB -0.310 40.612 40.800 0.204 0.000 0.948 691 D HN 0.618 nan 8.370 nan 0.000 0.460 692 E N 0.060 120.310 120.200 0.083 0.000 2.047 692 E HA -0.098 4.467 4.350 0.357 0.000 0.191 692 E C 2.033 178.653 176.600 0.035 0.000 0.987 692 E CA 0.899 57.338 56.400 0.065 0.000 0.799 692 E CB 0.013 29.733 29.700 0.034 0.000 0.752 692 E HN 0.180 nan 8.360 nan 0.000 0.449 693 A N 0.442 123.261 122.820 -0.003 0.000 1.908 693 A HA -0.206 4.328 4.320 0.357 0.000 0.218 693 A C 1.879 179.434 177.584 -0.048 0.000 1.181 693 A CA 1.463 53.481 52.037 -0.032 0.000 0.627 693 A CB -1.123 17.857 19.000 -0.033 0.000 0.818 693 A HN 0.674 nan 8.150 nan 0.000 0.445 694 W N 0.629 121.761 121.300 -0.279 0.000 2.388 694 W HA -0.112 4.763 4.660 0.357 0.000 0.294 694 W C 2.136 178.621 176.519 -0.057 0.000 1.212 694 W CA 1.892 59.111 57.345 -0.210 0.000 1.271 694 W CB 0.049 29.303 29.460 -0.343 0.000 1.126 694 W HN 0.277 nan 8.180 nan 0.000 0.535 695 K N 0.031 120.489 120.400 0.097 0.000 2.031 695 K HA -0.132 4.403 4.320 0.357 0.000 0.205 695 K C 2.066 178.570 176.600 -0.159 0.000 1.049 695 K CA 1.684 57.938 56.287 -0.055 0.000 0.939 695 K CB -0.491 32.093 32.500 0.139 0.000 0.717 695 K HN 0.205 nan 8.250 nan 0.000 0.438 696 L N 0.707 121.873 121.223 -0.094 0.000 2.012 696 L HA -0.175 4.379 4.340 0.357 0.000 0.210 696 L C 2.611 179.365 176.870 -0.195 0.000 1.073 696 L CA 1.425 56.206 54.840 -0.098 0.000 0.748 696 L CB -0.621 41.409 42.059 -0.049 0.000 0.891 696 L HN 0.273 nan 8.230 nan 0.000 0.431 697 A N -0.181 122.477 122.820 -0.270 0.000 1.948 697 A HA -0.274 4.260 4.320 0.357 0.000 0.220 697 A C 2.483 179.755 177.584 -0.519 0.000 1.177 697 A CA 2.097 53.856 52.037 -0.464 0.000 0.636 697 A CB -0.610 18.089 19.000 -0.500 0.000 0.815 697 A HN 0.381 nan 8.150 nan 0.000 0.449 698 R N -0.770 119.483 120.500 -0.412 0.000 2.062 698 R HA -0.104 4.450 4.340 0.357 0.000 0.226 698 R C 1.266 177.444 176.300 -0.203 0.000 1.125 698 R CA 1.467 57.382 56.100 -0.308 0.000 0.966 698 R CB -0.287 29.692 30.300 -0.535 0.000 0.861 698 R HN 0.399 nan 8.270 nan 0.000 0.433 699 D N 0.414 120.694 120.400 -0.200 0.000 2.219 699 D HA -0.097 4.757 4.640 0.357 0.000 0.205 699 D C 0.862 177.079 176.300 -0.138 0.000 0.970 699 D CA 0.934 54.849 54.000 -0.141 0.000 0.851 699 D CB -0.080 40.661 40.800 -0.098 0.000 0.943 699 D HN 0.259 nan 8.370 nan 0.000 0.488 700 N N -0.635 117.977 118.700 -0.147 0.000 2.254 700 N HA -0.067 4.887 4.740 0.357 0.000 0.190 700 N C 0.138 175.545 175.510 -0.171 0.000 1.107 700 N CA -0.244 52.710 53.050 -0.160 0.000 0.869 700 N CB 0.105 38.512 38.487 -0.135 0.000 0.983 700 N HN 0.177 nan 8.380 nan 0.000 0.487 701 Y N 2.963 123.102 120.300 -0.268 0.000 2.811 701 Y HA -0.155 4.609 4.550 0.357 0.000 0.334 701 Y C 1.756 177.530 175.900 -0.210 0.000 1.247 701 Y CA -0.607 57.361 58.100 -0.221 0.000 1.526 701 Y CB 0.411 38.755 38.460 -0.193 0.000 1.284 701 Y HN 0.201 nan 8.280 nan 0.000 0.586 702 W N 4.964 125.717 121.300 -0.912 0.000 2.325 702 W HA -0.240 4.634 4.660 0.356 0.000 0.299 702 W C -0.512 175.709 176.519 -0.497 0.000 1.215 702 W CA 1.249 58.187 57.345 -0.678 0.000 1.244 702 W CB -0.672 28.403 29.460 -0.642 0.000 1.140 702 W HN 0.623 nan 8.180 nan 0.000 0.523 703 N N 1.691 119.320 118.700 -1.785 0.000 2.501 703 N HA 0.018 4.972 4.740 0.357 0.000 0.245 703 N C 0.932 176.140 175.510 -0.504 0.000 0.974 703 N CA -0.075 52.183 53.050 -1.320 0.000 0.941 703 N CB 1.124 38.533 38.487 -1.796 0.000 1.122 703 N HN 0.052 nan 8.380 nan 0.000 0.507 704 E N 3.401 123.382 120.200 -0.365 0.000 2.085 704 E HA -0.247 4.317 4.350 0.357 0.000 0.194 704 E C 1.644 178.150 176.600 -0.156 0.000 0.994 704 E CA 1.439 57.716 56.400 -0.206 0.000 0.801 704 E CB 0.044 29.632 29.700 -0.186 0.000 0.743 704 E HN 0.785 nan 8.360 nan 0.000 0.453 705 A N 0.555 123.264 122.820 -0.186 0.000 1.841 705 A HA -0.198 4.336 4.320 0.357 0.000 0.216 705 A C 2.431 179.949 177.584 -0.110 0.000 1.199 705 A CA 1.867 53.822 52.037 -0.136 0.000 0.621 705 A CB -1.023 17.892 19.000 -0.142 0.000 0.835 705 A HN 0.226 nan 8.150 nan 0.000 0.445 706 V N 0.006 119.849 119.914 -0.119 0.000 2.453 706 V HA -0.294 4.040 4.120 0.357 0.000 0.252 706 V C 2.980 179.002 176.094 -0.120 0.000 1.068 706 V CA 2.020 64.265 62.300 -0.091 0.000 1.070 706 V CB -1.391 30.424 31.823 -0.014 0.000 0.664 706 V HN 0.664 nan 8.190 nan 0.000 0.461 707 A N -0.109 122.684 122.820 -0.045 0.000 1.858 707 A HA -0.266 4.268 4.320 0.357 0.000 0.216 707 A C 2.348 179.883 177.584 -0.083 0.000 1.190 707 A CA 2.125 54.148 52.037 -0.023 0.000 0.617 707 A CB -0.524 18.496 19.000 0.034 0.000 0.827 707 A HN 0.514 nan 8.150 nan 0.000 0.443 708 K N -0.694 119.661 120.400 -0.074 0.000 2.113 708 K HA -0.219 4.316 4.320 0.357 0.000 0.208 708 K C 2.110 178.687 176.600 -0.038 0.000 1.047 708 K CA 1.707 57.962 56.287 -0.053 0.000 0.928 708 K CB -0.070 32.401 32.500 -0.048 0.000 0.716 708 K HN 0.517 nan 8.250 nan 0.000 0.446 709 E N 0.818 120.981 120.200 -0.062 0.000 2.033 709 E HA -0.107 4.457 4.350 0.357 0.000 0.189 709 E C 2.073 178.630 176.600 -0.072 0.000 0.979 709 E CA 0.968 57.337 56.400 -0.051 0.000 0.802 709 E CB -0.094 29.571 29.700 -0.057 0.000 0.763 709 E HN 0.348 nan 8.360 nan 0.000 0.449 710 I N 1.621 122.080 120.570 -0.185 0.000 2.163 710 I HA -0.320 4.065 4.170 0.357 0.000 0.243 710 I C 2.740 178.745 176.117 -0.188 0.000 1.085 710 I CA 1.459 62.575 61.300 -0.308 0.000 1.347 710 I CB -0.576 36.966 38.000 -0.764 0.000 1.044 710 I HN 0.132 nan 8.210 nan 0.000 0.408 711 S N 1.082 116.687 115.700 -0.157 0.000 2.365 711 S HA -0.284 4.401 4.470 0.357 0.000 0.221 711 S C 1.801 176.660 174.600 0.431 0.000 1.037 711 S CA 1.595 59.823 58.200 0.047 0.000 1.060 711 S CB -0.946 62.121 63.200 -0.223 0.000 0.974 711 S HN 0.480 nan 8.310 nan 0.000 0.427 712 E N 0.859 121.238 120.200 0.297 0.000 2.273 712 E HA -0.148 4.417 4.350 0.357 0.000 0.198 712 E C 2.261 179.001 176.600 0.234 0.000 1.002 712 E CA 0.933 57.506 56.400 0.288 0.000 0.828 712 E CB -0.174 29.617 29.700 0.151 0.000 0.747 712 E HN 0.565 nan 8.360 nan 0.000 0.491 713 R N 0.948 121.558 120.500 0.184 0.000 2.290 713 R HA 0.036 4.590 4.340 0.357 0.000 0.197 713 R C 1.980 178.399 176.300 0.199 0.000 0.913 713 R CA 0.354 56.541 56.100 0.145 0.000 1.040 713 R CB 0.239 30.584 30.300 0.075 0.000 0.992 713 R HN 0.283 nan 8.270 nan 0.000 0.500 714 I N -3.494 117.261 120.570 0.309 0.000 4.181 714 I HA 0.137 4.521 4.170 0.357 0.000 0.331 714 I C 1.595 178.028 176.117 0.527 0.000 1.312 714 I CA -0.403 61.144 61.300 0.411 0.000 1.146 714 I CB -0.298 37.949 38.000 0.411 0.000 1.074 714 I HN -0.093 nan 8.210 nan 0.000 0.402 715 Y N 2.883 123.437 120.300 0.424 0.000 1.974 715 Y HA -0.363 4.401 4.550 0.357 0.000 0.255 715 Y C 2.731 178.706 175.900 0.126 0.000 1.125 715 Y CA 2.702 60.895 58.100 0.155 0.000 1.085 715 Y CB -0.353 37.957 38.460 -0.250 0.000 0.957 715 Y HN 0.288 nan 8.280 nan 0.000 0.484 716 E N 0.590 120.870 120.200 0.133 0.000 2.086 716 E HA -0.384 4.180 4.350 0.357 0.000 0.200 716 E C 2.359 178.917 176.600 -0.071 0.000 1.012 716 E CA 2.077 58.475 56.400 -0.003 0.000 0.812 716 E CB -0.421 29.349 29.700 0.117 0.000 0.743 716 E HN 0.553 nan 8.360 nan 0.000 0.453 717 K N -0.570 119.816 120.400 -0.023 0.000 2.059 717 K HA -0.230 4.304 4.320 0.357 0.000 0.212 717 K C 1.867 178.355 176.600 -0.187 0.000 1.050 717 K CA 2.089 58.290 56.287 -0.144 0.000 0.927 717 K CB -0.303 32.046 32.500 -0.253 0.000 0.714 717 K HN 0.267 nan 8.250 nan 0.000 0.447 718 Y N -0.298 120.026 120.300 0.041 0.000 2.510 718 Y HA 0.120 4.885 4.550 0.358 0.000 0.273 718 Y C 2.375 178.001 175.900 -0.456 0.000 1.119 718 Y CA 0.329 58.416 58.100 -0.023 0.000 1.286 718 Y CB 0.182 38.731 38.460 0.150 0.000 1.061 718 Y HN 0.054 nan 8.280 nan 0.000 0.542 719 R N 0.750 120.947 120.500 -0.505 0.000 2.115 719 R HA -0.127 4.427 4.340 0.357 0.000 0.230 719 R C 1.105 177.161 176.300 -0.406 0.000 1.111 719 R CA 1.256 56.874 56.100 -0.803 0.000 0.976 719 R CB -0.060 29.816 30.300 -0.707 0.000 0.870 719 R HN 0.301 nan 8.270 nan 0.000 0.445 720 N N 0.698 119.262 118.700 -0.228 0.000 2.573 720 N HA -0.106 4.848 4.740 0.357 0.000 0.187 720 N C 1.394 176.833 175.510 -0.117 0.000 1.107 720 N CA 0.756 53.731 53.050 -0.124 0.000 0.918 720 N CB 0.087 38.542 38.487 -0.053 0.000 0.966 720 N HN 0.348 nan 8.380 nan 0.000 0.448 721 L N -0.410 120.720 121.223 -0.154 0.000 2.416 721 L HA 0.088 4.642 4.340 0.357 0.000 0.216 721 L C 1.947 178.746 176.870 -0.119 0.000 1.098 721 L CA 0.101 54.861 54.840 -0.133 0.000 0.840 721 L CB -0.058 41.925 42.059 -0.127 0.000 0.981 721 L HN -0.118 nan 8.230 nan 0.000 0.462 722 V N 1.254 121.063 119.914 -0.174 0.000 2.252 722 V HA -0.200 4.134 4.120 0.357 0.000 0.249 722 V C -0.168 175.940 176.094 0.023 0.000 1.056 722 V CA 2.202 64.440 62.300 -0.103 0.000 1.022 722 V CB -1.845 29.882 31.823 -0.160 0.000 0.641 722 V HN 0.385 nan 8.190 nan 0.000 0.445 723 P HA -0.122 nan 4.420 nan 0.000 0.226 723 P C 1.479 178.796 177.300 0.027 0.000 1.146 723 P CA 1.343 64.465 63.100 0.035 0.000 0.773 723 P CB -0.078 31.623 31.700 0.002 0.000 0.772 724 L N -1.558 119.668 121.223 0.006 0.000 2.529 724 L HA 0.100 4.654 4.340 0.357 0.000 0.223 724 L C 1.120 178.014 176.870 0.040 0.000 1.113 724 L CA -0.031 54.807 54.840 -0.002 0.000 0.861 724 L CB -0.456 41.578 42.059 -0.043 0.000 1.012 724 L HN -0.092 nan 8.230 nan 0.000 0.461 725 C N 0.776 120.129 119.300 0.088 0.000 2.527 725 C HA 0.202 4.877 4.460 0.357 0.000 0.396 725 C C 1.441 176.628 174.990 0.328 0.000 1.289 725 C CA -0.410 58.705 59.018 0.162 0.000 2.047 725 C CB 0.888 28.668 27.740 0.067 0.000 2.568 725 C HN 0.301 nan 8.230 nan 0.000 0.573 726 K N 0.271 120.856 120.400 0.308 0.000 2.474 726 K HA 0.135 4.670 4.320 0.357 0.000 0.204 726 K C 0.834 177.635 176.600 0.334 0.000 1.220 726 K CA 0.408 56.851 56.287 0.260 0.000 0.966 726 K CB 0.388 32.975 32.500 0.145 0.000 1.049 726 K HN 0.884 nan 8.250 nan 0.000 0.554 727 T N -2.769 112.020 114.554 0.392 0.000 2.916 727 T HA 0.404 4.968 4.350 0.357 0.000 0.292 727 T C 0.770 175.654 174.700 0.308 0.000 1.055 727 T CA -0.839 61.475 62.100 0.356 0.000 1.009 727 T CB 2.191 71.217 68.868 0.263 0.000 1.118 727 T HN -0.152 nan 8.240 nan 0.000 0.497 728 R N 0.097 120.722 120.500 0.208 0.000 2.139 728 R HA -0.110 4.445 4.340 0.357 0.000 0.243 728 R C 1.715 177.939 176.300 -0.126 0.000 1.145 728 R CA 1.629 57.624 56.100 -0.176 0.000 0.976 728 R CB -1.446 28.536 30.300 -0.530 0.000 0.866 728 R HN 0.799 nan 8.270 nan 0.000 0.449 729 Y N 0.800 121.163 120.300 0.106 0.000 2.293 729 Y HA -0.113 4.651 4.550 0.357 0.000 0.291 729 Y C 1.401 177.378 175.900 0.129 0.000 1.137 729 Y CA 1.819 60.102 58.100 0.305 0.000 1.202 729 Y CB -0.106 38.531 38.460 0.295 0.000 0.990 729 Y HN 0.142 nan 8.280 nan 0.000 0.537 730 D N 0.126 120.536 120.400 0.016 0.000 2.097 730 D HA -0.212 4.643 4.640 0.357 0.000 0.195 730 D C 2.406 178.587 176.300 -0.199 0.000 0.989 730 D CA 1.219 55.167 54.000 -0.086 0.000 0.827 730 D CB -0.533 40.279 40.800 0.021 0.000 0.966 730 D HN 0.374 nan 8.370 nan 0.000 0.456 731 L N 0.531 121.547 121.223 -0.346 0.000 2.046 731 L HA -0.201 4.353 4.340 0.357 0.000 0.208 731 L C 2.470 179.225 176.870 -0.193 0.000 1.077 731 L CA 1.042 55.628 54.840 -0.423 0.000 0.747 731 L CB -0.248 41.312 42.059 -0.831 0.000 0.896 731 L HN 0.014 nan 8.230 nan 0.000 0.432 732 S N 0.175 115.804 115.700 -0.119 0.000 2.359 732 S HA -0.256 4.429 4.470 0.357 0.000 0.223 732 S C 1.589 176.144 174.600 -0.075 0.000 1.039 732 S CA 2.203 60.403 58.200 0.000 0.000 1.042 732 S CB -0.268 63.042 63.200 0.184 0.000 0.915 732 S HN 0.520 nan 8.310 nan 0.000 0.439 733 N N 0.354 118.939 118.700 -0.192 0.000 2.061 733 N HA -0.112 4.842 4.740 0.357 0.000 0.193 733 N C 1.659 177.151 175.510 -0.029 0.000 1.030 733 N CA 1.696 54.663 53.050 -0.138 0.000 0.856 733 N CB -0.470 37.904 38.487 -0.188 0.000 1.023 733 N HN 0.254 nan 8.380 nan 0.000 0.424 734 V N 0.962 120.864 119.914 -0.021 0.000 2.261 734 V HA -0.193 4.141 4.120 0.357 0.000 0.246 734 V C 2.099 178.232 176.094 0.066 0.000 1.047 734 V CA 1.452 63.795 62.300 0.072 0.000 1.015 734 V CB -0.552 31.288 31.823 0.029 0.000 0.642 734 V HN 0.298 nan 8.190 nan 0.000 0.446 735 I N -0.176 120.436 120.570 0.070 0.000 2.163 735 I HA -0.246 4.139 4.170 0.357 0.000 0.243 735 I C 2.426 178.548 176.117 0.010 0.000 1.085 735 I CA 1.467 62.817 61.300 0.083 0.000 1.347 735 I CB -0.469 37.576 38.000 0.075 0.000 1.044 735 I HN 0.152 nan 8.210 nan 0.000 0.408 736 V N 0.558 120.481 119.914 0.014 0.000 2.287 736 V HA -0.264 4.070 4.120 0.357 0.000 0.248 736 V C 2.488 178.576 176.094 -0.010 0.000 1.053 736 V CA 1.795 64.115 62.300 0.033 0.000 1.027 736 V CB -0.664 31.197 31.823 0.063 0.000 0.646 736 V HN 0.415 nan 8.190 nan 0.000 0.447 737 E N 0.096 120.259 120.200 -0.061 0.000 2.160 737 E HA -0.265 4.299 4.350 0.357 0.000 0.195 737 E C 2.146 178.472 176.600 -0.455 0.000 0.991 737 E CA 1.939 58.255 56.400 -0.139 0.000 0.810 737 E CB -0.323 29.408 29.700 0.053 0.000 0.742 737 E HN 0.778 nan 8.360 nan 0.000 0.466 738 M N -0.088 119.137 119.600 -0.626 0.000 2.349 738 M HA -0.042 4.652 4.480 0.357 0.000 0.266 738 M C 1.710 177.934 176.300 -0.126 0.000 1.076 738 M CA 1.433 56.343 55.300 -0.650 0.000 1.126 738 M CB -0.083 32.287 32.600 -0.384 0.000 1.392 738 M HN -0.140 nan 8.290 nan 0.000 0.440 739 Q N 0.639 120.415 119.800 -0.040 0.000 2.172 739 Q HA 0.065 4.619 4.340 0.357 0.000 0.200 739 Q C 2.165 178.235 176.000 0.116 0.000 0.964 739 Q CA 1.256 57.100 55.803 0.067 0.000 0.855 739 Q CB -0.580 28.175 28.738 0.027 0.000 0.918 739 Q HN 0.783 nan 8.270 nan 0.000 0.444 740 G N 1.297 110.121 108.800 0.040 0.000 2.470 740 G HA2 -0.224 3.951 3.960 0.357 0.000 0.220 740 G HA3 -0.224 3.951 3.960 0.357 0.000 0.220 740 G C 1.168 176.086 174.900 0.031 0.000 1.121 740 G CA 0.323 45.446 45.100 0.039 0.000 0.766 740 G HN 0.182 nan 8.290 nan 0.000 0.553 741 E N -0.046 120.154 120.200 -0.001 0.000 2.463 741 E HA -0.075 4.490 4.350 0.357 0.000 0.201 741 E C 1.115 177.609 176.600 -0.176 0.000 1.045 741 E CA 0.439 56.810 56.400 -0.048 0.000 0.872 741 E CB -0.150 29.522 29.700 -0.048 0.000 0.797 741 E HN 0.673 nan 8.360 nan 0.000 0.538 742 Y N 0.275 120.506 120.300 -0.114 0.000 2.466 742 Y HA 0.151 4.916 4.550 0.358 0.000 0.272 742 Y C 0.562 176.406 175.900 -0.093 0.000 1.169 742 Y CA -0.096 57.867 58.100 -0.228 0.000 1.285 742 Y CB 0.141 38.380 38.460 -0.369 0.000 1.078 742 Y HN -0.121 nan 8.280 nan 0.000 0.523 743 R N 0.526 121.102 120.500 0.126 0.000 3.387 743 R HA -0.172 4.382 4.340 0.357 0.000 0.254 743 R C -0.639 175.796 176.300 0.226 0.000 1.006 743 R CA 1.007 57.271 56.100 0.273 0.000 0.677 743 R CB -2.451 28.002 30.300 0.255 0.000 1.063 743 R HN 0.130 nan 8.270 nan 0.000 0.453 744 T N -1.401 113.050 114.554 -0.172 0.000 2.887 744 T HA 0.472 5.036 4.350 0.357 0.000 0.292 744 T C 0.167 174.092 174.700 -1.292 0.000 1.087 744 T CA -0.455 61.389 62.100 -0.426 0.000 1.009 744 T CB 1.912 70.829 68.868 0.082 0.000 1.203 744 T HN 0.215 nan 8.240 nan 0.000 0.518 745 S N -0.194 114.697 115.700 -1.348 0.000 2.645 745 S HA 0.404 5.088 4.470 0.357 0.000 0.266 745 S C 0.017 174.365 174.600 -0.419 0.000 1.258 745 S CA -0.201 57.219 58.200 -1.301 0.000 0.990 745 S CB -0.121 62.428 63.200 -1.085 0.000 0.967 745 S HN 0.971 nan 8.310 nan 0.000 0.556 746 H N -1.570 117.221 119.070 -0.465 0.000 3.080 746 H HA -0.125 4.645 4.556 0.357 0.000 0.254 746 H C -0.309 174.449 175.328 -0.950 0.000 1.179 746 H CA 0.889 56.417 56.048 -0.866 0.000 1.144 746 H CB -2.172 27.352 29.762 -0.396 0.000 1.261 746 H HN 0.484 nan 8.280 nan 0.000 0.333 747 S N 1.160 116.548 115.700 -0.521 0.000 2.955 747 S HA 0.335 5.019 4.470 0.357 0.000 0.294 747 S C -0.083 174.476 174.600 -0.069 0.000 1.198 747 S CA -0.464 57.593 58.200 -0.240 0.000 1.008 747 S CB -0.046 63.099 63.200 -0.091 0.000 1.279 747 S HN 0.296 nan 8.310 nan 0.000 0.508 748 Y N 1.057 121.350 120.300 -0.011 0.000 2.631 748 Y HA 0.582 5.347 4.550 0.357 0.000 0.328 748 Y C 0.643 176.521 175.900 -0.036 0.000 1.118 748 Y CA -1.299 56.767 58.100 -0.058 0.000 1.206 748 Y CB 1.079 39.498 38.460 -0.070 0.000 1.337 748 Y HN 0.289 nan 8.280 nan 0.000 0.515 749 E N 2.145 122.430 120.200 0.141 0.000 2.343 749 E HA 0.356 4.920 4.350 0.357 0.000 0.260 749 E C -1.835 174.798 176.600 0.055 0.000 0.908 749 E CA -0.345 56.110 56.400 0.092 0.000 0.814 749 E CB 1.032 30.785 29.700 0.089 0.000 1.302 749 E HN 0.666 nan 8.360 nan 0.000 0.408 750 M N 2.047 121.688 119.600 0.068 0.000 2.716 750 M HA 0.685 5.380 4.480 0.357 0.000 0.307 750 M C 0.590 176.945 176.300 0.091 0.000 1.223 750 M CA -0.205 55.118 55.300 0.039 0.000 0.871 750 M CB 1.888 34.495 32.600 0.012 0.000 1.739 750 M HN 0.721 nan 8.290 nan 0.000 0.475 751 G N 0.461 109.312 108.800 0.084 0.000 2.598 751 G HA2 0.257 4.431 3.960 0.357 0.000 0.244 751 G HA3 0.257 4.431 3.960 0.357 0.000 0.244 751 G C 0.059 175.116 174.900 0.261 0.000 1.302 751 G CA -0.084 45.095 45.100 0.132 0.000 0.903 751 G HN 1.884 nan 8.290 nan 0.000 0.575 752 G N -3.309 105.643 108.800 0.253 0.000 2.733 752 G HA2 0.401 4.575 3.960 0.357 0.000 0.686 752 G HA3 0.401 4.575 3.960 0.357 0.000 0.686 752 G C -0.246 174.860 174.900 0.344 0.000 1.373 752 G CA 0.503 45.779 45.100 0.293 0.000 0.838 752 G HN 2.015 nan 8.290 nan 0.000 0.588 753 T N 1.518 116.199 114.554 0.213 0.000 2.756 753 T HA 0.576 5.140 4.350 0.357 0.000 0.290 753 T C 0.635 175.371 174.700 0.060 0.000 0.985 753 T CA -0.020 62.216 62.100 0.227 0.000 0.955 753 T CB 0.774 69.812 68.868 0.285 0.000 0.930 753 T HN 0.442 nan 8.240 nan 0.000 0.451 754 F N 1.349 121.368 119.950 0.114 0.000 2.724 754 F HA 0.334 5.075 4.527 0.357 0.000 0.306 754 F C 1.443 177.290 175.800 0.078 0.000 1.100 754 F CA -0.312 57.755 58.000 0.113 0.000 1.255 754 F CB 1.080 40.143 39.000 0.105 0.000 1.072 754 F HN 0.477 nan 8.300 nan 0.000 0.589 755 T N -0.898 113.781 114.554 0.209 0.000 2.827 755 T HA 0.135 4.699 4.350 0.357 0.000 0.328 755 T C -0.973 173.768 174.700 0.068 0.000 1.598 755 T CA -0.557 61.609 62.100 0.111 0.000 1.043 755 T CB 1.220 70.130 68.868 0.070 0.000 1.447 755 T HN 0.133 nan 8.240 nan 0.000 0.491 756 D N 1.058 121.478 120.400 0.033 0.000 2.363 756 D HA 0.153 5.007 4.640 0.357 0.000 0.214 756 D C 0.135 176.423 176.300 -0.020 0.000 1.093 756 D CA -0.177 53.832 54.000 0.015 0.000 0.837 756 D CB 0.273 41.083 40.800 0.016 0.000 0.948 756 D HN 0.228 nan 8.370 nan 0.000 0.507 757 K N 1.529 121.903 120.400 -0.042 0.000 2.298 757 K HA 0.133 4.668 4.320 0.357 0.000 0.280 757 K C 0.012 176.544 176.600 -0.113 0.000 1.032 757 K CA -0.402 55.827 56.287 -0.098 0.000 0.958 757 K CB 1.019 33.432 32.500 -0.145 0.000 0.978 757 K HN 0.134 nan 8.250 nan 0.000 0.472 758 D N 3.995 124.316 120.400 -0.131 0.000 2.372 758 D HA 0.117 4.971 4.640 0.357 0.000 0.243 758 D C -1.946 174.243 176.300 -0.185 0.000 1.121 758 D CA -1.105 52.823 54.000 -0.120 0.000 0.898 758 D CB 0.585 41.330 40.800 -0.091 0.000 1.202 758 D HN 0.246 nan 8.370 nan 0.000 0.428 759 P HA -0.008 nan 4.420 nan 0.000 0.268 759 P C -0.193 177.041 177.300 -0.110 0.000 1.208 759 P CA -0.129 62.909 63.100 -0.103 0.000 0.777 759 P CB 0.413 32.102 31.700 -0.017 0.000 0.875 760 F N 1.530 121.479 119.950 -0.002 0.000 2.506 760 F HA 0.152 4.893 4.527 0.357 0.000 0.351 760 F C 1.781 177.588 175.800 0.012 0.000 1.136 760 F CA 0.578 58.578 58.000 -0.000 0.000 1.298 760 F CB 0.343 39.334 39.000 -0.016 0.000 1.145 760 F HN 0.057 nan 8.300 nan 0.000 0.593 761 R N 1.232 121.889 120.500 0.261 0.000 2.604 761 R HA 0.540 5.094 4.340 0.357 0.000 0.287 761 R C -0.848 175.557 176.300 0.174 0.000 0.970 761 R CA -0.774 55.426 56.100 0.168 0.000 0.946 761 R CB 1.858 32.235 30.300 0.128 0.000 1.127 761 R HN 0.545 nan 8.270 nan 0.000 0.473 762 S N 0.300 116.078 115.700 0.131 0.000 2.733 762 S HA 0.414 5.099 4.470 0.357 0.000 0.294 762 S C -0.489 174.175 174.600 0.106 0.000 1.149 762 S CA -0.603 57.678 58.200 0.134 0.000 1.034 762 S CB 1.292 64.564 63.200 0.119 0.000 1.015 762 S HN 0.774 nan 8.310 nan 0.000 0.486 763 G N 3.935 112.800 108.800 0.108 0.000 2.360 763 G HA2 0.524 4.699 3.960 0.357 0.000 0.279 763 G HA3 0.524 4.699 3.960 0.357 0.000 0.279 763 G C -0.440 174.518 174.900 0.096 0.000 1.189 763 G CA -0.359 44.787 45.100 0.078 0.000 0.941 763 G HN 0.669 nan 8.290 nan 0.000 0.445 764 R N 1.181 121.722 120.500 0.070 0.000 2.686 764 R HA 0.497 5.051 4.340 0.357 0.000 0.286 764 R C 0.467 176.798 176.300 0.052 0.000 0.969 764 R CA -0.740 55.396 56.100 0.059 0.000 0.898 764 R CB 2.040 32.350 30.300 0.016 0.000 1.183 764 R HN 0.609 nan 8.270 nan 0.000 0.456 765 I N -0.953 119.651 120.570 0.057 0.000 3.426 765 I HA 0.496 4.880 4.170 0.357 0.000 0.329 765 I C -0.025 176.118 176.117 0.042 0.000 1.553 765 I CA -0.557 60.780 61.300 0.062 0.000 1.019 765 I CB 1.422 39.477 38.000 0.092 0.000 1.376 765 I HN 0.655 nan 8.210 nan 0.000 0.525 766 A N 0.341 123.158 122.820 -0.004 0.000 2.466 766 A HA -0.176 4.358 4.320 0.357 0.000 0.295 766 A C 0.079 177.701 177.584 0.063 0.000 1.465 766 A CA 0.933 52.965 52.037 -0.007 0.000 0.744 766 A CB -2.381 16.665 19.000 0.077 0.000 1.098 766 A HN 0.716 nan 8.150 nan 0.000 0.402 767 C N -0.142 119.109 119.300 -0.082 0.000 3.241 767 C HA 0.753 5.427 4.460 0.357 0.000 0.312 767 C C -0.780 173.953 174.990 -0.429 0.000 1.350 767 C CA -0.745 58.185 59.018 -0.147 0.000 1.415 767 C CB 2.276 29.891 27.740 -0.207 0.000 1.770 767 C HN 0.718 nan 8.230 nan 0.000 0.466 768 D N 0.729 120.933 120.400 -0.326 0.000 2.502 768 D HA 0.630 5.485 4.640 0.357 0.000 0.249 768 D C -1.015 175.129 176.300 -0.260 0.000 1.092 768 D CA 0.072 53.900 54.000 -0.287 0.000 0.839 768 D CB 0.931 41.761 40.800 0.050 0.000 1.264 768 D HN 0.298 nan 8.370 nan 0.000 0.511 769 F N 0.883 120.952 119.950 0.199 0.000 2.470 769 F HA 0.511 5.253 4.527 0.357 0.000 0.329 769 F C 0.781 176.773 175.800 0.320 0.000 1.072 769 F CA -0.955 57.174 58.000 0.215 0.000 0.989 769 F CB 1.965 41.008 39.000 0.071 0.000 1.193 769 F HN -0.161 nan 8.300 nan 0.000 0.481 770 K N 2.350 123.064 120.400 0.524 0.000 2.513 770 K HA 0.323 4.857 4.320 0.357 0.000 0.251 770 K C -1.770 174.986 176.600 0.260 0.000 0.939 770 K CA -0.819 55.688 56.287 0.366 0.000 0.793 770 K CB 1.848 34.493 32.500 0.243 0.000 1.241 770 K HN 0.527 nan 8.250 nan 0.000 0.431 771 L N 4.453 125.755 121.223 0.131 0.000 2.369 771 L HA 0.233 4.788 4.340 0.357 0.000 0.279 771 L C -0.733 176.114 176.870 -0.038 0.000 1.108 771 L CA 0.915 55.681 54.840 -0.123 0.000 0.852 771 L CB 0.577 42.523 42.059 -0.190 0.000 1.169 771 L HN 0.783 nan 8.230 nan 0.000 0.452 772 D N 4.472 124.849 120.400 -0.038 0.000 2.375 772 D HA 0.439 5.293 4.640 0.357 0.000 0.259 772 D C 0.554 176.853 176.300 -0.001 0.000 1.235 772 D CA 0.608 54.612 54.000 0.006 0.000 0.924 772 D CB 1.064 41.890 40.800 0.044 0.000 1.143 772 D HN 0.822 nan 8.370 nan 0.000 0.529 773 G N 4.707 113.492 108.800 -0.024 0.000 2.972 773 G HA2 -0.257 3.918 3.960 0.357 0.000 0.265 773 G HA3 -0.257 3.918 3.960 0.357 0.000 0.265 773 G C 0.320 175.176 174.900 -0.073 0.000 1.506 773 G CA 0.451 45.539 45.100 -0.019 0.000 1.016 773 G HN 0.572 nan 8.290 nan 0.000 0.563 774 D N 0.179 120.533 120.400 -0.078 0.000 2.582 774 D HA 0.242 5.096 4.640 0.357 0.000 0.246 774 D C 0.045 176.062 176.300 -0.472 0.000 1.334 774 D CA 0.033 53.890 54.000 -0.238 0.000 0.805 774 D CB -0.015 40.655 40.800 -0.218 0.000 1.087 774 D HN 0.643 nan 8.370 nan 0.000 0.499 775 H N -0.254 118.735 119.070 -0.136 0.000 2.895 775 H HA 0.274 5.044 4.556 0.357 0.000 0.373 775 H C -1.157 174.094 175.328 -0.129 0.000 1.174 775 H CA -0.521 55.468 56.048 -0.099 0.000 1.144 775 H CB 1.689 31.431 29.762 -0.034 0.000 1.793 775 H HN -0.060 nan 8.280 nan 0.000 0.551 776 Y N 0.552 120.885 120.300 0.055 0.000 2.308 776 Y HA 0.268 5.033 4.550 0.357 0.000 0.329 776 Y C 0.320 176.267 175.900 0.077 0.000 1.111 776 Y CA -0.330 57.781 58.100 0.018 0.000 1.179 776 Y CB 1.697 40.062 38.460 -0.157 0.000 1.201 776 Y HN 0.211 nan 8.280 nan 0.000 0.483 777 V N 4.727 124.821 119.914 0.301 0.000 2.581 777 V HA 0.398 4.733 4.120 0.357 0.000 0.303 777 V C -0.794 175.488 176.094 0.314 0.000 1.041 777 V CA -0.895 61.551 62.300 0.244 0.000 0.907 777 V CB 1.799 33.721 31.823 0.165 0.000 0.994 777 V HN 0.521 nan 8.190 nan 0.000 0.442 778 V N 8.005 128.086 119.914 0.278 0.000 2.359 778 V HA 0.141 4.475 4.120 0.357 0.000 0.248 778 V C 1.472 177.667 176.094 0.168 0.000 1.091 778 V CA 0.871 63.327 62.300 0.261 0.000 1.103 778 V CB -0.090 31.847 31.823 0.190 0.000 1.176 778 V HN 1.108 nan 8.190 nan 0.000 0.488 779 A N 4.787 127.704 122.820 0.161 0.000 1.969 779 A HA -0.006 4.528 4.320 0.357 0.000 0.218 779 A C 1.149 178.761 177.584 0.046 0.000 1.169 779 A CA 1.181 53.284 52.037 0.111 0.000 0.635 779 A CB 0.095 19.173 19.000 0.131 0.000 0.810 779 A HN 0.653 nan 8.150 nan 0.000 0.445 780 K N -2.048 118.359 120.400 0.012 0.000 2.542 780 K HA 0.573 5.108 4.320 0.357 0.000 0.259 780 K C -1.916 174.647 176.600 -0.061 0.000 0.932 780 K CA -0.170 56.068 56.287 -0.082 0.000 0.820 780 K CB 1.875 34.250 32.500 -0.208 0.000 1.345 780 K HN 0.150 nan 8.250 nan 0.000 0.432 781 A N 3.763 126.538 122.820 -0.076 0.000 2.586 781 A HA 0.402 4.936 4.320 0.357 0.000 0.320 781 A C -1.442 176.216 177.584 0.125 0.000 1.281 781 A CA -0.520 51.550 52.037 0.054 0.000 0.775 781 A CB -0.056 18.948 19.000 0.007 0.000 1.122 781 A HN 0.587 nan 8.150 nan 0.000 0.470 782 Y N 0.944 121.288 120.300 0.075 0.000 2.610 782 Y HA 0.311 5.076 4.550 0.357 0.000 0.332 782 Y C 0.923 176.840 175.900 0.027 0.000 1.201 782 Y CA 1.264 59.380 58.100 0.025 0.000 1.465 782 Y CB 0.635 39.067 38.460 -0.046 0.000 1.283 782 Y HN 0.855 nan 8.280 nan 0.000 0.563 783 A N 1.694 124.492 122.820 -0.037 0.000 2.566 783 A HA 0.686 5.220 4.320 0.357 0.000 0.297 783 A C 0.134 177.474 177.584 -0.406 0.000 1.059 783 A CA -0.054 51.773 52.037 -0.351 0.000 0.691 783 A CB 0.902 19.415 19.000 -0.812 0.000 1.282 783 A HN 0.812 nan 8.150 nan 0.000 0.401 784 G N -0.197 108.339 108.800 -0.439 0.000 2.508 784 G HA2 0.419 4.593 3.960 0.357 0.000 0.217 784 G HA3 0.419 4.593 3.960 0.357 0.000 0.217 784 G C -0.536 174.134 174.900 -0.383 0.000 2.004 784 G CA 0.641 45.528 45.100 -0.356 0.000 0.750 784 G HN 0.663 nan 8.290 nan 0.000 0.730 785 D N -0.304 119.930 120.400 -0.277 0.000 2.473 785 D HA 0.277 5.131 4.640 0.357 0.000 0.226 785 D C 0.582 176.795 176.300 -0.144 0.000 1.089 785 D CA -0.798 53.101 54.000 -0.170 0.000 0.883 785 D CB 0.613 41.375 40.800 -0.062 0.000 1.029 785 D HN 0.182 nan 8.370 nan 0.000 0.517 786 Y N 1.620 121.842 120.300 -0.131 0.000 2.172 786 Y HA -0.266 4.498 4.550 0.357 0.000 0.280 786 Y C 2.469 178.322 175.900 -0.078 0.000 1.209 786 Y CA 1.395 59.408 58.100 -0.145 0.000 1.171 786 Y CB -0.264 38.099 38.460 -0.162 0.000 0.965 786 Y HN 0.337 nan 8.280 nan 0.000 0.520 787 S N -0.789 114.974 115.700 0.105 0.000 2.558 787 S HA 0.018 4.702 4.470 0.357 0.000 0.217 787 S C 0.685 175.310 174.600 0.042 0.000 0.975 787 S CA -0.202 58.035 58.200 0.062 0.000 0.912 787 S CB -0.196 63.033 63.200 0.048 0.000 0.776 787 S HN 0.301 nan 8.310 nan 0.000 0.526 788 N N 1.969 120.688 118.700 0.032 0.000 2.327 788 N HA 0.173 5.128 4.740 0.357 0.000 0.257 788 N C 0.044 175.581 175.510 0.044 0.000 1.281 788 N CA -0.062 53.011 53.050 0.039 0.000 0.942 788 N CB 0.293 38.807 38.487 0.046 0.000 1.199 788 N HN 0.274 nan 8.380 nan 0.000 0.532 789 E N -0.866 119.369 120.200 0.059 0.000 2.242 789 E HA 0.373 4.938 4.350 0.357 0.000 0.275 789 E C -0.132 176.527 176.600 0.099 0.000 1.002 789 E CA -0.683 55.751 56.400 0.057 0.000 0.841 789 E CB 0.501 30.219 29.700 0.030 0.000 1.109 789 E HN 0.695 nan 8.360 nan 0.000 0.394 790 G N 3.464 112.315 108.800 0.085 0.000 2.395 790 G HA2 -0.289 3.885 3.960 0.357 0.000 0.292 790 G HA3 -0.289 3.885 3.960 0.357 0.000 0.292 790 G C 0.101 175.091 174.900 0.149 0.000 0.953 790 G CA 0.986 46.157 45.100 0.119 0.000 1.207 790 G HN 0.675 nan 8.290 nan 0.000 0.503 791 E N -0.727 119.500 120.200 0.045 0.000 3.191 791 E HA 0.198 4.763 4.350 0.357 0.000 0.192 791 E C 0.525 177.050 176.600 -0.125 0.000 0.972 791 E CA 0.001 56.358 56.400 -0.071 0.000 1.266 791 E CB 0.413 30.042 29.700 -0.119 0.000 1.076 791 E HN 0.846 nan 8.360 nan 0.000 0.462 792 K N -1.544 118.840 120.400 -0.026 0.000 2.642 792 K HA 0.305 4.840 4.320 0.357 0.000 0.290 792 K C -0.706 176.025 176.600 0.219 0.000 1.006 792 K CA -0.846 55.450 56.287 0.016 0.000 0.869 792 K CB 1.155 33.564 32.500 -0.151 0.000 1.499 792 K HN -0.069 nan 8.250 nan 0.000 0.403 793 S N 1.539 117.507 115.700 0.446 0.000 2.525 793 S HA 0.119 4.803 4.470 0.357 0.000 0.285 793 S C -1.193 173.594 174.600 0.311 0.000 1.283 793 S CA -1.174 57.218 58.200 0.321 0.000 1.072 793 S CB 0.293 63.617 63.200 0.207 0.000 0.867 793 S HN 0.528 nan 8.310 nan 0.000 0.492 794 P HA -0.118 nan 4.420 nan 0.000 0.224 794 P C 1.306 178.720 177.300 0.190 0.000 1.142 794 P CA 0.998 64.204 63.100 0.177 0.000 0.778 794 P CB -0.020 31.755 31.700 0.124 0.000 0.764 795 I N -1.698 118.929 120.570 0.094 0.000 2.394 795 I HA -0.194 4.191 4.170 0.357 0.000 0.251 795 I C 2.223 178.384 176.117 0.073 0.000 1.136 795 I CA 1.091 62.393 61.300 0.004 0.000 1.425 795 I CB -0.642 37.240 38.000 -0.197 0.000 1.079 795 I HN -0.171 nan 8.210 nan 0.000 0.425 796 F N 1.425 121.447 119.950 0.119 0.000 2.192 796 F HA -0.250 4.491 4.527 0.357 0.000 0.301 796 F C 2.411 178.274 175.800 0.105 0.000 1.079 796 F CA 1.330 59.402 58.000 0.120 0.000 1.303 796 F CB -0.436 38.670 39.000 0.177 0.000 1.024 796 F HN 0.118 nan 8.300 nan 0.000 0.494 797 E N -1.028 119.342 120.200 0.284 0.000 2.267 797 E HA -0.230 4.335 4.350 0.357 0.000 0.197 797 E C 0.911 177.479 176.600 -0.053 0.000 0.998 797 E CA 0.999 57.456 56.400 0.096 0.000 0.830 797 E CB -0.284 29.433 29.700 0.028 0.000 0.751 797 E HN 0.530 nan 8.360 nan 0.000 0.491 798 Y N 0.115 120.437 120.300 0.036 0.000 2.495 798 Y HA 0.214 4.978 4.550 0.357 0.000 0.293 798 Y C 1.240 177.140 175.900 -0.000 0.000 1.186 798 Y CA 0.232 58.334 58.100 0.003 0.000 1.266 798 Y CB 0.502 38.944 38.460 -0.029 0.000 1.101 798 Y HN -0.008 nan 8.280 nan 0.000 0.517 799 G N 1.983 110.850 108.800 0.111 0.000 2.350 799 G HA2 -0.259 3.916 3.960 0.357 0.000 0.298 799 G HA3 -0.259 3.916 3.960 0.357 0.000 0.298 799 G C -0.200 174.741 174.900 0.068 0.000 1.037 799 G CA 0.589 45.738 45.100 0.082 0.000 1.074 799 G HN 0.531 nan 8.290 nan 0.000 0.511 800 I N -3.109 117.487 120.570 0.042 0.000 2.731 800 I HA 0.420 4.805 4.170 0.357 0.000 0.289 800 I C -1.319 174.663 176.117 -0.225 0.000 1.399 800 I CA -1.354 59.907 61.300 -0.064 0.000 1.048 800 I CB 2.129 40.037 38.000 -0.154 0.000 1.345 800 I HN 0.011 nan 8.210 nan 0.000 0.425 801 D N 8.877 129.185 120.400 -0.153 0.000 2.339 801 D HA 0.294 5.149 4.640 0.357 0.000 0.241 801 D C -1.311 174.801 176.300 -0.314 0.000 1.183 801 D CA -2.247 51.589 54.000 -0.274 0.000 0.859 801 D CB 1.639 42.499 40.800 0.101 0.000 1.067 801 D HN 0.410 nan 8.370 nan 0.000 0.484 802 P HA -0.113 nan 4.420 nan 0.000 0.221 802 P C 0.150 177.435 177.300 -0.025 0.000 1.145 802 P CA 0.372 63.240 63.100 -0.387 0.000 0.795 802 P CB -0.174 31.334 31.700 -0.319 0.000 0.775 803 T N 0.282 114.840 114.554 0.007 0.000 2.891 803 T HA 0.232 4.796 4.350 0.357 0.000 0.296 803 T C 1.600 176.419 174.700 0.198 0.000 1.025 803 T CA 1.325 63.482 62.100 0.094 0.000 1.149 803 T CB -0.223 68.689 68.868 0.073 0.000 1.007 803 T HN 0.427 nan 8.240 nan 0.000 0.528 804 G N 2.291 111.189 108.800 0.163 0.000 2.363 804 G HA2 -0.277 3.897 3.960 0.357 0.000 0.238 804 G HA3 -0.277 3.897 3.960 0.357 0.000 0.238 804 G C 0.242 175.218 174.900 0.126 0.000 1.062 804 G CA -0.049 45.127 45.100 0.126 0.000 0.629 804 G HN 0.744 nan 8.290 nan 0.000 0.514 805 Y N 0.579 120.886 120.300 0.011 0.000 2.459 805 Y HA 0.464 5.228 4.550 0.357 0.000 0.349 805 Y C 1.320 177.233 175.900 0.022 0.000 1.266 805 Y CA -0.075 58.026 58.100 0.002 0.000 1.483 805 Y CB 0.348 38.799 38.460 -0.014 0.000 1.362 805 Y HN 0.193 nan 8.280 nan 0.000 0.628 806 L N 3.228 124.538 121.223 0.145 0.000 2.313 806 L HA 0.394 4.948 4.340 0.357 0.000 0.283 806 L C -0.751 176.179 176.870 0.100 0.000 1.013 806 L CA -0.474 54.420 54.840 0.090 0.000 0.816 806 L CB 1.188 43.226 42.059 -0.034 0.000 1.236 806 L HN 0.438 nan 8.230 nan 0.000 0.419 807 I N 3.565 124.198 120.570 0.104 0.000 2.363 807 I HA 0.057 4.441 4.170 0.357 0.000 0.292 807 I C 1.036 177.200 176.117 0.079 0.000 1.075 807 I CA -0.157 61.166 61.300 0.039 0.000 1.333 807 I CB 0.937 38.887 38.000 -0.083 0.000 1.415 807 I HN 0.715 nan 8.210 nan 0.000 0.502 808 E N 4.887 125.120 120.200 0.056 0.000 2.011 808 E HA -0.038 4.527 4.350 0.357 0.000 0.191 808 E C -0.122 176.496 176.600 0.031 0.000 0.980 808 E CA 1.107 57.559 56.400 0.087 0.000 0.814 808 E CB 0.008 29.736 29.700 0.047 0.000 0.775 808 E HN 0.832 nan 8.360 nan 0.000 0.454 809 D N -1.412 118.977 120.400 -0.018 0.000 2.609 809 D HA 0.510 5.364 4.640 0.357 0.000 0.239 809 D C -0.815 175.439 176.300 -0.076 0.000 1.229 809 D CA -0.578 53.392 54.000 -0.049 0.000 0.808 809 D CB 1.366 42.145 40.800 -0.034 0.000 1.448 809 D HN -0.094 nan 8.370 nan 0.000 0.433 810 I N 0.705 121.219 120.570 -0.093 0.000 2.447 810 I HA 0.283 4.667 4.170 0.357 0.000 0.287 810 I C -0.584 175.487 176.117 -0.077 0.000 1.023 810 I CA -0.668 60.573 61.300 -0.098 0.000 1.083 810 I CB 1.797 39.717 38.000 -0.133 0.000 1.245 810 I HN 0.650 nan 8.210 nan 0.000 0.434 811 D N 5.243 125.605 120.400 -0.063 0.000 2.689 811 D HA -0.204 4.650 4.640 0.357 0.000 0.237 811 D C 1.046 177.321 176.300 -0.043 0.000 1.148 811 D CA 1.647 55.618 54.000 -0.048 0.000 0.656 811 D CB -0.625 40.148 40.800 -0.045 0.000 1.050 811 D HN 1.097 nan 8.370 nan 0.000 0.426 812 G N 0.086 108.861 108.800 -0.041 0.000 2.640 812 G HA2 -0.390 3.784 3.960 0.357 0.000 0.226 812 G HA3 -0.390 3.784 3.960 0.357 0.000 0.226 812 G C 0.200 175.077 174.900 -0.038 0.000 1.222 812 G CA 0.625 45.704 45.100 -0.035 0.000 0.729 812 G HN 0.816 nan 8.290 nan 0.000 0.516 813 E N 2.042 122.214 120.200 -0.047 0.000 2.366 813 E HA 0.434 4.998 4.350 0.357 0.000 0.266 813 E C -0.027 176.537 176.600 -0.059 0.000 1.015 813 E CA 0.277 56.645 56.400 -0.053 0.000 0.906 813 E CB 0.228 29.891 29.700 -0.062 0.000 0.979 813 E HN 0.193 nan 8.360 nan 0.000 0.443 814 T N 4.282 118.806 114.554 -0.051 0.000 2.851 814 T HA 0.256 4.820 4.350 0.357 0.000 0.298 814 T C -0.248 174.415 174.700 -0.063 0.000 0.977 814 T CA -0.474 61.596 62.100 -0.049 0.000 1.126 814 T CB 0.648 69.490 68.868 -0.042 0.000 0.916 814 T HN 0.415 nan 8.240 nan 0.000 0.529 815 V N 1.088 120.966 119.914 -0.059 0.000 2.881 815 V HA 1.084 5.418 4.120 0.357 0.000 0.316 815 V C 0.474 176.579 176.094 0.018 0.000 1.070 815 V CA -0.154 62.122 62.300 -0.039 0.000 0.976 815 V CB 1.199 32.950 31.823 -0.119 0.000 1.038 815 V HN 1.141 nan 8.190 nan 0.000 0.446 816 G N 0.980 109.833 108.800 0.089 0.000 2.334 816 G HA2 0.485 4.659 3.960 0.357 0.000 0.249 816 G HA3 0.485 4.659 3.960 0.357 0.000 0.249 816 G C 0.628 175.384 174.900 -0.240 0.000 1.327 816 G CA -0.034 44.980 45.100 -0.144 0.000 0.979 816 G HN 1.689 nan 8.290 nan 0.000 0.471 817 A N -0.672 121.965 122.820 -0.305 0.000 1.929 817 A HA 0.112 4.646 4.320 0.357 0.000 0.221 817 A C 2.369 179.873 177.584 -0.133 0.000 1.211 817 A CA 3.339 55.243 52.037 -0.222 0.000 0.657 817 A CB -0.974 17.914 19.000 -0.186 0.000 0.827 817 A HN 2.252 nan 8.150 nan 0.000 0.462 818 G N -2.239 106.495 108.800 -0.110 0.000 3.502 818 G HA2 0.419 4.594 3.960 0.357 0.000 0.267 818 G HA3 0.419 4.594 3.960 0.357 0.000 0.267 818 G C 0.076 174.944 174.900 -0.054 0.000 1.090 818 G CA 0.841 45.898 45.100 -0.072 0.000 0.795 818 G HN 0.489 nan 8.290 nan 0.000 0.535 819 S N 0.572 116.248 115.700 -0.040 0.000 2.775 819 S HA 0.240 4.924 4.470 0.357 0.000 0.277 819 S C -0.794 173.814 174.600 0.014 0.000 1.156 819 S CA -0.796 57.386 58.200 -0.031 0.000 1.081 819 S CB 0.595 63.765 63.200 -0.051 0.000 1.054 819 S HN 0.210 nan 8.310 nan 0.000 0.482 820 N N 4.905 123.586 118.700 -0.032 0.000 2.411 820 N HA 0.002 4.956 4.740 0.357 0.000 0.282 820 N C 1.194 176.549 175.510 -0.258 0.000 1.322 820 N CA 0.233 53.250 53.050 -0.055 0.000 0.943 820 N CB 0.105 38.526 38.487 -0.111 0.000 1.266 820 N HN 0.829 nan 8.380 nan 0.000 0.486 821 I N 4.515 124.790 120.570 -0.492 0.000 2.361 821 I HA -0.293 4.091 4.170 0.357 0.000 0.251 821 I C 0.814 176.505 176.117 -0.710 0.000 1.133 821 I CA 1.180 61.992 61.300 -0.814 0.000 1.413 821 I CB 0.035 37.084 38.000 -1.584 0.000 1.073 821 I HN 0.499 nan 8.210 nan 0.000 0.424 822 Y N 0.652 120.752 120.300 -0.332 0.000 2.181 822 Y HA -0.259 4.506 4.550 0.357 0.000 0.288 822 Y C 2.731 178.359 175.900 -0.453 0.000 1.146 822 Y CA 1.757 59.714 58.100 -0.238 0.000 1.164 822 Y CB -0.819 37.572 38.460 -0.115 0.000 0.982 822 Y HN 0.154 nan 8.280 nan 0.000 0.515 823 R N 0.193 120.279 120.500 -0.690 0.000 2.062 823 R HA -0.114 4.440 4.340 0.357 0.000 0.231 823 R C 2.104 178.152 176.300 -0.420 0.000 1.136 823 R CA 1.601 57.068 56.100 -1.055 0.000 0.948 823 R CB -0.608 29.033 30.300 -1.098 0.000 0.845 823 R HN 0.183 nan 8.270 nan 0.000 0.430 824 V N 1.791 121.509 119.914 -0.327 0.000 2.282 824 V HA -0.291 4.043 4.120 0.357 0.000 0.249 824 V C 2.461 178.459 176.094 -0.160 0.000 1.057 824 V CA 1.942 64.115 62.300 -0.211 0.000 1.032 824 V CB -0.458 31.235 31.823 -0.216 0.000 0.645 824 V HN 0.366 nan 8.190 nan 0.000 0.447 825 L N -0.251 120.864 121.223 -0.179 0.000 2.079 825 L HA -0.194 4.361 4.340 0.357 0.000 0.210 825 L C 2.722 179.577 176.870 -0.025 0.000 1.081 825 L CA 1.788 56.573 54.840 -0.091 0.000 0.752 825 L CB -0.647 41.376 42.059 -0.060 0.000 0.896 825 L HN 0.390 nan 8.230 nan 0.000 0.433 826 S N 0.028 115.719 115.700 -0.015 0.000 2.370 826 S HA -0.233 4.452 4.470 0.357 0.000 0.226 826 S C 1.695 176.331 174.600 0.060 0.000 1.033 826 S CA 1.592 59.838 58.200 0.076 0.000 1.011 826 S CB -0.161 63.161 63.200 0.204 0.000 0.852 826 S HN 0.484 nan 8.310 nan 0.000 0.457 827 E N -0.212 119.998 120.200 0.018 0.000 2.516 827 E HA 0.004 4.569 4.350 0.357 0.000 0.199 827 E C 1.137 177.740 176.600 0.005 0.000 1.069 827 E CA 0.455 56.865 56.400 0.018 0.000 0.876 827 E CB 0.201 29.898 29.700 -0.004 0.000 0.843 827 E HN 0.282 nan 8.360 nan 0.000 0.530 828 K N -0.182 120.217 120.400 -0.002 0.000 2.402 828 K HA 0.243 4.777 4.320 0.357 0.000 0.204 828 K C 0.153 176.758 176.600 0.010 0.000 1.056 828 K CA -0.118 56.166 56.287 -0.004 0.000 1.069 828 K CB 0.906 33.391 32.500 -0.024 0.000 0.888 828 K HN -0.026 nan 8.250 nan 0.000 0.546 829 A N 0.844 123.678 122.820 0.024 0.000 2.567 829 A HA 0.379 4.913 4.320 0.357 0.000 0.240 829 A C 1.242 178.842 177.584 0.028 0.000 1.053 829 A CA 1.258 53.315 52.037 0.033 0.000 0.755 829 A CB -0.469 18.561 19.000 0.050 0.000 0.978 829 A HN 0.562 nan 8.150 nan 0.000 0.507 830 G N 1.603 110.419 108.800 0.026 0.000 2.143 830 G HA2 -0.072 4.103 3.960 0.357 0.000 0.249 830 G HA3 -0.072 4.103 3.960 0.357 0.000 0.249 830 G C 0.435 175.347 174.900 0.019 0.000 0.981 830 G CA 1.163 46.277 45.100 0.022 0.000 0.665 830 G HN 2.438 nan 8.290 nan 0.000 0.528 831 T N -3.336 111.228 114.554 0.017 0.000 2.716 831 T HA 0.765 5.329 4.350 0.357 0.000 0.286 831 T C -0.350 174.359 174.700 0.015 0.000 1.052 831 T CA 0.238 62.347 62.100 0.014 0.000 1.024 831 T CB 2.035 70.909 68.868 0.009 0.000 1.349 831 T HN 1.065 nan 8.240 nan 0.000 0.525 832 S N -0.376 115.332 115.700 0.013 0.000 2.454 832 S HA 0.750 5.435 4.470 0.357 0.000 0.306 832 S C -0.519 174.081 174.600 -0.000 0.000 1.100 832 S CA -0.412 57.797 58.200 0.014 0.000 1.087 832 S CB 0.118 63.335 63.200 0.027 0.000 1.019 832 S HN 1.172 nan 8.310 nan 0.000 0.480 833 A N 4.091 126.903 122.820 -0.014 0.000 2.413 833 A HA 0.727 5.261 4.320 0.357 0.000 0.307 833 A C -0.385 177.170 177.584 -0.049 0.000 1.087 833 A CA -0.920 51.099 52.037 -0.030 0.000 0.750 833 A CB 1.092 20.069 19.000 -0.039 0.000 1.296 833 A HN 0.886 nan 8.150 nan 0.000 0.423 834 R N 1.668 122.137 120.500 -0.052 0.000 2.267 834 R HA 0.526 5.081 4.340 0.357 0.000 0.319 834 R C -1.343 174.908 176.300 -0.082 0.000 1.067 834 R CA -0.000 56.058 56.100 -0.069 0.000 0.936 834 R CB 0.075 30.344 30.300 -0.051 0.000 1.006 834 R HN 0.619 nan 8.270 nan 0.000 0.452 835 I N 4.612 125.117 120.570 -0.109 0.000 2.389 835 I HA 0.297 4.681 4.170 0.357 0.000 0.288 835 I C -0.257 175.799 176.117 -0.102 0.000 0.999 835 I CA -1.094 60.141 61.300 -0.108 0.000 1.129 835 I CB 1.811 39.739 38.000 -0.121 0.000 1.288 835 I HN 0.516 nan 8.210 nan 0.000 0.444 836 R N 6.821 127.279 120.500 -0.070 0.000 2.254 836 R HA 0.676 5.230 4.340 0.357 0.000 0.318 836 R C -1.518 174.768 176.300 -0.023 0.000 1.031 836 R CA 0.025 56.098 56.100 -0.045 0.000 0.905 836 R CB 0.598 30.882 30.300 -0.027 0.000 1.050 836 R HN 0.594 nan 8.270 nan 0.000 0.456 837 L N 1.878 123.100 121.223 -0.002 0.000 2.271 837 L HA 0.653 5.207 4.340 0.357 0.000 0.265 837 L C -0.501 176.453 176.870 0.140 0.000 1.013 837 L CA -1.017 53.866 54.840 0.072 0.000 0.820 837 L CB 2.513 44.601 42.059 0.048 0.000 1.352 837 L HN 0.639 nan 8.230 nan 0.000 0.443 838 S N -0.664 115.169 115.700 0.221 0.000 2.689 838 S HA 0.579 5.263 4.470 0.357 0.000 0.274 838 S C -0.206 174.289 174.600 -0.175 0.000 1.176 838 S CA -0.607 57.632 58.200 0.065 0.000 1.014 838 S CB 1.741 64.915 63.200 -0.043 0.000 1.071 838 S HN 0.842 nan 8.310 nan 0.000 0.478 839 G N 1.529 109.983 108.800 -0.577 0.000 2.857 839 G HA2 0.616 4.790 3.960 0.357 0.000 0.217 839 G HA3 0.616 4.790 3.960 0.357 0.000 0.217 839 G C -0.309 174.292 174.900 -0.499 0.000 1.357 839 G CA -0.674 43.739 45.100 -1.145 0.000 1.033 839 G HN 0.555 nan 8.290 nan 0.000 0.571 840 K N 0.063 120.213 120.400 -0.415 0.000 2.485 840 K HA 0.454 4.989 4.320 0.357 0.000 0.277 840 K C 0.953 177.461 176.600 -0.154 0.000 0.990 840 K CA 1.237 57.396 56.287 -0.213 0.000 0.994 840 K CB -0.006 32.403 32.500 -0.152 0.000 0.906 840 K HN 1.737 nan 8.250 nan 0.000 0.488 841 G N 2.846 111.581 108.800 -0.108 0.000 2.552 841 G HA2 -0.258 3.916 3.960 0.357 0.000 0.265 841 G HA3 -0.258 3.916 3.960 0.357 0.000 0.265 841 G C 0.594 175.447 174.900 -0.077 0.000 1.234 841 G CA -0.035 45.020 45.100 -0.076 0.000 0.944 841 G HN 1.167 nan 8.290 nan 0.000 0.568 842 G N -0.079 108.688 108.800 -0.055 0.000 3.314 842 G HA2 0.387 4.562 3.960 0.357 0.000 0.238 842 G HA3 0.387 4.562 3.960 0.357 0.000 0.238 842 G C 0.251 175.129 174.900 -0.037 0.000 1.184 842 G CA 1.025 46.098 45.100 -0.045 0.000 0.806 842 G HN 0.747 nan 8.290 nan 0.000 0.536 843 D N 1.478 121.847 120.400 -0.052 0.000 2.382 843 D HA 0.177 5.031 4.640 0.357 0.000 0.259 843 D C 0.076 176.382 176.300 0.011 0.000 1.224 843 D CA 0.569 54.558 54.000 -0.018 0.000 0.894 843 D CB 0.413 41.185 40.800 -0.047 0.000 1.127 843 D HN 0.177 nan 8.370 nan 0.000 0.487 844 K N 4.158 124.588 120.400 0.049 0.000 2.507 844 K HA 0.470 5.004 4.320 0.357 0.000 0.251 844 K C -0.330 176.309 176.600 0.065 0.000 0.943 844 K CA -0.997 55.325 56.287 0.059 0.000 0.794 844 K CB 2.315 34.826 32.500 0.017 0.000 1.188 844 K HN 0.200 nan 8.250 nan 0.000 0.428 845 R N 1.502 122.043 120.500 0.068 0.000 2.711 845 R HA 0.350 4.904 4.340 0.357 0.000 0.284 845 R C -0.922 175.352 176.300 -0.043 0.000 0.968 845 R CA -0.854 55.248 56.100 0.004 0.000 0.924 845 R CB 1.325 31.601 30.300 -0.039 0.000 1.162 845 R HN 0.633 nan 8.270 nan 0.000 0.465 846 D N 3.000 123.357 120.400 -0.072 0.000 2.364 846 D HA 0.271 5.126 4.640 0.357 0.000 0.251 846 D C -0.923 175.287 176.300 -0.149 0.000 1.282 846 D CA -0.336 53.610 54.000 -0.090 0.000 0.927 846 D CB 0.143 40.915 40.800 -0.047 0.000 1.267 846 D HN 0.430 nan 8.370 nan 0.000 0.531 847 L N -0.278 120.782 121.223 -0.271 0.000 2.322 847 L HA 0.645 5.200 4.340 0.357 0.000 0.269 847 L C 0.421 177.081 176.870 -0.350 0.000 1.012 847 L CA -1.129 53.420 54.840 -0.485 0.000 0.815 847 L CB 1.707 43.097 42.059 -1.115 0.000 1.295 847 L HN -0.005 nan 8.230 nan 0.000 0.438 848 M N 3.364 122.808 119.600 -0.259 0.000 2.151 848 M HA 0.372 5.066 4.480 0.357 0.000 0.349 848 M C -0.591 175.680 176.300 -0.048 0.000 1.284 848 M CA -0.289 54.966 55.300 -0.075 0.000 1.173 848 M CB 0.411 33.038 32.600 0.045 0.000 1.469 848 M HN 0.371 nan 8.290 nan 0.000 0.439 849 I N 2.456 122.982 120.570 -0.074 0.000 2.488 849 I HA 0.248 4.633 4.170 0.357 0.000 0.299 849 I C 0.208 176.340 176.117 0.026 0.000 0.984 849 I CA -0.648 60.641 61.300 -0.018 0.000 1.250 849 I CB 1.180 39.144 38.000 -0.060 0.000 1.389 849 I HN 0.403 nan 8.210 nan 0.000 0.488 850 D N 5.459 125.895 120.400 0.060 0.000 2.316 850 D HA 0.241 5.095 4.640 0.357 0.000 0.245 850 D C 0.095 176.419 176.300 0.041 0.000 1.171 850 D CA -0.190 53.841 54.000 0.052 0.000 0.856 850 D CB 0.998 41.837 40.800 0.065 0.000 1.090 850 D HN 0.090 nan 8.370 nan 0.000 0.476 851 I N 4.029 124.616 120.570 0.028 0.000 2.308 851 I HA 0.113 4.497 4.170 0.357 0.000 0.293 851 I C 0.706 176.843 176.117 0.033 0.000 1.078 851 I CA -0.347 60.969 61.300 0.028 0.000 1.292 851 I CB -0.352 37.657 38.000 0.015 0.000 1.423 851 I HN 0.153 nan 8.210 nan 0.000 0.493 852 L N 5.853 127.099 121.223 0.038 0.000 2.453 852 L HA 0.176 4.730 4.340 0.357 0.000 0.261 852 L C 0.959 177.849 176.870 0.033 0.000 1.179 852 L CA -0.189 54.672 54.840 0.034 0.000 0.813 852 L CB 0.393 42.472 42.059 0.033 0.000 1.110 852 L HN 0.453 nan 8.230 nan 0.000 0.466 853 D N -0.677 119.741 120.400 0.029 0.000 2.333 853 D HA 0.001 4.856 4.640 0.357 0.000 0.208 853 D C -0.319 175.996 176.300 0.025 0.000 0.984 853 D CA 0.812 54.831 54.000 0.032 0.000 0.873 853 D CB 0.331 41.149 40.800 0.029 0.000 0.935 853 D HN 0.510 nan 8.370 nan 0.000 0.521 854 D N -1.026 119.382 120.400 0.014 0.000 2.654 854 D HA 0.169 5.023 4.640 0.357 0.000 0.231 854 D C -1.560 174.733 176.300 -0.013 0.000 1.239 854 D CA -0.710 53.287 54.000 -0.004 0.000 0.790 854 D CB 1.333 42.129 40.800 -0.006 0.000 1.480 854 D HN -0.125 nan 8.370 nan 0.000 0.442 855 D N 1.194 121.564 120.400 -0.049 0.000 2.651 855 D HA 0.093 4.947 4.640 0.357 0.000 0.280 855 D C 1.206 177.435 176.300 -0.118 0.000 1.496 855 D CA -0.328 53.632 54.000 -0.066 0.000 0.792 855 D CB 0.126 40.870 40.800 -0.093 0.000 1.144 855 D HN 0.245 nan 8.370 nan 0.000 0.470 856 R N 0.343 120.786 120.500 -0.096 0.000 2.082 856 R HA -0.091 4.464 4.340 0.357 0.000 0.234 856 R C 1.589 177.843 176.300 -0.077 0.000 1.136 856 R CA 1.551 57.573 56.100 -0.130 0.000 0.935 856 R CB -1.128 29.108 30.300 -0.107 0.000 0.842 856 R HN 0.163 nan 8.270 nan 0.000 0.430 857 F N 0.824 120.705 119.950 -0.116 0.000 2.120 857 F HA -0.142 4.600 4.527 0.358 0.000 0.300 857 F C 1.917 177.707 175.800 -0.016 0.000 1.095 857 F CA 1.733 59.706 58.000 -0.044 0.000 1.249 857 F CB -0.337 38.631 39.000 -0.053 0.000 0.995 857 F HN 0.082 nan 8.300 nan 0.000 0.480 858 I N -0.142 120.355 120.570 -0.121 0.000 2.286 858 I HA -0.316 4.068 4.170 0.357 0.000 0.248 858 I C 2.469 178.461 176.117 -0.209 0.000 1.115 858 I CA 1.407 62.595 61.300 -0.188 0.000 1.392 858 I CB -0.519 37.444 38.000 -0.062 0.000 1.065 858 I HN 0.100 nan 8.210 nan 0.000 0.418 859 R N -0.342 120.016 120.500 -0.236 0.000 2.092 859 R HA -0.192 4.362 4.340 0.357 0.000 0.231 859 R C 2.387 178.577 176.300 -0.184 0.000 1.119 859 R CA 1.461 57.405 56.100 -0.259 0.000 0.970 859 R CB -0.531 29.487 30.300 -0.470 0.000 0.864 859 R HN 0.333 nan 8.270 nan 0.000 0.440 860 Y N 1.702 121.777 120.300 -0.375 0.000 2.114 860 Y HA -0.185 4.580 4.550 0.357 0.000 0.284 860 Y C 2.178 177.936 175.900 -0.237 0.000 1.143 860 Y CA 1.449 59.298 58.100 -0.419 0.000 1.135 860 Y CB 0.002 38.167 38.460 -0.491 0.000 0.980 860 Y HN -0.189 nan 8.280 nan 0.000 0.499 861 R N -0.141 120.010 120.500 -0.583 0.000 2.120 861 R HA -0.142 4.412 4.340 0.357 0.000 0.234 861 R C 2.656 178.748 176.300 -0.347 0.000 1.123 861 R CA 1.174 56.937 56.100 -0.562 0.000 0.975 861 R CB -1.222 28.710 30.300 -0.612 0.000 0.866 861 R HN 0.382 nan 8.270 nan 0.000 0.446 862 S N -0.005 115.561 115.700 -0.223 0.000 2.356 862 S HA -0.178 4.507 4.470 0.357 0.000 0.223 862 S C 1.646 176.201 174.600 -0.076 0.000 1.032 862 S CA 1.263 59.398 58.200 -0.108 0.000 1.005 862 S CB -0.281 62.976 63.200 0.094 0.000 0.867 862 S HN 0.535 nan 8.310 nan 0.000 0.449 863 W N 1.888 123.046 121.300 -0.237 0.000 2.354 863 W HA -0.150 4.724 4.660 0.357 0.000 0.315 863 W C 2.013 178.386 176.519 -0.243 0.000 1.206 863 W CA 1.792 59.013 57.345 -0.207 0.000 1.290 863 W CB -0.827 28.517 29.460 -0.192 0.000 1.152 863 W HN 0.095 nan 8.180 nan 0.000 0.489 864 V N 1.207 121.015 119.914 -0.178 0.000 2.255 864 V HA -0.332 4.003 4.120 0.357 0.000 0.247 864 V C 2.426 178.367 176.094 -0.256 0.000 1.051 864 V CA 2.395 64.550 62.300 -0.242 0.000 1.018 864 V CB -1.056 30.628 31.823 -0.233 0.000 0.641 864 V HN 0.148 nan 8.190 nan 0.000 0.445 865 E N 0.137 120.198 120.200 -0.233 0.000 2.153 865 E HA -0.165 4.399 4.350 0.357 0.000 0.194 865 E C 2.306 178.752 176.600 -0.257 0.000 0.988 865 E CA 1.436 57.712 56.400 -0.207 0.000 0.811 865 E CB -0.512 29.075 29.700 -0.188 0.000 0.746 865 E HN 0.604 nan 8.360 nan 0.000 0.466 866 A N 1.669 124.311 122.820 -0.298 0.000 1.855 866 A HA -0.200 4.334 4.320 0.357 0.000 0.215 866 A C 1.994 179.334 177.584 -0.408 0.000 1.191 866 A CA 1.649 53.507 52.037 -0.299 0.000 0.613 866 A CB -0.875 17.956 19.000 -0.282 0.000 0.829 866 A HN 0.298 nan 8.150 nan 0.000 0.442 867 N N -1.008 117.294 118.700 -0.664 0.000 2.149 867 N HA -0.203 4.751 4.740 0.357 0.000 0.188 867 N C 2.090 177.039 175.510 -0.934 0.000 1.019 867 N CA 1.165 53.674 53.050 -0.902 0.000 0.857 867 N CB -0.178 37.478 38.487 -1.385 0.000 0.997 867 N HN 0.480 nan 8.380 nan 0.000 0.426 868 R N 1.652 121.706 120.500 -0.744 0.000 2.073 868 R HA -0.038 4.517 4.340 0.357 0.000 0.234 868 R C 2.064 177.969 176.300 -0.659 0.000 1.134 868 R CA 1.187 56.939 56.100 -0.580 0.000 0.952 868 R CB 0.029 30.186 30.300 -0.238 0.000 0.850 868 R HN 0.223 nan 8.270 nan 0.000 0.433 869 R N -0.891 119.373 120.500 -0.394 0.000 2.096 869 R HA -0.187 4.367 4.340 0.357 0.000 0.235 869 R C 2.209 178.382 176.300 -0.212 0.000 1.127 869 R CA 1.627 57.583 56.100 -0.241 0.000 0.968 869 R CB -0.502 29.729 30.300 -0.114 0.000 0.861 869 R HN 0.314 nan 8.270 nan 0.000 0.440 870 Y N 1.366 121.458 120.300 -0.347 0.000 2.089 870 Y HA -0.247 4.517 4.550 0.357 0.000 0.282 870 Y C 2.216 177.956 175.900 -0.266 0.000 1.139 870 Y CA 1.452 59.382 58.100 -0.282 0.000 1.123 870 Y CB -0.428 37.835 38.460 -0.329 0.000 0.980 870 Y HN -0.261 nan 8.280 nan 0.000 0.493 871 V N 0.432 120.154 119.914 -0.321 0.000 2.380 871 V HA -0.367 3.967 4.120 0.357 0.000 0.251 871 V C 2.335 178.302 176.094 -0.210 0.000 1.063 871 V CA 2.284 64.409 62.300 -0.292 0.000 1.055 871 V CB -0.841 30.822 31.823 -0.266 0.000 0.657 871 V HN 0.512 nan 8.190 nan 0.000 0.455 872 H N 0.450 119.392 119.070 -0.214 0.000 2.276 872 H HA -0.094 4.677 4.556 0.357 0.000 0.301 872 H C 2.387 177.625 175.328 -0.151 0.000 1.073 872 H CA 1.799 57.750 56.048 -0.162 0.000 1.311 872 H CB -0.444 29.252 29.762 -0.111 0.000 1.379 872 H HN 0.531 nan 8.280 nan 0.000 0.494 873 E N 0.402 120.571 120.200 -0.051 0.000 2.085 873 E HA -0.164 4.401 4.350 0.357 0.000 0.194 873 E C 2.376 178.867 176.600 -0.181 0.000 0.994 873 E CA 0.862 57.194 56.400 -0.114 0.000 0.801 873 E CB 0.040 29.655 29.700 -0.142 0.000 0.743 873 E HN 0.238 nan 8.360 nan 0.000 0.453 874 R N 0.607 120.914 120.500 -0.321 0.000 2.115 874 R HA -0.053 4.502 4.340 0.357 0.000 0.226 874 R C 1.740 177.942 176.300 -0.164 0.000 1.100 874 R CA 1.427 57.342 56.100 -0.308 0.000 0.980 874 R CB 0.057 30.050 30.300 -0.513 0.000 0.875 874 R HN 0.157 nan 8.270 nan 0.000 0.445 875 S N 0.324 115.953 115.700 -0.119 0.000 2.660 875 S HA 0.132 4.817 4.470 0.357 0.000 0.227 875 S C -0.026 174.564 174.600 -0.018 0.000 0.948 875 S CA -0.377 57.792 58.200 -0.051 0.000 0.948 875 S CB 0.361 63.548 63.200 -0.021 0.000 0.779 875 S HN 0.127 nan 8.310 nan 0.000 0.487 876 K N 0.936 121.316 120.400 -0.034 0.000 3.077 876 K HA -0.181 4.353 4.320 0.357 0.000 0.264 876 K C 0.867 177.476 176.600 0.014 0.000 1.008 876 K CA 0.719 56.997 56.287 -0.016 0.000 0.740 876 K CB -2.577 29.913 32.500 -0.017 0.000 1.273 876 K HN 1.326 nan 8.250 nan 0.000 0.477 877 G N -0.224 108.600 108.800 0.040 0.000 2.221 877 G HA2 -0.370 3.804 3.960 0.357 0.000 0.265 877 G HA3 -0.370 3.804 3.960 0.357 0.000 0.265 877 G C 0.560 175.574 174.900 0.191 0.000 1.041 877 G CA 1.458 46.615 45.100 0.094 0.000 0.807 877 G HN 0.791 nan 8.290 nan 0.000 0.502 878 T N -2.877 111.780 114.554 0.172 0.000 3.040 878 T HA 0.636 5.200 4.350 0.357 0.000 0.266 878 T C 0.646 175.493 174.700 0.246 0.000 1.005 878 T CA 0.262 62.485 62.100 0.205 0.000 0.906 878 T CB 0.476 69.397 68.868 0.088 0.000 1.082 878 T HN 0.512 nan 8.240 nan 0.000 0.531 879 I N 1.206 121.859 120.570 0.139 0.000 2.647 879 I HA 0.656 5.040 4.170 0.357 0.000 0.295 879 I C 0.504 176.456 176.117 -0.275 0.000 1.078 879 I CA -1.447 59.862 61.300 0.016 0.000 1.048 879 I CB 2.282 40.292 38.000 0.017 0.000 1.239 879 I HN 0.211 nan 8.210 nan 0.000 0.421 880 G N 3.222 111.866 108.800 -0.261 0.000 2.488 880 G HA2 0.531 4.705 3.960 0.357 0.000 0.318 880 G HA3 0.531 4.705 3.960 0.357 0.000 0.318 880 G C -2.002 172.880 174.900 -0.031 0.000 1.188 880 G CA -0.184 44.714 45.100 -0.337 0.000 0.944 880 G HN 0.501 nan 8.290 nan 0.000 0.495 881 Y N -0.616 119.585 120.300 -0.165 0.000 2.504 881 Y HA 0.695 5.459 4.550 0.358 0.000 0.344 881 Y C -0.917 174.957 175.900 -0.043 0.000 1.023 881 Y CA -1.159 56.876 58.100 -0.110 0.000 1.020 881 Y CB 1.805 40.143 38.460 -0.203 0.000 1.282 881 Y HN 0.454 nan 8.280 nan 0.000 0.454 882 I N 5.829 125.988 120.570 -0.685 0.000 2.722 882 I HA 0.259 4.644 4.170 0.357 0.000 0.292 882 I C -1.605 174.202 176.117 -0.516 0.000 1.267 882 I CA -0.787 60.272 61.300 -0.402 0.000 1.036 882 I CB 2.414 40.336 38.000 -0.130 0.000 1.281 882 I HN 0.643 nan 8.210 nan 0.000 0.423 883 H N 6.660 125.573 119.070 -0.262 0.000 2.600 883 H HA 0.600 5.370 4.556 0.357 0.000 0.357 883 H C -1.694 173.747 175.328 0.188 0.000 1.106 883 H CA -0.618 55.426 56.048 -0.006 0.000 1.193 883 H CB 2.364 32.288 29.762 0.269 0.000 1.594 883 H HN 0.490 nan 8.280 nan 0.000 0.526 884 I N 7.957 128.187 120.570 -0.567 0.000 2.405 884 I HA 0.187 4.571 4.170 0.357 0.000 0.280 884 I C -1.631 174.321 176.117 -0.274 0.000 1.027 884 I CA -2.031 59.105 61.300 -0.273 0.000 1.161 884 I CB 2.202 39.990 38.000 -0.353 0.000 1.300 884 I HN 0.440 nan 8.210 nan 0.000 0.463 885 P HA -0.110 nan 4.420 nan 0.000 0.218 885 P C -0.265 177.104 177.300 0.115 0.000 1.149 885 P CA 1.533 64.799 63.100 0.277 0.000 0.817 885 P CB 0.211 31.897 31.700 -0.024 0.000 0.785 886 D N -2.863 117.552 120.400 0.024 0.000 2.792 886 D HA 0.144 4.999 4.640 0.357 0.000 0.335 886 D C -0.237 176.024 176.300 -0.065 0.000 1.353 886 D CA -0.580 53.428 54.000 0.014 0.000 0.839 886 D CB -0.264 40.594 40.800 0.096 0.000 1.396 886 D HN -0.328 nan 8.370 nan 0.000 0.479 887 M N 0.730 120.291 119.600 -0.064 0.000 2.869 887 M HA 0.483 5.177 4.480 0.357 0.000 0.338 887 M C 0.467 176.620 176.300 -0.246 0.000 1.227 887 M CA -0.292 54.901 55.300 -0.178 0.000 0.946 887 M CB 0.035 32.544 32.600 -0.152 0.000 1.299 887 M HN 0.588 nan 8.290 nan 0.000 0.518 888 G N -0.094 108.594 108.800 -0.186 0.000 3.008 888 G HA2 0.498 4.673 3.960 0.357 0.000 0.181 888 G HA3 0.498 4.673 3.960 0.357 0.000 0.181 888 G C 0.869 175.478 174.900 -0.485 0.000 1.309 888 G CA -0.328 44.493 45.100 -0.465 0.000 1.009 888 G HN 0.111 nan 8.290 nan 0.000 0.584 889 M N -0.193 119.018 119.600 -0.648 0.000 2.117 889 M HA 0.004 4.698 4.480 0.357 0.000 0.262 889 M C 2.449 178.800 176.300 0.085 0.000 1.065 889 M CA 1.287 56.455 55.300 -0.221 0.000 1.114 889 M CB -1.146 31.370 32.600 -0.140 0.000 1.361 889 M HN 0.619 nan 8.290 nan 0.000 0.408 890 M N 0.070 119.800 119.600 0.216 0.000 2.117 890 M HA -0.114 4.580 4.480 0.357 0.000 0.262 890 M C 2.004 178.397 176.300 0.154 0.000 1.065 890 M CA 2.088 57.525 55.300 0.229 0.000 1.114 890 M CB -0.542 32.117 32.600 0.098 0.000 1.361 890 M HN 0.279 nan 8.290 nan 0.000 0.408 891 G N 0.799 109.640 108.800 0.069 0.000 2.459 891 G HA2 -0.252 3.923 3.960 0.357 0.000 0.217 891 G HA3 -0.252 3.923 3.960 0.357 0.000 0.217 891 G C 1.287 176.215 174.900 0.047 0.000 1.183 891 G CA 0.898 46.012 45.100 0.022 0.000 0.776 891 G HN 0.411 nan 8.290 nan 0.000 0.552 892 L N 1.265 122.491 121.223 0.005 0.000 2.043 892 L HA -0.098 4.456 4.340 0.357 0.000 0.212 892 L C 2.528 179.559 176.870 0.270 0.000 1.075 892 L CA 1.601 56.498 54.840 0.094 0.000 0.752 892 L CB -0.648 41.437 42.059 0.043 0.000 0.891 892 L HN 0.168 nan 8.230 nan 0.000 0.432 893 N N -0.521 118.314 118.700 0.226 0.000 2.058 893 N HA -0.166 4.788 4.740 0.357 0.000 0.191 893 N C 1.651 177.323 175.510 0.270 0.000 1.037 893 N CA 1.440 54.641 53.050 0.252 0.000 0.848 893 N CB -0.182 38.441 38.487 0.226 0.000 1.021 893 N HN 0.382 nan 8.380 nan 0.000 0.422 894 E N 0.534 120.899 120.200 0.275 0.000 2.106 894 E HA -0.121 4.444 4.350 0.357 0.000 0.192 894 E C 1.847 178.577 176.600 0.217 0.000 0.984 894 E CA 0.344 56.922 56.400 0.295 0.000 0.806 894 E CB -0.652 29.290 29.700 0.404 0.000 0.750 894 E HN 0.406 nan 8.360 nan 0.000 0.458 895 F N 0.718 120.680 119.950 0.020 0.000 2.051 895 F HA -0.260 4.481 4.527 0.357 0.000 0.296 895 F C 2.141 177.909 175.800 -0.054 0.000 1.122 895 F CA 1.536 59.462 58.000 -0.123 0.000 1.201 895 F CB -0.414 38.364 39.000 -0.370 0.000 0.978 895 F HN -0.051 nan 8.300 nan 0.000 0.472 896 Y N 0.111 120.443 120.300 0.054 0.000 2.352 896 Y HA -0.149 4.615 4.550 0.357 0.000 0.292 896 Y C 2.612 178.533 175.900 0.036 0.000 1.136 896 Y CA 1.297 59.406 58.100 0.014 0.000 1.227 896 Y CB -0.524 37.999 38.460 0.106 0.000 0.991 896 Y HN 0.058 nan 8.280 nan 0.000 0.545 897 R N 0.070 120.685 120.500 0.193 0.000 2.127 897 R HA -0.178 4.376 4.340 0.357 0.000 0.238 897 R C 1.053 177.405 176.300 0.087 0.000 1.134 897 R CA 1.604 57.791 56.100 0.144 0.000 0.975 897 R CB -0.152 30.246 30.300 0.163 0.000 0.865 897 R HN 0.300 nan 8.270 nan 0.000 0.447 898 L N -1.434 119.813 121.223 0.041 0.000 2.642 898 L HA 0.130 4.685 4.340 0.357 0.000 0.233 898 L C 1.461 178.301 176.870 -0.050 0.000 1.077 898 L CA 0.280 55.125 54.840 0.008 0.000 0.879 898 L CB -0.307 41.757 42.059 0.009 0.000 1.151 898 L HN 0.066 nan 8.230 nan 0.000 0.495 899 F N 1.807 121.564 119.950 -0.322 0.000 2.192 899 F HA -0.222 4.520 4.527 0.358 0.000 0.301 899 F C 2.088 177.800 175.800 -0.147 0.000 1.079 899 F CA 1.847 59.592 58.000 -0.425 0.000 1.303 899 F CB -0.126 38.293 39.000 -0.969 0.000 1.024 899 F HN 0.181 nan 8.300 nan 0.000 0.494 900 I N -2.304 118.187 120.570 -0.132 0.000 3.291 900 I HA -0.026 4.358 4.170 0.357 0.000 0.279 900 I C 0.845 176.894 176.117 -0.113 0.000 1.294 900 I CA 0.918 62.135 61.300 -0.137 0.000 1.428 900 I CB -0.481 37.533 38.000 0.024 0.000 1.070 900 I HN 0.096 nan 8.210 nan 0.000 0.478 901 N N 0.707 119.366 118.700 -0.069 0.000 2.239 901 N HA 0.063 5.017 4.740 0.357 0.000 0.208 901 N C 1.049 176.633 175.510 0.123 0.000 1.200 901 N CA 0.225 53.289 53.050 0.023 0.000 0.895 901 N CB 0.516 39.044 38.487 0.068 0.000 1.085 901 N HN 0.407 nan 8.380 nan 0.000 0.500 902 E N 0.443 120.671 120.200 0.045 0.000 2.473 902 E HA 0.093 4.658 4.350 0.357 0.000 0.204 902 E C 1.390 178.056 176.600 0.110 0.000 0.994 902 E CA 0.210 56.687 56.400 0.128 0.000 0.945 902 E CB 0.273 29.981 29.700 0.012 0.000 0.990 902 E HN 0.229 nan 8.360 nan 0.000 0.493 903 S N 0.164 115.783 115.700 -0.135 0.000 2.515 903 S HA 0.023 4.707 4.470 0.357 0.000 0.231 903 S C 1.536 176.119 174.600 -0.028 0.000 0.987 903 S CA 0.358 58.442 58.200 -0.192 0.000 0.936 903 S CB -0.026 62.739 63.200 -0.724 0.000 0.766 903 S HN -0.098 nan 8.310 nan 0.000 0.528 904 S N 1.008 116.723 115.700 0.025 0.000 2.506 904 S HA 0.444 5.129 4.470 0.357 0.000 0.245 904 S C -0.871 173.703 174.600 -0.044 0.000 1.088 904 S CA -0.682 57.513 58.200 -0.009 0.000 1.099 904 S CB -0.196 62.959 63.200 -0.075 0.000 0.805 904 S HN 0.491 nan 8.310 nan 0.000 0.461 905 Y N 1.581 121.875 120.300 -0.010 0.000 2.519 905 Y HA 0.295 5.059 4.550 0.357 0.000 0.324 905 Y C 1.834 177.745 175.900 0.018 0.000 1.214 905 Y CA -0.834 57.266 58.100 0.001 0.000 1.260 905 Y CB 0.527 38.997 38.460 0.017 0.000 1.311 905 Y HN 0.043 nan 8.280 nan 0.000 0.505 906 Q N 0.576 120.483 119.800 0.178 0.000 2.096 906 Q HA -0.032 4.522 4.340 0.357 0.000 0.204 906 Q C 0.404 176.476 176.000 0.121 0.000 0.982 906 Q CA 1.374 57.244 55.803 0.112 0.000 0.850 906 Q CB -0.081 28.707 28.738 0.084 0.000 0.901 906 Q HN 0.827 nan 8.270 nan 0.000 0.422 907 G N -0.365 108.524 108.800 0.148 0.000 2.605 907 G HA2 0.553 4.727 3.960 0.357 0.000 0.296 907 G HA3 0.553 4.727 3.960 0.357 0.000 0.296 907 G C -2.027 172.950 174.900 0.127 0.000 1.304 907 G CA -0.543 44.628 45.100 0.118 0.000 0.941 907 G HN 0.033 nan 8.290 nan 0.000 0.475 908 L N 0.337 121.634 121.223 0.123 0.000 2.408 908 L HA 0.727 5.281 4.340 0.357 0.000 0.268 908 L C -1.082 175.861 176.870 0.121 0.000 0.986 908 L CA -0.784 54.128 54.840 0.120 0.000 0.820 908 L CB 1.925 44.076 42.059 0.154 0.000 1.303 908 L HN 0.460 nan 8.230 nan 0.000 0.411 909 I N 5.456 126.084 120.570 0.097 0.000 2.355 909 I HA 0.343 4.728 4.170 0.357 0.000 0.288 909 I C -0.627 175.491 176.117 0.002 0.000 0.999 909 I CA -0.805 60.551 61.300 0.093 0.000 1.163 909 I CB 1.844 39.950 38.000 0.176 0.000 1.316 909 I HN 0.264 nan 8.210 nan 0.000 0.454 910 V N 5.043 124.963 119.914 0.009 0.000 2.184 910 V HA 0.087 4.421 4.120 0.357 0.000 0.262 910 V C 0.121 176.164 176.094 -0.086 0.000 1.209 910 V CA -0.447 61.836 62.300 -0.027 0.000 1.070 910 V CB 0.445 32.323 31.823 0.091 0.000 1.244 910 V HN 0.632 nan 8.190 nan 0.000 0.477 911 D N 3.283 123.605 120.400 -0.131 0.000 2.363 911 D HA 0.049 4.904 4.640 0.357 0.000 0.263 911 D C 0.766 177.020 176.300 -0.078 0.000 1.258 911 D CA 0.249 54.265 54.000 0.028 0.000 0.907 911 D CB 1.589 42.535 40.800 0.243 0.000 1.107 911 D HN 0.425 nan 8.370 nan 0.000 0.495 912 V N 1.908 121.776 119.914 -0.077 0.000 3.085 912 V HA 0.371 4.706 4.120 0.357 0.000 0.345 912 V C 0.745 176.803 176.094 -0.060 0.000 1.397 912 V CA -0.725 61.444 62.300 -0.218 0.000 1.165 912 V CB -0.547 31.078 31.823 -0.330 0.000 1.153 912 V HN 0.253 nan 8.190 nan 0.000 0.495 913 R N 0.164 120.725 120.500 0.103 0.000 2.679 913 R HA 0.391 4.945 4.340 0.357 0.000 0.268 913 R C 0.299 176.633 176.300 0.058 0.000 1.044 913 R CA 0.553 56.658 56.100 0.008 0.000 1.105 913 R CB -0.047 30.274 30.300 0.035 0.000 0.989 913 R HN 0.453 nan 8.270 nan 0.000 0.447 914 F N -1.456 118.480 119.950 -0.024 0.000 2.914 914 F HA -0.337 4.405 4.527 0.357 0.000 0.304 914 F C 0.712 176.530 175.800 0.031 0.000 0.712 914 F CA 0.406 58.358 58.000 -0.080 0.000 1.211 914 F CB -1.262 37.373 39.000 -0.608 0.000 1.515 914 F HN 0.611 nan 8.300 nan 0.000 0.350 915 N N 1.816 120.592 118.700 0.126 0.000 2.434 915 N HA 0.099 5.054 4.740 0.357 0.000 0.268 915 N C 1.194 176.740 175.510 0.061 0.000 1.256 915 N CA 1.063 54.155 53.050 0.069 0.000 0.914 915 N CB 1.131 39.588 38.487 -0.050 0.000 1.088 915 N HN 0.389 nan 8.380 nan 0.000 0.478 916 G N 2.172 111.014 108.800 0.070 0.000 2.956 916 G HA2 0.274 4.448 3.960 0.357 0.000 0.207 916 G HA3 0.274 4.448 3.960 0.357 0.000 0.207 916 G C 0.804 175.725 174.900 0.035 0.000 1.162 916 G CA 0.406 45.522 45.100 0.026 0.000 0.796 916 G HN 0.981 nan 8.290 nan 0.000 0.527 917 G N -1.731 107.104 108.800 0.058 0.000 2.782 917 G HA2 0.385 4.559 3.960 0.357 0.000 0.228 917 G HA3 0.385 4.559 3.960 0.357 0.000 0.228 917 G C 0.492 175.468 174.900 0.126 0.000 1.372 917 G CA 0.072 45.235 45.100 0.106 0.000 0.862 917 G HN 1.741 nan 8.290 nan 0.000 0.547 918 G N -2.790 106.113 108.800 0.172 0.000 2.198 918 G HA2 0.601 4.775 3.960 0.357 0.000 0.057 918 G HA3 0.601 4.775 3.960 0.357 0.000 0.057 918 G C 0.448 175.544 174.900 0.327 0.000 0.803 918 G CA 1.244 46.506 45.100 0.269 0.000 1.140 918 G HN 2.435 nan 8.290 nan 0.000 0.405 919 F N -1.071 118.868 119.950 -0.018 0.000 3.187 919 F HA 0.303 5.044 4.527 0.358 0.000 0.398 919 F C 1.205 176.957 175.800 -0.080 0.000 1.110 919 F CA 0.931 58.895 58.000 -0.059 0.000 0.900 919 F CB -0.399 38.566 39.000 -0.059 0.000 1.578 919 F HN 0.877 nan 8.300 nan 0.000 0.511 920 V N 0.197 119.641 119.914 -0.782 0.000 3.563 920 V HA 0.206 4.540 4.120 0.357 0.000 0.299 920 V C 2.034 177.931 176.094 -0.329 0.000 1.290 920 V CA 0.865 62.782 62.300 -0.638 0.000 1.201 920 V CB -1.077 30.297 31.823 -0.748 0.000 1.045 920 V HN 0.492 nan 8.190 nan 0.000 0.425 921 S N 1.912 117.490 115.700 -0.203 0.000 2.356 921 S HA -0.357 4.327 4.470 0.357 0.000 0.223 921 S C 1.976 176.560 174.600 -0.026 0.000 1.032 921 S CA 1.736 59.896 58.200 -0.068 0.000 1.005 921 S CB -0.789 62.451 63.200 0.066 0.000 0.867 921 S HN 0.887 nan 8.310 nan 0.000 0.449 922 Q N 1.594 121.373 119.800 -0.035 0.000 2.133 922 Q HA -0.147 4.407 4.340 0.357 0.000 0.208 922 Q C 2.268 178.242 176.000 -0.043 0.000 0.991 922 Q CA 1.859 57.656 55.803 -0.010 0.000 0.867 922 Q CB -0.925 27.815 28.738 0.004 0.000 0.911 922 Q HN 0.610 nan 8.270 nan 0.000 0.417 923 L N 0.075 121.241 121.223 -0.095 0.000 2.093 923 L HA -0.113 4.441 4.340 0.357 0.000 0.208 923 L C 2.544 179.301 176.870 -0.188 0.000 1.085 923 L CA 0.903 55.681 54.840 -0.103 0.000 0.755 923 L CB -0.408 41.585 42.059 -0.110 0.000 0.904 923 L HN 0.270 nan 8.230 nan 0.000 0.435 924 I N -0.534 119.844 120.570 -0.320 0.000 2.353 924 I HA -0.235 4.149 4.170 0.357 0.000 0.248 924 I C 2.448 178.371 176.117 -0.322 0.000 1.119 924 I CA 0.738 61.664 61.300 -0.623 0.000 1.417 924 I CB -0.043 37.441 38.000 -0.860 0.000 1.078 924 I HN 0.159 nan 8.210 nan 0.000 0.421 925 I N 0.883 121.405 120.570 -0.080 0.000 2.179 925 I HA -0.300 4.084 4.170 0.357 0.000 0.242 925 I C 2.555 178.660 176.117 -0.020 0.000 1.088 925 I CA 1.613 62.915 61.300 0.004 0.000 1.357 925 I CB -1.110 36.901 38.000 0.019 0.000 1.051 925 I HN 0.391 nan 8.210 nan 0.000 0.409 926 E N 1.062 121.246 120.200 -0.027 0.000 2.147 926 E HA -0.309 4.255 4.350 0.357 0.000 0.199 926 E C 2.056 178.656 176.600 0.000 0.000 1.005 926 E CA 1.729 58.127 56.400 -0.004 0.000 0.810 926 E CB 0.143 29.846 29.700 0.005 0.000 0.736 926 E HN 0.210 nan 8.360 nan 0.000 0.460 927 K N 0.428 120.805 120.400 -0.039 0.000 1.973 927 K HA -0.031 4.503 4.320 0.357 0.000 0.210 927 K C 2.101 178.741 176.600 0.067 0.000 1.045 927 K CA 1.242 57.520 56.287 -0.015 0.000 0.937 927 K CB -0.402 32.002 32.500 -0.160 0.000 0.721 927 K HN 0.148 nan 8.250 nan 0.000 0.438 928 L N 0.413 121.685 121.223 0.081 0.000 2.261 928 L HA -0.153 4.401 4.340 0.357 0.000 0.216 928 L C 2.273 179.204 176.870 0.102 0.000 1.114 928 L CA 0.624 55.568 54.840 0.175 0.000 0.777 928 L CB -0.391 41.800 42.059 0.221 0.000 0.910 928 L HN 0.288 nan 8.230 nan 0.000 0.440 929 M N -0.293 119.336 119.600 0.048 0.000 2.358 929 M HA -0.090 4.604 4.480 0.357 0.000 0.264 929 M C 0.527 176.842 176.300 0.025 0.000 1.064 929 M CA 0.892 56.201 55.300 0.015 0.000 1.093 929 M CB -1.071 31.532 32.600 0.005 0.000 1.401 929 M HN 0.325 nan 8.290 nan 0.000 0.440 930 N N 1.465 120.196 118.700 0.050 0.000 2.492 930 N HA 0.021 4.975 4.740 0.357 0.000 0.262 930 N C -0.122 175.409 175.510 0.034 0.000 1.202 930 N CA 0.289 53.361 53.050 0.037 0.000 0.926 930 N CB 0.684 39.202 38.487 0.052 0.000 1.078 930 N HN 0.094 nan 8.380 nan 0.000 0.454 931 K N 2.012 122.417 120.400 0.008 0.000 2.292 931 K HA 0.216 4.750 4.320 0.357 0.000 0.257 931 K C -0.649 175.944 176.600 -0.012 0.000 0.940 931 K CA -0.765 55.526 56.287 0.008 0.000 0.811 931 K CB 1.299 33.803 32.500 0.007 0.000 1.120 931 K HN 0.416 nan 8.250 nan 0.000 0.428 932 R N 5.008 125.498 120.500 -0.018 0.000 2.404 932 R HA 0.086 4.640 4.340 0.357 0.000 0.315 932 R C 0.745 177.010 176.300 -0.057 0.000 1.032 932 R CA 0.299 56.357 56.100 -0.069 0.000 0.992 932 R CB 0.039 30.288 30.300 -0.085 0.000 0.959 932 R HN 0.729 nan 8.270 nan 0.000 0.428 933 I N 0.674 121.226 120.570 -0.030 0.000 4.240 933 I HA 0.502 4.887 4.170 0.357 0.000 0.331 933 I C 0.376 176.486 176.117 -0.011 0.000 1.381 933 I CA -0.407 60.900 61.300 0.011 0.000 1.136 933 I CB 1.151 39.194 38.000 0.071 0.000 1.137 933 I HN 0.590 nan 8.210 nan 0.000 0.411 934 G N 0.077 108.809 108.800 -0.113 0.000 2.550 934 G HA2 0.608 4.783 3.960 0.357 0.000 0.293 934 G HA3 0.608 4.783 3.960 0.357 0.000 0.293 934 G C -2.224 172.439 174.900 -0.394 0.000 1.402 934 G CA -0.539 44.478 45.100 -0.139 0.000 0.784 934 G HN 0.071 nan 8.290 nan 0.000 0.482 935 Y N -1.075 119.261 120.300 0.059 0.000 2.625 935 Y HA 0.572 5.337 4.550 0.357 0.000 0.338 935 Y C -1.124 174.792 175.900 0.027 0.000 1.123 935 Y CA -0.809 57.325 58.100 0.056 0.000 1.046 935 Y CB 2.836 41.316 38.460 0.034 0.000 1.299 935 Y HN 0.402 nan 8.280 nan 0.000 0.464 936 D N 1.094 121.633 120.400 0.232 0.000 2.408 936 D HA 0.298 5.152 4.640 0.357 0.000 0.243 936 D C -1.523 174.836 176.300 0.098 0.000 1.075 936 D CA -0.586 53.486 54.000 0.120 0.000 0.832 936 D CB 0.965 41.827 40.800 0.103 0.000 1.162 936 D HN 0.450 nan 8.370 nan 0.000 0.515 937 N N 3.397 122.133 118.700 0.060 0.000 2.457 937 N HA 0.397 5.351 4.740 0.357 0.000 0.250 937 N C -2.181 173.342 175.510 0.022 0.000 0.982 937 N CA -0.951 52.119 53.050 0.032 0.000 0.941 937 N CB 1.304 39.803 38.487 0.019 0.000 1.120 937 N HN 0.217 nan 8.380 nan 0.000 0.505 938 P HA 0.347 nan 4.420 nan 0.000 0.285 938 P C 0.330 177.633 177.300 0.004 0.000 1.269 938 P CA -0.587 62.521 63.100 0.013 0.000 0.844 938 P CB 1.947 33.656 31.700 0.015 0.000 1.094 939 R N 1.483 121.985 120.500 0.004 0.000 2.115 939 R HA -0.040 4.515 4.340 0.357 0.000 0.230 939 R C 0.724 177.022 176.300 -0.002 0.000 1.111 939 R CA 1.315 57.415 56.100 0.001 0.000 0.976 939 R CB -0.144 30.157 30.300 0.002 0.000 0.870 939 R HN 0.621 nan 8.270 nan 0.000 0.445 940 R N -1.353 119.147 120.500 -0.001 0.000 2.564 940 R HA 0.635 5.189 4.340 0.357 0.000 0.284 940 R C -0.598 175.701 176.300 -0.002 0.000 1.031 940 R CA -0.483 55.615 56.100 -0.003 0.000 0.904 940 R CB 1.670 31.969 30.300 -0.002 0.000 1.199 940 R HN 0.204 nan 8.270 nan 0.000 0.443 941 G N 1.054 109.850 108.800 -0.007 0.000 2.362 941 G HA2 -0.009 4.165 3.960 0.357 0.000 0.517 941 G HA3 -0.009 4.165 3.960 0.357 0.000 0.517 941 G C -0.684 174.208 174.900 -0.013 0.000 1.256 941 G CA -0.430 44.665 45.100 -0.008 0.000 1.027 941 G HN 0.980 nan 8.290 nan 0.000 0.491 942 T N -1.484 113.063 114.554 -0.012 0.000 2.937 942 T HA 0.753 5.317 4.350 0.357 0.000 0.283 942 T C 0.874 175.570 174.700 -0.006 0.000 1.012 942 T CA -0.665 61.421 62.100 -0.023 0.000 0.997 942 T CB 1.336 70.186 68.868 -0.031 0.000 1.136 942 T HN 0.882 nan 8.240 nan 0.000 0.551 943 L N 1.423 122.631 121.223 -0.025 0.000 2.483 943 L HA 0.282 4.837 4.340 0.357 0.000 0.275 943 L C 0.415 177.350 176.870 0.108 0.000 1.220 943 L CA -0.208 54.642 54.840 0.016 0.000 0.833 943 L CB 0.579 42.566 42.059 -0.120 0.000 1.102 943 L HN 0.729 nan 8.230 nan 0.000 0.490 944 S N 2.848 118.663 115.700 0.191 0.000 2.566 944 S HA 0.370 5.054 4.470 0.357 0.000 0.324 944 S C -2.331 172.430 174.600 0.268 0.000 1.081 944 S CA -1.114 57.197 58.200 0.185 0.000 1.105 944 S CB 1.482 64.760 63.200 0.131 0.000 0.981 944 S HN 0.390 nan 8.310 nan 0.000 0.464 945 P HA 0.142 nan 4.420 nan 0.000 0.275 945 P C -1.320 175.989 177.300 0.014 0.000 1.227 945 P CA -0.283 62.839 63.100 0.037 0.000 0.781 945 P CB 0.461 32.203 31.700 0.069 0.000 0.906 946 Y N 4.612 124.786 120.300 -0.211 0.000 2.331 946 Y HA 0.457 5.221 4.550 0.357 0.000 0.334 946 Y C -2.574 173.261 175.900 -0.109 0.000 0.960 946 Y CA -2.633 55.402 58.100 -0.108 0.000 1.130 946 Y CB 1.608 40.015 38.460 -0.088 0.000 1.164 946 Y HN 0.288 nan 8.280 nan 0.000 0.458 947 P HA 0.193 nan 4.420 nan 0.000 0.275 947 P C 0.377 177.583 177.300 -0.158 0.000 1.266 947 P CA -0.020 62.774 63.100 -0.510 0.000 0.793 947 P CB 0.986 32.450 31.700 -0.394 0.000 1.074 948 T N -0.973 113.536 114.554 -0.075 0.000 2.812 948 T HA -0.082 4.482 4.350 0.357 0.000 0.264 948 T C 0.746 175.486 174.700 0.067 0.000 1.042 948 T CA 1.504 63.614 62.100 0.016 0.000 1.140 948 T CB -0.954 67.940 68.868 0.043 0.000 0.870 948 T HN 0.446 nan 8.240 nan 0.000 0.445 949 N N 2.124 120.900 118.700 0.128 0.000 2.652 949 N HA 0.135 5.089 4.740 0.357 0.000 0.259 949 N C -0.429 175.274 175.510 0.321 0.000 1.240 949 N CA -0.286 52.964 53.050 0.332 0.000 0.951 949 N CB 0.140 38.834 38.487 0.345 0.000 1.281 949 N HN 0.312 nan 8.380 nan 0.000 0.507 950 S N -1.352 114.443 115.700 0.158 0.000 2.475 950 S HA 0.457 5.141 4.470 0.357 0.000 0.298 950 S C 0.023 174.699 174.600 0.126 0.000 1.119 950 S CA -0.904 57.369 58.200 0.121 0.000 1.085 950 S CB 1.516 64.722 63.200 0.010 0.000 1.028 950 S HN -0.113 nan 8.310 nan 0.000 0.489 951 V N 4.619 124.633 119.914 0.167 0.000 2.555 951 V HA 0.256 4.591 4.120 0.357 0.000 0.286 951 V C 1.921 178.070 176.094 0.091 0.000 1.044 951 V CA -0.362 62.024 62.300 0.144 0.000 1.026 951 V CB 0.764 32.706 31.823 0.199 0.000 0.981 951 V HN 1.074 nan 8.190 nan 0.000 0.480 952 R N 3.029 123.576 120.500 0.077 0.000 2.073 952 R HA -0.033 4.521 4.340 0.357 0.000 0.234 952 R C 1.151 177.501 176.300 0.083 0.000 1.134 952 R CA 1.717 57.865 56.100 0.080 0.000 0.952 952 R CB -0.065 30.281 30.300 0.077 0.000 0.850 952 R HN 0.901 nan 8.270 nan 0.000 0.433 953 G N -0.469 108.386 108.800 0.091 0.000 3.366 953 G HA2 0.233 4.408 3.960 0.357 0.000 0.179 953 G HA3 0.233 4.408 3.960 0.357 0.000 0.179 953 G C -1.153 173.795 174.900 0.080 0.000 1.143 953 G CA -0.607 44.541 45.100 0.080 0.000 0.810 953 G HN -0.039 nan 8.290 nan 0.000 0.697 954 K N 0.867 121.314 120.400 0.078 0.000 2.249 954 K HA 0.504 5.038 4.320 0.357 0.000 0.280 954 K C -0.416 176.251 176.600 0.111 0.000 1.033 954 K CA -0.003 56.329 56.287 0.076 0.000 0.946 954 K CB 1.470 34.005 32.500 0.059 0.000 1.005 954 K HN 0.324 nan 8.250 nan 0.000 0.469 955 I N 2.796 123.448 120.570 0.137 0.000 2.648 955 I HA 0.509 4.893 4.170 0.357 0.000 0.304 955 I C -0.094 176.195 176.117 0.286 0.000 1.009 955 I CA -1.153 60.283 61.300 0.226 0.000 1.114 955 I CB 1.672 39.858 38.000 0.309 0.000 1.293 955 I HN 0.437 nan 8.210 nan 0.000 0.449 956 I N 3.218 123.954 120.570 0.276 0.000 2.644 956 I HA 0.625 5.010 4.170 0.357 0.000 0.291 956 I C -0.992 175.168 176.117 0.072 0.000 1.180 956 I CA -0.285 61.153 61.300 0.230 0.000 1.040 956 I CB 1.687 39.766 38.000 0.132 0.000 1.255 956 I HN 0.709 nan 8.210 nan 0.000 0.422 957 A N 7.949 130.701 122.820 -0.114 0.000 2.312 957 A HA 0.820 5.355 4.320 0.357 0.000 0.326 957 A C -0.886 176.652 177.584 -0.077 0.000 1.172 957 A CA -0.526 51.325 52.037 -0.310 0.000 0.821 957 A CB 0.782 19.213 19.000 -0.949 0.000 1.166 957 A HN 0.633 nan 8.150 nan 0.000 0.493 958 I N 1.231 121.793 120.570 -0.013 0.000 2.404 958 I HA 0.544 4.929 4.170 0.357 0.000 0.293 958 I C 0.073 176.216 176.117 0.045 0.000 0.992 958 I CA -0.250 61.086 61.300 0.060 0.000 1.149 958 I CB 2.243 40.325 38.000 0.136 0.000 1.315 958 I HN 0.632 nan 8.210 nan 0.000 0.446 959 T N 4.587 119.162 114.554 0.036 0.000 2.956 959 T HA 0.482 5.046 4.350 0.357 0.000 0.312 959 T C -1.086 173.597 174.700 -0.027 0.000 1.151 959 T CA -0.699 61.407 62.100 0.010 0.000 1.024 959 T CB 1.345 70.231 68.868 0.030 0.000 1.140 959 T HN 0.807 nan 8.240 nan 0.000 0.473 960 N N 1.826 120.466 118.700 -0.101 0.000 3.002 960 N HA 0.356 5.311 4.740 0.357 0.000 0.331 960 N C 0.812 176.204 175.510 -0.197 0.000 1.384 960 N CA -0.756 52.194 53.050 -0.167 0.000 0.780 960 N CB 0.378 38.701 38.487 -0.273 0.000 1.492 960 N HN 0.609 nan 8.380 nan 0.000 0.608 961 E N -0.761 119.240 120.200 -0.332 0.000 2.482 961 E HA -0.129 4.436 4.350 0.357 0.000 0.196 961 E C -0.050 176.326 176.600 -0.373 0.000 1.047 961 E CA 0.779 56.984 56.400 -0.326 0.000 0.869 961 E CB -0.525 28.935 29.700 -0.400 0.000 0.836 961 E HN 0.725 nan 8.360 nan 0.000 0.520 962 Y N 1.082 121.299 120.300 -0.140 0.000 2.532 962 Y HA 0.406 5.170 4.550 0.357 0.000 0.283 962 Y C 0.827 176.660 175.900 -0.111 0.000 1.181 962 Y CA -0.129 57.891 58.100 -0.134 0.000 1.256 962 Y CB 0.678 38.990 38.460 -0.246 0.000 1.112 962 Y HN 0.063 nan 8.280 nan 0.000 0.521 963 A N 0.482 123.311 122.820 0.015 0.000 2.304 963 A HA 0.790 5.324 4.320 0.357 0.000 0.314 963 A C 0.271 177.945 177.584 0.151 0.000 1.187 963 A CA -0.086 51.983 52.037 0.052 0.000 0.810 963 A CB 0.363 19.378 19.000 0.026 0.000 1.183 963 A HN 0.323 nan 8.150 nan 0.000 0.487 964 G N 0.081 108.973 108.800 0.154 0.000 2.975 964 G HA2 0.633 4.807 3.960 0.357 0.000 0.291 964 G HA3 0.633 4.807 3.960 0.357 0.000 0.291 964 G C 0.201 175.340 174.900 0.399 0.000 1.334 964 G CA 0.357 45.704 45.100 0.412 0.000 0.843 964 G HN 1.458 nan 8.290 nan 0.000 0.548 965 S N -0.855 115.261 115.700 0.694 0.000 4.054 965 S HA -0.320 4.364 4.470 0.357 0.000 0.618 965 S C 1.445 176.216 174.600 0.284 0.000 2.026 965 S CA 1.915 60.447 58.200 0.553 0.000 4.205 965 S CB -1.379 62.129 63.200 0.512 0.000 0.233 965 S HN 0.928 nan 8.310 nan 0.000 0.612 966 D N 1.084 121.596 120.400 0.187 0.000 2.221 966 D HA -0.008 4.847 4.640 0.357 0.000 0.204 966 D C 1.866 178.242 176.300 0.127 0.000 0.982 966 D CA 1.850 55.897 54.000 0.078 0.000 0.857 966 D CB -0.889 39.939 40.800 0.046 0.000 0.934 966 D HN 0.529 nan 8.370 nan 0.000 0.475 967 G N -0.064 108.826 108.800 0.149 0.000 2.432 967 G HA2 -0.256 3.918 3.960 0.357 0.000 0.219 967 G HA3 -0.256 3.918 3.960 0.357 0.000 0.219 967 G C 1.466 176.519 174.900 0.254 0.000 1.135 967 G CA 0.792 45.986 45.100 0.156 0.000 0.767 967 G HN 0.245 nan 8.290 nan 0.000 0.550 968 D N 0.638 121.204 120.400 0.276 0.000 2.097 968 D HA -0.055 4.799 4.640 0.357 0.000 0.197 968 D C 2.656 179.147 176.300 0.317 0.000 0.984 968 D CA 0.566 54.746 54.000 0.299 0.000 0.826 968 D CB -0.071 40.918 40.800 0.315 0.000 0.973 968 D HN 0.345 nan 8.370 nan 0.000 0.460 969 I N 0.576 121.279 120.570 0.223 0.000 2.163 969 I HA -0.267 4.117 4.170 0.357 0.000 0.243 969 I C 2.431 178.757 176.117 0.348 0.000 1.085 969 I CA 0.815 62.239 61.300 0.207 0.000 1.347 969 I CB -0.358 37.467 38.000 -0.291 0.000 1.044 969 I HN -0.078 nan 8.210 nan 0.000 0.408 970 F N 1.827 121.848 119.950 0.118 0.000 2.095 970 F HA -0.264 4.477 4.527 0.357 0.000 0.298 970 F C 2.659 178.552 175.800 0.155 0.000 1.104 970 F CA 2.017 60.077 58.000 0.100 0.000 1.232 970 F CB -0.296 38.708 39.000 0.006 0.000 0.987 970 F HN -0.063 nan 8.300 nan 0.000 0.475 971 S N 0.412 116.272 115.700 0.266 0.000 2.356 971 S HA -0.217 4.467 4.470 0.357 0.000 0.223 971 S C 1.820 176.454 174.600 0.056 0.000 1.032 971 S CA 1.484 59.763 58.200 0.133 0.000 1.005 971 S CB -0.971 62.352 63.200 0.207 0.000 0.867 971 S HN 0.517 nan 8.310 nan 0.000 0.449 972 F N 2.419 122.368 119.950 -0.001 0.000 2.102 972 F HA -0.149 4.593 4.527 0.357 0.000 0.298 972 F C 2.533 178.184 175.800 -0.249 0.000 1.105 972 F CA 1.415 59.304 58.000 -0.184 0.000 1.239 972 F CB -0.564 38.202 39.000 -0.391 0.000 0.991 972 F HN 0.082 nan 8.300 nan 0.000 0.474 973 S N 0.377 116.128 115.700 0.086 0.000 2.353 973 S HA -0.242 4.442 4.470 0.357 0.000 0.222 973 S C 1.840 176.349 174.600 -0.152 0.000 1.035 973 S CA 1.485 59.705 58.200 0.034 0.000 1.025 973 S CB -0.967 62.334 63.200 0.168 0.000 0.902 973 S HN 0.493 nan 8.310 nan 0.000 0.440 974 F N 2.442 122.141 119.950 -0.418 0.000 2.087 974 F HA -0.245 4.496 4.527 0.357 0.000 0.299 974 F C 2.081 177.707 175.800 -0.290 0.000 1.100 974 F CA 1.697 59.443 58.000 -0.424 0.000 1.226 974 F CB -0.212 38.458 39.000 -0.550 0.000 0.983 974 F HN 0.092 nan 8.300 nan 0.000 0.479 975 K N -0.114 120.192 120.400 -0.157 0.000 1.984 975 K HA -0.215 4.320 4.320 0.357 0.000 0.209 975 K C 2.062 178.452 176.600 -0.350 0.000 1.046 975 K CA 1.590 57.724 56.287 -0.254 0.000 0.934 975 K CB -0.401 31.928 32.500 -0.286 0.000 0.717 975 K HN 0.007 nan 8.250 nan 0.000 0.438 976 K N 1.545 121.664 120.400 -0.469 0.000 2.144 976 K HA -0.149 4.385 4.320 0.357 0.000 0.209 976 K C 1.550 178.015 176.600 -0.225 0.000 1.047 976 K CA 1.411 57.467 56.287 -0.385 0.000 0.927 976 K CB -0.165 32.104 32.500 -0.384 0.000 0.716 976 K HN 0.112 nan 8.250 nan 0.000 0.454 977 L N -0.950 120.140 121.223 -0.223 0.000 2.592 977 L HA 0.233 4.787 4.340 0.357 0.000 0.227 977 L C 0.976 177.706 176.870 -0.233 0.000 1.127 977 L CA 0.175 54.904 54.840 -0.184 0.000 0.884 977 L CB -0.195 41.766 42.059 -0.163 0.000 1.065 977 L HN 0.469 nan 8.230 nan 0.000 0.457 978 G N 1.006 109.631 108.800 -0.290 0.000 2.323 978 G HA2 -0.293 3.881 3.960 0.357 0.000 0.292 978 G HA3 -0.293 3.881 3.960 0.357 0.000 0.292 978 G C 0.628 175.310 174.900 -0.363 0.000 1.040 978 G CA 0.256 45.185 45.100 -0.284 0.000 0.942 978 G HN 0.342 nan 8.290 nan 0.000 0.506 979 L N -0.542 120.297 121.223 -0.641 0.000 2.478 979 L HA 0.453 5.007 4.340 0.357 0.000 0.223 979 L C 1.772 178.271 176.870 -0.619 0.000 1.140 979 L CA 1.626 56.050 54.840 -0.692 0.000 0.842 979 L CB 0.005 41.486 42.059 -0.964 0.000 0.953 979 L HN 0.908 nan 8.230 nan 0.000 0.452 980 G N -1.974 106.467 108.800 -0.598 0.000 2.343 980 G HA2 0.107 4.281 3.960 0.357 0.000 0.289 980 G HA3 0.107 4.281 3.960 0.357 0.000 0.289 980 G C -1.530 173.429 174.900 0.099 0.000 1.295 980 G CA -0.924 44.111 45.100 -0.109 0.000 0.869 980 G HN -0.321 nan 8.290 nan 0.000 0.522 981 K N -0.608 119.921 120.400 0.216 0.000 2.098 981 K HA 0.665 5.199 4.320 0.357 0.000 0.257 981 K C -0.737 176.030 176.600 0.279 0.000 0.999 981 K CA -0.677 55.728 56.287 0.197 0.000 0.924 981 K CB 1.831 34.412 32.500 0.135 0.000 1.028 981 K HN 0.450 nan 8.250 nan 0.000 0.466 982 L N 2.828 124.160 121.223 0.182 0.000 2.305 982 L HA 0.413 4.967 4.340 0.357 0.000 0.284 982 L C -1.188 175.742 176.870 0.100 0.000 1.013 982 L CA -0.531 54.379 54.840 0.117 0.000 0.819 982 L CB 0.958 43.072 42.059 0.091 0.000 1.227 982 L HN 0.397 nan 8.230 nan 0.000 0.417 983 I N 4.544 125.173 120.570 0.099 0.000 2.530 983 I HA 0.933 5.317 4.170 0.357 0.000 0.297 983 I C 0.647 176.804 176.117 0.068 0.000 1.011 983 I CA 0.278 61.650 61.300 0.119 0.000 1.107 983 I CB 1.588 39.727 38.000 0.231 0.000 1.285 983 I HN 0.766 nan 8.210 nan 0.000 0.436 984 G N 3.364 112.183 108.800 0.031 0.000 2.286 984 G HA2 0.281 4.455 3.960 0.357 0.000 0.118 984 G HA3 0.281 4.455 3.960 0.357 0.000 0.118 984 G C -0.734 174.161 174.900 -0.009 0.000 1.267 984 G CA -0.069 45.040 45.100 0.014 0.000 1.171 984 G HN 0.838 nan 8.290 nan 0.000 0.465 985 T N -1.975 112.567 114.554 -0.020 0.000 2.903 985 T HA 0.704 5.268 4.350 0.357 0.000 0.299 985 T C -0.050 174.618 174.700 -0.053 0.000 1.093 985 T CA -0.135 61.944 62.100 -0.035 0.000 1.002 985 T CB 2.445 71.289 68.868 -0.040 0.000 1.127 985 T HN 0.960 nan 8.240 nan 0.000 0.488 986 R N 1.578 122.034 120.500 -0.073 0.000 2.566 986 R HA 0.257 4.811 4.340 0.357 0.000 0.273 986 R C 0.746 176.993 176.300 -0.087 0.000 0.981 986 R CA 0.521 56.556 56.100 -0.108 0.000 1.091 986 R CB -0.031 30.142 30.300 -0.212 0.000 0.924 986 R HN 0.939 nan 8.270 nan 0.000 0.411 987 T N 1.240 115.773 114.554 -0.034 0.000 2.788 987 T HA 0.028 4.592 4.350 0.357 0.000 0.280 987 T C 0.954 175.742 174.700 0.147 0.000 0.984 987 T CA -0.485 61.651 62.100 0.060 0.000 0.972 987 T CB 0.605 69.552 68.868 0.132 0.000 1.039 987 T HN 0.807 nan 8.240 nan 0.000 0.530 988 W N 2.215 123.546 121.300 0.052 0.000 2.284 988 W HA -0.056 4.818 4.660 0.357 0.000 0.337 988 W C 1.687 178.360 176.519 0.257 0.000 1.322 988 W CA 2.831 60.278 57.345 0.169 0.000 1.245 988 W CB -1.089 28.495 29.460 0.206 0.000 1.141 988 W HN 1.502 nan 8.180 nan 0.000 0.465 989 G N -0.987 107.980 108.800 0.277 0.000 2.392 989 G HA2 0.104 4.278 3.960 0.357 0.000 0.215 989 G HA3 0.104 4.278 3.960 0.357 0.000 0.215 989 G C -0.029 174.888 174.900 0.028 0.000 1.097 989 G CA -0.124 45.041 45.100 0.108 0.000 0.840 989 G HN 1.136 nan 8.290 nan 0.000 0.492 990 G N -0.591 108.186 108.800 -0.038 0.000 3.712 990 G HA2 0.624 4.798 3.960 0.357 0.000 0.327 990 G HA3 0.624 4.798 3.960 0.357 0.000 0.327 990 G C 0.455 175.527 174.900 0.286 0.000 1.566 990 G CA 0.327 45.336 45.100 -0.151 0.000 0.953 990 G HN 1.601 nan 8.290 nan 0.000 0.488 991 V N -0.074 119.943 119.914 0.172 0.000 3.039 991 V HA 0.374 4.708 4.120 0.357 0.000 0.369 991 V C -0.106 175.991 176.094 0.004 0.000 1.344 991 V CA -0.630 61.746 62.300 0.127 0.000 1.270 991 V CB 0.234 32.134 31.823 0.128 0.000 1.284 991 V HN 0.175 nan 8.190 nan 0.000 0.518 992 V N 2.108 121.965 119.914 -0.095 0.000 2.277 992 V HA 0.707 5.041 4.120 0.357 0.000 0.269 992 V C 1.322 177.187 176.094 -0.381 0.000 1.036 992 V CA 0.092 62.259 62.300 -0.221 0.000 0.821 992 V CB 0.432 32.087 31.823 -0.281 0.000 1.052 992 V HN 0.569 nan 8.190 nan 0.000 0.462 993 G N 4.608 113.255 108.800 -0.255 0.000 2.699 993 G HA2 0.536 4.710 3.960 0.357 0.000 0.246 993 G HA3 0.536 4.710 3.960 0.357 0.000 0.246 993 G C -0.319 174.603 174.900 0.037 0.000 1.219 993 G CA -0.185 44.756 45.100 -0.266 0.000 0.866 993 G HN 0.907 nan 8.290 nan 0.000 0.572 994 I N -3.525 117.051 120.570 0.010 0.000 2.969 994 I HA 0.775 5.159 4.170 0.357 0.000 0.307 994 I C -0.922 175.238 176.117 0.071 0.000 1.149 994 I CA -0.954 60.433 61.300 0.145 0.000 1.008 994 I CB 2.717 40.739 38.000 0.036 0.000 1.232 994 I HN 0.342 nan 8.210 nan 0.000 0.435 995 T N 3.547 118.198 114.554 0.163 0.000 3.233 995 T HA 0.335 4.899 4.350 0.357 0.000 0.324 995 T C -2.590 172.150 174.700 0.067 0.000 0.992 995 T CA -0.536 61.587 62.100 0.037 0.000 1.414 995 T CB 0.591 69.438 68.868 -0.035 0.000 0.935 995 T HN 0.580 nan 8.240 nan 0.000 0.544 996 P HA 0.207 nan 4.420 nan 0.000 0.266 996 P C 0.061 177.402 177.300 0.069 0.000 1.195 996 P CA -0.194 62.939 63.100 0.054 0.000 0.768 996 P CB 0.972 32.698 31.700 0.043 0.000 0.838 997 K N 1.319 121.791 120.400 0.120 0.000 2.562 997 K HA 0.307 4.842 4.320 0.357 0.000 0.201 997 K C 0.409 177.213 176.600 0.340 0.000 1.131 997 K CA -0.596 55.807 56.287 0.193 0.000 1.059 997 K CB 1.099 33.669 32.500 0.116 0.000 0.913 997 K HN 0.287 nan 8.250 nan 0.000 0.563 998 R N 1.446 122.079 120.500 0.222 0.000 2.604 998 R HA 0.329 4.883 4.340 0.357 0.000 0.270 998 R C -1.623 174.725 176.300 0.080 0.000 1.052 998 R CA -0.633 55.559 56.100 0.152 0.000 0.902 998 R CB 1.610 32.005 30.300 0.158 0.000 1.233 998 R HN 0.311 nan 8.270 nan 0.000 0.455 999 R N 3.492 124.021 120.500 0.047 0.000 2.919 999 R HA 0.536 5.090 4.340 0.357 0.000 0.260 999 R C -0.592 175.727 176.300 0.031 0.000 1.067 999 R CA -1.022 55.108 56.100 0.050 0.000 1.003 999 R CB 1.027 31.367 30.300 0.068 0.000 1.192 999 R HN 0.253 nan 8.270 nan 0.000 0.488 1000 L N 2.122 123.372 121.223 0.046 0.000 2.436 1000 L HA 0.215 4.770 4.340 0.357 0.000 0.265 1000 L C 2.028 178.923 176.870 0.043 0.000 1.168 1000 L CA -0.506 54.355 54.840 0.034 0.000 0.815 1000 L CB 0.673 42.758 42.059 0.042 0.000 1.109 1000 L HN 0.788 nan 8.230 nan 0.000 0.462 1001 I N -1.241 119.335 120.570 0.011 0.000 2.761 1001 I HA -0.241 4.143 4.170 0.357 0.000 0.266 1001 I C 1.238 177.359 176.117 0.006 0.000 1.239 1001 I CA 1.455 62.754 61.300 -0.003 0.000 1.451 1001 I CB -0.475 37.492 38.000 -0.056 0.000 1.096 1001 I HN 0.788 nan 8.210 nan 0.000 0.465 1002 D N 0.607 121.031 120.400 0.040 0.000 2.363 1002 D HA 0.170 5.025 4.640 0.357 0.000 0.214 1002 D C 1.572 178.092 176.300 0.367 0.000 1.093 1002 D CA 0.499 54.560 54.000 0.103 0.000 0.837 1002 D CB 0.486 41.291 40.800 0.008 0.000 0.948 1002 D HN 0.499 nan 8.370 nan 0.000 0.507 1003 G N 0.116 109.071 108.800 0.258 0.000 2.213 1003 G HA2 -0.269 3.906 3.960 0.357 0.000 0.236 1003 G HA3 -0.269 3.906 3.960 0.357 0.000 0.236 1003 G C 0.510 175.500 174.900 0.150 0.000 0.991 1003 G CA 0.186 45.411 45.100 0.207 0.000 0.629 1003 G HN 0.427 nan 8.290 nan 0.000 0.517 1004 T N 1.115 115.756 114.554 0.146 0.000 2.905 1004 T HA 0.364 4.928 4.350 0.357 0.000 0.299 1004 T C 0.432 175.194 174.700 0.103 0.000 1.024 1004 T CA 0.686 62.867 62.100 0.136 0.000 1.151 1004 T CB 1.800 70.740 68.868 0.121 0.000 0.987 1004 T HN 0.626 nan 8.240 nan 0.000 0.535 1005 V N 6.076 126.049 119.914 0.098 0.000 2.313 1005 V HA 0.339 4.673 4.120 0.357 0.000 0.278 1005 V C 0.217 176.355 176.094 0.073 0.000 1.017 1005 V CA -0.638 61.708 62.300 0.076 0.000 0.823 1005 V CB 0.676 32.536 31.823 0.063 0.000 1.010 1005 V HN 0.687 nan 8.190 nan 0.000 0.443 1006 L N 4.361 125.621 121.223 0.060 0.000 2.399 1006 L HA 0.734 5.289 4.340 0.357 0.000 0.265 1006 L C 0.649 177.539 176.870 0.033 0.000 1.089 1006 L CA -0.195 54.673 54.840 0.048 0.000 0.802 1006 L CB 1.940 44.013 42.059 0.024 0.000 1.180 1006 L HN 0.737 nan 8.230 nan 0.000 0.454 1007 T N -0.730 113.834 114.554 0.016 0.000 2.907 1007 T HA 0.717 5.282 4.350 0.357 0.000 0.292 1007 T C -0.777 173.875 174.700 -0.081 0.000 1.043 1007 T CA -0.934 61.156 62.100 -0.016 0.000 1.003 1007 T CB 2.111 70.973 68.868 -0.010 0.000 1.084 1007 T HN 0.444 nan 8.240 nan 0.000 0.483 1008 Q N 1.973 121.721 119.800 -0.086 0.000 2.285 1008 Q HA 0.452 5.006 4.340 0.357 0.000 0.269 1008 Q C -2.842 173.101 176.000 -0.096 0.000 1.030 1008 Q CA -2.058 53.667 55.803 -0.129 0.000 0.788 1008 Q CB 2.292 30.935 28.738 -0.157 0.000 1.266 1008 Q HN 0.507 nan 8.270 nan 0.000 0.438 1009 P HA -0.092 nan 4.420 nan 0.000 0.258 1009 P C -0.464 176.753 177.300 -0.139 0.000 1.214 1009 P CA 0.583 63.638 63.100 -0.076 0.000 0.872 1009 P CB 0.695 32.393 31.700 -0.005 0.000 0.890 1010 E N 2.299 122.376 120.200 -0.206 0.000 2.490 1010 E HA 0.108 4.673 4.350 0.357 0.000 0.209 1010 E C -0.496 175.596 176.600 -0.846 0.000 0.971 1010 E CA 0.010 56.095 56.400 -0.526 0.000 0.988 1010 E CB 0.296 29.585 29.700 -0.685 0.000 1.029 1010 E HN 0.317 nan 8.360 nan 0.000 0.496 1011 F N 0.925 120.817 119.950 -0.096 0.000 2.564 1011 F HA 0.465 5.206 4.527 0.356 0.000 0.368 1011 F C -0.147 175.563 175.800 -0.150 0.000 1.127 1011 F CA -0.972 56.981 58.000 -0.078 0.000 1.170 1011 F CB 1.232 40.190 39.000 -0.071 0.000 1.397 1011 F HN -0.107 nan 8.300 nan 0.000 0.493 1012 A N 2.825 125.546 122.820 -0.165 0.000 2.451 1012 A HA 0.323 4.857 4.320 0.357 0.000 0.266 1012 A C -0.683 176.898 177.584 -0.005 0.000 1.119 1012 A CA -0.110 51.698 52.037 -0.382 0.000 0.786 1012 A CB -0.200 18.038 19.000 -1.270 0.000 1.061 1012 A HN 0.569 nan 8.150 nan 0.000 0.503 1013 F N 3.036 122.928 119.950 -0.097 0.000 2.427 1013 F HA 0.449 5.189 4.527 0.356 0.000 0.352 1013 F C -0.218 175.508 175.800 -0.124 0.000 1.100 1013 F CA -0.369 57.565 58.000 -0.111 0.000 1.191 1013 F CB 0.686 39.564 39.000 -0.203 0.000 1.128 1013 F HN 0.656 nan 8.300 nan 0.000 0.533 1014 W N 8.805 129.442 121.300 -1.105 0.000 2.336 1014 W HA 0.427 5.301 4.660 0.357 0.000 0.315 1014 W C -1.775 174.184 176.519 -0.934 0.000 1.016 1014 W CA -1.150 55.587 57.345 -1.013 0.000 1.318 1014 W CB 0.528 29.431 29.460 -0.929 0.000 1.247 1014 W HN 0.369 nan 8.180 nan 0.000 0.414 1015 F N 5.605 124.880 119.950 -1.124 0.000 2.427 1015 F HA 0.310 5.052 4.527 0.358 0.000 0.352 1015 F C 1.352 176.307 175.800 -1.408 0.000 1.100 1015 F CA -0.764 56.676 58.000 -0.934 0.000 1.191 1015 F CB 0.764 39.276 39.000 -0.814 0.000 1.128 1015 F HN 0.227 nan 8.300 nan 0.000 0.533 1016 R N 3.687 123.767 120.500 -0.701 0.000 2.570 1016 R HA -0.006 4.548 4.340 0.357 0.000 0.277 1016 R C -0.344 175.721 176.300 -0.393 0.000 1.039 1016 R CA 0.178 55.845 56.100 -0.722 0.000 1.065 1016 R CB 0.168 30.422 30.300 -0.077 0.000 0.964 1016 R HN 0.797 nan 8.270 nan 0.000 0.428 1017 D N 1.840 122.043 120.400 -0.328 0.000 2.907 1017 D HA -0.233 4.622 4.640 0.357 0.000 0.226 1017 D C -0.164 176.041 176.300 -0.159 0.000 1.141 1017 D CA 1.394 55.308 54.000 -0.143 0.000 0.779 1017 D CB -1.280 39.492 40.800 -0.046 0.000 1.095 1017 D HN 0.658 nan 8.370 nan 0.000 0.430 1018 A N -1.790 120.831 122.820 -0.332 0.000 2.590 1018 A HA 0.559 5.093 4.320 0.357 0.000 0.153 1018 A C 1.535 178.890 177.584 -0.382 0.000 1.705 1018 A CA 1.171 53.042 52.037 -0.277 0.000 1.228 1018 A CB 0.030 18.852 19.000 -0.298 0.000 1.463 1018 A HN 1.351 nan 8.150 nan 0.000 0.425 1019 G N 0.166 108.512 108.800 -0.756 0.000 2.574 1019 G HA2 -0.305 3.870 3.960 0.357 0.000 0.286 1019 G HA3 -0.305 3.870 3.960 0.357 0.000 0.286 1019 G C 0.355 174.831 174.900 -0.706 0.000 1.212 1019 G CA 0.725 45.299 45.100 -0.877 0.000 0.979 1019 G HN 0.798 nan 8.290 nan 0.000 0.557 1020 F N 2.752 122.656 119.950 -0.076 0.000 2.773 1020 F HA 0.347 5.088 4.527 0.357 0.000 0.304 1020 F C 2.566 178.347 175.800 -0.033 0.000 1.129 1020 F CA 0.741 58.705 58.000 -0.061 0.000 1.378 1020 F CB -0.273 38.699 39.000 -0.045 0.000 1.095 1020 F HN 0.616 nan 8.300 nan 0.000 0.565 1021 G N 0.814 109.656 108.800 0.070 0.000 2.545 1021 G HA2 -0.296 3.878 3.960 0.357 0.000 0.222 1021 G HA3 -0.296 3.878 3.960 0.357 0.000 0.222 1021 G C 1.772 176.738 174.900 0.111 0.000 1.126 1021 G CA 1.610 46.739 45.100 0.049 0.000 0.754 1021 G HN 0.292 nan 8.290 nan 0.000 0.583 1022 V N 0.885 120.860 119.914 0.102 0.000 2.392 1022 V HA -0.064 4.270 4.120 0.357 0.000 0.249 1022 V C 1.452 177.684 176.094 0.229 0.000 1.059 1022 V CA 1.446 63.862 62.300 0.194 0.000 1.051 1022 V CB -0.535 31.397 31.823 0.182 0.000 0.658 1022 V HN 0.517 nan 8.190 nan 0.000 0.455 1023 E N 1.220 121.538 120.200 0.197 0.000 2.414 1023 E HA -0.054 4.510 4.350 0.357 0.000 0.263 1023 E C 0.726 177.479 176.600 0.253 0.000 1.000 1023 E CA 0.613 57.134 56.400 0.201 0.000 0.914 1023 E CB -0.656 29.123 29.700 0.132 0.000 0.948 1023 E HN 0.422 nan 8.360 nan 0.000 0.444 1024 N N 2.737 121.635 118.700 0.329 0.000 2.747 1024 N HA -0.323 4.631 4.740 0.357 0.000 0.249 1024 N C -0.823 174.760 175.510 0.121 0.000 1.107 1024 N CA 0.812 54.024 53.050 0.269 0.000 0.707 1024 N CB -0.580 38.092 38.487 0.309 0.000 1.054 1024 N HN 0.657 nan 8.380 nan 0.000 0.555 1025 Y N -1.287 119.003 120.300 -0.016 0.000 3.213 1025 Y HA 0.352 5.116 4.550 0.357 0.000 0.208 1025 Y C 0.983 176.882 175.900 -0.002 0.000 1.044 1025 Y CA 2.070 60.141 58.100 -0.048 0.000 1.520 1025 Y CB 0.387 38.848 38.460 0.002 0.000 1.447 1025 Y HN 0.281 nan 8.280 nan 0.000 0.393 1026 G N 0.830 109.620 108.800 -0.017 0.000 2.428 1026 G HA2 0.054 4.228 3.960 0.357 0.000 0.202 1026 G HA3 0.054 4.228 3.960 0.357 0.000 0.202 1026 G C -1.798 173.139 174.900 0.060 0.000 1.247 1026 G CA -0.540 44.543 45.100 -0.028 0.000 1.020 1026 G HN 0.656 nan 8.290 nan 0.000 0.529 1027 V N 1.008 120.954 119.914 0.053 0.000 2.540 1027 V HA 0.534 4.868 4.120 0.357 0.000 0.302 1027 V C -0.810 175.315 176.094 0.051 0.000 1.035 1027 V CA -0.907 61.480 62.300 0.144 0.000 0.873 1027 V CB 1.869 33.812 31.823 0.200 0.000 0.992 1027 V HN 0.688 nan 8.190 nan 0.000 0.428 1028 D N 6.079 126.538 120.400 0.098 0.000 2.277 1028 D HA 0.331 5.186 4.640 0.357 0.000 0.249 1028 D C -2.320 173.999 176.300 0.032 0.000 1.134 1028 D CA -0.975 53.059 54.000 0.057 0.000 0.863 1028 D CB 2.087 42.955 40.800 0.113 0.000 1.143 1028 D HN 0.327 nan 8.370 nan 0.000 0.458 1029 P HA 0.135 nan 4.420 nan 0.000 0.278 1029 P C 0.252 177.565 177.300 0.021 0.000 1.238 1029 P CA -0.416 62.697 63.100 0.022 0.000 0.794 1029 P CB 1.577 33.289 31.700 0.019 0.000 0.955 1030 D N 0.374 120.794 120.400 0.032 0.000 2.149 1030 D HA -0.061 4.794 4.640 0.357 0.000 0.198 1030 D C 0.528 176.848 176.300 0.033 0.000 0.990 1030 D CA 1.587 55.606 54.000 0.032 0.000 0.839 1030 D CB 0.110 40.939 40.800 0.048 0.000 0.948 1030 D HN 0.153 nan 8.370 nan 0.000 0.460 1031 V N 0.814 120.752 119.914 0.039 0.000 2.531 1031 V HA 0.172 4.506 4.120 0.357 0.000 0.301 1031 V C -0.076 175.982 176.094 -0.060 0.000 1.034 1031 V CA -0.916 61.377 62.300 -0.012 0.000 0.865 1031 V CB 2.482 34.319 31.823 0.022 0.000 0.995 1031 V HN -0.080 nan 8.190 nan 0.000 0.424 1032 E N 4.084 124.232 120.200 -0.086 0.000 2.130 1032 E HA 0.509 5.073 4.350 0.357 0.000 0.284 1032 E C -1.486 175.036 176.600 -0.132 0.000 1.018 1032 E CA -0.597 55.757 56.400 -0.077 0.000 0.817 1032 E CB 1.075 30.748 29.700 -0.045 0.000 1.078 1032 E HN 0.570 nan 8.360 nan 0.000 0.396 1033 I N 5.222 125.720 120.570 -0.119 0.000 2.437 1033 I HA 0.121 4.505 4.170 0.357 0.000 0.279 1033 I C 0.161 176.242 176.117 -0.061 0.000 1.028 1033 I CA -0.411 60.802 61.300 -0.145 0.000 1.142 1033 I CB 1.316 39.198 38.000 -0.196 0.000 1.266 1033 I HN 0.462 nan 8.210 nan 0.000 0.461 1034 E N 3.442 123.634 120.200 -0.014 0.000 2.409 1034 E HA 0.004 4.569 4.350 0.357 0.000 0.257 1034 E C -0.972 175.633 176.600 0.008 0.000 1.150 1034 E CA 0.076 56.514 56.400 0.063 0.000 0.942 1034 E CB 1.030 30.836 29.700 0.177 0.000 0.979 1034 E HN 0.334 nan 8.360 nan 0.000 0.447 1035 Y N 0.570 120.812 120.300 -0.097 0.000 2.658 1035 Y HA 0.338 5.102 4.550 0.357 0.000 0.362 1035 Y C -0.134 175.575 175.900 -0.318 0.000 1.017 1035 Y CA -0.864 57.102 58.100 -0.223 0.000 1.134 1035 Y CB 0.082 38.442 38.460 -0.167 0.000 1.144 1035 Y HN 0.507 nan 8.280 nan 0.000 0.655 1036 A N 3.759 126.421 122.820 -0.263 0.000 2.448 1036 A HA 0.244 4.779 4.320 0.357 0.000 0.239 1036 A C -1.464 175.799 177.584 -0.535 0.000 1.080 1036 A CA -0.866 50.738 52.037 -0.721 0.000 0.779 1036 A CB 0.131 18.591 19.000 -0.899 0.000 1.026 1036 A HN 0.517 nan 8.150 nan 0.000 0.499 1037 P HA -0.173 nan 4.420 nan 0.000 0.218 1037 P C 0.728 177.845 177.300 -0.305 0.000 1.148 1037 P CA 2.027 64.789 63.100 -0.564 0.000 0.822 1037 P CB -0.165 30.804 31.700 -1.219 0.000 0.784 1038 H N -2.359 116.652 119.070 -0.099 0.000 2.462 1038 H HA 0.007 4.778 4.556 0.357 0.000 0.292 1038 H C 1.411 176.774 175.328 0.060 0.000 1.049 1038 H CA 1.028 57.128 56.048 0.087 0.000 1.334 1038 H CB -1.394 28.508 29.762 0.233 0.000 1.404 1038 H HN 0.101 nan 8.280 nan 0.000 0.544 1039 D N 0.497 120.847 120.400 -0.083 0.000 2.144 1039 D HA -0.147 4.708 4.640 0.357 0.000 0.200 1039 D C 1.362 177.654 176.300 -0.013 0.000 0.978 1039 D CA 1.165 55.127 54.000 -0.062 0.000 0.833 1039 D CB -0.177 40.470 40.800 -0.255 0.000 0.961 1039 D HN 0.477 nan 8.370 nan 0.000 0.470 1040 Y N 1.040 121.370 120.300 0.050 0.000 2.263 1040 Y HA -0.028 4.737 4.550 0.357 0.000 0.292 1040 Y C 2.527 178.424 175.900 -0.004 0.000 1.130 1040 Y CA 0.409 58.519 58.100 0.016 0.000 1.179 1040 Y CB -0.310 38.060 38.460 -0.149 0.000 0.998 1040 Y HN -0.104 nan 8.280 nan 0.000 0.532 1041 L N -0.492 120.817 121.223 0.144 0.000 2.191 1041 L HA -0.192 4.362 4.340 0.357 0.000 0.212 1041 L C 2.281 179.213 176.870 0.103 0.000 1.103 1041 L CA 1.606 56.514 54.840 0.112 0.000 0.769 1041 L CB -0.563 41.577 42.059 0.135 0.000 0.908 1041 L HN 0.276 nan 8.230 nan 0.000 0.438 1042 S N -0.896 114.864 115.700 0.101 0.000 2.558 1042 S HA 0.126 4.811 4.470 0.357 0.000 0.217 1042 S C 1.462 176.091 174.600 0.049 0.000 0.975 1042 S CA 0.289 58.534 58.200 0.075 0.000 0.912 1042 S CB 0.253 63.499 63.200 0.077 0.000 0.776 1042 S HN 0.486 nan 8.310 nan 0.000 0.526 1043 G N 1.361 110.193 108.800 0.053 0.000 2.246 1043 G HA2 -0.285 3.889 3.960 0.357 0.000 0.273 1043 G HA3 -0.285 3.889 3.960 0.357 0.000 0.273 1043 G C -0.263 174.630 174.900 -0.012 0.000 1.055 1043 G CA 0.533 45.654 45.100 0.035 0.000 0.851 1043 G HN 0.775 nan 8.290 nan 0.000 0.500 1044 K N -0.022 120.354 120.400 -0.039 0.000 2.316 1044 K HA 0.484 5.018 4.320 0.357 0.000 0.251 1044 K C -1.482 174.983 176.600 -0.225 0.000 0.934 1044 K CA -0.970 55.251 56.287 -0.111 0.000 0.802 1044 K CB 1.322 33.771 32.500 -0.085 0.000 1.171 1044 K HN -0.012 nan 8.250 nan 0.000 0.426 1045 D N 5.697 125.932 120.400 -0.275 0.000 2.485 1045 D HA 0.176 5.030 4.640 0.357 0.000 0.229 1045 D C -1.562 174.474 176.300 -0.440 0.000 1.101 1045 D CA -2.412 51.329 54.000 -0.432 0.000 0.906 1045 D CB 1.524 42.215 40.800 -0.183 0.000 1.019 1045 D HN 0.321 nan 8.370 nan 0.000 0.516 1046 P HA -0.154 nan 4.420 nan 0.000 0.222 1046 P C 1.055 178.232 177.300 -0.206 0.000 1.147 1046 P CA 0.963 63.854 63.100 -0.348 0.000 0.790 1046 P CB 0.704 32.165 31.700 -0.397 0.000 0.780 1047 Q N -0.493 119.147 119.800 -0.267 0.000 2.062 1047 Q HA 0.008 4.562 4.340 0.357 0.000 0.196 1047 Q C 2.391 178.425 176.000 0.056 0.000 0.967 1047 Q CA 0.820 56.593 55.803 -0.050 0.000 0.832 1047 Q CB -0.394 28.345 28.738 0.002 0.000 0.899 1047 Q HN 0.211 nan 8.270 nan 0.000 0.442 1048 I N 0.712 121.297 120.570 0.025 0.000 2.546 1048 I HA -0.234 4.150 4.170 0.357 0.000 0.255 1048 I C 1.093 177.260 176.117 0.083 0.000 1.163 1048 I CA 0.906 62.246 61.300 0.067 0.000 1.457 1048 I CB 0.134 38.137 38.000 0.006 0.000 1.092 1048 I HN 0.180 nan 8.210 nan 0.000 0.434 1049 D N 0.049 120.486 120.400 0.061 0.000 2.097 1049 D HA -0.245 4.609 4.640 0.357 0.000 0.197 1049 D C 1.828 178.182 176.300 0.089 0.000 0.984 1049 D CA 1.321 55.378 54.000 0.096 0.000 0.826 1049 D CB -0.392 40.445 40.800 0.063 0.000 0.973 1049 D HN 0.373 nan 8.370 nan 0.000 0.460 1050 Y N 1.697 121.992 120.300 -0.010 0.000 2.128 1050 Y HA -0.243 4.521 4.550 0.357 0.000 0.284 1050 Y C 2.211 178.122 175.900 0.019 0.000 1.154 1050 Y CA 1.856 59.956 58.100 -0.001 0.000 1.149 1050 Y CB -0.587 37.866 38.460 -0.013 0.000 0.976 1050 Y HN -0.044 nan 8.280 nan 0.000 0.505 1051 A N 0.484 123.324 122.820 0.034 0.000 1.892 1051 A HA -0.231 4.303 4.320 0.357 0.000 0.218 1051 A C 2.343 179.885 177.584 -0.069 0.000 1.188 1051 A CA 2.332 54.358 52.037 -0.018 0.000 0.631 1051 A CB -1.239 17.816 19.000 0.092 0.000 0.822 1051 A HN 0.584 nan 8.150 nan 0.000 0.447 1052 I N -0.239 120.315 120.570 -0.026 0.000 2.142 1052 I HA -0.229 4.155 4.170 0.357 0.000 0.240 1052 I C 1.878 177.947 176.117 -0.080 0.000 1.078 1052 I CA 1.586 62.865 61.300 -0.035 0.000 1.343 1052 I CB -0.592 37.395 38.000 -0.022 0.000 1.046 1052 I HN 0.252 nan 8.210 nan 0.000 0.405 1053 D N 1.180 121.518 120.400 -0.104 0.000 2.178 1053 D HA -0.136 4.718 4.640 0.357 0.000 0.201 1053 D C 2.226 178.416 176.300 -0.185 0.000 0.980 1053 D CA 1.509 55.438 54.000 -0.119 0.000 0.842 1053 D CB -0.155 40.592 40.800 -0.088 0.000 0.948 1053 D HN 0.366 nan 8.370 nan 0.000 0.472 1054 A N 0.680 123.304 122.820 -0.328 0.000 1.898 1054 A HA -0.082 4.452 4.320 0.357 0.000 0.216 1054 A C 2.368 179.857 177.584 -0.159 0.000 1.181 1054 A CA 0.703 52.531 52.037 -0.348 0.000 0.620 1054 A CB -0.677 17.978 19.000 -0.576 0.000 0.819 1054 A HN 0.183 nan 8.150 nan 0.000 0.442 1055 L N -0.477 120.681 121.223 -0.108 0.000 2.056 1055 L HA -0.155 4.399 4.340 0.357 0.000 0.207 1055 L C 2.434 179.287 176.870 -0.029 0.000 1.078 1055 L CA 1.162 55.978 54.840 -0.039 0.000 0.749 1055 L CB -0.475 41.581 42.059 -0.006 0.000 0.901 1055 L HN 0.401 nan 8.230 nan 0.000 0.433 1056 I N -0.234 120.312 120.570 -0.041 0.000 2.264 1056 I HA -0.310 4.074 4.170 0.357 0.000 0.248 1056 I C 2.538 178.639 176.117 -0.027 0.000 1.111 1056 I CA 1.203 62.486 61.300 -0.028 0.000 1.382 1056 I CB -0.268 37.710 38.000 -0.036 0.000 1.060 1056 I HN 0.273 nan 8.210 nan 0.000 0.418 1057 E N 1.539 121.713 120.200 -0.042 0.000 2.051 1057 E HA -0.233 4.331 4.350 0.357 0.000 0.192 1057 E C 1.982 178.571 176.600 -0.019 0.000 0.991 1057 E CA 1.597 57.977 56.400 -0.032 0.000 0.799 1057 E CB -0.092 29.581 29.700 -0.045 0.000 0.748 1057 E HN 0.440 nan 8.360 nan 0.000 0.449 1058 E N -0.777 119.412 120.200 -0.019 0.000 2.204 1058 E HA -0.109 4.455 4.350 0.357 0.000 0.194 1058 E C 0.807 177.410 176.600 0.004 0.000 0.989 1058 E CA 0.382 56.779 56.400 -0.005 0.000 0.824 1058 E CB 0.052 29.753 29.700 0.001 0.000 0.756 1058 E HN 0.183 nan 8.360 nan 0.000 0.477 1059 L N 0.840 122.066 121.223 0.004 0.000 2.672 1059 L HA 0.030 4.584 4.340 0.357 0.000 0.236 1059 L C 1.559 178.433 176.870 0.007 0.000 1.186 1059 L CA 0.591 55.438 54.840 0.012 0.000 0.977 1059 L CB -0.075 41.995 42.059 0.019 0.000 1.203 1059 L HN -0.070 nan 8.230 nan 0.000 0.448 1060 R N -0.869 119.632 120.500 0.002 0.000 2.223 1060 R HA 0.194 4.748 4.340 0.357 0.000 0.198 1060 R C 0.545 176.847 176.300 0.003 0.000 0.984 1060 R CA 0.015 56.115 56.100 0.001 0.000 1.018 1060 R CB -0.149 30.150 30.300 -0.002 0.000 0.945 1060 R HN 0.416 nan 8.270 nan 0.000 0.479 1061 N N 0.000 118.703 118.700 0.005 0.000 1.763 1061 N HA 0.000 4.954 4.740 0.357 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.006 0.000 0.885 1061 N CB 0.000 38.492 38.487 0.008 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667