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_D 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 -0.045 0.000 1.302 40 P HA 0.367 nan 4.420 nan 0.000 0.276 40 P C -0.938 176.329 177.300 -0.056 0.000 1.261 40 P CA -0.186 62.878 63.100 -0.060 0.000 0.800 40 P CB 0.906 32.563 31.700 -0.071 0.000 1.066 41 N N -0.461 118.195 118.700 -0.074 0.000 2.495 41 N HA 0.449 5.194 4.740 0.007 0.000 0.294 41 N C -0.740 174.733 175.510 -0.062 0.000 1.276 41 N CA -0.451 52.564 53.050 -0.058 0.000 0.973 41 N CB -0.078 38.358 38.487 -0.085 0.000 1.143 41 N HN 0.283 nan 8.380 nan 0.000 0.589 42 L N 1.134 122.337 121.223 -0.034 0.000 2.301 42 L HA 0.467 4.811 4.340 0.007 0.000 0.278 42 L C -1.485 175.378 176.870 -0.012 0.000 1.022 42 L CA -0.222 54.595 54.840 -0.038 0.000 0.854 42 L CB 0.025 42.071 42.059 -0.021 0.000 1.226 42 L HN 0.348 nan 8.230 nan 0.000 0.429 43 L N 5.825 127.018 121.223 -0.049 0.000 2.379 43 L HA 0.729 5.073 4.340 0.007 0.000 0.269 43 L C -0.710 176.173 176.870 0.022 0.000 1.084 43 L CA -0.841 53.994 54.840 -0.008 0.000 0.802 43 L CB 1.250 43.171 42.059 -0.231 0.000 1.175 43 L HN 0.563 nan 8.230 nan 0.000 0.448 44 L N -1.046 120.246 121.223 0.116 0.000 2.947 44 L HA 0.371 4.716 4.340 0.007 0.000 0.267 44 L C -0.626 176.282 176.870 0.063 0.000 1.004 44 L CA -1.027 53.860 54.840 0.078 0.000 0.937 44 L CB 1.336 43.432 42.059 0.062 0.000 1.496 44 L HN 0.610 nan 8.230 nan 0.000 0.409 45 N N -0.545 118.111 118.700 -0.073 0.000 2.667 45 N HA -0.144 4.601 4.740 0.007 0.000 0.263 45 N C -2.529 172.896 175.510 -0.142 0.000 1.038 45 N CA 0.512 53.234 53.050 -0.547 0.000 0.749 45 N CB -1.044 36.966 38.487 -0.796 0.000 0.892 45 N HN 0.717 nan 8.380 nan 0.000 0.546 46 P HA 0.327 nan 4.420 nan 0.000 0.280 46 P C -0.713 176.838 177.300 0.418 0.000 1.272 46 P CA 0.201 63.491 63.100 0.317 0.000 0.819 46 P CB 1.364 33.211 31.700 0.244 0.000 1.122 47 D N -0.437 120.198 120.400 0.391 0.000 2.756 47 D HA 0.528 5.173 4.640 0.007 0.000 0.226 47 D C -1.398 175.212 176.300 0.517 0.000 1.186 47 D CA -0.619 53.642 54.000 0.436 0.000 0.845 47 D CB 1.636 42.677 40.800 0.402 0.000 1.610 47 D HN 0.253 nan 8.370 nan 0.000 0.465 48 I N 1.834 122.680 120.570 0.459 0.000 2.846 48 I HA 0.605 4.780 4.170 0.007 0.000 0.307 48 I C -1.580 174.645 176.117 0.179 0.000 1.053 48 I CA -0.776 60.725 61.300 0.335 0.000 1.050 48 I CB 1.744 39.860 38.000 0.194 0.000 1.239 48 I HN 0.542 nan 8.210 nan 0.000 0.439 49 H N 4.761 123.719 119.070 -0.188 0.000 3.288 49 H HA 0.442 5.002 4.556 0.007 0.000 0.337 49 H C -0.121 175.043 175.328 -0.273 0.000 1.363 49 H CA 0.464 56.253 56.048 -0.431 0.000 1.641 49 H CB 0.546 29.595 29.762 -1.188 0.000 2.077 49 H HN 0.955 nan 8.280 nan 0.000 0.522 50 G N 3.660 112.242 108.800 -0.363 0.000 2.543 50 G HA2 -0.376 3.589 3.960 0.007 0.000 0.286 50 G HA3 -0.376 3.589 3.960 0.007 0.000 0.286 50 G C 0.703 175.559 174.900 -0.072 0.000 1.153 50 G CA 0.631 45.600 45.100 -0.217 0.000 0.968 50 G HN 0.568 nan 8.290 nan 0.000 0.544 51 D N 1.487 121.877 120.400 -0.016 0.000 2.327 51 D HA 0.097 4.741 4.640 0.007 0.000 0.205 51 D C 1.565 177.929 176.300 0.106 0.000 0.989 51 D CA 0.331 54.355 54.000 0.041 0.000 0.873 51 D CB 0.089 40.915 40.800 0.044 0.000 0.955 51 D HN 0.390 nan 8.370 nan 0.000 0.515 52 R N 0.670 121.236 120.500 0.111 0.000 2.539 52 R HA 0.499 4.843 4.340 0.007 0.000 0.275 52 R C 0.046 176.523 176.300 0.296 0.000 1.077 52 R CA 0.123 56.351 56.100 0.213 0.000 1.097 52 R CB 1.417 31.851 30.300 0.224 0.000 1.018 52 R HN -0.042 nan 8.270 nan 0.000 0.483 53 I N 4.699 125.521 120.570 0.420 0.000 2.529 53 I HA 0.241 4.415 4.170 0.007 0.000 0.284 53 I C 0.024 176.471 176.117 0.550 0.000 1.088 53 I CA -0.649 60.932 61.300 0.468 0.000 1.062 53 I CB 1.589 39.773 38.000 0.306 0.000 1.218 53 I HN 0.530 nan 8.210 nan 0.000 0.442 54 I N 4.224 125.100 120.570 0.511 0.000 2.499 54 I HA 0.767 4.942 4.170 0.007 0.000 0.296 54 I C -0.818 175.519 176.117 0.367 0.000 0.992 54 I CA -0.216 61.253 61.300 0.281 0.000 1.297 54 I CB 1.362 39.319 38.000 -0.072 0.000 1.410 54 I HN 0.503 nan 8.210 nan 0.000 0.507 55 F N 2.703 122.737 119.950 0.141 0.000 2.741 55 F HA 0.760 5.291 4.527 0.007 0.000 0.313 55 F C -1.742 174.136 175.800 0.131 0.000 1.153 55 F CA -1.195 56.867 58.000 0.103 0.000 0.931 55 F CB 0.908 39.946 39.000 0.063 0.000 1.335 55 F HN 0.232 nan 8.300 nan 0.000 0.460 56 V N 1.614 121.642 119.914 0.191 0.000 2.427 56 V HA 0.588 4.712 4.120 0.007 0.000 0.286 56 V C -0.624 175.599 176.094 0.214 0.000 1.034 56 V CA -0.591 61.791 62.300 0.136 0.000 0.893 56 V CB 1.183 33.090 31.823 0.140 0.000 0.982 56 V HN 1.054 nan 8.190 nan 0.000 0.452 57 C N 4.988 124.394 119.300 0.177 0.000 2.642 57 C HA 0.548 5.012 4.460 0.007 0.000 0.344 57 C C 0.561 175.714 174.990 0.272 0.000 1.110 57 C CA -0.529 58.558 59.018 0.115 0.000 1.298 57 C CB -0.307 27.252 27.740 -0.301 0.000 1.827 57 C HN 1.183 nan 8.230 nan 0.000 0.467 58 C N 6.142 125.573 119.300 0.217 0.000 4.300 58 C HA -0.089 4.376 4.460 0.007 0.000 0.304 58 C C 0.760 175.877 174.990 0.211 0.000 1.367 58 C CA 1.400 60.555 59.018 0.228 0.000 2.032 58 C CB -2.831 25.058 27.740 0.247 0.000 1.285 58 C HN 1.164 nan 8.230 nan 0.000 0.737 59 D N -1.928 118.595 120.400 0.204 0.000 2.673 59 D HA -0.156 4.488 4.640 0.007 0.000 0.186 59 D C -0.026 176.306 176.300 0.053 0.000 1.079 59 D CA 2.373 56.435 54.000 0.104 0.000 1.050 59 D CB -0.693 40.150 40.800 0.071 0.000 1.118 59 D HN 0.732 nan 8.370 nan 0.000 0.426 60 D N -0.138 120.326 120.400 0.107 0.000 2.332 60 D HA 0.447 5.092 4.640 0.007 0.000 0.252 60 D C 0.478 176.797 176.300 0.031 0.000 1.050 60 D CA -0.523 53.481 54.000 0.007 0.000 0.970 60 D CB 0.976 41.733 40.800 -0.071 0.000 1.141 60 D HN 0.022 nan 8.370 nan 0.000 0.485 61 L N 1.384 122.510 121.223 -0.162 0.000 2.289 61 L HA 0.357 4.701 4.340 0.007 0.000 0.285 61 L C -1.167 175.502 176.870 -0.334 0.000 1.049 61 L CA -0.507 54.224 54.840 -0.182 0.000 0.804 61 L CB 0.586 42.499 42.059 -0.245 0.000 1.195 61 L HN 0.339 nan 8.230 nan 0.000 0.428 62 W N 3.190 124.147 121.300 -0.571 0.000 2.820 62 W HA 0.519 5.184 4.660 0.007 0.000 0.350 62 W C -0.384 175.859 176.519 -0.460 0.000 1.116 62 W CA -0.489 56.492 57.345 -0.606 0.000 1.146 62 W CB 1.204 30.093 29.460 -0.952 0.000 1.433 62 W HN 0.340 nan 8.180 nan 0.000 0.561 63 E N 1.524 121.790 120.200 0.111 0.000 2.234 63 E HA 0.228 4.582 4.350 0.007 0.000 0.266 63 E C -1.534 175.305 176.600 0.400 0.000 0.877 63 E CA -0.580 55.965 56.400 0.241 0.000 0.758 63 E CB 1.429 31.233 29.700 0.174 0.000 1.170 63 E HN 0.480 nan 8.360 nan 0.000 0.415 64 H N 3.182 122.481 119.070 0.381 0.000 2.600 64 H HA 0.287 4.847 4.556 0.007 0.000 0.357 64 H C -1.694 173.762 175.328 0.213 0.000 1.106 64 H CA -0.632 55.603 56.048 0.312 0.000 1.193 64 H CB 1.963 31.922 29.762 0.330 0.000 1.594 64 H HN 0.616 nan 8.280 nan 0.000 0.526 65 D N 5.000 125.401 120.400 0.000 0.000 2.460 65 D HA 0.167 4.812 4.640 0.007 0.000 0.232 65 D C 1.243 177.630 176.300 0.146 0.000 1.079 65 D CA -0.469 53.596 54.000 0.108 0.000 0.864 65 D CB 0.570 41.387 40.800 0.027 0.000 1.048 65 D HN 0.539 nan 8.370 nan 0.000 0.523 66 L N 2.963 124.361 121.223 0.292 0.000 2.064 66 L HA -0.240 4.104 4.340 0.007 0.000 0.216 66 L C 2.419 179.362 176.870 0.122 0.000 1.077 66 L CA 1.262 56.237 54.840 0.224 0.000 0.766 66 L CB -0.513 41.617 42.059 0.119 0.000 0.890 66 L HN 0.471 nan 8.230 nan 0.000 0.435 67 K N 0.567 121.014 120.400 0.079 0.000 1.969 67 K HA -0.248 4.077 4.320 0.007 0.000 0.223 67 K C 2.356 178.976 176.600 0.033 0.000 1.048 67 K CA 2.402 58.716 56.287 0.044 0.000 0.983 67 K CB -0.227 32.293 32.500 0.034 0.000 0.738 67 K HN 0.366 nan 8.250 nan 0.000 0.446 68 S N -1.045 114.665 115.700 0.016 0.000 2.423 68 S HA 0.015 4.490 4.470 0.007 0.000 0.231 68 S C 1.469 176.061 174.600 -0.014 0.000 1.014 68 S CA 1.045 59.244 58.200 -0.002 0.000 0.965 68 S CB -0.194 62.998 63.200 -0.013 0.000 0.785 68 S HN 0.725 nan 8.310 nan 0.000 0.495 69 G N 1.115 109.898 108.800 -0.029 0.000 2.143 69 G HA2 -0.273 3.692 3.960 0.007 0.000 0.249 69 G HA3 -0.273 3.692 3.960 0.007 0.000 0.249 69 G C 0.166 174.952 174.900 -0.190 0.000 0.981 69 G CA 0.412 45.500 45.100 -0.020 0.000 0.665 69 G HN 1.409 nan 8.290 nan 0.000 0.528 70 S N -0.709 114.835 115.700 -0.259 0.000 2.672 70 S HA 0.865 5.339 4.470 0.007 0.000 0.276 70 S C -0.030 174.393 174.600 -0.295 0.000 1.207 70 S CA 0.462 58.550 58.200 -0.185 0.000 1.002 70 S CB 2.431 65.591 63.200 -0.067 0.000 0.998 70 S HN 0.768 nan 8.310 nan 0.000 0.542 71 T N 1.103 115.640 114.554 -0.027 0.000 2.903 71 T HA 0.800 5.154 4.350 0.007 0.000 0.299 71 T C -0.819 174.046 174.700 0.274 0.000 1.093 71 T CA -1.033 61.171 62.100 0.173 0.000 1.002 71 T CB 1.520 70.596 68.868 0.347 0.000 1.127 71 T HN 0.975 nan 8.240 nan 0.000 0.488 72 R N 0.065 120.772 120.500 0.344 0.000 2.663 72 R HA 0.554 4.898 4.340 0.007 0.000 0.267 72 R C -1.584 174.647 176.300 -0.115 0.000 1.038 72 R CA -1.201 54.990 56.100 0.152 0.000 0.886 72 R CB 1.586 31.909 30.300 0.038 0.000 1.249 72 R HN 0.506 nan 8.270 nan 0.000 0.463 73 K N 3.367 123.366 120.400 -0.668 0.000 2.284 73 K HA 0.200 4.524 4.320 0.007 0.000 0.287 73 K C 0.827 177.096 176.600 -0.551 0.000 1.081 73 K CA -0.513 55.109 56.287 -1.107 0.000 0.910 73 K CB 0.567 32.206 32.500 -1.434 0.000 1.088 73 K HN 0.739 nan 8.250 nan 0.000 0.478 74 I N 1.662 121.952 120.570 -0.467 0.000 3.226 74 I HA 0.114 4.288 4.170 0.007 0.000 0.277 74 I C 0.150 175.973 176.117 -0.491 0.000 1.243 74 I CA -0.281 60.790 61.300 -0.382 0.000 1.459 74 I CB 0.504 38.263 38.000 -0.401 0.000 1.093 74 I HN 0.229 nan 8.210 nan 0.000 0.453 75 V N 0.930 120.556 119.914 -0.481 0.000 3.023 75 V HA 0.690 4.814 4.120 0.007 0.000 0.294 75 V C -1.011 174.896 176.094 -0.312 0.000 1.324 75 V CA 0.379 62.453 62.300 -0.377 0.000 0.979 75 V CB 2.210 33.767 31.823 -0.445 0.000 1.093 75 V HN 0.548 nan 8.190 nan 0.000 0.434 76 S N 3.789 119.354 115.700 -0.224 0.000 2.672 76 S HA 0.594 5.068 4.470 0.007 0.000 0.271 76 S C -0.125 174.393 174.600 -0.137 0.000 1.171 76 S CA 0.057 58.145 58.200 -0.185 0.000 0.817 76 S CB 1.467 64.552 63.200 -0.193 0.000 1.150 76 S HN 2.149 nan 8.310 nan 0.000 0.478 77 N N -0.702 117.932 118.700 -0.109 0.000 2.747 77 N HA -0.130 4.615 4.740 0.007 0.000 0.249 77 N C 0.007 175.450 175.510 -0.113 0.000 1.107 77 N CA 1.122 54.119 53.050 -0.089 0.000 0.707 77 N CB -1.740 36.705 38.487 -0.070 0.000 1.054 77 N HN 0.661 nan 8.380 nan 0.000 0.555 78 L N -2.011 119.121 121.223 -0.152 0.000 2.638 78 L HA 0.422 4.766 4.340 0.007 0.000 0.232 78 L C 1.496 178.260 176.870 -0.176 0.000 1.099 78 L CA 0.544 55.254 54.840 -0.216 0.000 0.883 78 L CB 0.119 41.968 42.059 -0.350 0.000 1.136 78 L HN 0.485 nan 8.230 nan 0.000 0.492 79 G N -0.315 108.408 108.800 -0.128 0.000 2.297 79 G HA2 -0.140 3.825 3.960 0.007 0.000 0.209 79 G HA3 -0.140 3.825 3.960 0.007 0.000 0.209 79 G C -0.998 173.849 174.900 -0.087 0.000 1.267 79 G CA -0.586 44.454 45.100 -0.100 0.000 1.127 79 G HN -0.259 nan 8.290 nan 0.000 0.498 80 V N 1.268 121.124 119.914 -0.096 0.000 2.385 80 V HA 0.536 4.661 4.120 0.007 0.000 0.269 80 V C 0.661 176.636 176.094 -0.197 0.000 1.043 80 V CA -0.133 62.066 62.300 -0.168 0.000 0.906 80 V CB 0.798 32.466 31.823 -0.259 0.000 0.995 80 V HN 0.569 nan 8.190 nan 0.000 0.467 81 I N 4.983 125.453 120.570 -0.167 0.000 2.359 81 I HA 0.379 4.553 4.170 0.007 0.000 0.294 81 I C 0.898 176.955 176.117 -0.099 0.000 0.987 81 I CA -0.176 61.060 61.300 -0.107 0.000 1.225 81 I CB 1.453 39.414 38.000 -0.064 0.000 1.366 81 I HN 0.844 nan 8.210 nan 0.000 0.466 82 N N 3.041 121.719 118.700 -0.037 0.000 2.168 82 N HA 0.124 4.868 4.740 0.007 0.000 0.216 82 N C -0.093 175.488 175.510 0.118 0.000 1.259 82 N CA -0.429 52.665 53.050 0.073 0.000 0.902 82 N CB 0.528 39.086 38.487 0.119 0.000 1.079 82 N HN 0.508 nan 8.380 nan 0.000 0.507 83 N N 0.342 119.117 118.700 0.124 0.000 2.369 83 N HA 0.593 5.337 4.740 0.007 0.000 0.287 83 N C -2.137 173.469 175.510 0.158 0.000 1.067 83 N CA -0.457 52.720 53.050 0.213 0.000 0.888 83 N CB 2.345 40.997 38.487 0.274 0.000 1.616 83 N HN 0.312 nan 8.380 nan 0.000 0.482 84 A N 2.704 125.632 122.820 0.180 0.000 2.381 84 A HA 0.776 5.101 4.320 0.007 0.000 0.299 84 A C -1.129 176.531 177.584 0.126 0.000 1.049 84 A CA -0.714 51.384 52.037 0.101 0.000 0.715 84 A CB 1.127 20.131 19.000 0.006 0.000 1.222 84 A HN 0.497 nan 8.150 nan 0.000 0.428 85 R N 1.433 122.008 120.500 0.125 0.000 2.534 85 R HA 0.449 4.794 4.340 0.007 0.000 0.301 85 R C -1.424 174.952 176.300 0.128 0.000 0.961 85 R CA -0.574 55.641 56.100 0.191 0.000 0.871 85 R CB 1.192 31.683 30.300 0.319 0.000 1.170 85 R HN 0.683 nan 8.270 nan 0.000 0.446 86 F N 2.179 122.205 119.950 0.128 0.000 2.443 86 F HA 0.189 4.720 4.527 0.008 0.000 0.353 86 F C 1.010 176.614 175.800 -0.327 0.000 1.101 86 F CA 0.077 58.072 58.000 -0.008 0.000 1.226 86 F CB 0.506 39.496 39.000 -0.017 0.000 1.140 86 F HN 0.357 nan 8.300 nan 0.000 0.557 87 F N 5.134 124.986 119.950 -0.163 0.000 2.426 87 F HA 0.128 4.660 4.527 0.007 0.000 0.309 87 F C -0.867 174.620 175.800 -0.522 0.000 1.246 87 F CA -1.168 56.490 58.000 -0.570 0.000 1.229 87 F CB 0.059 38.917 39.000 -0.237 0.000 1.255 87 F HN 0.325 nan 8.300 nan 0.000 0.558 88 P HA -0.218 nan 4.420 nan 0.000 0.213 88 P C 0.799 178.084 177.300 -0.024 0.000 1.170 88 P CA 2.105 65.133 63.100 -0.120 0.000 0.898 88 P CB -0.287 31.392 31.700 -0.034 0.000 0.787 89 D N -0.742 119.649 120.400 -0.015 0.000 2.389 89 D HA -0.071 4.574 4.640 0.007 0.000 0.221 89 D C 1.570 177.786 176.300 -0.140 0.000 0.974 89 D CA 1.305 55.287 54.000 -0.029 0.000 0.923 89 D CB -1.368 39.407 40.800 -0.042 0.000 0.892 89 D HN 0.407 nan 8.370 nan 0.000 0.518 90 G N 0.297 108.896 108.800 -0.336 0.000 2.189 90 G HA2 -0.395 3.569 3.960 0.007 0.000 0.267 90 G HA3 -0.395 3.569 3.960 0.007 0.000 0.267 90 G C 1.313 176.106 174.900 -0.178 0.000 0.975 90 G CA 0.537 45.168 45.100 -0.782 0.000 0.644 90 G HN 0.377 nan 8.290 nan 0.000 0.537 91 R N 0.235 120.692 120.500 -0.071 0.000 2.048 91 R HA 0.110 4.455 4.340 0.007 0.000 0.224 91 R C 1.361 177.657 176.300 -0.006 0.000 1.163 91 R CA 1.217 57.295 56.100 -0.036 0.000 0.956 91 R CB -0.265 29.976 30.300 -0.099 0.000 0.849 91 R HN 0.473 nan 8.270 nan 0.000 0.435 92 K N 0.630 120.978 120.400 -0.088 0.000 2.090 92 K HA 0.476 4.800 4.320 0.007 0.000 0.250 92 K C -0.084 176.683 176.600 0.279 0.000 1.004 92 K CA -0.228 55.989 56.287 -0.116 0.000 0.919 92 K CB 1.221 33.296 32.500 -0.708 0.000 1.045 92 K HN -0.024 nan 8.250 nan 0.000 0.471 93 I N 0.939 121.702 120.570 0.321 0.000 2.569 93 I HA 0.289 4.463 4.170 0.007 0.000 0.290 93 I C -0.893 175.469 176.117 0.409 0.000 1.088 93 I CA -1.008 60.489 61.300 0.329 0.000 1.047 93 I CB 2.147 40.224 38.000 0.129 0.000 1.237 93 I HN 0.619 nan 8.210 nan 0.000 0.421 94 A N 7.603 130.644 122.820 0.367 0.000 2.289 94 A HA 0.828 5.153 4.320 0.007 0.000 0.298 94 A C -0.595 177.153 177.584 0.274 0.000 1.208 94 A CA -0.214 52.077 52.037 0.423 0.000 0.845 94 A CB 0.311 19.491 19.000 0.299 0.000 1.125 94 A HN 0.656 nan 8.150 nan 0.000 0.517 95 I N 1.908 122.649 120.570 0.286 0.000 2.509 95 I HA 0.438 4.612 4.170 0.007 0.000 0.293 95 I C 0.305 176.521 176.117 0.164 0.000 1.020 95 I CA -0.512 60.896 61.300 0.179 0.000 1.088 95 I CB 2.029 40.110 38.000 0.135 0.000 1.267 95 I HN 0.764 nan 8.210 nan 0.000 0.430 96 R N 5.899 126.466 120.500 0.111 0.000 2.255 96 R HA 0.691 5.036 4.340 0.007 0.000 0.326 96 R C -1.699 174.634 176.300 0.054 0.000 0.986 96 R CA -0.382 55.769 56.100 0.085 0.000 0.847 96 R CB 1.692 32.040 30.300 0.079 0.000 1.111 96 R HN 0.528 nan 8.270 nan 0.000 0.452 97 V N 6.125 126.080 119.914 0.068 0.000 2.680 97 V HA 0.528 4.653 4.120 0.007 0.000 0.309 97 V C -0.776 175.405 176.094 0.146 0.000 1.052 97 V CA -0.857 61.476 62.300 0.056 0.000 0.908 97 V CB 2.070 33.900 31.823 0.011 0.000 1.001 97 V HN 0.885 nan 8.190 nan 0.000 0.431 98 M N 6.194 125.832 119.600 0.064 0.000 2.472 98 M HA 0.682 5.167 4.480 0.007 0.000 0.331 98 M C -0.282 176.047 176.300 0.048 0.000 1.170 98 M CA -0.418 54.931 55.300 0.081 0.000 1.009 98 M CB 2.149 34.713 32.600 -0.059 0.000 1.672 98 M HN 0.581 nan 8.290 nan 0.000 0.453 99 R N 0.127 120.653 120.500 0.043 0.000 2.855 99 R HA 0.868 5.212 4.340 0.007 0.000 0.266 99 R C -0.906 175.354 176.300 -0.067 0.000 1.034 99 R CA -0.845 55.182 56.100 -0.121 0.000 0.944 99 R CB 2.459 32.464 30.300 -0.492 0.000 1.219 99 R HN 0.959 nan 8.270 nan 0.000 0.474 100 G N -0.022 108.733 108.800 -0.076 0.000 2.674 100 G HA2 -0.216 3.748 3.960 0.007 0.000 0.686 100 G HA3 -0.216 3.748 3.960 0.007 0.000 0.686 100 G C 0.282 175.191 174.900 0.015 0.000 1.195 100 G CA -0.085 44.997 45.100 -0.031 0.000 0.776 100 G HN 0.507 nan 8.290 nan 0.000 0.654 101 S N -0.245 115.476 115.700 0.035 0.000 2.380 101 S HA -0.110 4.365 4.470 0.007 0.000 0.229 101 S C 2.075 176.783 174.600 0.179 0.000 1.043 101 S CA 2.561 60.818 58.200 0.095 0.000 1.038 101 S CB -0.164 63.078 63.200 0.070 0.000 0.872 101 S HN 1.326 nan 8.310 nan 0.000 0.456 102 S N 0.780 116.542 115.700 0.103 0.000 2.601 102 S HA 0.447 4.921 4.470 0.007 0.000 0.244 102 S C 0.206 174.723 174.600 -0.138 0.000 1.001 102 S CA -0.262 57.977 58.200 0.064 0.000 0.984 102 S CB -0.033 63.194 63.200 0.045 0.000 0.842 102 S HN 0.561 nan 8.310 nan 0.000 0.474 103 L N 1.416 122.582 121.223 -0.096 0.000 3.678 103 L HA -0.308 4.037 4.340 0.007 0.000 0.425 103 L C 0.914 177.711 176.870 -0.121 0.000 1.240 103 L CA 0.532 55.288 54.840 -0.140 0.000 0.876 103 L CB -2.270 39.617 42.059 -0.287 0.000 1.766 103 L HN 0.508 nan 8.230 nan 0.000 0.917 104 N N -0.922 117.734 118.700 -0.073 0.000 2.515 104 N HA -0.011 4.734 4.740 0.007 0.000 0.185 104 N C 0.549 176.044 175.510 -0.025 0.000 1.109 104 N CA 0.844 53.856 53.050 -0.063 0.000 0.903 104 N CB 0.191 38.653 38.487 -0.042 0.000 0.969 104 N HN 0.601 nan 8.380 nan 0.000 0.450 105 T N -3.698 110.869 114.554 0.022 0.000 2.906 105 T HA 0.855 5.209 4.350 0.007 0.000 0.295 105 T C -0.888 173.920 174.700 0.180 0.000 1.075 105 T CA -0.793 61.368 62.100 0.102 0.000 1.005 105 T CB 2.156 71.127 68.868 0.172 0.000 1.136 105 T HN 0.215 nan 8.240 nan 0.000 0.498 106 A N 1.268 124.180 122.820 0.154 0.000 2.604 106 A HA 0.815 5.140 4.320 0.007 0.000 0.295 106 A C -1.836 175.619 177.584 -0.216 0.000 1.067 106 A CA -0.721 51.365 52.037 0.083 0.000 0.683 106 A CB 1.788 20.807 19.000 0.032 0.000 1.281 106 A HN 0.825 nan 8.150 nan 0.000 0.407 107 D N -0.306 119.836 120.400 -0.430 0.000 2.622 107 D HA 0.528 5.173 4.640 0.007 0.000 0.255 107 D C -1.199 174.939 176.300 -0.271 0.000 1.246 107 D CA -0.239 53.414 54.000 -0.578 0.000 0.795 107 D CB 1.680 41.719 40.800 -1.268 0.000 1.369 107 D HN 0.489 nan 8.370 nan 0.000 0.425 108 L N 1.181 122.257 121.223 -0.245 0.000 2.322 108 L HA 0.510 4.854 4.340 0.007 0.000 0.279 108 L C -0.797 176.014 176.870 -0.097 0.000 1.036 108 L CA -0.668 54.136 54.840 -0.060 0.000 0.807 108 L CB 0.766 42.804 42.059 -0.035 0.000 1.226 108 L HN 0.272 nan 8.230 nan 0.000 0.433 109 Y N 1.111 121.391 120.300 -0.033 0.000 2.570 109 Y HA 0.520 5.075 4.550 0.007 0.000 0.345 109 Y C -0.410 175.663 175.900 0.289 0.000 1.014 109 Y CA -0.656 57.465 58.100 0.034 0.000 1.063 109 Y CB 2.154 40.652 38.460 0.063 0.000 1.272 109 Y HN 0.295 nan 8.280 nan 0.000 0.477 110 F N 1.330 121.436 119.950 0.260 0.000 2.492 110 F HA 0.397 4.929 4.527 0.007 0.000 0.327 110 F C -1.128 174.844 175.800 0.288 0.000 1.079 110 F CA -1.099 57.055 58.000 0.256 0.000 0.967 110 F CB 1.792 40.882 39.000 0.150 0.000 1.169 110 F HN 0.400 nan 8.300 nan 0.000 0.472 111 Y N 3.367 123.834 120.300 0.277 0.000 2.331 111 Y HA 0.280 4.834 4.550 0.007 0.000 0.326 111 Y C -1.075 174.849 175.900 0.041 0.000 1.020 111 Y CA -1.113 57.068 58.100 0.135 0.000 1.136 111 Y CB 0.957 39.472 38.460 0.091 0.000 1.157 111 Y HN 0.425 nan 8.280 nan 0.000 0.444 112 N N 3.763 122.089 118.700 -0.623 0.000 2.527 112 N HA 0.205 4.949 4.740 0.007 0.000 0.236 112 N C 0.804 175.857 175.510 -0.762 0.000 0.999 112 N CA 0.483 53.221 53.050 -0.520 0.000 0.935 112 N CB 1.571 39.880 38.487 -0.296 0.000 1.132 112 N HN 1.093 nan 8.380 nan 0.000 0.511 113 G N 2.037 110.508 108.800 -0.547 0.000 2.708 113 G HA2 -0.172 3.793 3.960 0.007 0.000 0.210 113 G HA3 -0.172 3.793 3.960 0.007 0.000 0.210 113 G C 1.062 175.870 174.900 -0.153 0.000 1.141 113 G CA 0.165 45.094 45.100 -0.285 0.000 0.788 113 G HN 0.633 nan 8.290 nan 0.000 0.531 114 E N 1.414 121.510 120.200 -0.175 0.000 2.042 114 E HA -0.099 4.256 4.350 0.007 0.000 0.189 114 E C 1.915 178.458 176.600 -0.096 0.000 0.974 114 E CA 1.298 57.635 56.400 -0.104 0.000 0.806 114 E CB 0.057 29.698 29.700 -0.100 0.000 0.769 114 E HN 0.512 nan 8.360 nan 0.000 0.451 115 N N -1.199 117.425 118.700 -0.127 0.000 2.205 115 N HA 0.115 4.859 4.740 0.007 0.000 0.201 115 N C 0.849 176.302 175.510 -0.094 0.000 1.128 115 N CA 0.728 53.724 53.050 -0.089 0.000 0.867 115 N CB 0.806 39.249 38.487 -0.073 0.000 0.996 115 N HN 0.202 nan 8.380 nan 0.000 0.503 116 G N 0.177 108.870 108.800 -0.180 0.000 2.198 116 G HA2 -0.332 3.632 3.960 0.007 0.000 0.257 116 G HA3 -0.332 3.632 3.960 0.007 0.000 0.257 116 G C -0.452 174.400 174.900 -0.079 0.000 1.042 116 G CA 0.266 45.285 45.100 -0.135 0.000 0.791 116 G HN 0.641 nan 8.290 nan 0.000 0.502 117 E N -0.603 119.508 120.200 -0.149 0.000 2.343 117 E HA 0.593 4.948 4.350 0.007 0.000 0.269 117 E C -0.313 176.313 176.600 0.043 0.000 1.047 117 E CA -0.825 55.553 56.400 -0.035 0.000 0.874 117 E CB 0.708 30.384 29.700 -0.039 0.000 1.033 117 E HN 0.368 nan 8.360 nan 0.000 0.409 118 I N 3.213 123.870 120.570 0.145 0.000 2.608 118 I HA 0.410 4.584 4.170 0.007 0.000 0.295 118 I C -1.548 174.712 176.117 0.238 0.000 1.049 118 I CA -0.432 61.025 61.300 0.263 0.000 1.063 118 I CB 1.606 39.766 38.000 0.267 0.000 1.248 118 I HN 0.507 nan 8.210 nan 0.000 0.424 119 K N 6.278 126.849 120.400 0.284 0.000 2.571 119 K HA 0.408 4.732 4.320 0.007 0.000 0.252 119 K C -1.229 175.273 176.600 -0.164 0.000 0.956 119 K CA -0.797 55.555 56.287 0.109 0.000 0.822 119 K CB 1.467 34.014 32.500 0.077 0.000 1.286 119 K HN 0.720 nan 8.250 nan 0.000 0.439 120 R N 5.340 125.513 120.500 -0.545 0.000 2.401 120 R HA 0.131 4.475 4.340 0.007 0.000 0.299 120 R C 0.624 176.521 176.300 -0.671 0.000 1.064 120 R CA -0.245 55.102 56.100 -1.255 0.000 1.000 120 R CB 0.426 29.973 30.300 -1.255 0.000 0.973 120 R HN 0.600 nan 8.270 nan 0.000 0.438 121 I N 2.436 122.595 120.570 -0.685 0.000 2.628 121 I HA -0.028 4.146 4.170 0.007 0.000 0.255 121 I C 1.026 176.933 176.117 -0.350 0.000 1.119 121 I CA 0.974 61.968 61.300 -0.509 0.000 1.448 121 I CB -0.600 36.996 38.000 -0.674 0.000 1.133 121 I HN 0.666 nan 8.210 nan 0.000 0.438 122 T N -1.967 112.254 114.554 -0.555 0.000 2.856 122 T HA 0.509 4.863 4.350 0.007 0.000 0.283 122 T C -0.789 173.373 174.700 -0.898 0.000 1.008 122 T CA -0.369 61.291 62.100 -0.734 0.000 0.997 122 T CB 1.879 70.244 68.868 -0.839 0.000 0.992 122 T HN 0.027 nan 8.240 nan 0.000 0.454 123 Y N 1.340 121.143 120.300 -0.827 0.000 2.578 123 Y HA 0.427 4.982 4.550 0.007 0.000 0.317 123 Y C 0.493 176.200 175.900 -0.322 0.000 0.940 123 Y CA -1.791 56.053 58.100 -0.428 0.000 1.174 123 Y CB -0.347 37.998 38.460 -0.191 0.000 1.198 123 Y HN 0.759 nan 8.280 nan 0.000 0.597 124 F N -1.275 118.571 119.950 -0.172 0.000 2.473 124 F HA -0.010 4.522 4.527 0.007 0.000 0.294 124 F C 1.634 177.355 175.800 -0.133 0.000 1.103 124 F CA 0.434 58.317 58.000 -0.196 0.000 1.442 124 F CB 0.266 39.079 39.000 -0.311 0.000 1.097 124 F HN 0.116 nan 8.300 nan 0.000 0.547 125 S N 1.221 116.930 115.700 0.015 0.000 3.628 125 S HA -0.148 4.326 4.470 0.007 0.000 0.373 125 S C 0.523 175.144 174.600 0.035 0.000 0.968 125 S CA -0.023 58.199 58.200 0.036 0.000 1.215 125 S CB -1.608 61.653 63.200 0.101 0.000 0.912 125 S HN 0.610 nan 8.310 nan 0.000 0.495 126 G N 1.786 110.595 108.800 0.016 0.000 2.321 126 G HA2 0.247 4.212 3.960 0.007 0.000 0.237 126 G HA3 0.247 4.212 3.960 0.007 0.000 0.237 126 G C -0.078 174.821 174.900 -0.003 0.000 1.282 126 G CA -0.256 44.844 45.100 0.001 0.000 0.886 126 G HN 0.667 nan 8.290 nan 0.000 0.528 127 K N 0.933 121.321 120.400 -0.021 0.000 2.276 127 K HA 0.420 4.744 4.320 0.007 0.000 0.283 127 K C 0.272 176.819 176.600 -0.088 0.000 1.044 127 K CA -0.070 56.188 56.287 -0.048 0.000 0.944 127 K CB 1.067 33.529 32.500 -0.063 0.000 1.012 127 K HN 0.636 nan 8.250 nan 0.000 0.472 128 S N 0.547 116.171 115.700 -0.128 0.000 2.588 128 S HA 0.608 5.083 4.470 0.007 0.000 0.275 128 S C -0.507 173.944 174.600 -0.248 0.000 1.130 128 S CA -0.820 57.250 58.200 -0.217 0.000 0.855 128 S CB 1.920 65.028 63.200 -0.153 0.000 1.116 128 S HN 0.653 nan 8.310 nan 0.000 0.472 129 T N -2.142 112.212 114.554 -0.334 0.000 2.838 129 T HA 0.702 5.057 4.350 0.007 0.000 0.292 129 T C 1.316 175.831 174.700 -0.307 0.000 1.113 129 T CA -0.282 61.631 62.100 -0.313 0.000 1.008 129 T CB 0.852 69.500 68.868 -0.366 0.000 1.259 129 T HN 1.094 nan 8.240 nan 0.000 0.520 130 G N 0.770 109.410 108.800 -0.267 0.000 2.440 130 G HA2 -0.224 3.740 3.960 0.007 0.000 0.218 130 G HA3 -0.224 3.740 3.960 0.007 0.000 0.218 130 G C 1.528 176.283 174.900 -0.241 0.000 1.154 130 G CA 1.016 45.994 45.100 -0.204 0.000 0.767 130 G HN 0.972 nan 8.290 nan 0.000 0.552 131 R N -0.278 119.995 120.500 -0.379 0.000 2.115 131 R HA 0.138 4.482 4.340 0.007 0.000 0.226 131 R C 0.657 176.689 176.300 -0.447 0.000 1.100 131 R CA 0.544 56.376 56.100 -0.446 0.000 0.980 131 R CB 0.005 29.915 30.300 -0.650 0.000 0.875 131 R HN 0.159 nan 8.270 nan 0.000 0.445 132 R N 1.147 121.276 120.500 -0.618 0.000 2.547 132 R HA 0.314 4.659 4.340 0.007 0.000 0.280 132 R C -0.697 175.042 176.300 -0.935 0.000 1.630 132 R CA -0.204 55.277 56.100 -1.031 0.000 1.470 132 R CB 1.287 30.713 30.300 -1.455 0.000 1.178 132 R HN 0.102 nan 8.270 nan 0.000 0.591 133 M N 3.140 122.446 119.600 -0.489 0.000 3.436 133 M HA 0.232 4.716 4.480 0.007 0.000 0.240 133 M C -0.238 176.065 176.300 0.006 0.000 1.469 133 M CA 0.377 55.549 55.300 -0.214 0.000 1.622 133 M CB -0.310 32.246 32.600 -0.074 0.000 1.098 133 M HN 0.308 nan 8.290 nan 0.000 0.568 134 F N 0.529 120.386 119.950 -0.154 0.000 2.472 134 F HA 0.105 4.637 4.527 0.008 0.000 0.312 134 F C 1.321 177.073 175.800 -0.079 0.000 1.256 134 F CA -0.427 57.501 58.000 -0.121 0.000 1.275 134 F CB 0.540 39.455 39.000 -0.140 0.000 1.228 134 F HN 0.394 nan 8.300 nan 0.000 0.567 135 T N 1.135 115.759 114.554 0.117 0.000 2.995 135 T HA -0.161 4.193 4.350 0.007 0.000 0.456 135 T C -0.963 173.768 174.700 0.051 0.000 0.777 135 T CA 0.112 62.239 62.100 0.045 0.000 2.404 135 T CB -1.007 67.884 68.868 0.037 0.000 1.682 135 T HN 0.676 nan 8.240 nan 0.000 0.624 136 D N -0.141 120.282 120.400 0.040 0.000 2.798 136 D HA 0.600 5.244 4.640 0.007 0.000 0.308 136 D C -0.556 175.748 176.300 0.007 0.000 1.187 136 D CA -0.577 53.447 54.000 0.040 0.000 1.033 136 D CB 1.661 42.495 40.800 0.057 0.000 1.445 136 D HN 0.224 nan 8.370 nan 0.000 0.550 137 V N 1.627 121.535 119.914 -0.011 0.000 2.432 137 V HA 0.495 4.620 4.120 0.007 0.000 0.271 137 V C 1.140 177.155 176.094 -0.131 0.000 1.046 137 V CA 0.375 62.624 62.300 -0.085 0.000 0.945 137 V CB 0.843 32.609 31.823 -0.095 0.000 0.992 137 V HN 0.707 nan 8.190 nan 0.000 0.471 138 A N 3.999 126.731 122.820 -0.147 0.000 1.984 138 A HA 0.629 4.953 4.320 0.007 0.000 0.214 138 A C 1.122 178.655 177.584 -0.084 0.000 1.173 138 A CA 1.079 53.040 52.037 -0.127 0.000 0.673 138 A CB -0.068 18.887 19.000 -0.075 0.000 0.830 138 A HN 1.362 nan 8.150 nan 0.000 0.453 139 G N -2.403 106.288 108.800 -0.181 0.000 2.351 139 G HA2 0.402 4.366 3.960 0.007 0.000 0.279 139 G HA3 0.402 4.366 3.960 0.007 0.000 0.279 139 G C -1.590 173.085 174.900 -0.375 0.000 1.297 139 G CA -0.723 44.331 45.100 -0.077 0.000 0.886 139 G HN 0.295 nan 8.290 nan 0.000 0.493 140 F N 1.548 121.588 119.950 0.149 0.000 2.547 140 F HA 0.497 5.028 4.527 0.007 0.000 0.316 140 F C 0.031 175.827 175.800 -0.007 0.000 1.121 140 F CA -0.652 57.386 58.000 0.063 0.000 0.911 140 F CB 2.206 41.208 39.000 0.003 0.000 1.179 140 F HN 0.672 nan 8.300 nan 0.000 0.443 141 D N 2.579 122.975 120.400 -0.007 0.000 2.371 141 D HA 0.215 4.859 4.640 0.007 0.000 0.242 141 D C -2.114 173.924 176.300 -0.437 0.000 1.218 141 D CA -1.952 51.713 54.000 -0.559 0.000 0.945 141 D CB 0.327 40.953 40.800 -0.289 0.000 1.137 141 D HN 0.167 nan 8.370 nan 0.000 0.464 142 P HA -0.140 nan 4.420 nan 0.000 0.217 142 P C 0.437 177.680 177.300 -0.096 0.000 1.151 142 P CA 1.258 64.204 63.100 -0.256 0.000 0.849 142 P CB 0.073 31.648 31.700 -0.207 0.000 0.787 143 D N -1.980 118.375 120.400 -0.074 0.000 2.392 143 D HA 0.045 4.690 4.640 0.007 0.000 0.228 143 D C 1.460 177.787 176.300 0.045 0.000 1.003 143 D CA 1.345 55.344 54.000 -0.002 0.000 0.917 143 D CB -0.697 40.110 40.800 0.013 0.000 0.890 143 D HN 0.177 nan 8.370 nan 0.000 0.532 144 G N 0.452 109.292 108.800 0.067 0.000 2.132 144 G HA2 -0.280 3.684 3.960 0.007 0.000 0.234 144 G HA3 -0.280 3.684 3.960 0.007 0.000 0.234 144 G C -0.026 175.058 174.900 0.307 0.000 0.989 144 G CA -0.298 44.898 45.100 0.161 0.000 0.676 144 G HN 0.340 nan 8.290 nan 0.000 0.522 145 N N -0.556 118.294 118.700 0.251 0.000 2.487 145 N HA 0.626 5.371 4.740 0.007 0.000 0.292 145 N C -0.010 175.659 175.510 0.265 0.000 1.108 145 N CA -0.708 52.518 53.050 0.292 0.000 0.956 145 N CB 1.596 40.186 38.487 0.171 0.000 1.176 145 N HN 0.306 nan 8.380 nan 0.000 0.484 146 L N 2.592 123.949 121.223 0.223 0.000 2.367 146 L HA 0.389 4.733 4.340 0.007 0.000 0.275 146 L C -1.116 175.699 176.870 -0.092 0.000 1.129 146 L CA 0.142 54.876 54.840 -0.177 0.000 0.839 146 L CB 0.140 42.171 42.059 -0.048 0.000 1.133 146 L HN 0.423 nan 8.230 nan 0.000 0.453 147 I N 6.938 127.381 120.570 -0.212 0.000 2.362 147 I HA 0.360 4.534 4.170 0.007 0.000 0.289 147 I C 0.103 176.182 176.117 -0.063 0.000 0.994 147 I CA -0.418 60.859 61.300 -0.037 0.000 1.158 147 I CB 1.214 39.234 38.000 0.033 0.000 1.315 147 I HN 0.689 nan 8.210 nan 0.000 0.451 148 I N 2.081 122.684 120.570 0.056 0.000 2.750 148 I HA 0.671 4.846 4.170 0.007 0.000 0.308 148 I C -0.040 176.113 176.117 0.060 0.000 1.016 148 I CA -0.548 60.788 61.300 0.060 0.000 1.098 148 I CB 2.198 40.289 38.000 0.153 0.000 1.279 148 I HN 0.459 nan 8.210 nan 0.000 0.454 149 S N 2.724 118.426 115.700 0.003 0.000 2.530 149 S HA 0.632 5.107 4.470 0.007 0.000 0.322 149 S C -0.564 173.998 174.600 -0.063 0.000 1.085 149 S CA -0.229 57.937 58.200 -0.058 0.000 1.096 149 S CB 0.685 63.819 63.200 -0.109 0.000 0.988 149 S HN 0.919 nan 8.310 nan 0.000 0.466 150 T N 1.984 116.500 114.554 -0.064 0.000 2.868 150 T HA 0.425 4.780 4.350 0.007 0.000 0.306 150 T C -0.842 173.744 174.700 -0.189 0.000 1.224 150 T CA -0.621 61.394 62.100 -0.143 0.000 1.012 150 T CB 1.420 70.145 68.868 -0.238 0.000 1.221 150 T HN 0.692 nan 8.240 nan 0.000 0.499 151 D N 1.259 121.522 120.400 -0.229 0.000 2.431 151 D HA 0.207 4.852 4.640 0.007 0.000 0.213 151 D C 1.703 177.837 176.300 -0.276 0.000 1.130 151 D CA 0.220 54.076 54.000 -0.239 0.000 0.834 151 D CB -0.031 40.651 40.800 -0.197 0.000 0.985 151 D HN 0.523 nan 8.370 nan 0.000 0.504 152 A N 1.000 123.597 122.820 -0.372 0.000 1.958 152 A HA -0.193 4.131 4.320 0.007 0.000 0.221 152 A C 1.881 179.212 177.584 -0.421 0.000 1.178 152 A CA 1.566 53.349 52.037 -0.423 0.000 0.642 152 A CB -0.378 18.192 19.000 -0.716 0.000 0.816 152 A HN 0.206 nan 8.150 nan 0.000 0.453 153 M N -0.396 118.925 119.600 -0.466 0.000 2.404 153 M HA 0.231 4.715 4.480 0.007 0.000 0.271 153 M C -0.201 175.907 176.300 -0.320 0.000 1.128 153 M CA 0.140 55.202 55.300 -0.396 0.000 0.982 153 M CB 0.755 33.118 32.600 -0.396 0.000 1.445 153 M HN 0.204 nan 8.290 nan 0.000 0.495 154 Q N 0.175 119.797 119.800 -0.297 0.000 2.248 154 Q HA 0.446 4.790 4.340 0.007 0.000 0.263 154 Q C -1.780 174.007 176.000 -0.354 0.000 1.007 154 Q CA -1.887 53.744 55.803 -0.286 0.000 0.877 154 Q CB 0.873 29.449 28.738 -0.270 0.000 1.315 154 Q HN -0.015 nan 8.270 nan 0.000 0.454 155 P HA -0.018 nan 4.420 nan 0.000 0.220 155 P C -0.274 176.510 177.300 -0.860 0.000 1.152 155 P CA 0.991 63.711 63.100 -0.634 0.000 0.812 155 P CB 0.387 31.626 31.700 -0.768 0.000 0.792 156 F N 0.225 119.852 119.950 -0.538 0.000 2.469 156 F HA 0.278 4.809 4.527 0.008 0.000 0.332 156 F C 2.082 177.650 175.800 -0.386 0.000 1.103 156 F CA -0.635 57.048 58.000 -0.528 0.000 0.979 156 F CB 1.324 39.740 39.000 -0.973 0.000 1.137 156 F HN -0.230 nan 8.300 nan 0.000 0.463 157 S N 0.726 116.397 115.700 -0.050 0.000 2.370 157 S HA -0.198 4.276 4.470 0.007 0.000 0.226 157 S C 1.862 176.503 174.600 0.068 0.000 1.033 157 S CA 2.044 60.272 58.200 0.046 0.000 1.011 157 S CB -0.546 62.714 63.200 0.101 0.000 0.852 157 S HN 0.591 nan 8.310 nan 0.000 0.457 158 S N 1.474 117.183 115.700 0.016 0.000 2.500 158 S HA 0.188 4.662 4.470 0.007 0.000 0.239 158 S C 0.919 175.216 174.600 -0.505 0.000 0.989 158 S CA 0.707 58.769 58.200 -0.229 0.000 0.951 158 S CB -0.515 62.467 63.200 -0.363 0.000 0.759 158 S HN 0.598 nan 8.310 nan 0.000 0.523 159 M N 2.858 122.199 119.600 -0.432 0.000 3.709 159 M HA 0.032 4.516 4.480 0.007 0.000 0.197 159 M C 0.382 176.426 176.300 -0.426 0.000 1.511 159 M CA 0.116 55.154 55.300 -0.437 0.000 1.688 159 M CB -0.721 31.633 32.600 -0.411 0.000 1.109 159 M HN 0.077 nan 8.290 nan 0.000 0.561 160 T N -1.680 112.561 114.554 -0.521 0.000 4.313 160 T HA 0.205 4.560 4.350 0.007 0.000 0.272 160 T C 0.384 174.849 174.700 -0.392 0.000 1.298 160 T CA -0.686 61.112 62.100 -0.503 0.000 1.124 160 T CB -0.924 67.501 68.868 -0.739 0.000 1.352 160 T HN 0.447 nan 8.240 nan 0.000 1.013 161 C N 2.566 121.634 119.300 -0.387 0.000 2.727 161 C HA 0.289 4.753 4.460 0.007 0.000 0.401 161 C C 1.110 175.791 174.990 -0.515 0.000 1.294 161 C CA -0.885 57.841 59.018 -0.487 0.000 2.134 161 C CB -0.430 26.982 27.740 -0.548 0.000 2.724 161 C HN 0.719 nan 8.230 nan 0.000 0.677 162 L N 2.244 123.145 121.223 -0.537 0.000 2.326 162 L HA 0.418 4.762 4.340 0.007 0.000 0.278 162 L C -0.882 175.685 176.870 -0.505 0.000 1.092 162 L CA -0.070 54.543 54.840 -0.379 0.000 0.810 162 L CB 0.272 42.191 42.059 -0.234 0.000 1.153 162 L HN 0.629 nan 8.230 nan 0.000 0.439 163 Y N 1.567 121.859 120.300 -0.013 0.000 2.457 163 Y HA 0.420 4.975 4.550 0.008 0.000 0.343 163 Y C -0.078 175.896 175.900 0.124 0.000 0.994 163 Y CA -0.811 57.335 58.100 0.076 0.000 1.031 163 Y CB 1.889 40.422 38.460 0.122 0.000 1.246 163 Y HN 0.460 nan 8.280 nan 0.000 0.449 164 R N 2.374 123.050 120.500 0.293 0.000 2.254 164 R HA 0.604 4.949 4.340 0.007 0.000 0.318 164 R C -1.409 174.978 176.300 0.145 0.000 1.031 164 R CA -0.510 55.704 56.100 0.190 0.000 0.905 164 R CB 0.678 31.066 30.300 0.146 0.000 1.050 164 R HN 0.576 nan 8.270 nan 0.000 0.456 165 V N 4.810 124.781 119.914 0.094 0.000 2.508 165 V HA 0.147 4.272 4.120 0.007 0.000 0.281 165 V C 0.199 176.258 176.094 -0.059 0.000 1.041 165 V CA 0.213 62.471 62.300 -0.070 0.000 1.016 165 V CB 0.986 32.842 31.823 0.054 0.000 0.984 165 V HN 0.824 nan 8.190 nan 0.000 0.478 166 E N 3.573 123.652 120.200 -0.201 0.000 2.288 166 E HA 0.404 4.759 4.350 0.007 0.000 0.268 166 E C -0.190 176.351 176.600 -0.098 0.000 0.885 166 E CA -0.858 55.491 56.400 -0.084 0.000 0.767 166 E CB 1.309 30.979 29.700 -0.051 0.000 1.220 166 E HN 0.692 nan 8.360 nan 0.000 0.427 167 N N 2.828 121.514 118.700 -0.023 0.000 2.721 167 N HA -0.193 4.551 4.740 0.007 0.000 0.249 167 N C -1.062 174.433 175.510 -0.024 0.000 1.072 167 N CA 1.193 54.233 53.050 -0.017 0.000 0.710 167 N CB -0.853 37.612 38.487 -0.035 0.000 0.993 167 N HN 0.720 nan 8.380 nan 0.000 0.547 168 D N -1.488 118.915 120.400 0.005 0.000 2.723 168 D HA -0.165 4.480 4.640 0.007 0.000 0.236 168 D C 1.150 177.325 176.300 -0.207 0.000 1.138 168 D CA 2.221 56.181 54.000 -0.066 0.000 0.676 168 D CB -1.480 39.328 40.800 0.013 0.000 1.069 168 D HN 0.868 nan 8.370 nan 0.000 0.430 169 G N -1.428 107.212 108.800 -0.266 0.000 2.176 169 G HA2 -0.325 3.639 3.960 0.007 0.000 0.232 169 G HA3 -0.325 3.639 3.960 0.007 0.000 0.232 169 G C 1.078 175.931 174.900 -0.078 0.000 0.986 169 G CA 0.201 45.141 45.100 -0.266 0.000 0.643 169 G HN 0.405 nan 8.290 nan 0.000 0.522 170 I N 0.760 121.301 120.570 -0.048 0.000 2.133 170 I HA 0.055 4.230 4.170 0.007 0.000 0.238 170 I C 1.322 177.621 176.117 0.304 0.000 1.074 170 I CA 1.621 63.008 61.300 0.144 0.000 1.342 170 I CB -0.838 37.184 38.000 0.037 0.000 1.053 170 I HN 0.390 nan 8.210 nan 0.000 0.404 171 N N -0.666 118.058 118.700 0.040 0.000 2.362 171 N HA 0.401 5.146 4.740 0.007 0.000 0.299 171 N C -1.556 173.822 175.510 -0.219 0.000 1.170 171 N CA -0.379 52.754 53.050 0.138 0.000 0.825 171 N CB 1.448 39.985 38.487 0.083 0.000 1.299 171 N HN -0.155 nan 8.380 nan 0.000 0.502 172 F N 1.122 121.194 119.950 0.202 0.000 2.539 172 F HA 0.384 4.915 4.527 0.007 0.000 0.328 172 F C -0.659 175.253 175.800 0.186 0.000 1.148 172 F CA -0.802 57.278 58.000 0.133 0.000 0.940 172 F CB 1.662 40.647 39.000 -0.025 0.000 1.194 172 F HN 0.055 nan 8.300 nan 0.000 0.438 173 V N 5.658 125.760 119.914 0.313 0.000 2.350 173 V HA 0.374 4.499 4.120 0.007 0.000 0.276 173 V C -2.030 174.250 176.094 0.309 0.000 1.028 173 V CA -1.905 60.558 62.300 0.272 0.000 0.860 173 V CB 1.183 33.109 31.823 0.171 0.000 0.990 173 V HN 0.438 nan 8.190 nan 0.000 0.453 174 P HA 0.201 nan 4.420 nan 0.000 0.271 174 P C 0.394 177.695 177.300 0.001 0.000 1.216 174 P CA -0.088 63.064 63.100 0.086 0.000 0.776 174 P CB 1.442 33.184 31.700 0.071 0.000 0.881 175 L N 1.729 122.892 121.223 -0.101 0.000 2.567 175 L HA 0.056 4.401 4.340 0.007 0.000 0.225 175 L C 0.406 177.226 176.870 -0.085 0.000 1.119 175 L CA 0.177 54.987 54.840 -0.050 0.000 0.871 175 L CB -1.083 40.950 42.059 -0.043 0.000 1.036 175 L HN 0.445 nan 8.230 nan 0.000 0.459 176 N N 0.453 119.064 118.700 -0.148 0.000 2.707 176 N HA -0.227 4.518 4.740 0.007 0.000 0.253 176 N C 0.446 175.866 175.510 -0.148 0.000 0.998 176 N CA 0.202 53.178 53.050 -0.123 0.000 0.751 176 N CB -1.010 37.469 38.487 -0.014 0.000 0.920 176 N HN 0.340 nan 8.380 nan 0.000 0.539 177 L N -0.697 120.353 121.223 -0.288 0.000 2.728 177 L HA 0.306 4.650 4.340 0.007 0.000 0.238 177 L C 1.427 177.906 176.870 -0.652 0.000 1.143 177 L CA 0.275 54.884 54.840 -0.385 0.000 0.937 177 L CB -0.114 41.729 42.059 -0.360 0.000 1.225 177 L HN 0.499 nan 8.230 nan 0.000 0.507 178 G N 1.195 109.454 108.800 -0.901 0.000 2.760 178 G HA2 -0.181 3.783 3.960 0.007 0.000 0.246 178 G HA3 -0.181 3.783 3.960 0.007 0.000 0.246 178 G C -2.785 171.579 174.900 -0.894 0.000 1.359 178 G CA -0.948 43.178 45.100 -1.623 0.000 0.861 178 G HN 0.010 nan 8.290 nan 0.000 0.541 179 P HA 0.497 nan 4.420 nan 0.000 0.271 179 P C -0.147 176.954 177.300 -0.331 0.000 1.220 179 P CA 1.046 63.869 63.100 -0.462 0.000 0.768 179 P CB 1.234 32.708 31.700 -0.377 0.000 0.848 180 A N 2.649 125.310 122.820 -0.266 0.000 2.594 180 A HA 0.597 4.921 4.320 0.007 0.000 0.295 180 A C 0.562 178.097 177.584 -0.083 0.000 1.071 180 A CA -0.338 51.608 52.037 -0.152 0.000 0.685 180 A CB 0.971 19.868 19.000 -0.171 0.000 1.285 180 A HN 0.372 nan 8.150 nan 0.000 0.405 181 T N 0.143 114.719 114.554 0.037 0.000 2.978 181 T HA 0.256 4.611 4.350 0.007 0.000 0.248 181 T C -0.049 174.623 174.700 -0.046 0.000 1.018 181 T CA 1.179 63.334 62.100 0.091 0.000 1.026 181 T CB -0.163 68.888 68.868 0.305 0.000 1.032 181 T HN 0.718 nan 8.240 nan 0.000 0.485 182 H N -0.462 118.619 119.070 0.018 0.000 2.851 182 H HA 0.691 5.252 4.556 0.007 0.000 0.372 182 H C -1.471 173.862 175.328 0.008 0.000 1.158 182 H CA -1.021 55.047 56.048 0.032 0.000 1.159 182 H CB 1.916 31.711 29.762 0.054 0.000 1.757 182 H HN 0.038 nan 8.280 nan 0.000 0.546 183 I N 3.070 123.720 120.570 0.134 0.000 2.529 183 I HA 0.355 4.529 4.170 0.007 0.000 0.284 183 I C -1.824 174.345 176.117 0.086 0.000 1.088 183 I CA -0.177 61.148 61.300 0.042 0.000 1.062 183 I CB 0.346 38.355 38.000 0.015 0.000 1.218 183 I HN 0.486 nan 8.210 nan 0.000 0.442 184 L N 6.285 127.512 121.223 0.006 0.000 2.304 184 L HA 0.672 5.016 4.340 0.007 0.000 0.268 184 L C -1.154 175.653 176.870 -0.106 0.000 1.010 184 L CA -0.825 54.091 54.840 0.127 0.000 0.813 184 L CB 1.470 43.625 42.059 0.159 0.000 1.315 184 L HN 0.362 nan 8.230 nan 0.000 0.445 185 F N 0.194 120.235 119.950 0.151 0.000 2.565 185 F HA 0.757 5.289 4.527 0.007 0.000 0.313 185 F C -0.148 175.726 175.800 0.123 0.000 1.091 185 F CA -0.659 57.422 58.000 0.135 0.000 0.915 185 F CB 2.190 41.268 39.000 0.130 0.000 1.208 185 F HN 0.386 nan 8.300 nan 0.000 0.453 186 A N 1.948 124.926 122.820 0.263 0.000 2.456 186 A HA 0.564 4.889 4.320 0.007 0.000 0.288 186 A C -0.890 176.811 177.584 0.196 0.000 1.042 186 A CA -0.802 51.363 52.037 0.213 0.000 0.738 186 A CB 0.643 19.754 19.000 0.185 0.000 1.266 186 A HN 0.871 nan 8.150 nan 0.000 0.407 187 D N 1.870 122.388 120.400 0.196 0.000 2.708 187 D HA -0.211 4.434 4.640 0.007 0.000 0.236 187 D C 1.075 177.456 176.300 0.136 0.000 1.146 187 D CA 2.436 56.532 54.000 0.160 0.000 0.662 187 D CB -1.265 39.624 40.800 0.149 0.000 1.059 187 D HN 2.227 nan 8.370 nan 0.000 0.428 188 G N 0.055 108.959 108.800 0.172 0.000 2.160 188 G HA2 -0.362 3.602 3.960 0.007 0.000 0.251 188 G HA3 -0.362 3.602 3.960 0.007 0.000 0.251 188 G C 0.175 175.170 174.900 0.158 0.000 1.008 188 G CA 0.509 45.714 45.100 0.174 0.000 0.724 188 G HN 0.516 nan 8.290 nan 0.000 0.514 189 R N 0.035 120.623 120.500 0.147 0.000 2.437 189 R HA 0.441 4.786 4.340 0.007 0.000 0.310 189 R C 0.303 176.598 176.300 -0.009 0.000 0.955 189 R CA -0.954 55.173 56.100 0.046 0.000 0.851 189 R CB 1.375 31.683 30.300 0.013 0.000 1.161 189 R HN 0.234 nan 8.270 nan 0.000 0.446 190 R N 1.658 122.105 120.500 -0.088 0.000 2.389 190 R HA 0.228 4.572 4.340 0.007 0.000 0.295 190 R C -0.357 175.917 176.300 -0.043 0.000 1.075 190 R CA -0.295 55.677 56.100 -0.212 0.000 1.005 190 R CB 0.823 31.144 30.300 0.036 0.000 0.987 190 R HN 0.224 nan 8.270 nan 0.000 0.452 191 V N 5.728 125.575 119.914 -0.112 0.000 2.378 191 V HA 0.372 4.497 4.120 0.007 0.000 0.288 191 V C 0.133 176.260 176.094 0.054 0.000 1.016 191 V CA -0.609 61.716 62.300 0.043 0.000 0.840 191 V CB 1.436 33.284 31.823 0.042 0.000 0.994 191 V HN 0.621 nan 8.190 nan 0.000 0.431 192 I N 3.867 124.527 120.570 0.149 0.000 2.354 192 I HA 0.604 4.779 4.170 0.007 0.000 0.292 192 I C 0.798 176.983 176.117 0.114 0.000 0.989 192 I CA -0.283 61.068 61.300 0.086 0.000 1.188 192 I CB 1.837 39.837 38.000 0.000 0.000 1.342 192 I HN 0.710 nan 8.210 nan 0.000 0.457 193 G N 6.261 115.112 108.800 0.085 0.000 2.415 193 G HA2 0.486 4.451 3.960 0.007 0.000 0.317 193 G HA3 0.486 4.451 3.960 0.007 0.000 0.317 193 G C -0.372 174.567 174.900 0.064 0.000 1.152 193 G CA -0.605 44.532 45.100 0.061 0.000 0.956 193 G HN 0.537 nan 8.290 nan 0.000 0.458 194 R N 2.148 122.678 120.500 0.050 0.000 2.221 194 R HA 0.195 4.540 4.340 0.007 0.000 0.327 194 R C 0.258 176.559 176.300 0.002 0.000 1.033 194 R CA -0.389 55.737 56.100 0.044 0.000 0.887 194 R CB 0.649 31.000 30.300 0.084 0.000 1.057 194 R HN 0.844 nan 8.270 nan 0.000 0.455 195 N N 0.235 118.935 118.700 0.001 0.000 2.725 195 N HA -0.195 4.549 4.740 0.007 0.000 0.249 195 N C 0.034 175.216 175.510 -0.546 0.000 1.103 195 N CA 0.948 53.850 53.050 -0.248 0.000 0.707 195 N CB -0.771 37.732 38.487 0.026 0.000 1.043 195 N HN 0.715 nan 8.380 nan 0.000 0.553 196 T N -2.486 111.878 114.554 -0.316 0.000 3.272 196 T HA 0.202 4.556 4.350 0.007 0.000 0.250 196 T C 0.495 175.167 174.700 -0.046 0.000 1.082 196 T CA -0.462 61.486 62.100 -0.252 0.000 0.968 196 T CB -0.582 68.153 68.868 -0.220 0.000 1.015 196 T HN 0.348 nan 8.240 nan 0.000 0.563 197 F N 0.726 120.919 119.950 0.404 0.000 2.375 197 F HA 0.672 5.204 4.527 0.008 0.000 0.313 197 F C 0.437 176.500 175.800 0.438 0.000 1.176 197 F CA -1.828 56.415 58.000 0.406 0.000 1.142 197 F CB 0.303 39.515 39.000 0.352 0.000 1.275 197 F HN -0.165 nan 8.300 nan 0.000 0.544 198 E N 0.994 121.563 120.200 0.616 0.000 2.366 198 E HA 0.266 4.621 4.350 0.007 0.000 0.266 198 E C -0.513 176.350 176.600 0.438 0.000 1.051 198 E CA -0.117 56.568 56.400 0.476 0.000 0.884 198 E CB 1.247 31.175 29.700 0.381 0.000 1.006 198 E HN 0.620 nan 8.360 nan 0.000 0.417 199 L N 4.059 125.407 121.223 0.209 0.000 2.556 199 L HA 0.180 4.524 4.340 0.007 0.000 0.243 199 L C -1.546 175.279 176.870 -0.075 0.000 1.331 199 L CA -1.350 53.482 54.840 -0.013 0.000 0.927 199 L CB 1.146 42.987 42.059 -0.363 0.000 1.219 199 L HN 0.226 nan 8.230 nan 0.000 0.490 200 P HA -0.194 nan 4.420 nan 0.000 0.220 200 P C 1.183 178.503 177.300 0.034 0.000 1.148 200 P CA 1.365 64.491 63.100 0.045 0.000 0.803 200 P CB -0.073 31.697 31.700 0.117 0.000 0.782 201 H N -4.000 115.135 119.070 0.108 0.000 2.546 201 H HA -0.023 4.537 4.556 0.008 0.000 0.277 201 H C 0.015 175.455 175.328 0.187 0.000 1.004 201 H CA 0.282 56.402 56.048 0.120 0.000 1.231 201 H CB -0.499 29.357 29.762 0.156 0.000 1.382 201 H HN 0.196 nan 8.280 nan 0.000 0.580 202 W N 2.842 123.920 121.300 -0.370 0.000 2.451 202 W HA 0.381 5.045 4.660 0.008 0.000 0.285 202 W C -1.079 175.368 176.519 -0.120 0.000 1.024 202 W CA -1.917 55.308 57.345 -0.200 0.000 1.421 202 W CB 0.552 29.852 29.460 -0.267 0.000 1.319 202 W HN -0.154 nan 8.180 nan 0.000 0.366 203 K N 1.299 121.858 120.400 0.265 0.000 2.237 203 K HA 0.460 4.784 4.320 0.007 0.000 0.270 203 K C 1.104 177.856 176.600 0.252 0.000 1.015 203 K CA 0.663 57.038 56.287 0.147 0.000 0.949 203 K CB 0.758 33.247 32.500 -0.018 0.000 0.976 203 K HN 0.578 nan 8.250 nan 0.000 0.472 204 G N 1.755 110.665 108.800 0.183 0.000 2.179 204 G HA2 -0.318 3.647 3.960 0.007 0.000 0.257 204 G HA3 -0.318 3.647 3.960 0.007 0.000 0.257 204 G C -0.322 174.565 174.900 -0.021 0.000 1.010 204 G CA 0.282 45.458 45.100 0.126 0.000 0.736 204 G HN 0.651 nan 8.290 nan 0.000 0.513 205 Y N 0.896 120.974 120.300 -0.370 0.000 2.620 205 Y HA 0.443 4.998 4.550 0.008 0.000 0.330 205 Y C 1.236 176.867 175.900 -0.449 0.000 1.186 205 Y CA -0.157 57.419 58.100 -0.874 0.000 1.467 205 Y CB 0.439 38.158 38.460 -1.235 0.000 1.262 205 Y HN 0.205 nan 8.280 nan 0.000 0.550 206 R N 4.069 123.924 120.500 -1.075 0.000 2.642 206 R HA 0.285 4.629 4.340 0.007 0.000 0.435 206 R C 0.552 176.326 176.300 -0.876 0.000 1.046 206 R CA 0.042 55.692 56.100 -0.750 0.000 1.103 206 R CB 0.574 30.699 30.300 -0.291 0.000 1.425 206 R HN 0.819 nan 8.270 nan 0.000 0.586 207 G N -0.704 107.055 108.800 -1.736 0.000 2.588 207 G HA2 0.279 4.244 3.960 0.007 0.000 0.281 207 G HA3 0.279 4.244 3.960 0.007 0.000 0.281 207 G C 0.956 175.586 174.900 -0.450 0.000 1.236 207 G CA -0.217 44.360 45.100 -0.872 0.000 0.969 207 G HN 0.178 nan 8.290 nan 0.000 0.504 208 G N -1.503 107.191 108.800 -0.177 0.000 2.509 208 G HA2 -0.031 3.934 3.960 0.007 0.000 0.218 208 G HA3 -0.031 3.934 3.960 0.007 0.000 0.218 208 G C 1.184 176.089 174.900 0.009 0.000 1.124 208 G CA 1.396 46.431 45.100 -0.108 0.000 0.776 208 G HN 0.608 nan 8.290 nan 0.000 0.547 209 T N 0.679 115.380 114.554 0.245 0.000 3.163 209 T HA 0.172 4.527 4.350 0.007 0.000 0.252 209 T C 0.967 175.894 174.700 0.378 0.000 1.056 209 T CA -0.626 61.637 62.100 0.271 0.000 0.947 209 T CB -0.029 69.107 68.868 0.446 0.000 1.016 209 T HN 0.556 nan 8.240 nan 0.000 0.554 210 R N 1.369 122.068 120.500 0.331 0.000 2.623 210 R HA 0.405 4.749 4.340 0.007 0.000 0.271 210 R C 0.564 176.950 176.300 0.143 0.000 1.043 210 R CA -0.481 55.823 56.100 0.340 0.000 1.083 210 R CB 0.038 30.321 30.300 -0.027 0.000 0.974 210 R HN 0.112 nan 8.270 nan 0.000 0.436 211 G N 2.640 111.473 108.800 0.054 0.000 2.305 211 G HA2 0.071 4.035 3.960 0.007 0.000 0.243 211 G HA3 0.071 4.035 3.960 0.007 0.000 0.243 211 G C -0.661 174.091 174.900 -0.246 0.000 1.288 211 G CA -0.403 44.537 45.100 -0.267 0.000 0.901 211 G HN 0.620 nan 8.290 nan 0.000 0.516 212 K N 1.018 121.330 120.400 -0.146 0.000 2.443 212 K HA 0.575 4.899 4.320 0.007 0.000 0.251 212 K C -0.831 175.732 176.600 -0.062 0.000 0.972 212 K CA -0.826 55.384 56.287 -0.128 0.000 0.833 212 K CB 2.611 35.100 32.500 -0.019 0.000 1.317 212 K HN 0.371 nan 8.250 nan 0.000 0.441 213 I N 1.069 121.569 120.570 -0.117 0.000 2.465 213 I HA 0.397 4.572 4.170 0.007 0.000 0.291 213 I C -1.104 175.024 176.117 0.017 0.000 1.014 213 I CA -0.751 60.541 61.300 -0.014 0.000 1.093 213 I CB 1.130 39.068 38.000 -0.104 0.000 1.267 213 I HN 0.433 nan 8.210 nan 0.000 0.431 214 W N 6.113 127.418 121.300 0.009 0.000 2.703 214 W HA 0.794 5.458 4.660 0.007 0.000 0.359 214 W C -0.528 176.077 176.519 0.143 0.000 1.168 214 W CA -0.608 56.792 57.345 0.092 0.000 1.177 214 W CB 1.209 30.755 29.460 0.142 0.000 1.434 214 W HN 0.202 nan 8.180 nan 0.000 0.618 215 I N 0.407 121.247 120.570 0.450 0.000 2.775 215 I HA 0.163 4.338 4.170 0.007 0.000 0.295 215 I C -0.696 175.414 176.117 -0.012 0.000 1.287 215 I CA -0.807 60.625 61.300 0.221 0.000 1.029 215 I CB 1.822 39.873 38.000 0.086 0.000 1.282 215 I HN 0.396 nan 8.210 nan 0.000 0.426 216 E N 4.187 124.138 120.200 -0.415 0.000 2.366 216 E HA 0.318 4.672 4.350 0.007 0.000 0.266 216 E C 0.067 176.468 176.600 -0.332 0.000 1.051 216 E CA 0.025 55.906 56.400 -0.865 0.000 0.884 216 E CB 1.179 30.345 29.700 -0.891 0.000 1.006 216 E HN 0.493 nan 8.360 nan 0.000 0.417 217 V N 0.292 120.047 119.914 -0.265 0.000 3.332 217 V HA 0.319 4.444 4.120 0.007 0.000 0.263 217 V C 0.122 176.161 176.094 -0.091 0.000 1.562 217 V CA -0.003 62.226 62.300 -0.119 0.000 1.040 217 V CB 0.366 32.152 31.823 -0.063 0.000 0.857 217 V HN 0.577 nan 8.190 nan 0.000 0.428 218 N N 1.817 120.452 118.700 -0.109 0.000 2.726 218 N HA 0.225 4.970 4.740 0.007 0.000 0.253 218 N C 0.396 175.878 175.510 -0.047 0.000 1.530 218 N CA 0.580 53.594 53.050 -0.060 0.000 0.772 218 N CB 0.640 39.102 38.487 -0.042 0.000 1.220 218 N HN 0.572 nan 8.380 nan 0.000 0.508 219 S N 0.159 115.831 115.700 -0.046 0.000 3.228 219 S HA -0.186 4.289 4.470 0.007 0.000 0.352 219 S C 1.136 175.759 174.600 0.039 0.000 0.856 219 S CA 1.123 59.321 58.200 -0.003 0.000 1.263 219 S CB -1.770 61.446 63.200 0.025 0.000 0.842 219 S HN 1.020 nan 8.310 nan 0.000 0.446 220 G N -1.374 107.446 108.800 0.034 0.000 3.468 220 G HA2 0.391 4.356 3.960 0.007 0.000 0.219 220 G HA3 0.391 4.356 3.960 0.007 0.000 0.219 220 G C 0.038 175.080 174.900 0.236 0.000 0.968 220 G CA -0.078 45.129 45.100 0.178 0.000 0.851 220 G HN 1.736 nan 8.290 nan 0.000 0.524 221 A N 0.477 123.323 122.820 0.043 0.000 2.290 221 A HA 0.838 5.163 4.320 0.007 0.000 0.310 221 A C -1.021 176.603 177.584 0.067 0.000 1.202 221 A CA -0.264 51.796 52.037 0.039 0.000 0.837 221 A CB 0.599 19.555 19.000 -0.072 0.000 1.139 221 A HN 0.359 nan 8.150 nan 0.000 0.509 222 F N 1.012 121.158 119.950 0.327 0.000 2.522 222 F HA 0.627 5.158 4.527 0.008 0.000 0.324 222 F C 0.403 176.524 175.800 0.536 0.000 1.077 222 F CA -0.399 57.861 58.000 0.432 0.000 0.944 222 F CB 2.392 41.651 39.000 0.431 0.000 1.175 222 F HN 0.566 nan 8.300 nan 0.000 0.468 223 K N 2.965 123.720 120.400 0.592 0.000 2.482 223 K HA 0.323 4.647 4.320 0.007 0.000 0.251 223 K C -1.190 175.397 176.600 -0.021 0.000 0.936 223 K CA -0.841 55.618 56.287 0.287 0.000 0.791 223 K CB 1.808 34.364 32.500 0.095 0.000 1.213 223 K HN 0.677 nan 8.250 nan 0.000 0.428 224 K N 5.654 125.579 120.400 -0.792 0.000 2.383 224 K HA 0.102 4.426 4.320 0.007 0.000 0.286 224 K C 0.843 177.109 176.600 -0.557 0.000 1.051 224 K CA -0.010 55.495 56.287 -1.303 0.000 0.974 224 K CB 0.300 31.681 32.500 -1.866 0.000 0.968 224 K HN 0.707 nan 8.250 nan 0.000 0.475 225 I N 0.849 121.196 120.570 -0.372 0.000 4.032 225 I HA 0.153 4.327 4.170 0.007 0.000 0.313 225 I C -0.455 175.539 176.117 -0.205 0.000 1.272 225 I CA -0.498 60.674 61.300 -0.213 0.000 1.307 225 I CB 0.912 38.850 38.000 -0.102 0.000 1.155 225 I HN 0.069 nan 8.210 nan 0.000 0.431 226 V N 3.151 122.913 119.914 -0.253 0.000 2.376 226 V HA 0.447 4.572 4.120 0.007 0.000 0.287 226 V C -1.273 174.634 176.094 -0.312 0.000 1.015 226 V CA -0.199 61.932 62.300 -0.282 0.000 0.834 226 V CB 1.319 32.908 31.823 -0.391 0.000 1.001 226 V HN 0.250 nan 8.190 nan 0.000 0.428 227 D N 5.159 125.398 120.400 -0.268 0.000 2.714 227 D HA 0.342 4.986 4.640 0.007 0.000 0.264 227 D C -0.123 176.059 176.300 -0.197 0.000 1.231 227 D CA -0.269 53.590 54.000 -0.235 0.000 0.802 227 D CB 0.744 41.408 40.800 -0.227 0.000 1.319 227 D HN 0.379 nan 8.370 nan 0.000 0.528 228 M N -0.034 119.435 119.600 -0.219 0.000 2.055 228 M HA 0.101 4.586 4.480 0.007 0.000 0.279 228 M C 2.070 178.279 176.300 -0.152 0.000 1.236 228 M CA -0.052 55.142 55.300 -0.176 0.000 1.074 228 M CB 0.887 33.368 32.600 -0.199 0.000 1.394 228 M HN 0.198 nan 8.290 nan 0.000 0.492 229 S N -1.438 114.189 115.700 -0.123 0.000 2.428 229 S HA -0.036 4.438 4.470 0.007 0.000 0.230 229 S C 0.860 175.374 174.600 -0.144 0.000 1.014 229 S CA 0.890 59.025 58.200 -0.108 0.000 0.957 229 S CB -0.750 62.407 63.200 -0.071 0.000 0.784 229 S HN 0.847 nan 8.310 nan 0.000 0.499 230 T N -0.999 113.474 114.554 -0.135 0.000 2.893 230 T HA 0.450 4.804 4.350 0.007 0.000 0.279 230 T C -0.267 174.372 174.700 -0.102 0.000 0.991 230 T CA -0.705 61.321 62.100 -0.123 0.000 0.950 230 T CB 0.456 69.290 68.868 -0.057 0.000 1.223 230 T HN 0.360 nan 8.240 nan 0.000 0.585 231 H N -0.777 118.219 119.070 -0.123 0.000 2.722 231 H HA 0.504 5.064 4.556 0.007 0.000 0.328 231 H C -0.908 174.373 175.328 -0.078 0.000 1.067 231 H CA -0.071 55.938 56.048 -0.065 0.000 1.447 231 H CB 0.247 30.039 29.762 0.050 0.000 1.469 231 H HN 0.454 nan 8.280 nan 0.000 0.544 232 V N 5.740 125.242 119.914 -0.688 0.000 2.384 232 V HA 0.345 4.469 4.120 0.007 0.000 0.287 232 V C -0.336 175.382 176.094 -0.626 0.000 1.020 232 V CA -0.275 61.694 62.300 -0.551 0.000 0.850 232 V CB 1.182 32.616 31.823 -0.649 0.000 0.987 232 V HN 0.991 nan 8.190 nan 0.000 0.436 233 S N 2.438 117.982 115.700 -0.260 0.000 2.634 233 S HA 0.651 5.125 4.470 0.007 0.000 0.296 233 S C -0.077 174.515 174.600 -0.013 0.000 1.104 233 S CA -0.406 57.728 58.200 -0.109 0.000 0.920 233 S CB 1.790 65.073 63.200 0.139 0.000 1.111 233 S HN 0.973 nan 8.310 nan 0.000 0.493 234 S N 2.030 117.699 115.700 -0.052 0.000 3.356 234 S HA -0.074 4.401 4.470 0.007 0.000 0.376 234 S C -2.272 172.307 174.600 -0.036 0.000 0.924 234 S CA 0.588 58.768 58.200 -0.033 0.000 1.316 234 S CB -1.741 61.545 63.200 0.144 0.000 0.922 234 S HN 0.792 nan 8.310 nan 0.000 0.553 235 P HA 0.513 nan 4.420 nan 0.000 0.279 235 P C -0.156 177.211 177.300 0.111 0.000 1.239 235 P CA -0.387 62.727 63.100 0.024 0.000 0.789 235 P CB 1.373 33.044 31.700 -0.049 0.000 0.933 236 V N 0.595 120.626 119.914 0.195 0.000 3.114 236 V HA 0.618 4.743 4.120 0.007 0.000 0.308 236 V C -0.490 175.756 176.094 0.254 0.000 1.168 236 V CA -1.088 61.337 62.300 0.210 0.000 1.015 236 V CB 2.379 34.312 31.823 0.183 0.000 1.050 236 V HN 0.335 nan 8.190 nan 0.000 0.433 237 I N 1.975 122.676 120.570 0.219 0.000 2.448 237 I HA 0.489 4.664 4.170 0.007 0.000 0.281 237 I C -1.018 175.197 176.117 0.163 0.000 1.027 237 I CA -0.707 60.728 61.300 0.224 0.000 1.111 237 I CB 1.989 40.097 38.000 0.180 0.000 1.236 237 I HN 0.436 nan 8.210 nan 0.000 0.452 238 V N 6.410 126.443 119.914 0.197 0.000 2.334 238 V HA 0.685 4.810 4.120 0.007 0.000 0.281 238 V C 0.875 177.026 176.094 0.095 0.000 1.016 238 V CA 0.385 62.726 62.300 0.068 0.000 0.832 238 V CB 0.553 32.314 31.823 -0.103 0.000 0.999 238 V HN 1.100 nan 8.190 nan 0.000 0.439 239 G N 4.886 113.663 108.800 -0.038 0.000 2.720 239 G HA2 -0.292 3.672 3.960 0.007 0.000 0.293 239 G HA3 -0.292 3.672 3.960 0.007 0.000 0.293 239 G C 0.198 174.861 174.900 -0.394 0.000 1.256 239 G CA 0.733 45.728 45.100 -0.175 0.000 0.974 239 G HN 0.852 nan 8.290 nan 0.000 0.551 240 H N 1.174 120.324 119.070 0.133 0.000 2.651 240 H HA 0.538 5.099 4.556 0.007 0.000 0.241 240 H C 0.481 175.875 175.328 0.110 0.000 1.225 240 H CA -0.317 55.798 56.048 0.112 0.000 0.942 240 H CB 0.545 30.356 29.762 0.081 0.000 1.996 240 H HN 0.409 nan 8.280 nan 0.000 0.600 241 R N 0.843 121.470 120.500 0.210 0.000 2.686 241 R HA 0.498 4.842 4.340 0.007 0.000 0.283 241 R C -0.985 175.403 176.300 0.147 0.000 0.978 241 R CA -0.881 55.287 56.100 0.114 0.000 0.897 241 R CB 2.561 32.865 30.300 0.007 0.000 1.192 241 R HN 0.112 nan 8.270 nan 0.000 0.457 242 I N 3.083 123.686 120.570 0.055 0.000 2.315 242 I HA 0.256 4.431 4.170 0.007 0.000 0.291 242 I C -0.770 175.347 176.117 0.001 0.000 1.006 242 I CA -0.572 60.824 61.300 0.160 0.000 1.265 242 I CB 0.502 38.631 38.000 0.216 0.000 1.387 242 I HN 0.354 nan 8.210 nan 0.000 0.475 243 Y N 7.051 127.362 120.300 0.019 0.000 2.330 243 Y HA 0.574 5.128 4.550 0.007 0.000 0.336 243 Y C -0.011 175.847 175.900 -0.069 0.000 1.036 243 Y CA -0.678 57.319 58.100 -0.173 0.000 1.125 243 Y CB 1.027 39.390 38.460 -0.161 0.000 1.194 243 Y HN 0.450 nan 8.280 nan 0.000 0.469 244 F N 0.157 120.164 119.950 0.096 0.000 2.894 244 F HA 0.871 5.402 4.527 0.007 0.000 0.332 244 F C -1.591 174.246 175.800 0.061 0.000 1.192 244 F CA -2.051 55.969 58.000 0.034 0.000 0.980 244 F CB 1.091 40.066 39.000 -0.041 0.000 1.448 244 F HN 0.121 nan 8.300 nan 0.000 0.514 245 I N 0.458 121.270 120.570 0.404 0.000 2.608 245 I HA 0.659 4.834 4.170 0.007 0.000 0.295 245 I C -0.598 175.698 176.117 0.298 0.000 1.049 245 I CA -0.567 60.910 61.300 0.295 0.000 1.063 245 I CB 2.274 40.388 38.000 0.189 0.000 1.248 245 I HN 0.855 nan 8.210 nan 0.000 0.424 246 T N 1.823 116.528 114.554 0.252 0.000 2.769 246 T HA 0.289 4.644 4.350 0.007 0.000 0.306 246 T C -1.789 172.991 174.700 0.134 0.000 1.400 246 T CA -0.544 61.628 62.100 0.120 0.000 1.007 246 T CB 1.522 70.365 68.868 -0.042 0.000 1.392 246 T HN 0.769 nan 8.240 nan 0.000 0.500 247 D N 2.043 122.506 120.400 0.104 0.000 2.891 247 D HA 0.162 4.806 4.640 0.007 0.000 0.332 247 D C 1.214 177.566 176.300 0.088 0.000 1.369 247 D CA -0.401 53.665 54.000 0.110 0.000 0.827 247 D CB -0.476 40.424 40.800 0.166 0.000 1.141 247 D HN 0.490 nan 8.370 nan 0.000 0.464 248 I N 0.058 120.644 120.570 0.027 0.000 2.454 248 I HA -0.214 3.961 4.170 0.007 0.000 0.254 248 I C 0.530 176.680 176.117 0.056 0.000 1.156 248 I CA 1.266 62.569 61.300 0.005 0.000 1.433 248 I CB 0.361 38.314 38.000 -0.077 0.000 1.082 248 I HN -0.164 nan 8.210 nan 0.000 0.432 249 D N 0.629 121.095 120.400 0.110 0.000 2.349 249 D HA 0.146 4.791 4.640 0.007 0.000 0.224 249 D C 1.437 177.808 176.300 0.119 0.000 1.029 249 D CA 1.051 55.120 54.000 0.116 0.000 0.879 249 D CB 0.519 41.407 40.800 0.146 0.000 0.906 249 D HN 0.550 nan 8.370 nan 0.000 0.528 250 G N -0.407 108.477 108.800 0.139 0.000 2.192 250 G HA2 -0.193 3.772 3.960 0.007 0.000 0.193 250 G HA3 -0.193 3.772 3.960 0.007 0.000 0.193 250 G C 0.065 175.123 174.900 0.262 0.000 0.999 250 G CA -0.285 44.920 45.100 0.175 0.000 0.659 250 G HN 0.292 nan 8.290 nan 0.000 0.503 251 F N 0.228 120.162 119.950 -0.027 0.000 2.693 251 F HA 0.585 5.117 4.527 0.007 0.000 0.309 251 F C 0.408 176.008 175.800 -0.333 0.000 1.129 251 F CA -0.096 57.734 58.000 -0.284 0.000 0.948 251 F CB 1.087 39.945 39.000 -0.236 0.000 1.315 251 F HN 0.395 nan 8.300 nan 0.000 0.447 252 G N 3.331 111.368 108.800 -1.272 0.000 2.378 252 G HA2 0.511 4.476 3.960 0.007 0.000 0.255 252 G HA3 0.511 4.476 3.960 0.007 0.000 0.255 252 G C -1.224 173.687 174.900 0.019 0.000 1.270 252 G CA -0.078 44.742 45.100 -0.466 0.000 0.876 252 G HN 0.444 nan 8.290 nan 0.000 0.521 253 Q N 0.693 120.595 119.800 0.170 0.000 2.590 253 Q HA 0.383 4.727 4.340 0.007 0.000 0.295 253 Q C -0.682 175.374 176.000 0.092 0.000 0.973 253 Q CA -0.715 55.158 55.803 0.117 0.000 0.768 253 Q CB 2.240 30.962 28.738 -0.026 0.000 1.479 253 Q HN 0.535 nan 8.270 nan 0.000 0.419 254 I N 1.146 121.604 120.570 -0.186 0.000 2.385 254 I HA 0.436 4.610 4.170 0.007 0.000 0.294 254 I C -0.854 175.098 176.117 -0.274 0.000 0.988 254 I CA -0.443 60.727 61.300 -0.217 0.000 1.265 254 I CB 0.656 38.361 38.000 -0.492 0.000 1.388 254 I HN 0.436 nan 8.210 nan 0.000 0.480 255 Y N 2.489 122.587 120.300 -0.338 0.000 2.705 255 Y HA 0.663 5.218 4.550 0.007 0.000 0.332 255 Y C 0.015 175.475 175.900 -0.732 0.000 1.157 255 Y CA -0.842 57.052 58.100 -0.343 0.000 1.091 255 Y CB 1.951 40.130 38.460 -0.468 0.000 1.301 255 Y HN 0.584 nan 8.280 nan 0.000 0.488 256 S N -0.655 114.798 115.700 -0.412 0.000 2.587 256 S HA 0.845 5.319 4.470 0.007 0.000 0.269 256 S C -1.131 173.308 174.600 -0.268 0.000 1.154 256 S CA -0.383 57.420 58.200 -0.661 0.000 0.824 256 S CB 1.890 64.282 63.200 -1.346 0.000 1.118 256 S HN 1.126 nan 8.310 nan 0.000 0.462 257 T N -1.623 112.835 114.554 -0.161 0.000 2.840 257 T HA 0.647 5.002 4.350 0.007 0.000 0.317 257 T C -1.204 173.496 174.700 -0.001 0.000 1.401 257 T CA -0.643 61.448 62.100 -0.015 0.000 1.028 257 T CB 0.763 69.689 68.868 0.096 0.000 1.317 257 T HN 0.854 nan 8.240 nan 0.000 0.495 258 D N 0.912 121.324 120.400 0.020 0.000 2.369 258 D HA 0.154 4.798 4.640 0.007 0.000 0.241 258 D C 1.131 177.466 176.300 0.058 0.000 1.271 258 D CA -0.840 53.187 54.000 0.045 0.000 0.942 258 D CB 0.240 41.061 40.800 0.036 0.000 1.129 258 D HN 0.553 nan 8.370 nan 0.000 0.476 259 L N -0.462 120.805 121.223 0.073 0.000 2.869 259 L HA 0.032 4.377 4.340 0.007 0.000 0.259 259 L C 0.384 177.276 176.870 0.037 0.000 1.162 259 L CA 0.713 55.596 54.840 0.070 0.000 0.975 259 L CB -0.651 41.461 42.059 0.088 0.000 1.217 259 L HN 0.394 nan 8.230 nan 0.000 0.418 260 D N -0.374 120.040 120.400 0.023 0.000 2.594 260 D HA 0.120 4.764 4.640 0.007 0.000 0.256 260 D C 1.378 177.670 176.300 -0.013 0.000 1.393 260 D CA 0.614 54.613 54.000 -0.001 0.000 0.797 260 D CB 1.238 42.035 40.800 -0.005 0.000 1.110 260 D HN 0.283 nan 8.370 nan 0.000 0.495 261 G N 1.826 110.627 108.800 0.002 0.000 2.180 261 G HA2 -0.287 3.677 3.960 0.007 0.000 0.263 261 G HA3 -0.287 3.677 3.960 0.007 0.000 0.263 261 G C 0.558 175.458 174.900 -0.000 0.000 0.989 261 G CA 0.672 45.769 45.100 -0.004 0.000 0.692 261 G HN 0.107 nan 8.290 nan 0.000 0.526 262 K N 0.038 120.440 120.400 0.003 0.000 2.210 262 K HA 0.537 4.861 4.320 0.007 0.000 0.236 262 K C 0.504 177.108 176.600 0.008 0.000 1.016 262 K CA -0.380 55.907 56.287 -0.000 0.000 0.913 262 K CB 0.520 33.016 32.500 -0.007 0.000 1.141 262 K HN 0.155 nan 8.250 nan 0.000 0.462 263 D N 0.847 121.248 120.400 0.002 0.000 2.746 263 D HA -0.179 4.465 4.640 0.007 0.000 0.241 263 D C -0.886 175.414 176.300 -0.000 0.000 1.140 263 D CA 0.168 54.167 54.000 -0.001 0.000 0.707 263 D CB -0.838 39.962 40.800 -0.001 0.000 1.034 263 D HN 0.382 nan 8.370 nan 0.000 0.423 264 L N 1.308 122.539 121.223 0.014 0.000 2.456 264 L HA 0.404 4.748 4.340 0.007 0.000 0.272 264 L C 0.333 177.208 176.870 0.009 0.000 1.189 264 L CA 0.701 55.565 54.840 0.039 0.000 0.846 264 L CB 0.482 42.580 42.059 0.066 0.000 1.111 264 L HN 0.257 nan 8.230 nan 0.000 0.475 265 R N 3.834 124.330 120.500 -0.007 0.000 2.564 265 R HA 0.344 4.688 4.340 0.007 0.000 0.284 265 R C -1.279 174.832 176.300 -0.315 0.000 1.031 265 R CA -0.936 55.052 56.100 -0.187 0.000 0.904 265 R CB 1.640 31.731 30.300 -0.348 0.000 1.199 265 R HN 0.529 nan 8.270 nan 0.000 0.443 266 K N 2.326 122.462 120.400 -0.440 0.000 2.253 266 K HA 0.202 4.526 4.320 0.007 0.000 0.277 266 K C -0.281 175.921 176.600 -0.664 0.000 1.053 266 K CA -0.200 55.604 56.287 -0.806 0.000 0.892 266 K CB 0.615 32.793 32.500 -0.536 0.000 1.102 266 K HN 0.635 nan 8.250 nan 0.000 0.469 267 H N 0.634 119.373 119.070 -0.553 0.000 2.337 267 H HA 0.016 4.576 4.556 0.007 0.000 0.311 267 H C 0.549 175.639 175.328 -0.397 0.000 1.054 267 H CA 1.138 56.977 56.048 -0.348 0.000 1.385 267 H CB 0.123 29.675 29.762 -0.349 0.000 1.437 267 H HN 0.679 nan 8.280 nan 0.000 0.553 268 T N -1.425 112.853 114.554 -0.460 0.000 2.847 268 T HA 0.447 4.801 4.350 0.007 0.000 0.279 268 T C 0.532 174.853 174.700 -0.632 0.000 0.984 268 T CA -0.587 61.090 62.100 -0.704 0.000 0.988 268 T CB 1.444 69.547 68.868 -1.274 0.000 1.040 268 T HN 0.145 nan 8.240 nan 0.000 0.528 269 S N -0.067 115.221 115.700 -0.687 0.000 3.025 269 S HA 0.309 4.783 4.470 0.007 0.000 0.251 269 S C -0.150 174.295 174.600 -0.258 0.000 0.954 269 S CA -0.778 57.200 58.200 -0.371 0.000 1.092 269 S CB -0.545 62.512 63.200 -0.239 0.000 1.079 269 S HN 0.638 nan 8.310 nan 0.000 0.543 270 F N 2.410 122.323 119.950 -0.062 0.000 2.657 270 F HA 0.082 4.614 4.527 0.008 0.000 0.347 270 F C 2.047 177.623 175.800 -0.374 0.000 1.180 270 F CA 0.786 58.742 58.000 -0.074 0.000 1.383 270 F CB 0.490 39.555 39.000 0.108 0.000 1.077 270 F HN 0.286 nan 8.300 nan 0.000 0.622 271 T N -4.695 109.704 114.554 -0.259 0.000 3.073 271 T HA 0.004 4.359 4.350 0.007 0.000 0.264 271 T C 0.882 175.256 174.700 -0.543 0.000 0.893 271 T CA 0.225 61.858 62.100 -0.778 0.000 0.863 271 T CB -0.193 68.424 68.868 -0.417 0.000 1.247 271 T HN 0.574 nan 8.240 nan 0.000 0.546 272 D N 1.258 121.552 120.400 -0.177 0.000 2.106 272 D HA 0.052 4.696 4.640 0.007 0.000 0.203 272 D C -0.010 176.060 176.300 -0.383 0.000 0.977 272 D CA 1.002 54.855 54.000 -0.246 0.000 0.844 272 D CB -0.331 40.428 40.800 -0.068 0.000 1.002 272 D HN 0.554 nan 8.370 nan 0.000 0.461 273 Y N -1.891 118.600 120.300 0.319 0.000 2.513 273 Y HA 0.350 4.904 4.550 0.007 0.000 0.340 273 Y C -0.818 175.285 175.900 0.339 0.000 1.055 273 Y CA -1.525 56.789 58.100 0.356 0.000 1.020 273 Y CB 1.096 39.626 38.460 0.116 0.000 1.301 273 Y HN -0.233 nan 8.280 nan 0.000 0.453 274 Y N 3.866 124.232 120.300 0.111 0.000 2.597 274 Y HA 0.116 4.671 4.550 0.008 0.000 0.336 274 Y C -1.976 173.933 175.900 0.015 0.000 1.216 274 Y CA -2.020 56.025 58.100 -0.091 0.000 1.463 274 Y CB -0.093 38.270 38.460 -0.161 0.000 1.303 274 Y HN 0.237 nan 8.280 nan 0.000 0.576 275 P HA 0.350 nan 4.420 nan 0.000 0.281 275 P C -0.631 176.785 177.300 0.193 0.000 1.249 275 P CA -0.390 62.742 63.100 0.054 0.000 0.810 275 P CB 1.567 33.174 31.700 -0.156 0.000 1.008 276 R N 0.057 120.727 120.500 0.283 0.000 2.734 276 R HA 0.275 4.620 4.340 0.007 0.000 0.271 276 R C -0.596 175.962 176.300 0.429 0.000 1.021 276 R CA -0.951 55.340 56.100 0.318 0.000 0.893 276 R CB 0.169 30.649 30.300 0.300 0.000 1.244 276 R HN 0.741 nan 8.270 nan 0.000 0.464 277 H N 0.408 119.645 119.070 0.279 0.000 2.765 277 H HA -0.133 4.428 4.556 0.008 0.000 0.332 277 H C -0.861 174.655 175.328 0.312 0.000 1.180 277 H CA 0.206 56.431 56.048 0.295 0.000 1.142 277 H CB -0.933 28.997 29.762 0.280 0.000 1.576 277 H HN 0.366 nan 8.280 nan 0.000 0.420 278 L N 1.995 123.377 121.223 0.266 0.000 2.416 278 L HA 0.238 4.583 4.340 0.007 0.000 0.272 278 L C 0.798 177.801 176.870 0.222 0.000 1.161 278 L CA 0.596 55.592 54.840 0.260 0.000 0.845 278 L CB 0.792 42.956 42.059 0.177 0.000 1.119 278 L HN 0.618 nan 8.230 nan 0.000 0.464 279 N N 0.526 119.387 118.700 0.269 0.000 2.367 279 N HA 0.436 5.181 4.740 0.007 0.000 0.278 279 N C -1.306 174.348 175.510 0.240 0.000 1.117 279 N CA -0.449 52.753 53.050 0.254 0.000 0.867 279 N CB 2.554 41.221 38.487 0.300 0.000 1.649 279 N HN 0.489 nan 8.380 nan 0.000 0.479 280 T N -1.047 113.633 114.554 0.210 0.000 2.778 280 T HA 0.309 4.663 4.350 0.007 0.000 0.293 280 T C -1.131 173.656 174.700 0.145 0.000 1.144 280 T CA -0.392 61.802 62.100 0.157 0.000 1.010 280 T CB 1.204 70.134 68.868 0.103 0.000 1.325 280 T HN 0.689 nan 8.240 nan 0.000 0.515 281 D N -1.216 119.228 120.400 0.074 0.000 2.520 281 D HA 0.327 4.971 4.640 0.007 0.000 0.223 281 D C 1.264 177.556 176.300 -0.013 0.000 1.186 281 D CA 0.820 54.833 54.000 0.022 0.000 0.821 281 D CB 0.170 40.910 40.800 -0.101 0.000 1.072 281 D HN 1.032 nan 8.370 nan 0.000 0.518 282 G N 0.635 109.437 108.800 0.004 0.000 2.278 282 G HA2 -0.293 3.672 3.960 0.007 0.000 0.210 282 G HA3 -0.293 3.672 3.960 0.007 0.000 0.210 282 G C 1.293 176.170 174.900 -0.038 0.000 1.000 282 G CA 0.164 45.258 45.100 -0.011 0.000 0.635 282 G HN 0.370 nan 8.290 nan 0.000 0.495 283 R N -0.090 120.379 120.500 -0.053 0.000 2.049 283 R HA 0.429 4.773 4.340 0.007 0.000 0.202 283 R C 0.848 177.104 176.300 -0.072 0.000 1.306 283 R CA 0.370 56.431 56.100 -0.065 0.000 1.107 283 R CB 0.200 30.456 30.300 -0.074 0.000 0.996 283 R HN 0.279 nan 8.270 nan 0.000 0.469 284 R N 0.498 120.968 120.500 -0.050 0.000 2.787 284 R HA 0.475 4.819 4.340 0.007 0.000 0.271 284 R C -0.608 175.715 176.300 0.038 0.000 0.993 284 R CA -0.515 55.566 56.100 -0.032 0.000 0.993 284 R CB 1.617 31.905 30.300 -0.021 0.000 1.155 284 R HN 0.036 nan 8.270 nan 0.000 0.486 285 I N 1.979 122.612 120.570 0.105 0.000 2.428 285 I HA 0.309 4.484 4.170 0.007 0.000 0.296 285 I C -0.723 175.583 176.117 0.315 0.000 0.985 285 I CA -0.907 60.514 61.300 0.202 0.000 1.260 285 I CB 1.352 39.483 38.000 0.219 0.000 1.389 285 I HN 0.230 nan 8.210 nan 0.000 0.484 286 L N 7.300 128.720 121.223 0.328 0.000 2.333 286 L HA 0.752 5.096 4.340 0.007 0.000 0.269 286 L C -0.956 176.203 176.870 0.480 0.000 1.010 286 L CA -0.310 54.722 54.840 0.319 0.000 0.818 286 L CB 1.638 43.844 42.059 0.244 0.000 1.306 286 L HN 0.562 nan 8.230 nan 0.000 0.430 287 F N 0.121 120.206 119.950 0.225 0.000 2.858 287 F HA 0.762 5.294 4.527 0.007 0.000 0.319 287 F C -1.264 174.659 175.800 0.205 0.000 1.166 287 F CA -0.607 57.530 58.000 0.228 0.000 0.899 287 F CB 0.807 39.925 39.000 0.196 0.000 1.332 287 F HN 0.513 nan 8.300 nan 0.000 0.461 288 S N 0.795 116.693 115.700 0.330 0.000 2.566 288 S HA 0.823 5.297 4.470 0.007 0.000 0.298 288 S C -1.351 173.384 174.600 0.226 0.000 1.083 288 S CA -0.796 57.502 58.200 0.164 0.000 0.978 288 S CB 2.227 65.501 63.200 0.122 0.000 1.073 288 S HN 1.044 nan 8.310 nan 0.000 0.491 289 K N 0.165 120.629 120.400 0.105 0.000 2.561 289 K HA 0.495 4.820 4.320 0.007 0.000 0.254 289 K C 0.515 177.086 176.600 -0.049 0.000 0.942 289 K CA 0.021 56.307 56.287 -0.002 0.000 0.818 289 K CB 0.950 33.277 32.500 -0.288 0.000 1.306 289 K HN 1.442 nan 8.250 nan 0.000 0.435 290 G N 2.272 110.956 108.800 -0.194 0.000 2.337 290 G HA2 -0.245 3.720 3.960 0.007 0.000 0.290 290 G HA3 -0.245 3.720 3.960 0.007 0.000 0.290 290 G C 0.787 175.458 174.900 -0.381 0.000 1.003 290 G CA 1.010 45.696 45.100 -0.691 0.000 0.825 290 G HN 1.653 nan 8.290 nan 0.000 0.509 291 G N -2.829 105.864 108.800 -0.178 0.000 2.176 291 G HA2 0.018 3.982 3.960 0.007 0.000 0.232 291 G HA3 0.018 3.982 3.960 0.007 0.000 0.232 291 G C 0.315 175.153 174.900 -0.103 0.000 0.986 291 G CA 0.635 45.660 45.100 -0.126 0.000 0.643 291 G HN 1.693 nan 8.290 nan 0.000 0.522 292 S N 0.015 115.689 115.700 -0.043 0.000 2.648 292 S HA 0.823 5.297 4.470 0.007 0.000 0.305 292 S C -0.133 174.399 174.600 -0.113 0.000 1.094 292 S CA -0.794 57.336 58.200 -0.116 0.000 0.983 292 S CB 1.739 64.870 63.200 -0.115 0.000 1.101 292 S HN 0.284 nan 8.310 nan 0.000 0.514 293 I N 2.337 122.697 120.570 -0.350 0.000 2.336 293 I HA 0.412 4.586 4.170 0.007 0.000 0.292 293 I C -0.957 174.846 176.117 -0.523 0.000 0.991 293 I CA -0.441 60.650 61.300 -0.349 0.000 1.227 293 I CB 0.279 38.013 38.000 -0.443 0.000 1.366 293 I HN 0.584 nan 8.210 nan 0.000 0.466 294 Y N 5.689 125.598 120.300 -0.650 0.000 2.621 294 Y HA 0.655 5.209 4.550 0.007 0.000 0.334 294 Y C 0.269 175.825 175.900 -0.573 0.000 1.074 294 Y CA -0.821 56.861 58.100 -0.697 0.000 1.149 294 Y CB 1.958 39.804 38.460 -1.024 0.000 1.302 294 Y HN 0.305 nan 8.280 nan 0.000 0.501 295 I N 1.322 121.871 120.570 -0.035 0.000 2.730 295 I HA 0.332 4.506 4.170 0.007 0.000 0.298 295 I C -1.666 174.692 176.117 0.401 0.000 1.089 295 I CA -0.868 60.523 61.300 0.151 0.000 1.041 295 I CB 2.482 40.515 38.000 0.056 0.000 1.235 295 I HN 0.429 nan 8.210 nan 0.000 0.423 296 F N 5.613 125.721 119.950 0.263 0.000 2.539 296 F HA 0.402 4.934 4.527 0.007 0.000 0.318 296 F C -0.685 175.147 175.800 0.053 0.000 1.135 296 F CA -0.509 57.611 58.000 0.200 0.000 0.915 296 F CB 1.423 40.555 39.000 0.221 0.000 1.176 296 F HN 0.398 nan 8.300 nan 0.000 0.440 297 N N 7.624 125.945 118.700 -0.631 0.000 2.437 297 N HA 0.314 5.059 4.740 0.007 0.000 0.259 297 N C -2.157 172.855 175.510 -0.831 0.000 0.983 297 N CA -1.961 50.782 53.050 -0.512 0.000 0.937 297 N CB 1.841 40.157 38.487 -0.285 0.000 1.122 297 N HN 0.306 nan 8.380 nan 0.000 0.499 298 P HA -0.155 nan 4.420 nan 0.000 0.216 298 P C 0.185 177.376 177.300 -0.181 0.000 1.150 298 P CA 1.139 64.024 63.100 -0.359 0.000 0.843 298 P CB 0.322 31.885 31.700 -0.228 0.000 0.787 299 D N -1.468 118.835 120.400 -0.162 0.000 2.075 299 D HA -0.089 4.556 4.640 0.007 0.000 0.196 299 D C 1.931 178.174 176.300 -0.094 0.000 0.985 299 D CA 1.538 55.489 54.000 -0.082 0.000 0.834 299 D CB -1.275 39.485 40.800 -0.067 0.000 0.987 299 D HN 0.096 nan 8.370 nan 0.000 0.452 300 T N 0.048 114.517 114.554 -0.141 0.000 2.867 300 T HA -0.132 4.223 4.350 0.007 0.000 0.268 300 T C 0.942 175.564 174.700 -0.130 0.000 1.057 300 T CA 1.187 63.218 62.100 -0.115 0.000 1.136 300 T CB -0.009 68.792 68.868 -0.112 0.000 0.874 300 T HN 0.366 nan 8.240 nan 0.000 0.466 301 E N 0.133 120.163 120.200 -0.283 0.000 3.070 301 E HA -0.199 4.156 4.350 0.007 0.000 0.285 301 E C 0.024 176.548 176.600 -0.127 0.000 0.972 301 E CA 0.378 56.619 56.400 -0.265 0.000 0.915 301 E CB -0.880 28.858 29.700 0.063 0.000 1.466 301 E HN 0.468 nan 8.360 nan 0.000 0.432 302 K N 0.977 121.266 120.400 -0.185 0.000 2.172 302 K HA 0.479 4.803 4.320 0.007 0.000 0.276 302 K C -0.266 176.386 176.600 0.087 0.000 1.013 302 K CA -0.484 55.794 56.287 -0.014 0.000 0.913 302 K CB 0.704 33.191 32.500 -0.021 0.000 1.055 302 K HN 0.136 nan 8.250 nan 0.000 0.461 303 I N 4.568 125.276 120.570 0.230 0.000 2.354 303 I HA 0.202 4.376 4.170 0.007 0.000 0.292 303 I C -0.340 175.947 176.117 0.284 0.000 0.989 303 I CA -0.437 61.091 61.300 0.379 0.000 1.188 303 I CB 1.482 39.776 38.000 0.489 0.000 1.342 303 I HN 0.648 nan 8.210 nan 0.000 0.457 304 E N 6.007 126.357 120.200 0.250 0.000 2.314 304 E HA 0.398 4.752 4.350 0.007 0.000 0.272 304 E C -1.309 175.287 176.600 -0.007 0.000 0.884 304 E CA -1.202 55.269 56.400 0.119 0.000 0.753 304 E CB 2.593 32.316 29.700 0.039 0.000 1.213 304 E HN 0.383 nan 8.360 nan 0.000 0.432 305 K N 3.719 124.012 120.400 -0.179 0.000 2.234 305 K HA 0.313 4.637 4.320 0.007 0.000 0.282 305 K C -0.543 175.811 176.600 -0.409 0.000 1.039 305 K CA -0.507 55.420 56.287 -0.601 0.000 0.928 305 K CB 0.738 32.841 32.500 -0.661 0.000 1.039 305 K HN 0.543 nan 8.250 nan 0.000 0.470 306 I N 3.658 123.942 120.570 -0.477 0.000 2.472 306 I HA 0.077 4.251 4.170 0.007 0.000 0.290 306 I C 0.346 176.237 176.117 -0.377 0.000 1.016 306 I CA -0.525 60.542 61.300 -0.388 0.000 1.348 306 I CB 1.186 38.909 38.000 -0.462 0.000 1.417 306 I HN 0.527 nan 8.210 nan 0.000 0.521 307 E N 6.557 126.595 120.200 -0.269 0.000 2.200 307 E HA 0.353 4.707 4.350 0.007 0.000 0.283 307 E C 0.371 176.879 176.600 -0.154 0.000 1.015 307 E CA -0.057 56.232 56.400 -0.185 0.000 0.819 307 E CB 2.190 31.837 29.700 -0.088 0.000 1.081 307 E HN 0.535 nan 8.360 nan 0.000 0.397 308 I N 0.541 121.017 120.570 -0.157 0.000 4.706 308 I HA 0.141 4.315 4.170 0.007 0.000 0.321 308 I C 1.097 177.184 176.117 -0.051 0.000 1.249 308 I CA 0.288 61.541 61.300 -0.078 0.000 1.321 308 I CB 0.379 38.241 38.000 -0.229 0.000 1.342 308 I HN 0.665 nan 8.210 nan 0.000 0.463 309 G N 2.107 110.853 108.800 -0.091 0.000 2.692 309 G HA2 -0.236 3.728 3.960 0.007 0.000 0.248 309 G HA3 -0.236 3.728 3.960 0.007 0.000 0.248 309 G C -0.716 174.138 174.900 -0.077 0.000 1.340 309 G CA -0.316 44.742 45.100 -0.069 0.000 0.896 309 G HN 0.276 nan 8.290 nan 0.000 0.570 310 D N -0.018 120.350 120.400 -0.054 0.000 2.472 310 D HA 0.402 5.046 4.640 0.007 0.000 0.237 310 D C 1.464 177.728 176.300 -0.060 0.000 1.141 310 D CA 0.462 54.430 54.000 -0.053 0.000 0.875 310 D CB 0.915 41.700 40.800 -0.026 0.000 1.192 310 D HN 0.441 nan 8.370 nan 0.000 0.450 311 L N 0.358 121.524 121.223 -0.095 0.000 2.688 311 L HA 0.269 4.613 4.340 0.007 0.000 0.216 311 L C 0.535 177.437 176.870 0.053 0.000 1.036 311 L CA -0.021 54.734 54.840 -0.143 0.000 0.906 311 L CB 0.543 42.231 42.059 -0.618 0.000 1.501 311 L HN 0.367 nan 8.230 nan 0.000 0.489 312 E N -0.284 119.941 120.200 0.042 0.000 2.321 312 E HA 0.311 4.666 4.350 0.007 0.000 0.281 312 E C -1.459 175.185 176.600 0.074 0.000 0.910 312 E CA -0.132 56.349 56.400 0.135 0.000 0.770 312 E CB 2.288 32.155 29.700 0.279 0.000 1.225 312 E HN -0.146 nan 8.360 nan 0.000 0.417 313 S N 5.068 120.805 115.700 0.062 0.000 2.279 313 S HA 0.350 4.824 4.470 0.007 0.000 0.176 313 S C -2.213 172.404 174.600 0.028 0.000 1.554 313 S CA -1.002 57.217 58.200 0.031 0.000 1.242 313 S CB 0.594 63.798 63.200 0.007 0.000 1.163 313 S HN 0.476 nan 8.310 nan 0.000 0.449 314 P HA 0.184 nan 4.420 nan 0.000 0.272 314 P C -0.272 177.030 177.300 0.002 0.000 1.254 314 P CA -0.355 62.761 63.100 0.026 0.000 0.795 314 P CB 0.442 32.164 31.700 0.037 0.000 1.022 315 E N 0.283 120.483 120.200 -0.001 0.000 2.498 315 E HA -0.089 4.265 4.350 0.007 0.000 0.252 315 E C 0.666 177.252 176.600 -0.024 0.000 1.025 315 E CA 0.481 56.875 56.400 -0.011 0.000 0.938 315 E CB -0.281 29.414 29.700 -0.008 0.000 0.947 315 E HN 0.357 nan 8.360 nan 0.000 0.478 316 D N 3.536 123.921 120.400 -0.024 0.000 2.183 316 D HA -0.126 4.518 4.640 0.007 0.000 0.203 316 D C 0.378 176.663 176.300 -0.024 0.000 0.969 316 D CA 0.655 54.642 54.000 -0.022 0.000 0.842 316 D CB 0.235 41.041 40.800 0.010 0.000 0.957 316 D HN 0.292 nan 8.370 nan 0.000 0.484 317 R N 0.745 121.235 120.500 -0.017 0.000 2.210 317 R HA 0.310 4.655 4.340 0.007 0.000 0.338 317 R C -0.342 175.939 176.300 -0.032 0.000 1.062 317 R CA -0.364 55.723 56.100 -0.023 0.000 0.902 317 R CB 0.091 30.384 30.300 -0.010 0.000 1.050 317 R HN 0.256 nan 8.270 nan 0.000 0.461 318 I N 1.532 122.073 120.570 -0.048 0.000 2.607 318 I HA 0.520 4.694 4.170 0.007 0.000 0.305 318 I C -0.600 175.499 176.117 -0.031 0.000 0.995 318 I CA -1.110 60.164 61.300 -0.043 0.000 1.148 318 I CB 1.835 39.796 38.000 -0.065 0.000 1.323 318 I HN 0.421 nan 8.210 nan 0.000 0.461 319 I N 3.588 124.150 120.570 -0.013 0.000 2.404 319 I HA 0.430 4.604 4.170 0.007 0.000 0.293 319 I C -0.155 175.976 176.117 0.024 0.000 0.992 319 I CA -0.139 61.163 61.300 0.003 0.000 1.149 319 I CB 1.840 39.843 38.000 0.006 0.000 1.315 319 I HN 0.659 nan 8.210 nan 0.000 0.446 320 S N 5.797 121.522 115.700 0.042 0.000 2.634 320 S HA 0.623 5.098 4.470 0.007 0.000 0.296 320 S C -0.368 174.318 174.600 0.143 0.000 1.104 320 S CA -0.648 57.622 58.200 0.118 0.000 0.920 320 S CB 2.067 65.322 63.200 0.093 0.000 1.111 320 S HN 0.354 nan 8.310 nan 0.000 0.493 321 I N 3.902 124.595 120.570 0.206 0.000 2.301 321 I HA 0.221 4.395 4.170 0.007 0.000 0.292 321 I C -1.277 174.941 176.117 0.169 0.000 1.046 321 I CA -2.065 59.307 61.300 0.120 0.000 1.282 321 I CB 1.216 39.245 38.000 0.047 0.000 1.409 321 I HN 0.481 nan 8.210 nan 0.000 0.484 322 P HA -0.280 nan 4.420 nan 0.000 0.218 322 P C 1.558 178.920 177.300 0.103 0.000 1.154 322 P CA 1.799 64.995 63.100 0.160 0.000 0.872 322 P CB 0.113 31.851 31.700 0.064 0.000 0.790 323 S N -0.463 115.215 115.700 -0.036 0.000 2.382 323 S HA -0.124 4.350 4.470 0.007 0.000 0.228 323 S C 1.958 176.490 174.600 -0.114 0.000 1.027 323 S CA 0.905 59.047 58.200 -0.097 0.000 0.991 323 S CB -0.872 62.248 63.200 -0.133 0.000 0.823 323 S HN -0.000 nan 8.310 nan 0.000 0.469 324 K N 0.546 120.828 120.400 -0.197 0.000 2.360 324 K HA 0.086 4.410 4.320 0.007 0.000 0.201 324 K C 0.304 176.414 176.600 -0.817 0.000 1.046 324 K CA 0.829 56.795 56.287 -0.536 0.000 0.945 324 K CB -0.382 31.661 32.500 -0.762 0.000 0.750 324 K HN 0.677 nan 8.250 nan 0.000 0.464 325 F N -0.942 119.048 119.950 0.067 0.000 2.825 325 F HA 0.330 4.861 4.527 0.007 0.000 0.322 325 F C 0.647 176.529 175.800 0.136 0.000 1.127 325 F CA -0.728 57.326 58.000 0.090 0.000 1.164 325 F CB 0.036 39.087 39.000 0.085 0.000 1.101 325 F HN -0.251 nan 8.300 nan 0.000 0.529 326 A N 1.559 124.527 122.820 0.247 0.000 2.386 326 A HA 0.612 4.936 4.320 0.007 0.000 0.246 326 A C 0.227 177.980 177.584 0.281 0.000 1.089 326 A CA 0.287 52.511 52.037 0.311 0.000 0.790 326 A CB 0.232 19.335 19.000 0.172 0.000 1.042 326 A HN 0.548 nan 8.150 nan 0.000 0.497 327 E N -1.454 118.959 120.200 0.354 0.000 2.393 327 E HA 0.350 4.704 4.350 0.007 0.000 0.278 327 E C -0.901 175.867 176.600 0.281 0.000 1.171 327 E CA -0.288 56.288 56.400 0.293 0.000 0.904 327 E CB -0.002 29.815 29.700 0.194 0.000 1.309 327 E HN 0.481 nan 8.360 nan 0.000 0.423 328 D N -0.211 120.273 120.400 0.141 0.000 2.772 328 D HA -0.188 4.457 4.640 0.007 0.000 0.233 328 D C -0.750 175.580 176.300 0.050 0.000 1.143 328 D CA 1.175 55.201 54.000 0.042 0.000 0.700 328 D CB -1.470 39.421 40.800 0.152 0.000 1.076 328 D HN 0.479 nan 8.370 nan 0.000 0.430 329 F N -0.586 119.488 119.950 0.207 0.000 2.578 329 F HA 0.496 5.027 4.527 0.007 0.000 0.381 329 F C 0.615 176.511 175.800 0.160 0.000 1.069 329 F CA -0.601 57.523 58.000 0.207 0.000 1.231 329 F CB 0.855 39.930 39.000 0.125 0.000 1.086 329 F HN -0.030 nan 8.300 nan 0.000 0.564 330 S N 4.841 120.691 115.700 0.249 0.000 2.548 330 S HA 0.605 5.079 4.470 0.007 0.000 0.276 330 S C -3.072 171.641 174.600 0.188 0.000 1.129 330 S CA -1.530 56.764 58.200 0.157 0.000 0.931 330 S CB 1.903 65.164 63.200 0.101 0.000 1.068 330 S HN 0.616 nan 8.310 nan 0.000 0.480 331 P HA 0.395 nan 4.420 nan 0.000 0.285 331 P C -0.796 176.571 177.300 0.111 0.000 1.259 331 P CA -0.487 62.688 63.100 0.124 0.000 0.794 331 P CB 0.939 32.695 31.700 0.093 0.000 0.940 332 L N 1.440 122.731 121.223 0.112 0.000 2.558 332 L HA 0.526 4.871 4.340 0.007 0.000 0.260 332 L C 0.686 177.620 176.870 0.106 0.000 1.130 332 L CA -1.090 53.825 54.840 0.125 0.000 1.049 332 L CB 0.272 42.429 42.059 0.163 0.000 1.758 332 L HN 0.196 nan 8.230 nan 0.000 0.555 333 D N -0.223 120.253 120.400 0.127 0.000 2.411 333 D HA 0.302 4.946 4.640 0.007 0.000 0.251 333 D C 0.815 177.171 176.300 0.093 0.000 1.201 333 D CA 0.754 54.814 54.000 0.100 0.000 0.996 333 D CB 0.602 41.463 40.800 0.101 0.000 1.101 333 D HN 0.778 nan 8.370 nan 0.000 0.504 334 G N 0.759 109.601 108.800 0.069 0.000 2.269 334 G HA2 -0.355 3.610 3.960 0.007 0.000 0.277 334 G HA3 -0.355 3.610 3.960 0.007 0.000 0.277 334 G C 0.385 175.309 174.900 0.040 0.000 1.008 334 G CA 0.962 46.094 45.100 0.052 0.000 0.774 334 G HN 0.798 nan 8.290 nan 0.000 0.511 335 D N -2.036 118.391 120.400 0.046 0.000 2.723 335 D HA -0.174 4.471 4.640 0.007 0.000 0.236 335 D C 0.618 176.944 176.300 0.042 0.000 1.138 335 D CA 1.443 55.469 54.000 0.043 0.000 0.676 335 D CB -1.269 39.552 40.800 0.036 0.000 1.069 335 D HN 0.747 nan 8.370 nan 0.000 0.430 336 L N -0.305 120.945 121.223 0.045 0.000 2.365 336 L HA 0.650 4.995 4.340 0.007 0.000 0.267 336 L C 0.981 177.892 176.870 0.068 0.000 1.033 336 L CA -1.049 53.808 54.840 0.029 0.000 0.802 336 L CB 1.234 43.270 42.059 -0.039 0.000 1.267 336 L HN -0.016 nan 8.230 nan 0.000 0.457 337 I N 0.225 120.847 120.570 0.086 0.000 2.730 337 I HA 0.619 4.793 4.170 0.007 0.000 0.298 337 I C -0.686 175.556 176.117 0.208 0.000 1.089 337 I CA -0.621 60.773 61.300 0.158 0.000 1.041 337 I CB 2.245 40.346 38.000 0.169 0.000 1.235 337 I HN 0.580 nan 8.210 nan 0.000 0.423 338 A N 5.246 128.223 122.820 0.263 0.000 2.371 338 A HA 0.927 5.251 4.320 0.007 0.000 0.311 338 A C -1.215 176.609 177.584 0.399 0.000 1.068 338 A CA -0.373 51.827 52.037 0.270 0.000 0.744 338 A CB 1.334 20.456 19.000 0.203 0.000 1.239 338 A HN 0.654 nan 8.150 nan 0.000 0.435 339 F N 0.258 120.338 119.950 0.216 0.000 2.693 339 F HA 0.763 5.294 4.527 0.007 0.000 0.309 339 F C -1.630 174.319 175.800 0.249 0.000 1.129 339 F CA -1.098 57.042 58.000 0.233 0.000 0.948 339 F CB 1.016 40.164 39.000 0.248 0.000 1.315 339 F HN 0.402 nan 8.300 nan 0.000 0.447 340 V N 1.776 121.814 119.914 0.207 0.000 2.581 340 V HA 0.810 4.935 4.120 0.007 0.000 0.303 340 V C -0.673 175.591 176.094 0.284 0.000 1.041 340 V CA -0.505 61.836 62.300 0.068 0.000 0.907 340 V CB 1.586 33.434 31.823 0.041 0.000 0.994 340 V HN 0.966 nan 8.190 nan 0.000 0.442 341 S N 2.835 118.678 115.700 0.238 0.000 2.543 341 S HA 0.520 4.995 4.470 0.007 0.000 0.271 341 S C 0.016 174.743 174.600 0.212 0.000 1.148 341 S CA -0.716 57.689 58.200 0.342 0.000 0.914 341 S CB 1.123 64.643 63.200 0.534 0.000 1.096 341 S HN 0.783 nan 8.310 nan 0.000 0.471 342 R N 2.298 122.896 120.500 0.163 0.000 3.484 342 R HA -0.250 4.094 4.340 0.007 0.000 0.260 342 R C 1.060 177.335 176.300 -0.042 0.000 1.053 342 R CA 1.381 57.468 56.100 -0.022 0.000 0.703 342 R CB -1.771 28.435 30.300 -0.155 0.000 1.089 342 R HN 1.753 nan 8.270 nan 0.000 0.459 343 G N -1.506 107.274 108.800 -0.033 0.000 2.179 343 G HA2 -0.351 3.613 3.960 0.007 0.000 0.260 343 G HA3 -0.351 3.613 3.960 0.007 0.000 0.260 343 G C -0.004 174.811 174.900 -0.140 0.000 0.977 343 G CA 0.686 45.729 45.100 -0.095 0.000 0.641 343 G HN 0.525 nan 8.290 nan 0.000 0.533 344 Q N -0.089 119.635 119.800 -0.128 0.000 2.248 344 Q HA 0.764 5.108 4.340 0.007 0.000 0.263 344 Q C 0.038 175.725 176.000 -0.523 0.000 1.007 344 Q CA -0.117 55.493 55.803 -0.322 0.000 0.877 344 Q CB 2.030 30.616 28.738 -0.254 0.000 1.315 344 Q HN 0.763 nan 8.270 nan 0.000 0.454 345 A N 1.286 123.570 122.820 -0.894 0.000 2.380 345 A HA 0.868 5.193 4.320 0.007 0.000 0.315 345 A C -1.442 175.341 177.584 -1.336 0.000 1.101 345 A CA -0.461 51.073 52.037 -0.838 0.000 0.771 345 A CB 0.821 19.534 19.000 -0.478 0.000 1.287 345 A HN 0.568 nan 8.150 nan 0.000 0.436 346 F N -0.011 119.650 119.950 -0.482 0.000 2.601 346 F HA 0.615 5.146 4.527 0.007 0.000 0.309 346 F C -0.681 175.045 175.800 -0.124 0.000 1.089 346 F CA -0.579 57.222 58.000 -0.332 0.000 0.940 346 F CB 1.981 40.720 39.000 -0.434 0.000 1.273 346 F HN 0.238 nan 8.300 nan 0.000 0.450 347 I N 2.513 123.173 120.570 0.149 0.000 2.382 347 I HA 0.417 4.592 4.170 0.007 0.000 0.285 347 I C -0.507 175.662 176.117 0.087 0.000 1.007 347 I CA -0.328 61.002 61.300 0.049 0.000 1.142 347 I CB 1.383 39.288 38.000 -0.158 0.000 1.289 347 I HN 0.690 nan 8.210 nan 0.000 0.453 348 Q N 4.979 124.858 119.800 0.133 0.000 2.615 348 Q HA 0.605 4.949 4.340 0.007 0.000 0.298 348 Q C -1.717 174.348 176.000 0.108 0.000 1.023 348 Q CA -1.097 54.793 55.803 0.146 0.000 0.768 348 Q CB 2.172 31.037 28.738 0.212 0.000 1.500 348 Q HN 0.489 nan 8.270 nan 0.000 0.441 349 D N 0.342 120.816 120.400 0.124 0.000 2.277 349 D HA 0.117 4.761 4.640 0.007 0.000 0.250 349 D C 1.430 177.778 176.300 0.080 0.000 1.032 349 D CA -0.176 53.884 54.000 0.101 0.000 0.947 349 D CB 1.746 42.632 40.800 0.143 0.000 1.159 349 D HN 0.601 nan 8.370 nan 0.000 0.460 350 V N -0.169 119.780 119.914 0.058 0.000 2.313 350 V HA -0.325 3.800 4.120 0.007 0.000 0.253 350 V C 2.401 178.497 176.094 0.003 0.000 1.070 350 V CA 2.521 64.837 62.300 0.025 0.000 1.057 350 V CB -1.483 30.357 31.823 0.028 0.000 0.653 350 V HN 0.685 nan 8.190 nan 0.000 0.450 351 S N 0.906 116.625 115.700 0.032 0.000 2.383 351 S HA 0.032 4.506 4.470 0.007 0.000 0.229 351 S C 1.841 176.431 174.600 -0.016 0.000 1.030 351 S CA 2.456 60.664 58.200 0.014 0.000 1.002 351 S CB -0.915 62.317 63.200 0.053 0.000 0.829 351 S HN 2.186 nan 8.310 nan 0.000 0.467 352 G N -0.478 108.327 108.800 0.009 0.000 2.141 352 G HA2 -0.273 3.691 3.960 0.007 0.000 0.242 352 G HA3 -0.273 3.691 3.960 0.007 0.000 0.242 352 G C 0.805 175.680 174.900 -0.043 0.000 0.982 352 G CA 1.313 46.404 45.100 -0.016 0.000 0.662 352 G HN 0.785 nan 8.290 nan 0.000 0.527 353 T N -1.427 113.091 114.554 -0.061 0.000 2.976 353 T HA 0.227 4.581 4.350 0.007 0.000 0.257 353 T C 0.838 175.324 174.700 -0.357 0.000 1.051 353 T CA 1.169 63.125 62.100 -0.240 0.000 1.141 353 T CB 0.039 68.697 68.868 -0.349 0.000 0.881 353 T HN 0.386 nan 8.240 nan 0.000 0.461 354 Y N 1.978 122.288 120.300 0.017 0.000 2.491 354 Y HA 0.603 5.156 4.550 0.005 0.000 0.334 354 Y C -0.527 175.398 175.900 0.041 0.000 0.969 354 Y CA -1.053 57.063 58.100 0.026 0.000 1.241 354 Y CB 1.175 39.647 38.460 0.021 0.000 1.105 354 Y HN -0.092 nan 8.280 nan 0.000 0.503 355 V N 5.249 125.250 119.914 0.146 0.000 2.604 355 V HA 0.521 4.646 4.120 0.007 0.000 0.305 355 V C -0.385 175.817 176.094 0.179 0.000 1.043 355 V CA -1.077 61.317 62.300 0.157 0.000 0.888 355 V CB 2.220 34.108 31.823 0.108 0.000 0.995 355 V HN 0.558 nan 8.190 nan 0.000 0.429 356 L N 3.720 125.067 121.223 0.207 0.000 2.385 356 L HA 0.592 4.937 4.340 0.007 0.000 0.273 356 L C -0.235 176.740 176.870 0.175 0.000 0.990 356 L CA -0.563 54.388 54.840 0.185 0.000 0.821 356 L CB 2.137 44.302 42.059 0.177 0.000 1.279 356 L HN 0.611 nan 8.230 nan 0.000 0.412 357 K N 2.169 122.615 120.400 0.076 0.000 2.172 357 K HA 0.471 4.795 4.320 0.007 0.000 0.276 357 K C -0.747 175.622 176.600 -0.384 0.000 1.013 357 K CA -0.620 55.519 56.287 -0.245 0.000 0.913 357 K CB 1.608 33.989 32.500 -0.199 0.000 1.055 357 K HN 0.338 nan 8.250 nan 0.000 0.461 358 V N 6.487 126.038 119.914 -0.605 0.000 2.521 358 V HA 0.096 4.220 4.120 0.007 0.000 0.286 358 V C -1.770 173.924 176.094 -0.666 0.000 1.034 358 V CA -1.194 60.627 62.300 -0.799 0.000 1.045 358 V CB 0.750 32.098 31.823 -0.792 0.000 0.974 358 V HN 0.815 nan 8.190 nan 0.000 0.480 359 P HA 0.266 nan 4.420 nan 0.000 0.244 359 P C -0.416 176.673 177.300 -0.352 0.000 1.769 359 P CA 0.099 62.970 63.100 -0.381 0.000 1.102 359 P CB 0.348 31.889 31.700 -0.266 0.000 1.937 360 E N 2.806 122.795 120.200 -0.351 0.000 2.343 360 E HA 0.345 4.700 4.350 0.007 0.000 0.278 360 E C -2.219 174.289 176.600 -0.154 0.000 0.910 360 E CA -1.823 54.409 56.400 -0.279 0.000 0.757 360 E CB 2.254 31.706 29.700 -0.414 0.000 1.218 360 E HN 0.265 nan 8.360 nan 0.000 0.435 361 P HA 0.062 nan 4.420 nan 0.000 0.273 361 P C 0.426 177.783 177.300 0.094 0.000 1.258 361 P CA -0.416 62.703 63.100 0.032 0.000 0.802 361 P CB 0.873 32.612 31.700 0.066 0.000 1.040 362 L N 0.327 121.561 121.223 0.017 0.000 2.516 362 L HA -0.037 4.307 4.340 0.007 0.000 0.288 362 L C 0.945 177.708 176.870 -0.178 0.000 1.246 362 L CA 0.394 55.194 54.840 -0.066 0.000 0.844 362 L CB -0.159 41.860 42.059 -0.068 0.000 1.106 362 L HN 0.495 nan 8.230 nan 0.000 0.509 363 R N 3.236 123.608 120.500 -0.213 0.000 2.779 363 R HA -0.091 4.253 4.340 0.007 0.000 0.301 363 R C -1.324 174.764 176.300 -0.354 0.000 0.963 363 R CA 0.431 56.364 56.100 -0.278 0.000 0.683 363 R CB -1.612 28.530 30.300 -0.264 0.000 1.794 363 R HN 0.504 nan 8.270 nan 0.000 0.458 364 I N 3.677 124.110 120.570 -0.229 0.000 2.307 364 I HA 0.204 4.379 4.170 0.007 0.000 0.289 364 I C 1.792 177.802 176.117 -0.180 0.000 1.021 364 I CA -0.446 60.762 61.300 -0.153 0.000 1.224 364 I CB 1.159 39.052 38.000 -0.177 0.000 1.376 364 I HN 0.280 nan 8.210 nan 0.000 0.470 365 R N 4.607 124.982 120.500 -0.208 0.000 2.080 365 R HA 0.095 4.439 4.340 0.007 0.000 0.222 365 R C -0.462 175.446 176.300 -0.654 0.000 1.107 365 R CA 1.080 56.872 56.100 -0.513 0.000 0.980 365 R CB 0.185 30.104 30.300 -0.635 0.000 0.879 365 R HN 0.451 nan 8.270 nan 0.000 0.439 366 Y N -1.017 119.317 120.300 0.056 0.000 2.524 366 Y HA 0.451 5.005 4.550 0.007 0.000 0.347 366 Y C -0.725 175.257 175.900 0.137 0.000 1.005 366 Y CA -1.263 56.883 58.100 0.075 0.000 1.025 366 Y CB 2.314 40.813 38.460 0.066 0.000 1.275 366 Y HN -0.364 nan 8.280 nan 0.000 0.460 367 V N 2.754 122.845 119.914 0.294 0.000 2.531 367 V HA 0.694 4.818 4.120 0.007 0.000 0.301 367 V C -0.820 175.401 176.094 0.212 0.000 1.034 367 V CA -0.786 61.665 62.300 0.252 0.000 0.865 367 V CB 1.807 33.736 31.823 0.177 0.000 0.995 367 V HN 0.642 nan 8.190 nan 0.000 0.424 368 R N 2.438 123.063 120.500 0.208 0.000 2.564 368 R HA 0.554 4.899 4.340 0.007 0.000 0.284 368 R C -0.584 175.805 176.300 0.148 0.000 1.031 368 R CA -0.948 55.243 56.100 0.152 0.000 0.904 368 R CB 1.366 31.736 30.300 0.118 0.000 1.199 368 R HN 0.814 nan 8.270 nan 0.000 0.443 369 R N 1.514 122.092 120.500 0.130 0.000 2.486 369 R HA 0.189 4.533 4.340 0.007 0.000 0.303 369 R C 0.145 176.492 176.300 0.078 0.000 0.958 369 R CA 1.278 57.452 56.100 0.123 0.000 1.077 369 R CB 0.076 30.441 30.300 0.109 0.000 0.921 369 R HN 0.730 nan 8.270 nan 0.000 0.406 370 G N 1.951 110.790 108.800 0.065 0.000 4.110 370 G HA2 0.500 4.465 3.960 0.007 0.000 0.292 370 G HA3 0.500 4.465 3.960 0.007 0.000 0.292 370 G C -0.090 174.807 174.900 -0.006 0.000 1.020 370 G CA 0.070 45.184 45.100 0.023 0.000 0.808 370 G HN 0.999 nan 8.290 nan 0.000 0.474 371 G N -0.248 108.550 108.800 -0.004 0.000 2.336 371 G HA2 0.243 4.208 3.960 0.007 0.000 0.300 371 G HA3 0.243 4.208 3.960 0.007 0.000 0.300 371 G C -0.212 174.668 174.900 -0.032 0.000 1.375 371 G CA -0.116 44.966 45.100 -0.030 0.000 0.885 371 G HN -0.133 nan 8.290 nan 0.000 0.599 372 D N -0.245 120.131 120.400 -0.041 0.000 2.126 372 D HA -0.104 4.541 4.640 0.007 0.000 0.190 372 D C 2.411 178.673 176.300 -0.063 0.000 1.001 372 D CA 2.742 56.728 54.000 -0.024 0.000 0.841 372 D CB -0.044 40.738 40.800 -0.029 0.000 0.949 372 D HN 0.766 nan 8.370 nan 0.000 0.446 373 T N -3.545 110.858 114.554 -0.253 0.000 3.170 373 T HA 0.271 4.625 4.350 0.007 0.000 0.288 373 T C 0.382 174.448 174.700 -1.057 0.000 0.992 373 T CA -0.568 61.097 62.100 -0.725 0.000 0.909 373 T CB 0.661 69.220 68.868 -0.514 0.000 1.133 373 T HN -0.131 nan 8.240 nan 0.000 0.530 374 K N 1.118 121.226 120.400 -0.487 0.000 2.221 374 K HA 0.722 5.047 4.320 0.007 0.000 0.258 374 K C -1.514 175.034 176.600 -0.086 0.000 0.944 374 K CA -0.867 55.229 56.287 -0.319 0.000 0.823 374 K CB 2.926 35.318 32.500 -0.180 0.000 1.113 374 K HN 0.087 nan 8.250 nan 0.000 0.431 375 V N 1.698 121.643 119.914 0.051 0.000 2.656 375 V HA 0.681 4.805 4.120 0.007 0.000 0.307 375 V C -1.164 175.079 176.094 0.248 0.000 1.051 375 V CA -0.537 61.888 62.300 0.209 0.000 0.893 375 V CB 1.662 33.699 31.823 0.356 0.000 0.999 375 V HN 0.923 nan 8.190 nan 0.000 0.426 376 A N 6.386 129.319 122.820 0.189 0.000 2.306 376 A HA 0.931 5.256 4.320 0.007 0.000 0.314 376 A C -0.764 176.959 177.584 0.232 0.000 1.164 376 A CA -0.397 51.714 52.037 0.123 0.000 0.822 376 A CB 0.630 19.670 19.000 0.067 0.000 1.130 376 A HN 1.367 nan 8.150 nan 0.000 0.496 377 F N 0.321 120.372 119.950 0.168 0.000 2.620 377 F HA 0.808 5.339 4.527 0.007 0.000 0.320 377 F C -0.981 174.939 175.800 0.200 0.000 1.069 377 F CA -1.654 56.447 58.000 0.168 0.000 0.953 377 F CB 1.209 40.286 39.000 0.127 0.000 1.322 377 F HN 0.235 nan 8.300 nan 0.000 0.479 378 I N 2.555 123.408 120.570 0.470 0.000 2.382 378 I HA 0.224 4.398 4.170 0.007 0.000 0.286 378 I C -0.768 175.587 176.117 0.397 0.000 1.002 378 I CA -0.291 61.234 61.300 0.374 0.000 1.135 378 I CB 0.924 39.145 38.000 0.368 0.000 1.288 378 I HN 0.776 nan 8.210 nan 0.000 0.448 379 H N 5.300 124.589 119.070 0.365 0.000 2.467 379 H HA 0.615 5.176 4.556 0.007 0.000 0.326 379 H C -0.528 174.961 175.328 0.268 0.000 1.094 379 H CA -0.304 55.923 56.048 0.298 0.000 1.253 379 H CB 1.976 31.958 29.762 0.367 0.000 1.439 379 H HN 0.741 nan 8.280 nan 0.000 0.479 380 G N 2.656 111.340 108.800 -0.192 0.000 2.416 380 G HA2 0.473 4.437 3.960 0.007 0.000 0.329 380 G HA3 0.473 4.437 3.960 0.007 0.000 0.329 380 G C -0.489 174.390 174.900 -0.035 0.000 1.173 380 G CA -0.357 44.724 45.100 -0.031 0.000 0.929 380 G HN 0.719 nan 8.290 nan 0.000 0.475 381 T N -1.409 113.264 114.554 0.199 0.000 2.804 381 T HA 0.390 4.745 4.350 0.007 0.000 0.290 381 T C 1.209 176.020 174.700 0.186 0.000 1.099 381 T CA -0.740 61.487 62.100 0.211 0.000 1.011 381 T CB 1.883 70.951 68.868 0.333 0.000 1.291 381 T HN 0.421 nan 8.240 nan 0.000 0.523 382 R N 0.127 120.728 120.500 0.169 0.000 2.159 382 R HA -0.089 4.256 4.340 0.007 0.000 0.237 382 R C 1.757 178.164 176.300 0.179 0.000 1.131 382 R CA 1.635 57.836 56.100 0.168 0.000 0.982 382 R CB -0.153 30.230 30.300 0.139 0.000 0.868 382 R HN 0.639 nan 8.270 nan 0.000 0.453 383 E N -0.681 119.649 120.200 0.215 0.000 2.112 383 E HA 0.093 4.448 4.350 0.007 0.000 0.190 383 E C 0.995 177.686 176.600 0.152 0.000 0.979 383 E CA 1.146 57.682 56.400 0.226 0.000 0.814 383 E CB 0.296 30.201 29.700 0.342 0.000 0.762 383 E HN 0.515 nan 8.360 nan 0.000 0.460 384 G N 0.250 109.125 108.800 0.125 0.000 2.368 384 G HA2 0.044 4.008 3.960 0.007 0.000 0.269 384 G HA3 0.044 4.008 3.960 0.007 0.000 0.269 384 G C -1.824 172.887 174.900 -0.316 0.000 1.291 384 G CA -0.745 44.268 45.100 -0.145 0.000 0.903 384 G HN -0.073 nan 8.290 nan 0.000 0.483 385 D N 0.192 120.292 120.400 -0.501 0.000 2.192 385 D HA 0.735 5.379 4.640 0.007 0.000 0.246 385 D C -0.903 175.016 176.300 -0.635 0.000 1.042 385 D CA 0.254 54.046 54.000 -0.346 0.000 0.847 385 D CB 1.483 42.216 40.800 -0.112 0.000 1.186 385 D HN 0.197 nan 8.370 nan 0.000 0.461 386 F N 0.683 120.728 119.950 0.157 0.000 2.576 386 F HA 0.303 4.834 4.527 0.007 0.000 0.313 386 F C 0.020 175.918 175.800 0.163 0.000 1.078 386 F CA -1.160 56.933 58.000 0.156 0.000 0.921 386 F CB 1.516 40.618 39.000 0.171 0.000 1.232 386 F HN -0.000 nan 8.300 nan 0.000 0.459 387 L N 2.190 123.596 121.223 0.306 0.000 2.371 387 L HA 0.783 5.127 4.340 0.007 0.000 0.272 387 L C -0.072 176.901 176.870 0.171 0.000 1.124 387 L CA 0.421 55.382 54.840 0.202 0.000 0.816 387 L CB 0.723 42.866 42.059 0.139 0.000 1.129 387 L HN 0.819 nan 8.230 nan 0.000 0.448 388 G N 4.924 113.518 108.800 -0.343 0.000 2.680 388 G HA2 0.714 4.678 3.960 0.007 0.000 0.290 388 G HA3 0.714 4.678 3.960 0.007 0.000 0.290 388 G C -1.544 172.679 174.900 -1.127 0.000 1.355 388 G CA -0.535 43.923 45.100 -1.070 0.000 0.903 388 G HN 0.546 nan 8.290 nan 0.000 0.474 389 I N -0.037 120.053 120.570 -0.801 0.000 2.692 389 I HA 0.394 4.569 4.170 0.007 0.000 0.293 389 I C -1.795 174.469 176.117 0.246 0.000 1.200 389 I CA -0.800 60.391 61.300 -0.182 0.000 1.036 389 I CB 2.751 40.694 38.000 -0.095 0.000 1.258 389 I HN 0.556 nan 8.210 nan 0.000 0.421 390 Y N 4.981 125.420 120.300 0.232 0.000 2.492 390 Y HA 0.505 5.059 4.550 0.007 0.000 0.346 390 Y C -1.558 174.381 175.900 0.065 0.000 0.997 390 Y CA -1.119 57.109 58.100 0.212 0.000 1.025 390 Y CB 1.840 40.477 38.460 0.296 0.000 1.263 390 Y HN 0.497 nan 8.280 nan 0.000 0.454 391 D N 4.665 124.628 120.400 -0.728 0.000 2.464 391 D HA 0.104 4.749 4.640 0.007 0.000 0.243 391 D C 0.029 175.670 176.300 -1.097 0.000 1.104 391 D CA -0.502 53.034 54.000 -0.774 0.000 0.883 391 D CB 0.142 40.703 40.800 -0.398 0.000 1.050 391 D HN 0.579 nan 8.370 nan 0.000 0.524 392 Y N 2.596 122.338 120.300 -0.930 0.000 2.716 392 Y HA 0.083 4.637 4.550 0.007 0.000 0.302 392 Y C 1.863 177.648 175.900 -0.193 0.000 1.160 392 Y CA 0.231 58.017 58.100 -0.524 0.000 1.362 392 Y CB -0.437 37.967 38.460 -0.094 0.000 0.988 392 Y HN 0.263 nan 8.280 nan 0.000 0.546 393 R N 0.986 121.380 120.500 -0.178 0.000 2.056 393 R HA -0.006 4.338 4.340 0.007 0.000 0.215 393 R C 2.326 178.596 176.300 -0.049 0.000 1.205 393 R CA 1.562 57.636 56.100 -0.044 0.000 1.020 393 R CB -0.577 29.660 30.300 -0.105 0.000 0.911 393 R HN 0.423 nan 8.270 nan 0.000 0.451 394 T N -3.254 111.235 114.554 -0.108 0.000 2.684 394 T HA 0.215 4.569 4.350 0.007 0.000 0.253 394 T C 1.564 176.250 174.700 -0.023 0.000 1.057 394 T CA 1.191 63.255 62.100 -0.060 0.000 1.162 394 T CB -0.127 68.697 68.868 -0.073 0.000 0.868 394 T HN 0.456 nan 8.240 nan 0.000 0.409 395 G N 1.479 110.252 108.800 -0.045 0.000 3.033 395 G HA2 -0.080 3.885 3.960 0.007 0.000 0.208 395 G HA3 -0.080 3.885 3.960 0.007 0.000 0.208 395 G C 0.003 174.972 174.900 0.116 0.000 1.006 395 G CA -0.122 45.027 45.100 0.082 0.000 0.808 395 G HN 0.925 nan 8.290 nan 0.000 0.499 396 K N 0.473 120.888 120.400 0.025 0.000 2.473 396 K HA 0.473 4.798 4.320 0.007 0.000 0.277 396 K C 0.173 176.835 176.600 0.104 0.000 1.052 396 K CA 0.787 57.093 56.287 0.031 0.000 1.114 396 K CB 0.981 33.468 32.500 -0.021 0.000 0.869 396 K HN 0.891 nan 8.250 nan 0.000 0.481 397 A N 3.988 126.884 122.820 0.128 0.000 3.297 397 A HA 0.095 4.420 4.320 0.007 0.000 0.304 397 A C -0.535 177.081 177.584 0.052 0.000 0.963 397 A CA -0.682 51.473 52.037 0.197 0.000 0.935 397 A CB 0.145 19.299 19.000 0.258 0.000 1.093 397 A HN 0.877 nan 8.150 nan 0.000 0.480 398 E N 1.636 121.799 120.200 -0.062 0.000 2.220 398 E HA 0.139 4.493 4.350 0.007 0.000 0.272 398 E C -0.190 176.202 176.600 -0.346 0.000 1.099 398 E CA 0.031 56.315 56.400 -0.193 0.000 0.907 398 E CB 0.350 29.903 29.700 -0.246 0.000 1.022 398 E HN 0.443 nan 8.360 nan 0.000 0.428 399 K N 4.403 124.649 120.400 -0.258 0.000 2.183 399 K HA 0.227 4.551 4.320 0.007 0.000 0.274 399 K C -0.689 175.729 176.600 -0.304 0.000 1.009 399 K CA -0.543 55.585 56.287 -0.266 0.000 0.888 399 K CB 0.663 33.110 32.500 -0.089 0.000 1.078 399 K HN 0.342 nan 8.250 nan 0.000 0.459 400 F N 1.635 121.554 119.950 -0.051 0.000 2.390 400 F HA 0.042 4.574 4.527 0.008 0.000 0.307 400 F C 1.863 177.647 175.800 -0.026 0.000 1.227 400 F CA 0.124 58.114 58.000 -0.016 0.000 1.179 400 F CB 0.662 39.675 39.000 0.021 0.000 1.280 400 F HN 0.640 nan 8.300 nan 0.000 0.548 401 E N -0.894 119.456 120.200 0.251 0.000 2.536 401 E HA 0.048 4.402 4.350 0.007 0.000 0.220 401 E C -0.231 176.556 176.600 0.311 0.000 0.876 401 E CA 0.098 56.551 56.400 0.089 0.000 1.190 401 E CB -0.188 29.516 29.700 0.007 0.000 1.191 401 E HN 0.446 nan 8.360 nan 0.000 0.557 402 E N 2.584 122.959 120.200 0.292 0.000 2.406 402 E HA 0.056 4.410 4.350 0.007 0.000 0.258 402 E C -0.375 176.402 176.600 0.296 0.000 1.043 402 E CA 0.084 56.615 56.400 0.218 0.000 0.929 402 E CB 0.207 29.946 29.700 0.065 0.000 0.969 402 E HN 0.241 nan 8.360 nan 0.000 0.462 403 N N 3.339 122.183 118.700 0.240 0.000 2.492 403 N HA -0.003 4.742 4.740 0.007 0.000 0.260 403 N C 0.614 176.040 175.510 -0.141 0.000 1.215 403 N CA -0.161 52.838 53.050 -0.086 0.000 0.923 403 N CB 0.522 38.984 38.487 -0.041 0.000 1.092 403 N HN 0.378 nan 8.380 nan 0.000 0.448 404 L N 2.519 123.587 121.223 -0.258 0.000 2.858 404 L HA 0.356 4.700 4.340 0.007 0.000 0.251 404 L C 1.222 178.022 176.870 -0.115 0.000 1.149 404 L CA -0.047 54.711 54.840 -0.136 0.000 0.955 404 L CB -0.412 41.592 42.059 -0.091 0.000 1.289 404 L HN 0.928 nan 8.230 nan 0.000 0.542 405 G N 1.289 109.989 108.800 -0.166 0.000 2.498 405 G HA2 -0.258 3.706 3.960 0.007 0.000 0.245 405 G HA3 -0.258 3.706 3.960 0.007 0.000 0.245 405 G C -0.320 174.542 174.900 -0.063 0.000 1.204 405 G CA -0.488 44.554 45.100 -0.097 0.000 0.933 405 G HN 0.250 nan 8.290 nan 0.000 0.574 406 N N 0.952 119.675 118.700 0.038 0.000 2.589 406 N HA 0.441 5.185 4.740 0.007 0.000 0.232 406 N C 0.163 175.830 175.510 0.262 0.000 1.015 406 N CA -0.136 52.996 53.050 0.137 0.000 0.931 406 N CB 1.486 40.128 38.487 0.259 0.000 1.150 406 N HN 0.576 nan 8.380 nan 0.000 0.512 407 V N 2.354 122.353 119.914 0.142 0.000 2.614 407 V HA 0.159 4.283 4.120 0.007 0.000 0.291 407 V C 0.621 176.851 176.094 0.227 0.000 1.049 407 V CA 0.297 62.726 62.300 0.216 0.000 1.038 407 V CB 0.223 32.151 31.823 0.174 0.000 0.980 407 V HN 0.520 nan 8.190 nan 0.000 0.481 408 F N 1.765 121.836 119.950 0.202 0.000 2.798 408 F HA 0.642 5.174 4.527 0.008 0.000 0.328 408 F C 0.695 176.472 175.800 -0.038 0.000 1.098 408 F CA 0.363 58.491 58.000 0.213 0.000 1.172 408 F CB 0.632 39.728 39.000 0.160 0.000 1.072 408 F HN 0.556 nan 8.300 nan 0.000 0.555 409 A N 1.239 124.066 122.820 0.012 0.000 2.540 409 A HA 0.748 5.072 4.320 0.007 0.000 0.297 409 A C -1.365 176.227 177.584 0.014 0.000 1.056 409 A CA -0.441 51.523 52.037 -0.121 0.000 0.700 409 A CB 1.858 20.902 19.000 0.073 0.000 1.280 409 A HN 0.001 nan 8.150 nan 0.000 0.398 410 M N 1.979 121.528 119.600 -0.084 0.000 2.421 410 M HA 0.693 5.177 4.480 0.007 0.000 0.287 410 M C -0.700 175.683 176.300 0.138 0.000 1.183 410 M CA 0.018 55.371 55.300 0.088 0.000 0.916 410 M CB 2.002 34.601 32.600 -0.002 0.000 1.701 410 M HN 1.465 nan 8.290 nan 0.000 0.470 411 G N 2.188 111.130 108.800 0.236 0.000 2.692 411 G HA2 0.706 4.671 3.960 0.007 0.000 0.291 411 G HA3 0.706 4.671 3.960 0.007 0.000 0.291 411 G C -2.242 172.716 174.900 0.098 0.000 1.423 411 G CA -0.467 44.752 45.100 0.197 0.000 0.843 411 G HN 0.598 nan 8.290 nan 0.000 0.486 412 V N 1.470 121.402 119.914 0.031 0.000 2.789 412 V HA 0.432 4.556 4.120 0.007 0.000 0.311 412 V C -0.463 175.538 176.094 -0.156 0.000 1.073 412 V CA -0.948 61.301 62.300 -0.084 0.000 0.921 412 V CB 1.894 33.689 31.823 -0.047 0.000 1.009 412 V HN 0.998 nan 8.190 nan 0.000 0.426 413 D N 3.478 123.640 120.400 -0.396 0.000 2.363 413 D HA 0.000 4.645 4.640 0.007 0.000 0.240 413 D C 0.854 177.047 176.300 -0.178 0.000 1.236 413 D CA -0.432 53.346 54.000 -0.371 0.000 0.927 413 D CB 1.103 41.462 40.800 -0.735 0.000 1.150 413 D HN 0.505 nan 8.370 nan 0.000 0.458 414 R N -0.169 120.274 120.500 -0.095 0.000 2.316 414 R HA -0.088 4.257 4.340 0.007 0.000 0.202 414 R C 0.596 176.873 176.300 -0.038 0.000 1.029 414 R CA 0.439 56.516 56.100 -0.038 0.000 1.018 414 R CB -0.107 30.193 30.300 -0.001 0.000 0.888 414 R HN 0.395 nan 8.270 nan 0.000 0.471 415 N N -0.566 118.096 118.700 -0.063 0.000 2.275 415 N HA 0.103 4.847 4.740 0.007 0.000 0.236 415 N C -0.192 175.293 175.510 -0.041 0.000 1.154 415 N CA 0.555 53.585 53.050 -0.033 0.000 0.866 415 N CB 0.936 39.419 38.487 -0.006 0.000 1.093 415 N HN 0.245 nan 8.380 nan 0.000 0.515 416 G N 1.038 109.795 108.800 -0.071 0.000 2.402 416 G HA2 -0.383 3.582 3.960 0.007 0.000 0.300 416 G HA3 -0.383 3.582 3.960 0.007 0.000 0.300 416 G C 1.013 175.898 174.900 -0.026 0.000 0.987 416 G CA 1.380 46.446 45.100 -0.057 0.000 0.881 416 G HN 0.476 nan 8.290 nan 0.000 0.512 417 K N -1.165 119.219 120.400 -0.025 0.000 2.078 417 K HA 0.361 4.686 4.320 0.007 0.000 0.203 417 K C 1.036 177.743 176.600 0.177 0.000 1.043 417 K CA 1.258 57.608 56.287 0.105 0.000 0.960 417 K CB 0.131 32.767 32.500 0.228 0.000 0.761 417 K HN 0.648 nan 8.250 nan 0.000 0.448 418 F N -1.389 118.562 119.950 0.001 0.000 2.790 418 F HA 0.815 5.347 4.527 0.008 0.000 0.337 418 F C -1.219 174.582 175.800 0.001 0.000 1.163 418 F CA -1.906 56.088 58.000 -0.010 0.000 0.997 418 F CB 0.893 39.880 39.000 -0.022 0.000 1.437 418 F HN -0.174 nan 8.300 nan 0.000 0.512 419 A N 0.373 123.273 122.820 0.133 0.000 2.515 419 A HA 0.794 5.119 4.320 0.007 0.000 0.296 419 A C -1.909 175.747 177.584 0.119 0.000 1.094 419 A CA -0.857 51.194 52.037 0.024 0.000 0.718 419 A CB 1.638 20.653 19.000 0.025 0.000 1.307 419 A HN 0.797 nan 8.150 nan 0.000 0.408 420 V N 0.879 120.811 119.914 0.030 0.000 2.513 420 V HA 0.662 4.786 4.120 0.007 0.000 0.299 420 V C -0.548 175.458 176.094 -0.147 0.000 1.035 420 V CA -0.385 61.824 62.300 -0.151 0.000 0.889 420 V CB 1.566 33.127 31.823 -0.437 0.000 0.988 420 V HN 0.746 nan 8.190 nan 0.000 0.440 421 V N 2.693 122.491 119.914 -0.194 0.000 2.841 421 V HA 0.887 5.012 4.120 0.007 0.000 0.310 421 V C -0.167 175.899 176.094 -0.047 0.000 1.090 421 V CA -0.692 61.584 62.300 -0.039 0.000 0.930 421 V CB 2.023 33.843 31.823 -0.006 0.000 1.014 421 V HN 1.005 nan 8.190 nan 0.000 0.425 422 A N 3.703 126.594 122.820 0.120 0.000 2.330 422 A HA 0.810 5.134 4.320 0.007 0.000 0.313 422 A C -0.336 177.364 177.584 0.194 0.000 1.124 422 A CA -0.709 51.423 52.037 0.158 0.000 0.774 422 A CB 0.795 19.975 19.000 0.300 0.000 1.198 422 A HN 1.024 nan 8.150 nan 0.000 0.465 423 N N 0.799 119.594 118.700 0.159 0.000 2.592 423 N HA 0.407 5.151 4.740 0.007 0.000 0.292 423 N C -0.525 175.097 175.510 0.187 0.000 1.260 423 N CA -0.546 52.616 53.050 0.187 0.000 0.910 423 N CB 1.106 39.645 38.487 0.087 0.000 1.257 423 N HN 0.455 nan 8.380 nan 0.000 0.569 424 D N -0.638 119.847 120.400 0.143 0.000 2.324 424 D HA -0.011 4.633 4.640 0.007 0.000 0.235 424 D C 0.702 176.891 176.300 -0.186 0.000 1.095 424 D CA 0.114 54.130 54.000 0.027 0.000 0.871 424 D CB -0.167 40.617 40.800 -0.027 0.000 0.906 424 D HN 0.460 nan 8.370 nan 0.000 0.522 425 R N -0.574 119.852 120.500 -0.124 0.000 2.334 425 R HA 0.257 4.602 4.340 0.007 0.000 0.216 425 R C 0.160 176.366 176.300 -0.157 0.000 0.905 425 R CA -0.186 55.753 56.100 -0.268 0.000 1.064 425 R CB -0.106 30.117 30.300 -0.128 0.000 1.046 425 R HN 0.098 nan 8.270 nan 0.000 0.508 426 F N 0.374 120.299 119.950 -0.041 0.000 2.965 426 F HA -0.259 4.272 4.527 0.007 0.000 0.287 426 F C -0.369 175.418 175.800 -0.022 0.000 0.790 426 F CA -0.023 57.951 58.000 -0.042 0.000 1.279 426 F CB -1.542 37.422 39.000 -0.061 0.000 1.409 426 F HN 0.186 nan 8.300 nan 0.000 0.446 427 E N 1.260 121.546 120.200 0.145 0.000 2.212 427 E HA 0.716 5.071 4.350 0.007 0.000 0.270 427 E C -0.358 176.234 176.600 -0.014 0.000 0.956 427 E CA -0.948 55.481 56.400 0.048 0.000 0.825 427 E CB 3.162 32.862 29.700 -0.000 0.000 1.167 427 E HN 0.315 nan 8.360 nan 0.000 0.400 428 I N 3.394 123.896 120.570 -0.114 0.000 2.465 428 I HA 0.434 4.608 4.170 0.007 0.000 0.291 428 I C -0.969 174.981 176.117 -0.278 0.000 1.014 428 I CA -0.590 60.560 61.300 -0.251 0.000 1.093 428 I CB 0.723 38.449 38.000 -0.457 0.000 1.267 428 I HN 0.631 nan 8.210 nan 0.000 0.431 429 M N 4.977 124.419 119.600 -0.263 0.000 2.622 429 M HA 0.588 5.073 4.480 0.007 0.000 0.276 429 M C -1.426 174.764 176.300 -0.183 0.000 1.265 429 M CA -0.599 54.570 55.300 -0.219 0.000 0.850 429 M CB 2.132 34.643 32.600 -0.149 0.000 1.720 429 M HN 0.462 nan 8.290 nan 0.000 0.465 430 T N -0.021 114.448 114.554 -0.142 0.000 2.792 430 T HA 0.702 5.057 4.350 0.007 0.000 0.280 430 T C -0.591 174.080 174.700 -0.047 0.000 0.990 430 T CA -0.708 61.362 62.100 -0.049 0.000 0.960 430 T CB 1.371 70.174 68.868 -0.109 0.000 0.939 430 T HN 0.534 nan 8.240 nan 0.000 0.439 431 V N 3.189 123.104 119.914 0.000 0.000 2.398 431 V HA 0.308 4.433 4.120 0.007 0.000 0.286 431 V C 0.383 176.461 176.094 -0.026 0.000 1.026 431 V CA -0.944 61.314 62.300 -0.070 0.000 0.868 431 V CB 1.485 33.237 31.823 -0.118 0.000 0.982 431 V HN 0.992 nan 8.190 nan 0.000 0.443 432 D N 4.277 124.630 120.400 -0.078 0.000 2.349 432 D HA 0.061 4.705 4.640 0.007 0.000 0.266 432 D C 1.037 177.306 176.300 -0.050 0.000 1.293 432 D CA 0.022 54.007 54.000 -0.025 0.000 0.926 432 D CB 1.044 41.813 40.800 -0.052 0.000 1.090 432 D HN 0.528 nan 8.370 nan 0.000 0.502 433 L N 3.202 124.458 121.223 0.055 0.000 2.642 433 L HA -0.103 4.241 4.340 0.007 0.000 0.236 433 L C 2.010 179.010 176.870 0.217 0.000 1.169 433 L CA 0.614 55.527 54.840 0.121 0.000 0.851 433 L CB -0.144 41.978 42.059 0.106 0.000 0.968 433 L HN 0.504 nan 8.230 nan 0.000 0.453 434 E N -0.484 119.804 120.200 0.147 0.000 2.134 434 E HA -0.110 4.244 4.350 0.007 0.000 0.194 434 E C 2.151 178.874 176.600 0.205 0.000 0.937 434 E CA 1.019 57.515 56.400 0.160 0.000 0.874 434 E CB 0.223 29.976 29.700 0.087 0.000 0.853 434 E HN 0.382 nan 8.360 nan 0.000 0.471 435 T N -2.929 111.683 114.554 0.096 0.000 2.770 435 T HA 0.177 4.532 4.350 0.007 0.000 0.258 435 T C 1.577 176.280 174.700 0.005 0.000 1.039 435 T CA 1.178 63.324 62.100 0.077 0.000 1.143 435 T CB 0.225 69.097 68.868 0.007 0.000 0.866 435 T HN 0.374 nan 8.240 nan 0.000 0.428 436 G N 0.912 109.506 108.800 -0.344 0.000 2.205 436 G HA2 -0.161 3.803 3.960 0.007 0.000 0.180 436 G HA3 -0.161 3.803 3.960 0.007 0.000 0.180 436 G C -0.000 174.630 174.900 -0.450 0.000 1.004 436 G CA 0.016 44.561 45.100 -0.925 0.000 0.670 436 G HN 0.774 nan 8.290 nan 0.000 0.496 437 K N 2.359 122.620 120.400 -0.233 0.000 2.336 437 K HA 0.338 4.662 4.320 0.007 0.000 0.290 437 K C -2.050 174.466 176.600 -0.141 0.000 1.067 437 K CA -1.262 54.939 56.287 -0.144 0.000 0.962 437 K CB 0.769 33.216 32.500 -0.088 0.000 1.008 437 K HN 0.186 nan 8.250 nan 0.000 0.467 438 P HA 0.131 nan 4.420 nan 0.000 0.278 438 P C -1.104 176.136 177.300 -0.100 0.000 1.238 438 P CA -0.384 62.647 63.100 -0.114 0.000 0.794 438 P CB 1.329 32.969 31.700 -0.101 0.000 0.955 439 T N 1.630 116.118 114.554 -0.110 0.000 2.965 439 T HA 0.219 4.573 4.350 0.007 0.000 0.306 439 T C -0.114 174.496 174.700 -0.150 0.000 0.991 439 T CA -0.418 61.612 62.100 -0.117 0.000 1.001 439 T CB 0.796 69.596 68.868 -0.114 0.000 0.984 439 T HN 0.078 nan 8.240 nan 0.000 0.446 440 V N 5.371 125.202 119.914 -0.137 0.000 2.529 440 V HA 0.161 4.285 4.120 0.007 0.000 0.292 440 V C 1.250 177.213 176.094 -0.218 0.000 1.028 440 V CA 0.332 62.539 62.300 -0.156 0.000 1.074 440 V CB 0.187 31.945 31.823 -0.108 0.000 0.958 440 V HN 0.854 nan 8.190 nan 0.000 0.481 441 I N 2.417 122.807 120.570 -0.300 0.000 2.512 441 I HA 0.240 4.415 4.170 0.007 0.000 0.247 441 I C 0.967 176.914 176.117 -0.284 0.000 1.094 441 I CA 0.723 61.757 61.300 -0.444 0.000 1.427 441 I CB 0.333 37.932 38.000 -0.668 0.000 1.149 441 I HN 0.677 nan 8.210 nan 0.000 0.438 442 E N 0.498 120.581 120.200 -0.195 0.000 2.375 442 E HA 0.385 4.739 4.350 0.007 0.000 0.280 442 E C -1.088 175.549 176.600 0.062 0.000 0.972 442 E CA -0.729 55.645 56.400 -0.044 0.000 0.782 442 E CB 2.372 32.086 29.700 0.023 0.000 1.229 442 E HN -0.027 nan 8.360 nan 0.000 0.439 443 R N 2.290 122.887 120.500 0.162 0.000 2.476 443 R HA 0.367 4.711 4.340 0.007 0.000 0.305 443 R C -1.078 175.421 176.300 0.332 0.000 0.965 443 R CA -0.365 55.854 56.100 0.199 0.000 0.867 443 R CB 1.833 32.196 30.300 0.104 0.000 1.176 443 R HN 0.445 nan 8.270 nan 0.000 0.447 444 S N 2.235 118.092 115.700 0.262 0.000 2.617 444 S HA 0.213 4.688 4.470 0.007 0.000 0.269 444 S C 0.757 175.432 174.600 0.126 0.000 1.292 444 S CA -0.649 57.539 58.200 -0.019 0.000 1.010 444 S CB 0.757 63.681 63.200 -0.460 0.000 0.944 444 S HN 0.806 nan 8.310 nan 0.000 0.536 445 R N 1.208 121.738 120.500 0.051 0.000 2.543 445 R HA 0.385 4.729 4.340 0.007 0.000 0.323 445 R C 0.044 176.439 176.300 0.159 0.000 1.002 445 R CA -0.336 55.878 56.100 0.190 0.000 1.106 445 R CB 0.125 30.486 30.300 0.103 0.000 1.280 445 R HN 0.459 nan 8.270 nan 0.000 0.549 446 E N 0.932 121.060 120.200 -0.119 0.000 2.288 446 E HA 0.329 4.683 4.350 0.007 0.000 0.200 446 E C 0.396 176.601 176.600 -0.658 0.000 0.880 446 E CA 0.766 57.026 56.400 -0.232 0.000 0.971 446 E CB 0.999 30.556 29.700 -0.238 0.000 0.954 446 E HN 0.330 nan 8.360 nan 0.000 0.489 447 A N 0.405 122.526 122.820 -1.165 0.000 2.588 447 A HA 0.649 4.973 4.320 0.007 0.000 0.290 447 A C -0.808 175.979 177.584 -1.329 0.000 1.136 447 A CA -0.711 50.463 52.037 -1.439 0.000 0.681 447 A CB 0.703 19.343 19.000 -0.600 0.000 1.282 447 A HN 0.009 nan 8.150 nan 0.000 0.421 448 M N 0.456 119.623 119.600 -0.723 0.000 2.240 448 M HA 0.295 4.779 4.480 0.007 0.000 0.333 448 M C -0.485 175.752 176.300 -0.103 0.000 1.110 448 M CA 0.613 55.797 55.300 -0.193 0.000 1.173 448 M CB 0.225 32.810 32.600 -0.024 0.000 1.458 448 M HN 0.464 nan 8.290 nan 0.000 0.458 449 I N 2.137 122.729 120.570 0.037 0.000 2.325 449 I HA 0.071 4.246 4.170 0.007 0.000 0.285 449 I C 1.159 177.435 176.117 0.266 0.000 1.128 449 I CA -0.160 61.216 61.300 0.127 0.000 1.261 449 I CB -0.047 38.028 38.000 0.126 0.000 1.529 449 I HN 0.821 nan 8.210 nan 0.000 0.557 450 T N -1.802 112.860 114.554 0.180 0.000 3.057 450 T HA 0.008 4.363 4.350 0.007 0.000 0.254 450 T C 0.720 175.377 174.700 -0.071 0.000 1.094 450 T CA 0.083 62.261 62.100 0.130 0.000 1.088 450 T CB 0.028 68.930 68.868 0.058 0.000 0.934 450 T HN 0.265 nan 8.240 nan 0.000 0.497 451 D N 1.619 122.055 120.400 0.060 0.000 2.456 451 D HA 0.413 5.058 4.640 0.007 0.000 0.219 451 D C -0.793 175.624 176.300 0.194 0.000 1.126 451 D CA -1.010 53.000 54.000 0.016 0.000 0.890 451 D CB -0.305 40.558 40.800 0.104 0.000 1.025 451 D HN 0.509 nan 8.370 nan 0.000 0.511 452 F N -0.006 120.045 119.950 0.167 0.000 2.626 452 F HA 0.704 5.235 4.527 0.007 0.000 0.311 452 F C -0.583 175.339 175.800 0.203 0.000 1.088 452 F CA -1.058 57.080 58.000 0.229 0.000 0.949 452 F CB 1.846 40.992 39.000 0.243 0.000 1.322 452 F HN -0.021 nan 8.300 nan 0.000 0.461 453 T N 1.720 116.607 114.554 0.554 0.000 2.900 453 T HA 0.706 5.061 4.350 0.007 0.000 0.303 453 T C -1.459 173.583 174.700 0.570 0.000 1.142 453 T CA -0.616 61.762 62.100 0.464 0.000 1.007 453 T CB 1.436 70.499 68.868 0.325 0.000 1.156 453 T HN 0.673 nan 8.240 nan 0.000 0.490 454 I N 3.407 124.249 120.570 0.453 0.000 2.441 454 I HA 0.386 4.561 4.170 0.007 0.000 0.295 454 I C 0.809 177.070 176.117 0.240 0.000 0.994 454 I CA -0.973 60.536 61.300 0.348 0.000 1.144 454 I CB 2.114 40.240 38.000 0.211 0.000 1.314 454 I HN 0.742 nan 8.210 nan 0.000 0.445 455 S N 2.467 118.105 115.700 -0.103 0.000 2.568 455 S HA 0.052 4.526 4.470 0.007 0.000 0.282 455 S C 0.549 175.125 174.600 -0.040 0.000 1.338 455 S CA -0.516 57.473 58.200 -0.352 0.000 1.045 455 S CB 1.021 63.789 63.200 -0.720 0.000 0.873 455 S HN 0.579 nan 8.310 nan 0.000 0.516 456 D N 1.683 122.103 120.400 0.035 0.000 2.221 456 D HA -0.121 4.523 4.640 0.007 0.000 0.204 456 D C 1.355 177.673 176.300 0.030 0.000 0.982 456 D CA 1.612 55.644 54.000 0.053 0.000 0.857 456 D CB -0.457 40.392 40.800 0.081 0.000 0.934 456 D HN 0.874 nan 8.370 nan 0.000 0.475 457 N N -0.975 117.736 118.700 0.019 0.000 2.383 457 N HA 0.016 4.760 4.740 0.007 0.000 0.192 457 N C -0.092 175.413 175.510 -0.009 0.000 1.141 457 N CA 0.145 53.204 53.050 0.015 0.000 0.851 457 N CB 0.331 38.843 38.487 0.041 0.000 0.976 457 N HN -0.256 nan 8.380 nan 0.000 0.465 458 S N -1.295 114.407 115.700 0.003 0.000 3.476 458 S HA -0.255 4.219 4.470 0.007 0.000 0.309 458 S C 1.008 175.621 174.600 0.021 0.000 1.222 458 S CA 1.127 59.386 58.200 0.098 0.000 0.922 458 S CB -1.397 61.908 63.200 0.174 0.000 1.023 458 S HN 0.773 nan 8.310 nan 0.000 0.591 459 R N -0.545 119.814 120.500 -0.234 0.000 2.175 459 R HA 0.311 4.655 4.340 0.007 0.000 0.202 459 R C -0.104 175.717 176.300 -0.799 0.000 1.018 459 R CA 0.687 56.423 56.100 -0.606 0.000 1.029 459 R CB 0.354 30.080 30.300 -0.957 0.000 0.959 459 R HN 0.358 nan 8.270 nan 0.000 0.480 460 F N 0.300 120.103 119.950 -0.246 0.000 2.538 460 F HA 0.504 5.036 4.527 0.007 0.000 0.325 460 F C -0.209 175.607 175.800 0.027 0.000 1.066 460 F CA -1.075 56.812 58.000 -0.189 0.000 0.946 460 F CB 1.788 40.586 39.000 -0.337 0.000 1.199 460 F HN -0.224 nan 8.300 nan 0.000 0.473 461 I N 2.271 123.122 120.570 0.469 0.000 2.476 461 I HA 0.477 4.652 4.170 0.007 0.000 0.281 461 I C -0.673 175.854 176.117 0.684 0.000 1.040 461 I CA -0.634 61.008 61.300 0.571 0.000 1.094 461 I CB 1.426 39.741 38.000 0.524 0.000 1.219 461 I HN 0.692 nan 8.210 nan 0.000 0.450 462 A N 6.952 130.188 122.820 0.693 0.000 2.301 462 A HA 0.837 5.162 4.320 0.007 0.000 0.312 462 A C -1.077 176.775 177.584 0.448 0.000 1.182 462 A CA -0.174 52.100 52.037 0.395 0.000 0.826 462 A CB 0.500 19.571 19.000 0.117 0.000 1.134 462 A HN 0.705 nan 8.150 nan 0.000 0.501 463 Y N -0.815 119.630 120.300 0.242 0.000 2.609 463 Y HA 0.691 5.245 4.550 0.007 0.000 0.336 463 Y C 0.137 176.124 175.900 0.144 0.000 1.129 463 Y CA -0.993 57.256 58.100 0.248 0.000 1.040 463 Y CB 0.704 39.351 38.460 0.312 0.000 1.310 463 Y HN 0.811 nan 8.280 nan 0.000 0.460 464 G N 1.374 110.343 108.800 0.282 0.000 2.355 464 G HA2 0.405 4.369 3.960 0.007 0.000 0.276 464 G HA3 0.405 4.369 3.960 0.007 0.000 0.276 464 G C -1.924 173.087 174.900 0.185 0.000 1.198 464 G CA -0.396 44.769 45.100 0.107 0.000 0.876 464 G HN 0.688 nan 8.290 nan 0.000 0.478 465 F N 6.284 126.136 119.950 -0.163 0.000 2.325 465 F HA 0.448 4.980 4.527 0.007 0.000 0.369 465 F C -1.963 173.736 175.800 -0.169 0.000 1.095 465 F CA -2.966 54.938 58.000 -0.160 0.000 1.082 465 F CB 2.096 40.786 39.000 -0.516 0.000 1.289 465 F HN 0.259 nan 8.300 nan 0.000 0.462 466 P HA 0.174 nan 4.420 nan 0.000 0.271 466 P C -1.298 175.642 177.300 -0.600 0.000 1.220 466 P CA 0.134 62.960 63.100 -0.456 0.000 0.768 466 P CB 1.379 32.855 31.700 -0.374 0.000 0.848 467 L N 0.830 121.883 121.223 -0.283 0.000 2.341 467 L HA 0.822 5.166 4.340 0.007 0.000 0.254 467 L C -0.676 176.166 176.870 -0.047 0.000 1.040 467 L CA -0.940 53.808 54.840 -0.154 0.000 0.837 467 L CB 2.017 44.090 42.059 0.024 0.000 1.425 467 L HN 0.123 nan 8.230 nan 0.000 0.414 468 K N -0.953 119.441 120.400 -0.010 0.000 2.508 468 K HA 0.411 4.736 4.320 0.007 0.000 0.260 468 K C -1.314 175.312 176.600 0.044 0.000 0.949 468 K CA -0.790 55.518 56.287 0.034 0.000 0.834 468 K CB 1.594 34.104 32.500 0.017 0.000 1.365 468 K HN 0.722 nan 8.250 nan 0.000 0.437 469 H N 0.635 119.723 119.070 0.030 0.000 2.476 469 H HA 0.363 4.923 4.556 0.007 0.000 0.256 469 H C -0.918 174.425 175.328 0.025 0.000 1.321 469 H CA 0.103 56.169 56.048 0.029 0.000 1.056 469 H CB 0.617 30.395 29.762 0.027 0.000 1.643 469 H HN 0.834 nan 8.280 nan 0.000 0.541 470 G N 0.691 109.546 108.800 0.091 0.000 2.308 470 G HA2 -0.100 3.864 3.960 0.007 0.000 0.288 470 G HA3 -0.100 3.864 3.960 0.007 0.000 0.288 470 G C 0.085 175.006 174.900 0.035 0.000 1.722 470 G CA -0.677 44.467 45.100 0.072 0.000 0.924 470 G HN 0.178 nan 8.290 nan 0.000 0.732 471 E N 0.432 120.641 120.200 0.017 0.000 2.482 471 E HA 0.008 4.363 4.350 0.007 0.000 0.200 471 E C 1.369 177.966 176.600 -0.006 0.000 1.147 471 E CA 1.308 57.708 56.400 0.001 0.000 0.912 471 E CB 0.093 29.787 29.700 -0.010 0.000 0.938 471 E HN 0.697 nan 8.360 nan 0.000 0.519 472 T N -3.080 111.477 114.554 0.005 0.000 3.502 472 T HA 0.071 4.426 4.350 0.007 0.000 0.310 472 T C 0.016 174.723 174.700 0.011 0.000 0.902 472 T CA -0.659 61.439 62.100 -0.003 0.000 0.964 472 T CB 0.321 69.183 68.868 -0.010 0.000 1.200 472 T HN -0.160 nan 8.240 nan 0.000 0.599 473 D N 1.883 122.300 120.400 0.029 0.000 2.449 473 D HA 0.245 4.889 4.640 0.007 0.000 0.236 473 D C 1.499 177.808 176.300 0.015 0.000 1.149 473 D CA 0.561 54.592 54.000 0.052 0.000 0.878 473 D CB 1.121 41.971 40.800 0.084 0.000 1.198 473 D HN 0.359 nan 8.370 nan 0.000 0.446 474 G N 0.831 109.643 108.800 0.021 0.000 2.511 474 G HA2 -0.084 3.880 3.960 0.007 0.000 0.217 474 G HA3 -0.084 3.880 3.960 0.007 0.000 0.217 474 G C 0.011 174.671 174.900 -0.401 0.000 1.133 474 G CA 0.626 45.631 45.100 -0.158 0.000 0.792 474 G HN 0.370 nan 8.290 nan 0.000 0.539 475 Y N -1.682 118.622 120.300 0.007 0.000 2.598 475 Y HA 0.609 5.163 4.550 0.007 0.000 0.340 475 Y C -0.414 175.482 175.900 -0.007 0.000 1.038 475 Y CA -1.152 56.946 58.100 -0.005 0.000 1.100 475 Y CB 2.335 40.795 38.460 0.001 0.000 1.281 475 Y HN -0.191 nan 8.280 nan 0.000 0.488 476 V N 3.888 123.882 119.914 0.132 0.000 2.409 476 V HA 0.344 4.468 4.120 0.007 0.000 0.291 476 V C -0.229 175.919 176.094 0.090 0.000 1.020 476 V CA -0.880 61.454 62.300 0.057 0.000 0.848 476 V CB 1.100 32.910 31.823 -0.022 0.000 0.990 476 V HN 0.664 nan 8.190 nan 0.000 0.430 477 M N 3.442 123.083 119.600 0.067 0.000 2.267 477 M HA 0.525 5.009 4.480 0.007 0.000 0.303 477 M C -0.250 176.059 176.300 0.015 0.000 1.164 477 M CA -0.156 55.188 55.300 0.072 0.000 1.060 477 M CB 0.789 33.424 32.600 0.059 0.000 1.455 477 M HN 0.754 nan 8.290 nan 0.000 0.483 478 Q N 0.381 120.173 119.800 -0.014 0.000 2.263 478 Q HA 0.669 5.013 4.340 0.007 0.000 0.262 478 Q C -2.110 173.812 176.000 -0.130 0.000 0.984 478 Q CA -0.430 55.300 55.803 -0.121 0.000 0.813 478 Q CB 2.080 30.658 28.738 -0.266 0.000 1.299 478 Q HN 0.852 nan 8.270 nan 0.000 0.428 479 A N 4.851 127.594 122.820 -0.128 0.000 2.342 479 A HA 0.625 4.950 4.320 0.007 0.000 0.323 479 A C -0.554 176.880 177.584 -0.250 0.000 1.125 479 A CA -0.714 51.228 52.037 -0.158 0.000 0.785 479 A CB 0.854 19.802 19.000 -0.088 0.000 1.221 479 A HN 0.727 nan 8.150 nan 0.000 0.463 480 I N 2.907 123.325 120.570 -0.255 0.000 2.556 480 I HA 0.169 4.343 4.170 0.007 0.000 0.284 480 I C -0.102 175.904 176.117 -0.186 0.000 1.114 480 I CA 0.291 61.424 61.300 -0.279 0.000 1.418 480 I CB -0.059 37.705 38.000 -0.393 0.000 1.394 480 I HN 0.544 nan 8.210 nan 0.000 0.552 481 H N 4.523 123.283 119.070 -0.517 0.000 2.569 481 H HA 0.612 5.172 4.556 0.007 0.000 0.357 481 H C -0.654 174.344 175.328 -0.551 0.000 1.153 481 H CA -0.771 54.912 56.048 -0.609 0.000 1.193 481 H CB 2.160 31.388 29.762 -0.890 0.000 1.602 481 H HN 0.206 nan 8.280 nan 0.000 0.523 482 V N 3.625 123.516 119.914 -0.039 0.000 2.540 482 V HA 0.168 4.293 4.120 0.007 0.000 0.302 482 V C -1.032 175.296 176.094 0.388 0.000 1.035 482 V CA -0.912 61.497 62.300 0.181 0.000 0.873 482 V CB 1.599 33.520 31.823 0.163 0.000 0.992 482 V HN 0.634 nan 8.190 nan 0.000 0.428 483 Y N 3.495 124.013 120.300 0.364 0.000 2.352 483 Y HA 0.539 5.093 4.550 0.007 0.000 0.339 483 Y C -0.278 175.795 175.900 0.288 0.000 0.992 483 Y CA -1.114 57.179 58.100 0.322 0.000 1.100 483 Y CB 1.517 40.158 38.460 0.301 0.000 1.192 483 Y HN 0.708 nan 8.280 nan 0.000 0.458 484 D N 6.563 126.736 120.400 -0.378 0.000 2.274 484 D HA 0.124 4.768 4.640 0.007 0.000 0.239 484 D C 0.803 176.567 176.300 -0.894 0.000 1.104 484 D CA -0.230 53.507 54.000 -0.438 0.000 0.840 484 D CB 1.274 42.037 40.800 -0.061 0.000 1.100 484 D HN 0.710 nan 8.370 nan 0.000 0.477 485 M N 1.931 121.105 119.600 -0.711 0.000 2.296 485 M HA -0.073 4.412 4.480 0.007 0.000 0.265 485 M C 0.290 176.368 176.300 -0.370 0.000 1.064 485 M CA 1.167 56.138 55.300 -0.549 0.000 1.109 485 M CB -0.397 31.955 32.600 -0.414 0.000 1.396 485 M HN 0.359 nan 8.290 nan 0.000 0.430 486 E N -0.121 119.878 120.200 -0.335 0.000 2.146 486 E HA 0.427 4.782 4.350 0.007 0.000 0.282 486 E C 0.888 177.405 176.600 -0.139 0.000 0.989 486 E CA 0.156 56.437 56.400 -0.198 0.000 0.799 486 E CB 0.830 30.428 29.700 -0.170 0.000 1.088 486 E HN 0.451 nan 8.360 nan 0.000 0.397 487 G N 3.930 112.679 108.800 -0.086 0.000 2.241 487 G HA2 -0.400 3.565 3.960 0.007 0.000 0.244 487 G HA3 -0.400 3.565 3.960 0.007 0.000 0.244 487 G C 0.294 175.173 174.900 -0.035 0.000 0.998 487 G CA -0.078 45.002 45.100 -0.033 0.000 0.621 487 G HN 0.621 nan 8.290 nan 0.000 0.519 488 R N -0.109 120.328 120.500 -0.105 0.000 2.939 488 R HA -0.189 4.156 4.340 0.007 0.000 0.255 488 R C 0.034 176.401 176.300 0.112 0.000 0.882 488 R CA 1.703 57.787 56.100 -0.026 0.000 0.658 488 R CB -1.719 28.646 30.300 0.109 0.000 1.447 488 R HN 0.886 nan 8.270 nan 0.000 0.506 489 K N 0.510 120.935 120.400 0.041 0.000 2.498 489 K HA 0.567 4.891 4.320 0.007 0.000 0.254 489 K C -0.464 176.130 176.600 -0.011 0.000 0.933 489 K CA -1.036 55.245 56.287 -0.010 0.000 0.806 489 K CB 1.976 34.362 32.500 -0.190 0.000 1.301 489 K HN 0.032 nan 8.250 nan 0.000 0.432 490 I N 2.406 122.896 120.570 -0.134 0.000 2.440 490 I HA 0.377 4.551 4.170 0.007 0.000 0.294 490 I C -0.750 175.061 176.117 -0.510 0.000 0.995 490 I CA -0.710 60.523 61.300 -0.112 0.000 1.306 490 I CB 0.467 38.390 38.000 -0.128 0.000 1.407 490 I HN 0.450 nan 8.210 nan 0.000 0.501 491 F N 3.034 122.912 119.950 -0.120 0.000 2.593 491 F HA 0.625 5.156 4.527 0.007 0.000 0.320 491 F C 0.229 175.896 175.800 -0.221 0.000 1.060 491 F CA -0.917 57.004 58.000 -0.133 0.000 0.940 491 F CB 1.646 40.618 39.000 -0.046 0.000 1.268 491 F HN 0.348 nan 8.300 nan 0.000 0.475 492 A N 0.891 123.728 122.820 0.028 0.000 2.294 492 A HA 0.638 4.962 4.320 0.007 0.000 0.316 492 A C 0.660 178.300 177.584 0.093 0.000 1.359 492 A CA 0.119 52.137 52.037 -0.033 0.000 0.956 492 A CB 0.164 19.064 19.000 -0.167 0.000 1.155 492 A HN 0.968 nan 8.150 nan 0.000 0.544 493 A N 2.599 125.429 122.820 0.017 0.000 1.970 493 A HA 0.306 4.630 4.320 0.007 0.000 0.216 493 A C 1.174 178.706 177.584 -0.087 0.000 1.170 493 A CA 1.658 53.663 52.037 -0.054 0.000 0.645 493 A CB 0.008 18.886 19.000 -0.203 0.000 0.816 493 A HN 0.630 nan 8.150 nan 0.000 0.447 494 T N -0.840 113.632 114.554 -0.137 0.000 2.901 494 T HA 0.502 4.856 4.350 0.007 0.000 0.293 494 T C -0.046 174.550 174.700 -0.172 0.000 1.084 494 T CA -0.013 61.989 62.100 -0.164 0.000 1.008 494 T CB 1.577 70.258 68.868 -0.312 0.000 1.170 494 T HN 0.384 nan 8.240 nan 0.000 0.509 495 T N -0.664 113.800 114.554 -0.150 0.000 2.849 495 T HA 0.344 4.698 4.350 0.007 0.000 0.284 495 T C 0.333 174.978 174.700 -0.092 0.000 1.004 495 T CA -0.847 61.153 62.100 -0.168 0.000 1.021 495 T CB 0.479 69.287 68.868 -0.099 0.000 1.013 495 T HN 0.716 nan 8.240 nan 0.000 0.527 496 E N 0.410 120.578 120.200 -0.054 0.000 2.364 496 E HA 0.241 4.596 4.350 0.007 0.000 0.270 496 E C -0.185 176.426 176.600 0.018 0.000 1.398 496 E CA -0.407 55.993 56.400 0.001 0.000 1.721 496 E CB -0.718 29.012 29.700 0.050 0.000 1.525 496 E HN 0.707 nan 8.360 nan 0.000 0.446 497 N N 0.408 119.105 118.700 -0.004 0.000 2.184 497 N HA -0.002 4.743 4.740 0.007 0.000 0.206 497 N C 0.095 175.604 175.510 -0.002 0.000 1.151 497 N CA 0.188 53.236 53.050 -0.004 0.000 0.878 497 N CB 0.845 39.321 38.487 -0.019 0.000 1.014 497 N HN 0.333 nan 8.380 nan 0.000 0.512 498 S N -1.172 114.540 115.700 0.020 0.000 3.813 498 S HA 0.179 4.653 4.470 0.007 0.000 0.309 498 S C -1.566 173.117 174.600 0.139 0.000 1.136 498 S CA -0.743 57.495 58.200 0.062 0.000 1.190 498 S CB 1.295 64.531 63.200 0.060 0.000 1.582 498 S HN 0.053 nan 8.310 nan 0.000 0.647 499 H N 1.779 120.921 119.070 0.121 0.000 2.762 499 H HA 0.491 5.051 4.556 0.007 0.000 0.310 499 H C -1.680 173.835 175.328 0.312 0.000 1.004 499 H CA -0.314 55.852 56.048 0.196 0.000 1.267 499 H CB 0.635 30.537 29.762 0.234 0.000 1.437 499 H HN 0.568 nan 8.280 nan 0.000 0.498 500 D N 5.959 126.358 120.400 -0.002 0.000 2.278 500 D HA 0.210 4.855 4.640 0.007 0.000 0.245 500 D C -0.183 176.181 176.300 0.106 0.000 1.052 500 D CA -0.151 53.912 54.000 0.104 0.000 0.834 500 D CB 2.073 42.846 40.800 -0.046 0.000 1.194 500 D HN 0.576 nan 8.370 nan 0.000 0.481 501 Y N -1.937 118.373 120.300 0.016 0.000 2.974 501 Y HA 0.566 5.120 4.550 0.007 0.000 0.310 501 Y C 0.224 176.189 175.900 0.108 0.000 1.551 501 Y CA -1.406 56.706 58.100 0.021 0.000 1.084 501 Y CB 0.455 38.944 38.460 0.049 0.000 1.446 501 Y HN 0.359 nan 8.280 nan 0.000 0.472 502 A N -0.239 122.686 122.820 0.175 0.000 2.704 502 A HA -0.147 4.178 4.320 0.007 0.000 0.299 502 A C -2.423 175.180 177.584 0.032 0.000 1.507 502 A CA 0.390 52.473 52.037 0.078 0.000 0.776 502 A CB -2.748 16.255 19.000 0.005 0.000 1.027 502 A HN 0.577 nan 8.150 nan 0.000 0.475 503 P HA 0.380 nan 4.420 nan 0.000 0.266 503 P C -0.112 177.180 177.300 -0.013 0.000 1.193 503 P CA 1.101 64.207 63.100 0.009 0.000 0.770 503 P CB 0.876 32.557 31.700 -0.032 0.000 0.836 504 A N 2.240 125.006 122.820 -0.091 0.000 2.532 504 A HA 0.603 4.927 4.320 0.007 0.000 0.296 504 A C -1.230 176.307 177.584 -0.079 0.000 1.058 504 A CA -0.571 51.448 52.037 -0.031 0.000 0.729 504 A CB 0.537 19.557 19.000 0.035 0.000 1.285 504 A HN 0.278 nan 8.150 nan 0.000 0.396 505 F N 1.634 121.690 119.950 0.177 0.000 2.378 505 F HA 0.479 5.010 4.527 0.007 0.000 0.325 505 F C 0.823 176.726 175.800 0.171 0.000 1.097 505 F CA -0.075 58.040 58.000 0.192 0.000 1.079 505 F CB 1.234 40.334 39.000 0.166 0.000 1.240 505 F HN 0.694 nan 8.300 nan 0.000 0.519 506 D N 0.871 121.514 120.400 0.406 0.000 2.312 506 D HA 0.331 4.976 4.640 0.007 0.000 0.248 506 D C 0.854 177.285 176.300 0.218 0.000 1.086 506 D CA -0.359 53.791 54.000 0.249 0.000 0.948 506 D CB 0.847 41.812 40.800 0.275 0.000 1.162 506 D HN 0.572 nan 8.370 nan 0.000 0.446 507 A N 1.331 124.236 122.820 0.142 0.000 1.896 507 A HA -0.290 4.034 4.320 0.007 0.000 0.220 507 A C 1.521 179.181 177.584 0.126 0.000 1.206 507 A CA 2.128 54.236 52.037 0.118 0.000 0.647 507 A CB -0.842 18.208 19.000 0.082 0.000 0.828 507 A HN 0.641 nan 8.150 nan 0.000 0.455 508 D N -0.329 120.148 120.400 0.129 0.000 2.371 508 D HA 0.114 4.758 4.640 0.007 0.000 0.221 508 D C 0.372 176.774 176.300 0.170 0.000 0.986 508 D CA 1.035 55.110 54.000 0.125 0.000 0.899 508 D CB -0.202 40.660 40.800 0.104 0.000 0.902 508 D HN 0.296 nan 8.370 nan 0.000 0.530 509 S N -0.288 115.540 115.700 0.212 0.000 3.711 509 S HA -0.161 4.314 4.470 0.007 0.000 0.374 509 S C 1.197 175.984 174.600 0.310 0.000 0.969 509 S CA 0.348 58.704 58.200 0.260 0.000 1.198 509 S CB -0.638 62.685 63.200 0.206 0.000 0.903 509 S HN 0.291 nan 8.310 nan 0.000 0.493 510 K N -0.140 120.421 120.400 0.269 0.000 2.399 510 K HA 0.214 4.538 4.320 0.007 0.000 0.196 510 K C 0.170 176.877 176.600 0.178 0.000 1.117 510 K CA 0.580 57.005 56.287 0.230 0.000 0.965 510 K CB 0.239 32.829 32.500 0.149 0.000 0.983 510 K HN 0.577 nan 8.250 nan 0.000 0.531 511 N N 0.218 119.033 118.700 0.191 0.000 2.242 511 N HA 0.294 5.039 4.740 0.007 0.000 0.292 511 N C -1.666 173.899 175.510 0.092 0.000 1.125 511 N CA -0.688 52.401 53.050 0.064 0.000 0.783 511 N CB 2.015 40.464 38.487 -0.063 0.000 1.558 511 N HN -0.150 nan 8.380 nan 0.000 0.472 512 L N 1.767 122.933 121.223 -0.094 0.000 2.296 512 L HA 0.566 4.910 4.340 0.007 0.000 0.286 512 L C -1.646 175.121 176.870 -0.172 0.000 1.023 512 L CA -0.412 54.303 54.840 -0.210 0.000 0.812 512 L CB 0.117 41.973 42.059 -0.338 0.000 1.223 512 L HN 0.497 nan 8.230 nan 0.000 0.421 513 Y N 5.120 125.365 120.300 -0.091 0.000 2.457 513 Y HA 0.703 5.258 4.550 0.008 0.000 0.333 513 Y C -0.476 175.444 175.900 0.034 0.000 1.119 513 Y CA -0.213 57.864 58.100 -0.037 0.000 1.143 513 Y CB 1.653 40.061 38.460 -0.086 0.000 1.230 513 Y HN 0.645 nan 8.280 nan 0.000 0.469 514 Y N -1.353 118.952 120.300 0.009 0.000 2.741 514 Y HA 0.724 5.278 4.550 0.007 0.000 0.339 514 Y C -2.405 173.413 175.900 -0.137 0.000 1.226 514 Y CA -1.799 56.235 58.100 -0.110 0.000 1.072 514 Y CB 0.749 39.120 38.460 -0.149 0.000 1.331 514 Y HN 0.433 nan 8.280 nan 0.000 0.453 515 L N 2.087 123.105 121.223 -0.341 0.000 2.303 515 L HA 0.928 5.272 4.340 0.007 0.000 0.266 515 L C -0.709 175.925 176.870 -0.394 0.000 1.011 515 L CA -0.997 53.540 54.840 -0.506 0.000 0.818 515 L CB 2.350 43.919 42.059 -0.818 0.000 1.326 515 L HN 0.910 nan 8.230 nan 0.000 0.435 516 S N -1.139 114.480 115.700 -0.135 0.000 2.537 516 S HA 0.398 4.873 4.470 0.007 0.000 0.271 516 S C -1.170 173.479 174.600 0.081 0.000 1.148 516 S CA -0.741 57.518 58.200 0.099 0.000 0.868 516 S CB 0.944 64.187 63.200 0.071 0.000 1.115 516 S HN 0.368 nan 8.310 nan 0.000 0.461 517 Y N 1.214 121.716 120.300 0.336 0.000 2.960 517 Y HA 0.336 4.891 4.550 0.007 0.000 0.393 517 Y C 1.611 177.560 175.900 0.083 0.000 1.118 517 Y CA -0.523 57.697 58.100 0.200 0.000 1.850 517 Y CB -0.322 38.229 38.460 0.152 0.000 1.827 517 Y HN 0.582 nan 8.280 nan 0.000 0.463 518 R N -1.452 119.159 120.500 0.185 0.000 2.335 518 R HA 0.138 4.482 4.340 0.007 0.000 0.210 518 R C 0.806 177.164 176.300 0.096 0.000 0.892 518 R CA 0.103 56.263 56.100 0.100 0.000 1.048 518 R CB 0.419 30.758 30.300 0.065 0.000 1.067 518 R HN 0.036 nan 8.270 nan 0.000 0.524 519 S N 2.258 118.044 115.700 0.144 0.000 3.864 519 S HA 0.169 4.643 4.470 0.007 0.000 0.202 519 S C 0.331 174.987 174.600 0.093 0.000 1.402 519 S CA -0.067 58.206 58.200 0.121 0.000 1.072 519 S CB -0.474 62.801 63.200 0.126 0.000 1.383 519 S HN 0.201 nan 8.310 nan 0.000 0.458 520 L N 2.346 123.581 121.223 0.019 0.000 2.615 520 L HA 0.074 4.419 4.340 0.007 0.000 0.284 520 L C 0.328 177.306 176.870 0.180 0.000 1.237 520 L CA 0.381 55.220 54.840 -0.003 0.000 0.905 520 L CB 0.017 41.963 42.059 -0.189 0.000 1.149 520 L HN 0.293 nan 8.230 nan 0.000 0.499 521 D N 4.012 124.635 120.400 0.372 0.000 2.400 521 D HA 0.189 4.833 4.640 0.007 0.000 0.197 521 D C -2.695 173.767 176.300 0.269 0.000 1.295 521 D CA -0.837 53.320 54.000 0.262 0.000 0.878 521 D CB 1.835 42.731 40.800 0.161 0.000 1.659 521 D HN 0.101 nan 8.370 nan 0.000 0.546 522 P HA 0.255 nan 4.420 nan 0.000 0.271 522 P C -0.596 176.736 177.300 0.054 0.000 1.216 522 P CA -0.314 62.739 63.100 -0.078 0.000 0.776 522 P CB 0.955 32.533 31.700 -0.203 0.000 0.881 523 S N 3.773 119.514 115.700 0.068 0.000 2.454 523 S HA 0.490 4.965 4.470 0.007 0.000 0.306 523 S C -2.331 172.366 174.600 0.161 0.000 1.100 523 S CA -1.315 56.952 58.200 0.111 0.000 1.087 523 S CB 1.371 64.601 63.200 0.050 0.000 1.019 523 S HN 0.448 nan 8.310 nan 0.000 0.480 524 P HA 0.133 nan 4.420 nan 0.000 0.275 524 P C -1.060 176.102 177.300 -0.230 0.000 1.228 524 P CA -0.319 62.698 63.100 -0.138 0.000 0.786 524 P CB 0.622 32.330 31.700 0.014 0.000 0.927 525 D N 2.613 122.772 120.400 -0.401 0.000 2.225 525 D HA 0.087 4.731 4.640 0.007 0.000 0.248 525 D C 0.860 177.029 176.300 -0.217 0.000 1.096 525 D CA -0.421 53.413 54.000 -0.277 0.000 0.863 525 D CB 0.961 41.562 40.800 -0.331 0.000 1.156 525 D HN 0.107 nan 8.370 nan 0.000 0.450 526 R N 2.699 123.116 120.500 -0.138 0.000 2.313 526 R HA 0.073 4.417 4.340 0.007 0.000 0.199 526 R C 0.992 177.242 176.300 -0.084 0.000 0.958 526 R CA 0.209 56.252 56.100 -0.095 0.000 1.047 526 R CB 0.016 30.282 30.300 -0.057 0.000 0.955 526 R HN 0.333 nan 8.270 nan 0.000 0.481 527 V N -0.637 119.213 119.914 -0.106 0.000 3.054 527 V HA 0.141 4.266 4.120 0.007 0.000 0.227 527 V C 0.652 176.695 176.094 -0.085 0.000 1.252 527 V CA 0.289 62.545 62.300 -0.074 0.000 1.279 527 V CB 0.553 32.343 31.823 -0.055 0.000 1.118 527 V HN -0.208 nan 8.190 nan 0.000 0.504 528 V N 2.356 122.174 119.914 -0.160 0.000 2.472 528 V HA 0.381 4.506 4.120 0.007 0.000 0.290 528 V C -0.060 175.923 176.094 -0.185 0.000 1.037 528 V CA -0.611 61.597 62.300 -0.153 0.000 0.908 528 V CB 1.633 33.246 31.823 -0.350 0.000 0.985 528 V HN 0.380 nan 8.190 nan 0.000 0.454 529 L N 5.883 127.045 121.223 -0.103 0.000 2.774 529 L HA 0.229 4.573 4.340 0.007 0.000 0.284 529 L C -0.013 176.746 176.870 -0.185 0.000 1.149 529 L CA 1.146 55.904 54.840 -0.137 0.000 1.069 529 L CB -1.416 40.631 42.059 -0.019 0.000 1.407 529 L HN 0.854 nan 8.230 nan 0.000 0.460 530 N N 3.649 122.102 118.700 -0.412 0.000 2.961 530 N HA 0.431 5.176 4.740 0.007 0.000 0.245 530 N C -1.831 173.260 175.510 -0.697 0.000 1.404 530 N CA -0.428 52.419 53.050 -0.338 0.000 0.880 530 N CB 1.127 39.478 38.487 -0.227 0.000 1.461 530 N HN 0.187 nan 8.380 nan 0.000 0.510 531 F N 0.158 120.032 119.950 -0.127 0.000 2.578 531 F HA 0.528 5.060 4.527 0.007 0.000 0.311 531 F C 0.404 176.040 175.800 -0.273 0.000 1.094 531 F CA -0.505 57.386 58.000 -0.181 0.000 0.923 531 F CB 2.165 41.053 39.000 -0.187 0.000 1.230 531 F HN 0.350 nan 8.300 nan 0.000 0.450 532 S N 1.515 117.136 115.700 -0.133 0.000 2.569 532 S HA 0.673 5.147 4.470 0.007 0.000 0.280 532 S C -1.344 173.050 174.600 -0.343 0.000 1.111 532 S CA -0.566 57.482 58.200 -0.254 0.000 0.887 532 S CB 0.718 63.849 63.200 -0.114 0.000 1.095 532 S HN 0.395 nan 8.310 nan 0.000 0.476 533 F N 3.235 123.211 119.950 0.043 0.000 2.462 533 F HA 0.352 4.883 4.527 0.007 0.000 0.354 533 F C 1.534 177.352 175.800 0.030 0.000 1.192 533 F CA -0.378 57.646 58.000 0.041 0.000 1.173 533 F CB 0.746 39.761 39.000 0.026 0.000 1.402 533 F HN 0.618 nan 8.300 nan 0.000 0.595 534 E N 1.750 122.038 120.200 0.147 0.000 2.045 534 E HA 0.006 4.361 4.350 0.007 0.000 0.190 534 E C 0.781 177.459 176.600 0.129 0.000 0.968 534 E CA 0.904 57.367 56.400 0.106 0.000 0.813 534 E CB -0.013 29.726 29.700 0.063 0.000 0.780 534 E HN 0.293 nan 8.360 nan 0.000 0.455 535 V N 0.644 120.635 119.914 0.128 0.000 2.225 535 V HA 0.324 4.448 4.120 0.007 0.000 0.264 535 V C 0.461 176.630 176.094 0.124 0.000 1.067 535 V CA -0.508 61.845 62.300 0.089 0.000 0.903 535 V CB 0.661 32.509 31.823 0.042 0.000 1.136 535 V HN 0.025 nan 8.190 nan 0.000 0.456 536 V N -0.131 119.899 119.914 0.193 0.000 3.070 536 V HA 0.480 4.604 4.120 0.007 0.000 0.345 536 V C 0.601 176.806 176.094 0.185 0.000 1.403 536 V CA 0.457 62.879 62.300 0.204 0.000 1.155 536 V CB 0.101 32.067 31.823 0.239 0.000 1.140 536 V HN 0.632 nan 8.190 nan 0.000 0.505 537 S N 1.486 117.229 115.700 0.072 0.000 2.508 537 S HA 0.707 5.181 4.470 0.007 0.000 0.284 537 S C -0.515 174.129 174.600 0.073 0.000 1.192 537 S CA -0.401 57.766 58.200 -0.055 0.000 1.070 537 S CB 1.247 64.303 63.200 -0.239 0.000 1.004 537 S HN 0.713 nan 8.310 nan 0.000 0.493 538 K N 3.548 124.044 120.400 0.160 0.000 2.562 538 K HA 0.541 4.865 4.320 0.007 0.000 0.267 538 K C -3.048 173.566 176.600 0.023 0.000 0.938 538 K CA -1.929 54.444 56.287 0.143 0.000 0.840 538 K CB 2.128 34.632 32.500 0.007 0.000 1.390 538 K HN 0.373 nan 8.250 nan 0.000 0.428 539 P HA 0.393 nan 4.420 nan 0.000 0.284 539 P C -1.170 175.843 177.300 -0.477 0.000 1.258 539 P CA -0.374 62.568 63.100 -0.263 0.000 0.824 539 P CB 0.761 32.289 31.700 -0.285 0.000 1.038 540 F N 0.062 119.665 119.950 -0.577 0.000 2.650 540 F HA 0.609 5.140 4.527 0.007 0.000 0.320 540 F C 0.001 175.459 175.800 -0.570 0.000 1.091 540 F CA -0.906 56.743 58.000 -0.584 0.000 0.962 540 F CB 1.968 40.510 39.000 -0.764 0.000 1.363 540 F HN 0.069 nan 8.300 nan 0.000 0.482 541 V N 2.289 122.090 119.914 -0.187 0.000 3.114 541 V HA 0.706 4.831 4.120 0.007 0.000 0.308 541 V C -1.636 174.383 176.094 -0.125 0.000 1.168 541 V CA -0.712 61.371 62.300 -0.361 0.000 1.015 541 V CB 2.459 33.889 31.823 -0.655 0.000 1.050 541 V HN 0.594 nan 8.190 nan 0.000 0.433 542 I N 6.348 126.822 120.570 -0.159 0.000 2.531 542 I HA 0.391 4.565 4.170 0.007 0.000 0.283 542 I C -2.688 173.362 176.117 -0.112 0.000 1.083 542 I CA -1.566 59.689 61.300 -0.076 0.000 1.071 542 I CB 2.718 40.705 38.000 -0.022 0.000 1.210 542 I HN 0.474 nan 8.210 nan 0.000 0.450 543 P HA 0.172 nan 4.420 nan 0.000 0.276 543 P C 0.566 177.840 177.300 -0.042 0.000 1.235 543 P CA -0.188 62.881 63.100 -0.051 0.000 0.772 543 P CB 1.255 32.933 31.700 -0.037 0.000 0.871 544 L N 2.769 123.985 121.223 -0.011 0.000 2.551 544 L HA 0.093 4.438 4.340 0.007 0.000 0.228 544 L C 1.092 178.006 176.870 0.074 0.000 1.153 544 L CA 0.805 55.626 54.840 -0.032 0.000 0.851 544 L CB -0.412 41.610 42.059 -0.062 0.000 0.959 544 L HN 0.350 nan 8.230 nan 0.000 0.451 545 I N 0.710 121.314 120.570 0.057 0.000 2.405 545 I HA 0.287 4.462 4.170 0.007 0.000 0.280 545 I C -2.263 173.850 176.117 -0.007 0.000 1.027 545 I CA -2.033 59.286 61.300 0.032 0.000 1.161 545 I CB 1.473 39.473 38.000 0.000 0.000 1.300 545 I HN -0.278 nan 8.210 nan 0.000 0.463 546 P HA 0.018 nan 4.420 nan 0.000 0.263 546 P C 0.938 178.224 177.300 -0.024 0.000 1.175 546 P CA 0.963 64.045 63.100 -0.030 0.000 0.761 546 P CB 0.638 32.319 31.700 -0.032 0.000 0.794 547 G N 1.561 110.345 108.800 -0.025 0.000 2.279 547 G HA2 -0.242 3.722 3.960 0.007 0.000 0.223 547 G HA3 -0.242 3.722 3.960 0.007 0.000 0.223 547 G C 0.530 175.420 174.900 -0.017 0.000 1.015 547 G CA 0.154 45.242 45.100 -0.020 0.000 0.621 547 G HN 0.762 nan 8.290 nan 0.000 0.506 548 S N 3.384 119.074 115.700 -0.017 0.000 2.528 548 S HA 0.590 5.064 4.470 0.007 0.000 0.277 548 S C -1.125 173.466 174.600 -0.015 0.000 1.297 548 S CA -0.281 57.911 58.200 -0.012 0.000 1.052 548 S CB 1.203 64.399 63.200 -0.008 0.000 0.917 548 S HN 0.482 nan 8.310 nan 0.000 0.492 549 P HA 0.164 nan 4.420 nan 0.000 0.282 549 P C -0.774 176.517 177.300 -0.016 0.000 1.287 549 P CA -0.801 62.292 63.100 -0.012 0.000 0.792 549 P CB 0.403 32.100 31.700 -0.006 0.000 1.163 550 N N 1.563 120.251 118.700 -0.020 0.000 2.427 550 N HA 0.010 4.754 4.740 0.007 0.000 0.269 550 N C -1.187 174.323 175.510 0.000 0.000 1.235 550 N CA -1.558 51.475 53.050 -0.030 0.000 0.934 550 N CB 0.075 38.541 38.487 -0.036 0.000 1.121 550 N HN 0.193 nan 8.380 nan 0.000 0.480 551 P HA -0.179 nan 4.420 nan 0.000 0.217 551 P C 0.982 178.327 177.300 0.075 0.000 1.148 551 P CA 1.575 64.711 63.100 0.059 0.000 0.828 551 P CB -0.099 31.664 31.700 0.105 0.000 0.783 552 T N -3.243 111.361 114.554 0.084 0.000 3.072 552 T HA 0.016 4.371 4.350 0.007 0.000 0.266 552 T C 1.673 176.418 174.700 0.075 0.000 1.127 552 T CA 0.594 62.757 62.100 0.106 0.000 1.107 552 T CB -0.633 68.304 68.868 0.114 0.000 0.910 552 T HN 0.155 nan 8.240 nan 0.000 0.513 553 K N 0.923 121.347 120.400 0.040 0.000 2.555 553 K HA 0.247 4.571 4.320 0.007 0.000 0.193 553 K C 0.385 177.002 176.600 0.027 0.000 1.032 553 K CA 0.039 56.342 56.287 0.027 0.000 1.004 553 K CB -0.503 32.002 32.500 0.009 0.000 0.804 553 K HN 0.412 nan 8.250 nan 0.000 0.496 554 L N 0.929 122.173 121.223 0.034 0.000 3.762 554 L HA -0.198 4.146 4.340 0.007 0.000 0.460 554 L C -0.587 176.293 176.870 0.016 0.000 1.255 554 L CA -0.187 54.668 54.840 0.026 0.000 0.783 554 L CB -1.886 40.186 42.059 0.022 0.000 1.600 554 L HN -0.103 nan 8.230 nan 0.000 0.862 555 V N 0.716 120.639 119.914 0.015 0.000 2.405 555 V HA 0.208 4.333 4.120 0.007 0.000 0.264 555 V C -1.293 174.806 176.094 0.008 0.000 1.048 555 V CA -1.228 61.078 62.300 0.009 0.000 0.966 555 V CB 0.701 32.527 31.823 0.006 0.000 1.015 555 V HN 0.179 nan 8.190 nan 0.000 0.477 556 P HA -0.066 nan 4.420 nan 0.000 0.259 556 P C 0.812 178.115 177.300 0.005 0.000 1.155 556 P CA 0.106 63.210 63.100 0.005 0.000 0.759 556 P CB 0.422 32.124 31.700 0.003 0.000 0.753 557 R N 4.119 124.622 120.500 0.005 0.000 2.105 557 R HA -0.170 4.175 4.340 0.007 0.000 0.239 557 R C 1.865 178.166 176.300 0.002 0.000 1.135 557 R CA 2.406 58.508 56.100 0.004 0.000 0.967 557 R CB -1.268 29.035 30.300 0.005 0.000 0.861 557 R HN 0.527 nan 8.270 nan 0.000 0.442 558 S N -0.934 114.767 115.700 0.001 0.000 2.474 558 S HA -0.098 4.377 4.470 0.007 0.000 0.235 558 S C 1.653 176.253 174.600 -0.000 0.000 0.997 558 S CA 1.263 59.463 58.200 0.000 0.000 0.949 558 S CB -0.181 63.020 63.200 0.000 0.000 0.766 558 S HN 0.415 nan 8.310 nan 0.000 0.517 559 M N 1.917 121.517 119.600 0.000 0.000 2.356 559 M HA 0.200 4.685 4.480 0.007 0.000 0.262 559 M C -0.080 176.219 176.300 -0.001 0.000 1.097 559 M CA -0.020 55.279 55.300 -0.000 0.000 0.991 559 M CB 0.605 33.205 32.600 0.000 0.000 1.450 559 M HN 0.415 nan 8.290 nan 0.000 0.495 560 T N -2.181 112.372 114.554 -0.001 0.000 2.887 560 T HA 0.591 4.945 4.350 0.007 0.000 0.292 560 T C 0.006 174.704 174.700 -0.004 0.000 1.087 560 T CA -0.883 61.215 62.100 -0.003 0.000 1.009 560 T CB 1.835 70.702 68.868 -0.002 0.000 1.203 560 T HN 0.093 nan 8.240 nan 0.000 0.518 561 S N -0.398 115.299 115.700 -0.006 0.000 2.128 561 S HA 0.458 4.932 4.470 0.007 0.000 0.157 561 S C -0.256 174.337 174.600 -0.011 0.000 1.650 561 S CA -0.790 57.404 58.200 -0.008 0.000 1.269 561 S CB 0.251 63.446 63.200 -0.009 0.000 1.227 561 S HN 0.647 nan 8.310 nan 0.000 0.405 562 E N 2.437 122.631 120.200 -0.011 0.000 4.521 562 E HA 0.617 4.971 4.350 0.007 0.000 0.562 562 E C 1.099 177.686 176.600 -0.022 0.000 1.127 562 E CA 0.614 57.005 56.400 -0.015 0.000 3.733 562 E CB -0.375 29.319 29.700 -0.010 0.000 1.950 562 E HN 1.168 nan 8.360 nan 0.000 0.434 563 A N -0.755 122.047 122.820 -0.030 0.000 2.791 563 A HA -0.156 4.169 4.320 0.007 0.000 0.292 563 A C 0.992 178.547 177.584 -0.048 0.000 1.487 563 A CA 1.058 53.070 52.037 -0.042 0.000 0.760 563 A CB -2.276 16.705 19.000 -0.032 0.000 1.031 563 A HN 0.489 nan 8.150 nan 0.000 0.503 564 G N -1.196 107.574 108.800 -0.050 0.000 3.197 564 G HA2 0.479 4.444 3.960 0.007 0.000 0.167 564 G HA3 0.479 4.444 3.960 0.007 0.000 0.167 564 G C 0.257 175.116 174.900 -0.068 0.000 1.914 564 G CA 0.663 45.736 45.100 -0.045 0.000 0.956 564 G HN 1.005 nan 8.290 nan 0.000 0.480 565 E N -2.219 117.944 120.200 -0.062 0.000 2.380 565 E HA 0.265 4.619 4.350 0.007 0.000 0.281 565 E C -1.429 175.167 176.600 -0.007 0.000 0.999 565 E CA -0.722 55.628 56.400 -0.083 0.000 0.800 565 E CB 1.386 31.062 29.700 -0.039 0.000 1.228 565 E HN 0.376 nan 8.360 nan 0.000 0.436 566 Y N 1.803 122.103 120.300 0.000 0.000 2.895 566 Y HA -0.044 4.510 4.550 0.007 0.000 0.334 566 Y C 0.476 176.343 175.900 -0.054 0.000 1.261 566 Y CA 0.617 58.708 58.100 -0.014 0.000 1.560 566 Y CB 0.464 38.972 38.460 0.080 0.000 1.253 566 Y HN 0.323 nan 8.280 nan 0.000 0.582 567 D N 4.737 125.178 120.400 0.068 0.000 2.318 567 D HA 0.120 4.764 4.640 0.007 0.000 0.233 567 D C -0.401 175.790 176.300 -0.181 0.000 1.348 567 D CA -0.275 53.694 54.000 -0.051 0.000 0.983 567 D CB 0.540 41.328 40.800 -0.020 0.000 1.416 567 D HN 0.536 nan 8.370 nan 0.000 0.558 568 L N 1.959 122.930 121.223 -0.421 0.000 2.612 568 L HA 0.204 4.549 4.340 0.007 0.000 0.230 568 L C 0.448 177.126 176.870 -0.320 0.000 1.140 568 L CA 0.036 54.526 54.840 -0.583 0.000 0.896 568 L CB -0.515 40.838 42.059 -1.177 0.000 1.065 568 L HN 0.101 nan 8.230 nan 0.000 0.447 569 N N 0.977 119.614 118.700 -0.105 0.000 2.497 569 N HA 0.003 4.747 4.740 0.007 0.000 0.268 569 N C -0.091 175.425 175.510 0.010 0.000 1.171 569 N CA -0.134 52.982 53.050 0.110 0.000 0.948 569 N CB 0.318 38.875 38.487 0.117 0.000 1.069 569 N HN 0.053 nan 8.380 nan 0.000 0.460 570 D N 1.245 121.673 120.400 0.047 0.000 2.737 570 D HA -0.232 4.413 4.640 0.007 0.000 0.233 570 D C 1.139 177.186 176.300 -0.422 0.000 1.155 570 D CA 0.670 54.494 54.000 -0.294 0.000 0.667 570 D CB -0.846 39.790 40.800 -0.274 0.000 1.060 570 D HN 0.715 nan 8.370 nan 0.000 0.427 571 M N -1.787 117.711 119.600 -0.170 0.000 2.374 571 M HA -0.168 4.316 4.480 0.007 0.000 0.264 571 M C 2.109 178.321 176.300 -0.146 0.000 1.067 571 M CA 1.078 56.291 55.300 -0.146 0.000 1.103 571 M CB -0.719 31.822 32.600 -0.099 0.000 1.402 571 M HN 0.160 nan 8.290 nan 0.000 0.444 572 Y N 0.502 120.778 120.300 -0.041 0.000 2.651 572 Y HA 0.130 4.684 4.550 0.007 0.000 0.296 572 Y C 1.582 177.470 175.900 -0.021 0.000 1.150 572 Y CA 0.610 58.683 58.100 -0.046 0.000 1.348 572 Y CB -1.042 37.387 38.460 -0.052 0.000 0.983 572 Y HN 0.243 nan 8.280 nan 0.000 0.555 573 K N 0.677 120.776 120.400 -0.500 0.000 2.262 573 K HA 0.106 4.430 4.320 0.007 0.000 0.200 573 K C 1.709 178.230 176.600 -0.131 0.000 1.049 573 K CA 0.555 56.663 56.287 -0.299 0.000 0.979 573 K CB 0.016 32.291 32.500 -0.376 0.000 0.773 573 K HN 0.370 nan 8.250 nan 0.000 0.474 574 R N 1.408 121.833 120.500 -0.125 0.000 2.313 574 R HA 0.040 4.385 4.340 0.007 0.000 0.199 574 R C 0.728 177.017 176.300 -0.017 0.000 0.958 574 R CA 0.100 56.161 56.100 -0.066 0.000 1.047 574 R CB -0.049 30.207 30.300 -0.073 0.000 0.955 574 R HN 0.070 nan 8.270 nan 0.000 0.481 575 S N 0.765 116.474 115.700 0.015 0.000 2.558 575 S HA 0.088 4.562 4.470 0.007 0.000 0.287 575 S C 0.152 174.827 174.600 0.126 0.000 1.321 575 S CA -0.434 57.824 58.200 0.097 0.000 1.048 575 S CB 1.424 64.710 63.200 0.144 0.000 0.844 575 S HN 0.140 nan 8.310 nan 0.000 0.512 576 S N 2.490 118.288 115.700 0.163 0.000 2.537 576 S HA 0.696 5.171 4.470 0.007 0.000 0.270 576 S C -3.129 171.493 174.600 0.037 0.000 1.142 576 S CA -1.350 56.914 58.200 0.108 0.000 0.870 576 S CB 1.857 65.060 63.200 0.004 0.000 1.112 576 S HN 0.723 nan 8.310 nan 0.000 0.466 577 P HA 0.496 nan 4.420 nan 0.000 0.280 577 P C -0.863 176.181 177.300 -0.427 0.000 1.272 577 P CA -0.752 61.905 63.100 -0.737 0.000 0.819 577 P CB 0.742 31.897 31.700 -0.909 0.000 1.122 578 I N -1.428 118.860 120.570 -0.471 0.000 2.404 578 I HA 0.405 4.579 4.170 0.007 0.000 0.293 578 I C 0.211 176.123 176.117 -0.341 0.000 0.992 578 I CA -0.839 60.264 61.300 -0.329 0.000 1.149 578 I CB 1.291 39.102 38.000 -0.314 0.000 1.315 578 I HN 0.112 nan 8.210 nan 0.000 0.446 579 N N 6.334 124.897 118.700 -0.228 0.000 2.526 579 N HA 0.048 4.792 4.740 0.007 0.000 0.302 579 N C -1.355 174.064 175.510 -0.152 0.000 1.232 579 N CA 0.355 53.321 53.050 -0.139 0.000 1.127 579 N CB -0.067 38.409 38.487 -0.018 0.000 1.476 579 N HN 0.523 nan 8.380 nan 0.000 0.498 580 V N 2.269 122.065 119.914 -0.196 0.000 2.623 580 V HA 0.106 4.230 4.120 0.007 0.000 0.304 580 V C -0.430 175.654 176.094 -0.017 0.000 1.054 580 V CA -1.144 61.067 62.300 -0.148 0.000 0.882 580 V CB 2.021 33.641 31.823 -0.339 0.000 1.002 580 V HN 0.342 nan 8.190 nan 0.000 0.424 581 D N 5.619 126.053 120.400 0.057 0.000 2.571 581 D HA 0.095 4.740 4.640 0.007 0.000 0.231 581 D C -2.301 174.100 176.300 0.169 0.000 1.133 581 D CA -0.248 53.810 54.000 0.096 0.000 0.862 581 D CB 0.650 41.511 40.800 0.102 0.000 1.179 581 D HN 0.291 nan 8.370 nan 0.000 0.474 582 P HA 0.277 nan 4.420 nan 0.000 0.268 582 P C 0.126 177.420 177.300 -0.011 0.000 1.205 582 P CA -0.011 63.140 63.100 0.085 0.000 0.771 582 P CB 1.057 32.798 31.700 0.068 0.000 0.858 583 G N 0.971 109.599 108.800 -0.287 0.000 2.726 583 G HA2 0.324 4.288 3.960 0.007 0.000 0.198 583 G HA3 0.324 4.288 3.960 0.007 0.000 0.198 583 G C -1.593 172.980 174.900 -0.544 0.000 1.195 583 G CA -0.193 44.646 45.100 -0.435 0.000 0.951 583 G HN 0.402 nan 8.290 nan 0.000 0.532 584 D N 0.205 120.269 120.400 -0.561 0.000 2.412 584 D HA 0.410 5.055 4.640 0.007 0.000 0.276 584 D C -1.156 175.087 176.300 -0.096 0.000 1.196 584 D CA -0.429 53.460 54.000 -0.185 0.000 0.905 584 D CB -0.071 40.767 40.800 0.063 0.000 1.081 584 D HN 0.290 nan 8.370 nan 0.000 0.502 585 Y N 1.327 121.742 120.300 0.193 0.000 2.299 585 Y HA 0.384 4.939 4.550 0.008 0.000 0.326 585 Y C 1.733 177.828 175.900 0.324 0.000 1.164 585 Y CA -0.936 57.285 58.100 0.201 0.000 1.234 585 Y CB 1.332 39.841 38.460 0.082 0.000 1.219 585 Y HN 0.027 nan 8.280 nan 0.000 0.497 586 R N 1.679 122.493 120.500 0.525 0.000 2.469 586 R HA 0.298 4.643 4.340 0.007 0.000 0.250 586 R C -0.531 175.960 176.300 0.318 0.000 0.909 586 R CA 0.097 56.466 56.100 0.448 0.000 1.050 586 R CB 0.864 31.350 30.300 0.310 0.000 1.256 586 R HN 0.810 nan 8.270 nan 0.000 0.550 587 M N 0.226 119.984 119.600 0.263 0.000 2.471 587 M HA 0.458 4.943 4.480 0.007 0.000 0.284 587 M C -2.014 174.331 176.300 0.075 0.000 1.203 587 M CA -0.686 54.695 55.300 0.136 0.000 0.915 587 M CB 2.762 35.420 32.600 0.098 0.000 1.734 587 M HN -0.002 nan 8.290 nan 0.000 0.485 588 I N 4.864 125.437 120.570 0.005 0.000 2.534 588 I HA 0.546 4.721 4.170 0.007 0.000 0.288 588 I C -1.879 174.197 176.117 -0.068 0.000 1.077 588 I CA -0.716 60.547 61.300 -0.062 0.000 1.051 588 I CB 1.550 39.487 38.000 -0.105 0.000 1.234 588 I HN 0.736 nan 8.210 nan 0.000 0.425 589 I N 9.550 130.065 120.570 -0.091 0.000 2.420 589 I HA 0.387 4.562 4.170 0.007 0.000 0.282 589 I C -2.422 173.584 176.117 -0.186 0.000 1.019 589 I CA -1.842 59.401 61.300 -0.096 0.000 1.130 589 I CB 1.874 39.858 38.000 -0.025 0.000 1.262 589 I HN 0.335 nan 8.210 nan 0.000 0.454 590 P HA 0.317 nan 4.420 nan 0.000 0.282 590 P C -0.835 176.357 177.300 -0.179 0.000 1.262 590 P CA -0.013 62.828 63.100 -0.432 0.000 0.773 590 P CB 1.495 32.707 31.700 -0.814 0.000 0.879 591 L N 1.865 123.016 121.223 -0.120 0.000 2.267 591 L HA 0.353 4.698 4.340 0.007 0.000 0.264 591 L C 2.267 179.128 176.870 -0.015 0.000 1.021 591 L CA -0.812 54.004 54.840 -0.040 0.000 0.861 591 L CB 0.790 42.838 42.059 -0.018 0.000 1.443 591 L HN 0.324 nan 8.230 nan 0.000 0.475 592 E N 0.435 120.639 120.200 0.008 0.000 2.021 592 E HA -0.230 4.124 4.350 0.007 0.000 0.200 592 E C 0.971 177.584 176.600 0.022 0.000 1.015 592 E CA 2.213 58.625 56.400 0.020 0.000 0.824 592 E CB 0.122 29.834 29.700 0.021 0.000 0.762 592 E HN 0.631 nan 8.360 nan 0.000 0.454 593 S N -0.837 114.872 115.700 0.015 0.000 2.855 593 S HA 0.262 4.736 4.470 0.007 0.000 0.249 593 S C -0.244 174.361 174.600 0.009 0.000 1.033 593 S CA -0.164 58.045 58.200 0.014 0.000 1.038 593 S CB 0.729 63.931 63.200 0.004 0.000 0.960 593 S HN 0.273 nan 8.310 nan 0.000 0.548 594 S N 0.580 116.289 115.700 0.015 0.000 2.656 594 S HA 0.812 5.286 4.470 0.007 0.000 0.273 594 S C -1.365 173.250 174.600 0.023 0.000 1.168 594 S CA -0.982 57.236 58.200 0.031 0.000 0.817 594 S CB 0.909 64.115 63.200 0.009 0.000 1.146 594 S HN 0.295 nan 8.310 nan 0.000 0.475 595 I N 1.058 121.662 120.570 0.057 0.000 2.569 595 I HA 0.381 4.555 4.170 0.007 0.000 0.290 595 I C -1.181 174.928 176.117 -0.013 0.000 1.088 595 I CA -0.778 60.503 61.300 -0.032 0.000 1.047 595 I CB 1.910 39.861 38.000 -0.081 0.000 1.237 595 I HN 0.524 nan 8.210 nan 0.000 0.421 596 L N 6.557 127.758 121.223 -0.037 0.000 2.312 596 L HA 0.599 4.943 4.340 0.007 0.000 0.281 596 L C -0.536 176.317 176.870 -0.029 0.000 1.070 596 L CA -0.504 54.334 54.840 -0.003 0.000 0.805 596 L CB 1.377 43.456 42.059 0.033 0.000 1.174 596 L HN 0.423 nan 8.230 nan 0.000 0.434 597 I N 2.306 122.860 120.570 -0.027 0.000 2.582 597 I HA 0.221 4.395 4.170 0.007 0.000 0.292 597 I C -1.231 174.921 176.117 0.059 0.000 1.066 597 I CA -0.701 60.563 61.300 -0.059 0.000 1.053 597 I CB 2.459 40.284 38.000 -0.292 0.000 1.241 597 I HN 0.437 nan 8.210 nan 0.000 0.421 598 Y N 5.525 125.856 120.300 0.051 0.000 2.404 598 Y HA 0.360 4.914 4.550 0.007 0.000 0.344 598 Y C 0.396 176.435 175.900 0.231 0.000 0.970 598 Y CA 0.087 58.263 58.100 0.128 0.000 1.180 598 Y CB 1.164 39.703 38.460 0.132 0.000 1.138 598 Y HN 0.571 nan 8.280 nan 0.000 0.510 599 S N 4.769 120.461 115.700 -0.013 0.000 2.565 599 S HA 0.728 5.202 4.470 0.007 0.000 0.290 599 S C -1.426 173.176 174.600 0.003 0.000 1.150 599 S CA -0.582 57.718 58.200 0.166 0.000 1.058 599 S CB 1.080 64.397 63.200 0.194 0.000 1.032 599 S HN 0.445 nan 8.310 nan 0.000 0.510 600 V N 5.751 125.730 119.914 0.108 0.000 2.340 600 V HA 0.394 4.518 4.120 0.007 0.000 0.277 600 V C -2.446 173.689 176.094 0.068 0.000 1.017 600 V CA -1.748 60.602 62.300 0.082 0.000 0.820 600 V CB 0.836 32.766 31.823 0.179 0.000 1.028 600 V HN 0.767 nan 8.190 nan 0.000 0.436 601 P HA 0.051 nan 4.420 nan 0.000 0.265 601 P C 0.102 177.484 177.300 0.136 0.000 1.187 601 P CA 0.187 63.319 63.100 0.055 0.000 0.766 601 P CB 0.515 32.228 31.700 0.022 0.000 0.820 602 V N 5.183 125.188 119.914 0.152 0.000 2.788 602 V HA 0.081 4.205 4.120 0.007 0.000 0.307 602 V C 0.719 176.979 176.094 0.277 0.000 1.069 602 V CA 0.948 63.372 62.300 0.207 0.000 1.173 602 V CB -0.611 31.274 31.823 0.103 0.000 0.925 602 V HN 0.805 nan 8.190 nan 0.000 0.492 603 H N 1.840 120.938 119.070 0.047 0.000 3.003 603 H HA 0.511 5.071 4.556 0.008 0.000 0.327 603 H C -0.098 175.266 175.328 0.060 0.000 1.353 603 H CA -0.488 55.590 56.048 0.051 0.000 1.142 603 H CB 1.206 31.003 29.762 0.059 0.000 1.864 603 H HN 0.733 nan 8.280 nan 0.000 0.529 604 G N -0.460 108.319 108.800 -0.034 0.000 2.684 604 G HA2 0.246 4.210 3.960 0.007 0.000 0.255 604 G HA3 0.246 4.210 3.960 0.007 0.000 0.255 604 G C 0.114 174.947 174.900 -0.112 0.000 1.219 604 G CA -0.366 44.700 45.100 -0.056 0.000 0.901 604 G HN 0.688 nan 8.290 nan 0.000 0.548 605 E N -0.117 120.080 120.200 -0.005 0.000 2.603 605 E HA 0.091 4.446 4.350 0.007 0.000 0.211 605 E C 1.025 177.730 176.600 0.175 0.000 0.995 605 E CA -0.483 55.941 56.400 0.040 0.000 0.990 605 E CB 0.290 29.984 29.700 -0.010 0.000 1.036 605 E HN 0.469 nan 8.360 nan 0.000 0.475 606 F N 2.332 122.348 119.950 0.110 0.000 2.026 606 F HA -0.252 4.279 4.527 0.007 0.000 0.296 606 F C 2.311 178.285 175.800 0.290 0.000 1.133 606 F CA 2.172 60.308 58.000 0.226 0.000 1.188 606 F CB -0.335 38.745 39.000 0.133 0.000 0.968 606 F HN 0.041 nan 8.300 nan 0.000 0.476 607 A N 0.261 123.417 122.820 0.559 0.000 1.917 607 A HA -0.179 4.145 4.320 0.007 0.000 0.219 607 A C 2.355 180.078 177.584 0.232 0.000 1.182 607 A CA 2.242 54.515 52.037 0.393 0.000 0.633 607 A CB -1.670 17.498 19.000 0.281 0.000 0.819 607 A HN 0.580 nan 8.150 nan 0.000 0.448 608 A N -2.080 120.860 122.820 0.200 0.000 1.930 608 A HA -0.053 4.272 4.320 0.007 0.000 0.217 608 A C 2.138 179.754 177.584 0.053 0.000 1.175 608 A CA 1.576 53.692 52.037 0.132 0.000 0.627 608 A CB -0.659 18.434 19.000 0.154 0.000 0.815 608 A HN 0.711 nan 8.150 nan 0.000 0.443 609 Y N -1.419 118.808 120.300 -0.122 0.000 2.243 609 Y HA -0.125 4.429 4.550 0.007 0.000 0.293 609 Y C 1.935 177.541 175.900 -0.489 0.000 1.124 609 Y CA 1.845 59.740 58.100 -0.343 0.000 1.159 609 Y CB -0.091 38.061 38.460 -0.513 0.000 1.008 609 Y HN 0.377 nan 8.280 nan 0.000 0.527 610 Y N -1.024 119.200 120.300 -0.126 0.000 2.396 610 Y HA 0.055 4.609 4.550 0.007 0.000 0.292 610 Y C 1.958 177.797 175.900 -0.100 0.000 1.128 610 Y CA 0.679 58.669 58.100 -0.182 0.000 1.194 610 Y CB -0.084 38.227 38.460 -0.247 0.000 1.124 610 Y HN -0.008 nan 8.280 nan 0.000 0.543 611 Q N -0.277 119.600 119.800 0.129 0.000 2.319 611 Q HA 0.216 4.560 4.340 0.007 0.000 0.202 611 Q C 1.447 177.478 176.000 0.052 0.000 0.896 611 Q CA 0.444 56.304 55.803 0.095 0.000 0.942 611 Q CB 0.644 29.462 28.738 0.134 0.000 1.083 611 Q HN 0.549 nan 8.270 nan 0.000 0.510 612 G N 1.410 110.221 108.800 0.018 0.000 2.200 612 G HA2 -0.380 3.585 3.960 0.007 0.000 0.267 612 G HA3 -0.380 3.585 3.960 0.007 0.000 0.267 612 G C 0.376 175.307 174.900 0.052 0.000 0.993 612 G CA 0.171 45.278 45.100 0.011 0.000 0.701 612 G HN 0.593 nan 8.290 nan 0.000 0.524 613 A N 1.122 123.991 122.820 0.081 0.000 2.580 613 A HA 0.478 4.802 4.320 0.007 0.000 0.244 613 A C -0.300 177.344 177.584 0.101 0.000 1.045 613 A CA 0.255 52.349 52.037 0.096 0.000 0.761 613 A CB 0.142 19.216 19.000 0.123 0.000 0.962 613 A HN 0.480 nan 8.150 nan 0.000 0.512 614 P HA 0.090 nan 4.420 nan 0.000 0.269 614 P C -0.264 177.095 177.300 0.099 0.000 1.215 614 P CA -0.149 63.008 63.100 0.096 0.000 0.780 614 P CB 0.635 32.390 31.700 0.092 0.000 0.898 615 E N 1.155 121.417 120.200 0.103 0.000 2.331 615 E HA 0.135 4.489 4.350 0.007 0.000 0.272 615 E C -0.316 176.300 176.600 0.028 0.000 1.036 615 E CA -0.561 55.874 56.400 0.058 0.000 0.864 615 E CB 0.569 30.340 29.700 0.118 0.000 1.035 615 E HN 0.258 nan 8.360 nan 0.000 0.408 616 K N 2.098 122.441 120.400 -0.094 0.000 2.240 616 K HA 0.419 4.743 4.320 0.007 0.000 0.271 616 K C -0.142 176.440 176.600 -0.031 0.000 1.018 616 K CA -0.573 55.692 56.287 -0.038 0.000 0.874 616 K CB 1.820 34.277 32.500 -0.072 0.000 1.098 616 K HN 0.539 nan 8.250 nan 0.000 0.458 617 G N 0.733 109.550 108.800 0.028 0.000 3.013 617 G HA2 0.676 4.641 3.960 0.007 0.000 0.278 617 G HA3 0.676 4.641 3.960 0.007 0.000 0.278 617 G C -1.450 173.257 174.900 -0.323 0.000 1.353 617 G CA -0.579 44.410 45.100 -0.184 0.000 1.043 617 G HN 0.385 nan 8.290 nan 0.000 0.523 618 V N -0.353 119.222 119.914 -0.564 0.000 2.852 618 V HA 0.506 4.630 4.120 0.007 0.000 0.300 618 V C -1.549 174.326 176.094 -0.366 0.000 1.205 618 V CA -0.810 61.291 62.300 -0.332 0.000 0.940 618 V CB 1.847 33.571 31.823 -0.164 0.000 1.047 618 V HN 0.808 nan 8.190 nan 0.000 0.429 619 L N 7.363 128.478 121.223 -0.181 0.000 2.315 619 L HA 0.550 4.894 4.340 0.007 0.000 0.283 619 L C -0.606 176.252 176.870 -0.020 0.000 1.089 619 L CA 0.665 55.480 54.840 -0.042 0.000 0.833 619 L CB 0.363 42.486 42.059 0.106 0.000 1.170 619 L HN 0.633 nan 8.230 nan 0.000 0.442 620 L N 5.012 126.228 121.223 -0.012 0.000 2.334 620 L HA 0.587 4.932 4.340 0.007 0.000 0.272 620 L C -0.237 176.643 176.870 0.017 0.000 1.020 620 L CA -0.826 54.013 54.840 -0.001 0.000 0.812 620 L CB 1.665 43.721 42.059 -0.004 0.000 1.264 620 L HN 0.559 nan 8.230 nan 0.000 0.439 621 K N 1.462 121.878 120.400 0.026 0.000 2.397 621 K HA 0.365 4.689 4.320 0.007 0.000 0.253 621 K C -1.906 174.738 176.600 0.073 0.000 0.932 621 K CA -0.590 55.722 56.287 0.041 0.000 0.795 621 K CB 1.809 34.324 32.500 0.025 0.000 1.159 621 K HN 0.473 nan 8.250 nan 0.000 0.424 622 Y N 3.503 123.768 120.300 -0.059 0.000 2.328 622 Y HA 0.255 4.809 4.550 0.007 0.000 0.333 622 Y C -1.042 174.830 175.900 -0.046 0.000 0.958 622 Y CA -0.851 57.214 58.100 -0.058 0.000 1.167 622 Y CB 1.328 39.737 38.460 -0.084 0.000 1.151 622 Y HN 0.626 nan 8.280 nan 0.000 0.470 623 D N 6.038 126.170 120.400 -0.447 0.000 2.316 623 D HA 0.088 4.733 4.640 0.007 0.000 0.245 623 D C 1.338 177.306 176.300 -0.554 0.000 1.171 623 D CA 0.110 53.905 54.000 -0.341 0.000 0.856 623 D CB 1.705 42.367 40.800 -0.231 0.000 1.090 623 D HN 0.672 nan 8.370 nan 0.000 0.476 624 V N 3.434 123.215 119.914 -0.222 0.000 2.324 624 V HA -0.212 3.913 4.120 0.007 0.000 0.250 624 V C 2.115 178.144 176.094 -0.109 0.000 1.060 624 V CA 1.018 63.281 62.300 -0.061 0.000 1.042 624 V CB -0.495 31.381 31.823 0.089 0.000 0.650 624 V HN 0.349 nan 8.190 nan 0.000 0.450 625 K N 1.308 121.644 120.400 -0.106 0.000 1.973 625 K HA -0.100 4.224 4.320 0.007 0.000 0.210 625 K C 2.545 179.080 176.600 -0.108 0.000 1.045 625 K CA 2.415 58.655 56.287 -0.078 0.000 0.937 625 K CB -1.121 31.344 32.500 -0.058 0.000 0.721 625 K HN 0.788 nan 8.250 nan 0.000 0.438 626 T N -1.669 112.794 114.554 -0.151 0.000 3.055 626 T HA 0.019 4.374 4.350 0.007 0.000 0.265 626 T C 0.831 175.414 174.700 -0.194 0.000 1.111 626 T CA 0.199 62.212 62.100 -0.143 0.000 1.118 626 T CB -0.010 68.781 68.868 -0.129 0.000 0.909 626 T HN 0.252 nan 8.240 nan 0.000 0.501 627 R N 0.283 120.571 120.500 -0.353 0.000 3.863 627 R HA -0.139 4.206 4.340 0.007 0.000 0.313 627 R C -0.039 176.065 176.300 -0.325 0.000 1.202 627 R CA 1.002 56.833 56.100 -0.447 0.000 0.852 627 R CB -1.463 28.778 30.300 -0.099 0.000 1.292 627 R HN 0.612 nan 8.270 nan 0.000 0.519 628 K N 0.960 121.171 120.400 -0.314 0.000 2.123 628 K HA 0.441 4.766 4.320 0.007 0.000 0.259 628 K C -0.223 176.294 176.600 -0.138 0.000 0.960 628 K CA -0.524 55.671 56.287 -0.154 0.000 0.872 628 K CB 1.554 33.990 32.500 -0.105 0.000 1.079 628 K HN -0.079 nan 8.250 nan 0.000 0.440 629 V N 2.248 122.147 119.914 -0.024 0.000 2.732 629 V HA 0.466 4.590 4.120 0.007 0.000 0.310 629 V C -0.046 176.049 176.094 0.002 0.000 1.053 629 V CA -0.502 61.811 62.300 0.022 0.000 0.957 629 V CB 1.693 33.565 31.823 0.081 0.000 1.018 629 V HN 1.101 nan 8.190 nan 0.000 0.452 630 T N -0.092 114.464 114.554 0.004 0.000 2.816 630 T HA 0.572 4.926 4.350 0.007 0.000 0.299 630 T C -0.981 173.716 174.700 -0.005 0.000 1.230 630 T CA -0.804 61.292 62.100 -0.006 0.000 1.007 630 T CB 2.062 70.920 68.868 -0.017 0.000 1.289 630 T HN 0.628 nan 8.240 nan 0.000 0.508 631 E N 0.064 120.254 120.200 -0.016 0.000 2.156 631 E HA 0.531 4.886 4.350 0.007 0.000 0.279 631 E C 0.026 176.605 176.600 -0.034 0.000 0.965 631 E CA -0.740 55.644 56.400 -0.026 0.000 0.789 631 E CB 1.457 31.135 29.700 -0.035 0.000 1.098 631 E HN 0.478 nan 8.360 nan 0.000 0.397 632 V N 3.714 123.611 119.914 -0.029 0.000 2.795 632 V HA 0.159 4.283 4.120 0.007 0.000 0.243 632 V C 0.150 176.185 176.094 -0.099 0.000 1.069 632 V CA 0.591 62.871 62.300 -0.033 0.000 1.089 632 V CB 0.271 32.117 31.823 0.037 0.000 0.756 632 V HN 0.514 nan 8.190 nan 0.000 0.471 633 K N 0.912 121.263 120.400 -0.083 0.000 2.569 633 K HA 0.395 4.719 4.320 0.007 0.000 0.259 633 K C -1.106 175.437 176.600 -0.094 0.000 0.932 633 K CA -0.372 55.834 56.287 -0.135 0.000 0.833 633 K CB 1.539 33.951 32.500 -0.147 0.000 1.340 633 K HN 0.330 nan 8.250 nan 0.000 0.429 634 N N 0.927 119.561 118.700 -0.109 0.000 2.906 634 N HA 0.439 5.184 4.740 0.007 0.000 0.327 634 N C -0.827 174.637 175.510 -0.076 0.000 1.344 634 N CA -0.526 52.470 53.050 -0.089 0.000 0.823 634 N CB 0.168 38.606 38.487 -0.080 0.000 1.351 634 N HN 0.646 nan 8.380 nan 0.000 0.604 635 N N -1.948 116.718 118.700 -0.057 0.000 2.708 635 N HA -0.179 4.566 4.740 0.007 0.000 0.249 635 N C -1.157 174.358 175.510 0.008 0.000 1.097 635 N CA 0.227 53.259 53.050 -0.031 0.000 0.710 635 N CB -1.256 37.202 38.487 -0.049 0.000 1.032 635 N HN 0.388 nan 8.380 nan 0.000 0.551 636 L N 0.236 121.481 121.223 0.037 0.000 2.350 636 L HA 0.268 4.613 4.340 0.007 0.000 0.275 636 L C 1.703 178.697 176.870 0.206 0.000 1.099 636 L CA 0.111 55.038 54.840 0.144 0.000 0.808 636 L CB 1.133 43.329 42.059 0.229 0.000 1.149 636 L HN 0.238 nan 8.230 nan 0.000 0.442 637 T N -3.504 111.180 114.554 0.217 0.000 3.043 637 T HA 0.234 4.588 4.350 0.007 0.000 0.272 637 T C -0.095 174.737 174.700 0.220 0.000 0.990 637 T CA -0.283 61.940 62.100 0.204 0.000 0.897 637 T CB 0.312 69.264 68.868 0.140 0.000 1.111 637 T HN 0.541 nan 8.240 nan 0.000 0.529 638 D N -0.276 120.276 120.400 0.253 0.000 2.751 638 D HA 0.439 5.083 4.640 0.007 0.000 0.236 638 D C -2.064 174.393 176.300 0.261 0.000 1.196 638 D CA -0.531 53.596 54.000 0.211 0.000 0.741 638 D CB 1.773 42.761 40.800 0.312 0.000 1.474 638 D HN 0.284 nan 8.370 nan 0.000 0.452 639 L N 1.882 123.195 121.223 0.150 0.000 2.472 639 L HA 0.751 5.096 4.340 0.007 0.000 0.260 639 L C -1.441 175.504 176.870 0.124 0.000 0.963 639 L CA -0.564 54.392 54.840 0.193 0.000 0.829 639 L CB 1.655 43.829 42.059 0.192 0.000 1.348 639 L HN 0.319 nan 8.230 nan 0.000 0.408 640 R N 3.243 123.842 120.500 0.165 0.000 2.795 640 R HA 0.700 5.045 4.340 0.007 0.000 0.275 640 R C -1.814 174.522 176.300 0.060 0.000 0.981 640 R CA -0.828 55.320 56.100 0.079 0.000 0.917 640 R CB 2.233 32.583 30.300 0.083 0.000 1.202 640 R HN 0.573 nan 8.270 nan 0.000 0.469 641 L N -0.024 121.217 121.223 0.030 0.000 2.408 641 L HA 0.445 4.789 4.340 0.007 0.000 0.268 641 L C 0.177 177.061 176.870 0.023 0.000 0.986 641 L CA -0.195 54.654 54.840 0.016 0.000 0.820 641 L CB 2.123 44.193 42.059 0.017 0.000 1.303 641 L HN 0.722 nan 8.230 nan 0.000 0.411 642 S N 2.624 118.335 115.700 0.018 0.000 2.580 642 S HA 0.304 4.778 4.470 0.007 0.000 0.261 642 S C 1.379 176.001 174.600 0.036 0.000 1.366 642 S CA 0.485 58.704 58.200 0.031 0.000 0.996 642 S CB 0.913 64.127 63.200 0.024 0.000 0.902 642 S HN 0.928 nan 8.310 nan 0.000 0.566 643 A N 1.561 124.407 122.820 0.043 0.000 1.970 643 A HA 0.004 4.328 4.320 0.007 0.000 0.216 643 A C 1.527 179.137 177.584 0.044 0.000 1.170 643 A CA 1.439 53.503 52.037 0.045 0.000 0.645 643 A CB -0.694 18.332 19.000 0.042 0.000 0.816 643 A HN 0.941 nan 8.150 nan 0.000 0.447 644 D N -1.581 118.842 120.400 0.038 0.000 2.349 644 D HA -0.053 4.592 4.640 0.007 0.000 0.224 644 D C 0.786 177.106 176.300 0.033 0.000 1.029 644 D CA 0.150 54.172 54.000 0.036 0.000 0.879 644 D CB -0.504 40.316 40.800 0.033 0.000 0.906 644 D HN 0.420 nan 8.370 nan 0.000 0.528 645 R N -0.834 119.684 120.500 0.030 0.000 3.953 645 R HA -0.211 4.133 4.340 0.007 0.000 0.340 645 R C 0.616 176.924 176.300 0.015 0.000 1.195 645 R CA 1.264 57.377 56.100 0.023 0.000 0.929 645 R CB -1.822 28.495 30.300 0.028 0.000 1.402 645 R HN 0.345 nan 8.270 nan 0.000 0.540 646 K N -0.429 119.978 120.400 0.013 0.000 2.370 646 K HA 0.099 4.423 4.320 0.007 0.000 0.194 646 K C 0.280 176.874 176.600 -0.010 0.000 1.070 646 K CA 0.733 57.026 56.287 0.011 0.000 0.998 646 K CB 0.836 33.349 32.500 0.021 0.000 0.911 646 K HN 0.022 nan 8.250 nan 0.000 0.533 647 T N 1.559 116.098 114.554 -0.025 0.000 2.797 647 T HA 0.400 4.754 4.350 0.007 0.000 0.279 647 T C -0.590 174.033 174.700 -0.130 0.000 0.991 647 T CA -0.620 61.441 62.100 -0.064 0.000 0.979 647 T CB 2.335 71.190 68.868 -0.020 0.000 0.943 647 T HN -0.266 nan 8.240 nan 0.000 0.444 648 V N 4.054 123.783 119.914 -0.309 0.000 2.495 648 V HA 0.588 4.713 4.120 0.007 0.000 0.298 648 V C -0.255 175.613 176.094 -0.377 0.000 1.031 648 V CA -0.869 61.178 62.300 -0.422 0.000 0.871 648 V CB 1.766 33.093 31.823 -0.826 0.000 0.988 648 V HN 0.890 nan 8.190 nan 0.000 0.432 649 M N 6.036 125.577 119.600 -0.099 0.000 2.393 649 M HA 0.827 5.312 4.480 0.007 0.000 0.316 649 M C -1.270 175.141 176.300 0.184 0.000 1.087 649 M CA -0.506 54.836 55.300 0.070 0.000 0.937 649 M CB 1.819 34.550 32.600 0.220 0.000 1.668 649 M HN 0.681 nan 8.290 nan 0.000 0.438 650 V N 1.460 121.481 119.914 0.178 0.000 3.216 650 V HA 0.754 4.878 4.120 0.007 0.000 0.302 650 V C -1.664 174.482 176.094 0.086 0.000 1.286 650 V CA -1.052 61.382 62.300 0.223 0.000 1.048 650 V CB 2.141 34.155 31.823 0.318 0.000 1.081 650 V HN 1.015 nan 8.190 nan 0.000 0.442 651 R N 1.291 121.851 120.500 0.099 0.000 2.534 651 R HA 0.687 5.031 4.340 0.007 0.000 0.301 651 R C -0.545 175.841 176.300 0.143 0.000 0.961 651 R CA -0.568 55.558 56.100 0.043 0.000 0.871 651 R CB 1.978 32.254 30.300 -0.040 0.000 1.170 651 R HN 0.927 nan 8.270 nan 0.000 0.446 652 K N 1.635 122.134 120.400 0.165 0.000 2.210 652 K HA 0.141 4.466 4.320 0.007 0.000 0.236 652 K C 0.098 176.753 176.600 0.092 0.000 1.016 652 K CA -0.640 55.711 56.287 0.108 0.000 0.913 652 K CB 0.972 33.495 32.500 0.039 0.000 1.141 652 K HN 0.718 nan 8.250 nan 0.000 0.462 653 D N -0.036 120.401 120.400 0.061 0.000 2.403 653 D HA -0.178 4.467 4.640 0.007 0.000 0.227 653 D C 0.626 176.956 176.300 0.051 0.000 0.995 653 D CA 0.823 54.854 54.000 0.053 0.000 0.928 653 D CB -0.127 40.694 40.800 0.034 0.000 0.887 653 D HN 0.522 nan 8.370 nan 0.000 0.529 654 D N -1.376 119.063 120.400 0.066 0.000 2.340 654 D HA 0.140 4.784 4.640 0.007 0.000 0.217 654 D C 1.742 178.071 176.300 0.049 0.000 1.081 654 D CA 0.364 54.400 54.000 0.060 0.000 0.842 654 D CB -0.131 40.718 40.800 0.081 0.000 0.934 654 D HN 0.290 nan 8.370 nan 0.000 0.511 655 G N 0.672 109.502 108.800 0.049 0.000 2.304 655 G HA2 -0.333 3.632 3.960 0.007 0.000 0.252 655 G HA3 -0.333 3.632 3.960 0.007 0.000 0.252 655 G C 0.412 175.297 174.900 -0.026 0.000 1.014 655 G CA 0.414 45.522 45.100 0.014 0.000 0.619 655 G HN 0.470 nan 8.290 nan 0.000 0.525 656 K N 0.197 120.593 120.400 -0.006 0.000 2.180 656 K HA 0.603 4.927 4.320 0.007 0.000 0.251 656 K C 0.315 176.807 176.600 -0.181 0.000 1.014 656 K CA -0.108 56.089 56.287 -0.150 0.000 0.913 656 K CB 0.847 33.194 32.500 -0.255 0.000 1.008 656 K HN 0.296 nan 8.250 nan 0.000 0.490 657 I N 1.830 122.153 120.570 -0.411 0.000 2.441 657 I HA 0.299 4.474 4.170 0.007 0.000 0.295 657 I C -0.877 174.981 176.117 -0.432 0.000 0.994 657 I CA -0.816 60.263 61.300 -0.367 0.000 1.144 657 I CB 0.894 38.593 38.000 -0.502 0.000 1.314 657 I HN 0.439 nan 8.210 nan 0.000 0.445 658 Y N 2.349 122.601 120.300 -0.079 0.000 2.633 658 Y HA 0.642 5.196 4.550 0.007 0.000 0.339 658 Y C 0.169 176.115 175.900 0.078 0.000 1.045 658 Y CA -0.985 57.133 58.100 0.032 0.000 1.098 658 Y CB 2.110 40.633 38.460 0.105 0.000 1.296 658 Y HN 0.349 nan 8.280 nan 0.000 0.494 659 T N 2.128 116.872 114.554 0.317 0.000 2.993 659 T HA 0.707 5.062 4.350 0.007 0.000 0.312 659 T C -1.964 172.899 174.700 0.270 0.000 1.115 659 T CA -0.578 61.624 62.100 0.170 0.000 1.027 659 T CB 0.243 69.158 68.868 0.078 0.000 1.116 659 T HN 0.510 nan 8.240 nan 0.000 0.464 660 F N 2.177 122.180 119.950 0.089 0.000 2.654 660 F HA 0.812 5.343 4.527 0.007 0.000 0.308 660 F C -3.294 172.542 175.800 0.060 0.000 1.108 660 F CA -2.777 55.264 58.000 0.067 0.000 0.957 660 F CB 0.388 39.421 39.000 0.055 0.000 1.309 660 F HN 0.254 nan 8.300 nan 0.000 0.446 661 P HA 0.128 nan 4.420 nan 0.000 0.271 661 P C 0.601 177.996 177.300 0.159 0.000 1.216 661 P CA -0.271 62.885 63.100 0.093 0.000 0.771 661 P CB 1.048 32.810 31.700 0.103 0.000 0.864 662 L N 4.484 125.749 121.223 0.070 0.000 2.131 662 L HA -0.179 4.166 4.340 0.007 0.000 0.210 662 L C 1.938 178.884 176.870 0.126 0.000 1.092 662 L CA 1.841 56.749 54.840 0.113 0.000 0.759 662 L CB -1.148 40.940 42.059 0.048 0.000 0.903 662 L HN 0.460 nan 8.230 nan 0.000 0.435 663 E N -1.206 119.048 120.200 0.091 0.000 2.106 663 E HA -0.142 4.213 4.350 0.007 0.000 0.192 663 E C 0.255 176.902 176.600 0.079 0.000 0.984 663 E CA 0.846 57.289 56.400 0.071 0.000 0.806 663 E CB -0.158 29.573 29.700 0.052 0.000 0.750 663 E HN 0.170 nan 8.360 nan 0.000 0.458 664 K N 1.372 121.834 120.400 0.104 0.000 2.762 664 K HA 0.194 4.519 4.320 0.007 0.000 0.180 664 K C -2.123 174.561 176.600 0.140 0.000 1.067 664 K CA -2.056 54.287 56.287 0.092 0.000 0.973 664 K CB 1.564 34.107 32.500 0.072 0.000 1.290 664 K HN 0.072 nan 8.250 nan 0.000 0.604 665 P HA -0.165 nan 4.420 nan 0.000 0.231 665 P C 0.875 178.081 177.300 -0.158 0.000 1.158 665 P CA 0.931 64.093 63.100 0.104 0.000 0.763 665 P CB 0.498 32.211 31.700 0.022 0.000 0.805 666 E N 0.273 120.438 120.200 -0.059 0.000 2.285 666 E HA -0.074 4.281 4.350 0.007 0.000 0.194 666 E C 0.134 176.714 176.600 -0.035 0.000 0.997 666 E CA 0.287 56.638 56.400 -0.081 0.000 0.845 666 E CB -0.090 29.584 29.700 -0.043 0.000 0.782 666 E HN 0.115 nan 8.360 nan 0.000 0.491 667 D N 2.564 122.986 120.400 0.036 0.000 2.631 667 D HA 0.028 4.672 4.640 0.007 0.000 0.227 667 D C -0.637 175.749 176.300 0.145 0.000 1.146 667 D CA 0.127 54.173 54.000 0.076 0.000 1.009 667 D CB 0.099 40.949 40.800 0.083 0.000 1.057 667 D HN 0.392 nan 8.370 nan 0.000 0.509 668 E N 0.048 120.324 120.200 0.126 0.000 2.214 668 E HA 0.666 5.020 4.350 0.007 0.000 0.274 668 E C -0.293 176.426 176.600 0.199 0.000 0.977 668 E CA -0.918 55.623 56.400 0.234 0.000 0.827 668 E CB 1.820 31.646 29.700 0.210 0.000 1.130 668 E HN -0.061 nan 8.360 nan 0.000 0.394 669 R N 0.576 121.204 120.500 0.212 0.000 2.873 669 R HA 0.459 4.803 4.340 0.007 0.000 0.264 669 R C -0.749 175.623 176.300 0.120 0.000 1.026 669 R CA -0.745 55.439 56.100 0.140 0.000 1.002 669 R CB 1.974 32.324 30.300 0.084 0.000 1.174 669 R HN 0.503 nan 8.270 nan 0.000 0.488 670 T N 0.848 115.395 114.554 -0.012 0.000 2.799 670 T HA 0.268 4.622 4.350 0.007 0.000 0.286 670 T C -0.322 174.259 174.700 -0.199 0.000 0.973 670 T CA -0.625 61.324 62.100 -0.251 0.000 1.035 670 T CB 1.126 69.819 68.868 -0.293 0.000 0.932 670 T HN 0.129 nan 8.240 nan 0.000 0.469 671 V N 4.770 124.529 119.914 -0.260 0.000 2.372 671 V HA 0.189 4.314 4.120 0.007 0.000 0.261 671 V C 0.485 176.443 176.094 -0.227 0.000 1.055 671 V CA -0.412 61.774 62.300 -0.191 0.000 0.930 671 V CB 0.258 31.968 31.823 -0.188 0.000 1.031 671 V HN 0.751 nan 8.190 nan 0.000 0.479 672 E N 3.174 123.270 120.200 -0.173 0.000 2.231 672 E HA 0.431 4.786 4.350 0.007 0.000 0.277 672 E C 0.761 177.242 176.600 -0.198 0.000 0.999 672 E CA 0.027 56.319 56.400 -0.179 0.000 0.827 672 E CB 2.083 31.706 29.700 -0.129 0.000 1.101 672 E HN 0.808 nan 8.360 nan 0.000 0.393 673 T N -2.442 111.967 114.554 -0.241 0.000 3.009 673 T HA 0.073 4.427 4.350 0.007 0.000 0.267 673 T C 0.363 174.949 174.700 -0.189 0.000 0.942 673 T CA -0.330 61.599 62.100 -0.284 0.000 0.883 673 T CB 0.137 68.650 68.868 -0.591 0.000 1.192 673 T HN 0.084 nan 8.240 nan 0.000 0.524 674 D N 1.752 122.060 120.400 -0.153 0.000 2.323 674 D HA 0.163 4.807 4.640 0.007 0.000 0.239 674 D C 1.585 177.834 176.300 -0.085 0.000 1.129 674 D CA 0.095 54.032 54.000 -0.105 0.000 0.865 674 D CB 0.269 41.014 40.800 -0.092 0.000 0.913 674 D HN 0.272 nan 8.370 nan 0.000 0.517 675 K N 0.252 120.597 120.400 -0.091 0.000 2.044 675 K HA 0.019 4.344 4.320 0.007 0.000 0.204 675 K C 1.156 177.714 176.600 -0.069 0.000 1.049 675 K CA 0.356 56.596 56.287 -0.078 0.000 0.945 675 K CB 0.254 32.704 32.500 -0.083 0.000 0.724 675 K HN 0.076 nan 8.250 nan 0.000 0.440 676 R N 2.165 122.619 120.500 -0.078 0.000 2.229 676 R HA 0.198 4.543 4.340 0.007 0.000 0.328 676 R C -2.430 173.828 176.300 -0.069 0.000 1.009 676 R CA -1.854 54.205 56.100 -0.069 0.000 0.864 676 R CB 0.813 31.069 30.300 -0.074 0.000 1.085 676 R HN -0.100 nan 8.270 nan 0.000 0.453 677 P HA -0.065 nan 4.420 nan 0.000 0.266 677 P C -0.884 176.408 177.300 -0.013 0.000 1.195 677 P CA -0.313 62.775 63.100 -0.020 0.000 0.768 677 P CB 0.453 32.148 31.700 -0.008 0.000 0.838 678 L N 4.799 126.027 121.223 0.008 0.000 2.290 678 L HA 0.268 4.612 4.340 0.007 0.000 0.284 678 L C -0.726 176.166 176.870 0.037 0.000 1.078 678 L CA -0.088 54.775 54.840 0.039 0.000 0.815 678 L CB 0.794 42.899 42.059 0.077 0.000 1.162 678 L HN 0.076 nan 8.230 nan 0.000 0.435 679 V N 4.486 124.429 119.914 0.048 0.000 2.513 679 V HA 0.864 4.988 4.120 0.007 0.000 0.299 679 V C -0.087 176.000 176.094 -0.011 0.000 1.035 679 V CA -0.228 62.080 62.300 0.013 0.000 0.889 679 V CB 1.456 33.288 31.823 0.015 0.000 0.988 679 V HN 0.954 nan 8.190 nan 0.000 0.440 680 S N 2.194 117.867 115.700 -0.044 0.000 2.643 680 S HA 0.709 5.184 4.470 0.007 0.000 0.270 680 S C -0.763 173.780 174.600 -0.094 0.000 1.166 680 S CA -0.623 57.530 58.200 -0.078 0.000 0.815 680 S CB 1.904 65.040 63.200 -0.107 0.000 1.139 680 S HN 0.908 nan 8.310 nan 0.000 0.472 681 S N -0.050 115.571 115.700 -0.131 0.000 2.478 681 S HA 0.525 4.999 4.470 0.007 0.000 0.312 681 S C 0.981 175.443 174.600 -0.229 0.000 1.094 681 S CA -1.013 57.101 58.200 -0.142 0.000 1.081 681 S CB -0.022 63.071 63.200 -0.178 0.000 1.007 681 S HN 0.646 nan 8.310 nan 0.000 0.475 682 I N 4.154 124.578 120.570 -0.244 0.000 2.163 682 I HA -0.223 3.952 4.170 0.007 0.000 0.243 682 I C 2.594 178.388 176.117 -0.538 0.000 1.085 682 I CA 1.660 62.642 61.300 -0.530 0.000 1.347 682 I CB -0.568 37.090 38.000 -0.571 0.000 1.044 682 I HN 0.850 nan 8.210 nan 0.000 0.408 683 H N 1.707 120.588 119.070 -0.314 0.000 2.457 683 H HA -0.155 4.405 4.556 0.007 0.000 0.294 683 H C 1.790 177.088 175.328 -0.050 0.000 1.064 683 H CA 1.647 57.611 56.048 -0.140 0.000 1.330 683 H CB -0.594 29.126 29.762 -0.070 0.000 1.395 683 H HN 0.645 nan 8.280 nan 0.000 0.541 684 E N 1.186 121.017 120.200 -0.616 0.000 2.076 684 E HA -0.122 4.232 4.350 0.007 0.000 0.190 684 E C 1.841 178.349 176.600 -0.153 0.000 0.979 684 E CA 0.670 56.827 56.400 -0.406 0.000 0.807 684 E CB -0.153 29.297 29.700 -0.418 0.000 0.761 684 E HN 0.562 nan 8.360 nan 0.000 0.454 685 E N -0.104 120.009 120.200 -0.145 0.000 2.072 685 E HA -0.110 4.244 4.350 0.007 0.000 0.191 685 E C 1.807 178.505 176.600 0.164 0.000 0.985 685 E CA 0.830 57.212 56.400 -0.031 0.000 0.801 685 E CB -0.118 29.530 29.700 -0.086 0.000 0.750 685 E HN 0.233 nan 8.360 nan 0.000 0.452 686 F N 1.011 120.942 119.950 -0.032 0.000 2.126 686 F HA -0.189 4.343 4.527 0.008 0.000 0.299 686 F C 2.156 177.989 175.800 0.055 0.000 1.096 686 F CA 1.002 59.007 58.000 0.009 0.000 1.255 686 F CB -0.819 38.189 39.000 0.013 0.000 0.997 686 F HN 0.048 nan 8.300 nan 0.000 0.479 687 L N -0.720 120.645 121.223 0.237 0.000 2.027 687 L HA -0.212 4.133 4.340 0.007 0.000 0.206 687 L C 2.674 179.655 176.870 0.186 0.000 1.074 687 L CA 1.290 56.240 54.840 0.183 0.000 0.745 687 L CB -0.702 41.425 42.059 0.113 0.000 0.898 687 L HN 0.132 nan 8.230 nan 0.000 0.433 688 Q N 0.451 120.324 119.800 0.122 0.000 2.061 688 Q HA -0.250 4.095 4.340 0.007 0.000 0.204 688 Q C 2.191 178.254 176.000 0.105 0.000 0.984 688 Q CA 2.045 57.902 55.803 0.090 0.000 0.846 688 Q CB -0.214 28.544 28.738 0.033 0.000 0.902 688 Q HN 0.494 nan 8.270 nan 0.000 0.421 689 M N -0.855 118.817 119.600 0.119 0.000 2.159 689 M HA -0.195 4.289 4.480 0.007 0.000 0.263 689 M C 2.054 178.421 176.300 0.113 0.000 1.063 689 M CA 1.564 56.923 55.300 0.098 0.000 1.110 689 M CB -0.507 32.150 32.600 0.096 0.000 1.374 689 M HN 0.210 nan 8.290 nan 0.000 0.411 690 Y N 1.550 121.885 120.300 0.057 0.000 2.133 690 Y HA -0.246 4.309 4.550 0.007 0.000 0.287 690 Y C 1.887 177.878 175.900 0.151 0.000 1.134 690 Y CA 1.823 59.962 58.100 0.065 0.000 1.133 690 Y CB -0.399 38.071 38.460 0.017 0.000 0.987 690 Y HN 0.190 nan 8.280 nan 0.000 0.502 691 D N 0.281 120.717 120.400 0.058 0.000 2.149 691 D HA -0.204 4.440 4.640 0.007 0.000 0.198 691 D C 2.047 178.433 176.300 0.144 0.000 0.990 691 D CA 1.739 55.799 54.000 0.099 0.000 0.839 691 D CB -0.305 40.615 40.800 0.200 0.000 0.948 691 D HN 0.610 nan 8.370 nan 0.000 0.460 692 E N 0.104 120.356 120.200 0.087 0.000 2.047 692 E HA -0.104 4.250 4.350 0.007 0.000 0.191 692 E C 2.030 178.654 176.600 0.040 0.000 0.987 692 E CA 0.916 57.358 56.400 0.070 0.000 0.799 692 E CB 0.016 29.738 29.700 0.037 0.000 0.752 692 E HN 0.180 nan 8.360 nan 0.000 0.449 693 A N 0.441 123.262 122.820 0.001 0.000 1.902 693 A HA -0.206 4.118 4.320 0.007 0.000 0.217 693 A C 1.883 179.441 177.584 -0.043 0.000 1.181 693 A CA 1.458 53.478 52.037 -0.030 0.000 0.623 693 A CB -1.140 17.840 19.000 -0.033 0.000 0.818 693 A HN 0.675 nan 8.150 nan 0.000 0.443 694 W N 0.652 121.780 121.300 -0.285 0.000 2.388 694 W HA -0.121 4.543 4.660 0.007 0.000 0.294 694 W C 2.137 178.619 176.519 -0.060 0.000 1.212 694 W CA 1.918 59.133 57.345 -0.216 0.000 1.271 694 W CB 0.059 29.310 29.460 -0.349 0.000 1.126 694 W HN 0.282 nan 8.180 nan 0.000 0.535 695 K N -0.004 120.466 120.400 0.116 0.000 2.076 695 K HA -0.124 4.200 4.320 0.007 0.000 0.204 695 K C 2.055 178.564 176.600 -0.152 0.000 1.051 695 K CA 1.600 57.863 56.287 -0.039 0.000 0.949 695 K CB -0.466 32.126 32.500 0.154 0.000 0.726 695 K HN 0.209 nan 8.250 nan 0.000 0.443 696 L N 0.704 121.872 121.223 -0.090 0.000 2.017 696 L HA -0.163 4.181 4.340 0.007 0.000 0.208 696 L C 2.614 179.369 176.870 -0.192 0.000 1.073 696 L CA 1.404 56.187 54.840 -0.094 0.000 0.745 696 L CB -0.606 41.426 42.059 -0.046 0.000 0.894 696 L HN 0.269 nan 8.230 nan 0.000 0.432 697 A N -0.154 122.504 122.820 -0.270 0.000 1.917 697 A HA -0.279 4.045 4.320 0.007 0.000 0.219 697 A C 2.475 179.750 177.584 -0.515 0.000 1.182 697 A CA 2.116 53.871 52.037 -0.471 0.000 0.633 697 A CB -0.624 18.057 19.000 -0.531 0.000 0.819 697 A HN 0.378 nan 8.150 nan 0.000 0.448 698 R N -0.767 119.484 120.500 -0.414 0.000 2.062 698 R HA -0.111 4.234 4.340 0.007 0.000 0.226 698 R C 1.231 177.410 176.300 -0.201 0.000 1.125 698 R CA 1.524 57.438 56.100 -0.311 0.000 0.966 698 R CB -0.283 29.687 30.300 -0.551 0.000 0.861 698 R HN 0.405 nan 8.270 nan 0.000 0.433 699 D N 0.321 120.603 120.400 -0.198 0.000 2.264 699 D HA -0.086 4.559 4.640 0.007 0.000 0.208 699 D C 0.815 177.035 176.300 -0.134 0.000 0.966 699 D CA 0.884 54.800 54.000 -0.139 0.000 0.864 699 D CB -0.061 40.681 40.800 -0.097 0.000 0.933 699 D HN 0.253 nan 8.370 nan 0.000 0.499 700 N N -0.609 118.007 118.700 -0.141 0.000 2.220 700 N HA -0.066 4.679 4.740 0.007 0.000 0.195 700 N C 0.106 175.521 175.510 -0.158 0.000 1.123 700 N CA -0.247 52.712 53.050 -0.152 0.000 0.874 700 N CB 0.116 38.527 38.487 -0.126 0.000 0.995 700 N HN 0.172 nan 8.380 nan 0.000 0.498 701 Y N 2.980 123.126 120.300 -0.256 0.000 2.712 701 Y HA -0.149 4.406 4.550 0.007 0.000 0.333 701 Y C 1.758 177.534 175.900 -0.207 0.000 1.225 701 Y CA -0.636 57.340 58.100 -0.207 0.000 1.499 701 Y CB 0.404 38.763 38.460 -0.169 0.000 1.288 701 Y HN 0.199 nan 8.280 nan 0.000 0.575 702 W N 5.002 125.781 121.300 -0.868 0.000 2.325 702 W HA -0.249 4.416 4.660 0.007 0.000 0.299 702 W C -0.485 175.738 176.519 -0.494 0.000 1.215 702 W CA 1.290 58.238 57.345 -0.663 0.000 1.244 702 W CB -0.694 28.384 29.460 -0.637 0.000 1.140 702 W HN 0.624 nan 8.180 nan 0.000 0.523 703 N N 1.718 119.311 118.700 -1.845 0.000 2.485 703 N HA 0.017 4.761 4.740 0.007 0.000 0.243 703 N C 0.954 176.154 175.510 -0.515 0.000 0.987 703 N CA -0.059 52.176 53.050 -1.359 0.000 0.940 703 N CB 1.091 38.477 38.487 -1.836 0.000 1.122 703 N HN 0.066 nan 8.380 nan 0.000 0.509 704 E N 3.435 123.410 120.200 -0.374 0.000 2.085 704 E HA -0.254 4.100 4.350 0.007 0.000 0.194 704 E C 1.643 178.145 176.600 -0.163 0.000 0.994 704 E CA 1.482 57.755 56.400 -0.212 0.000 0.801 704 E CB 0.035 29.620 29.700 -0.190 0.000 0.743 704 E HN 0.789 nan 8.360 nan 0.000 0.453 705 A N 0.543 123.247 122.820 -0.192 0.000 1.841 705 A HA -0.199 4.126 4.320 0.007 0.000 0.216 705 A C 2.434 179.948 177.584 -0.117 0.000 1.199 705 A CA 1.874 53.826 52.037 -0.142 0.000 0.621 705 A CB -1.030 17.881 19.000 -0.148 0.000 0.835 705 A HN 0.227 nan 8.150 nan 0.000 0.445 706 V N 0.016 119.855 119.914 -0.126 0.000 2.453 706 V HA -0.298 3.826 4.120 0.007 0.000 0.252 706 V C 2.982 178.995 176.094 -0.135 0.000 1.068 706 V CA 2.037 64.279 62.300 -0.098 0.000 1.070 706 V CB -1.398 30.417 31.823 -0.013 0.000 0.664 706 V HN 0.665 nan 8.190 nan 0.000 0.461 707 A N -0.124 122.660 122.820 -0.060 0.000 1.858 707 A HA -0.268 4.057 4.320 0.007 0.000 0.216 707 A C 2.349 179.873 177.584 -0.100 0.000 1.190 707 A CA 2.136 54.147 52.037 -0.043 0.000 0.617 707 A CB -0.526 18.488 19.000 0.022 0.000 0.827 707 A HN 0.514 nan 8.150 nan 0.000 0.443 708 K N -0.681 119.668 120.400 -0.085 0.000 2.113 708 K HA -0.218 4.107 4.320 0.007 0.000 0.208 708 K C 2.118 178.690 176.600 -0.048 0.000 1.047 708 K CA 1.697 57.946 56.287 -0.063 0.000 0.928 708 K CB -0.076 32.391 32.500 -0.054 0.000 0.716 708 K HN 0.519 nan 8.250 nan 0.000 0.446 709 E N 0.859 121.016 120.200 -0.072 0.000 2.033 709 E HA -0.120 4.235 4.350 0.007 0.000 0.189 709 E C 2.076 178.627 176.600 -0.082 0.000 0.979 709 E CA 1.042 57.406 56.400 -0.059 0.000 0.802 709 E CB -0.114 29.548 29.700 -0.064 0.000 0.763 709 E HN 0.349 nan 8.360 nan 0.000 0.449 710 I N 1.614 122.063 120.570 -0.201 0.000 2.163 710 I HA -0.328 3.846 4.170 0.007 0.000 0.243 710 I C 2.753 178.748 176.117 -0.202 0.000 1.085 710 I CA 1.509 62.614 61.300 -0.326 0.000 1.347 710 I CB -0.601 36.919 38.000 -0.800 0.000 1.044 710 I HN 0.138 nan 8.210 nan 0.000 0.408 711 S N 1.050 116.644 115.700 -0.178 0.000 2.365 711 S HA -0.281 4.194 4.470 0.007 0.000 0.221 711 S C 1.805 176.661 174.600 0.427 0.000 1.037 711 S CA 1.602 59.817 58.200 0.025 0.000 1.060 711 S CB -0.927 62.119 63.200 -0.257 0.000 0.974 711 S HN 0.485 nan 8.310 nan 0.000 0.427 712 E N 0.860 121.234 120.200 0.289 0.000 2.273 712 E HA -0.143 4.211 4.350 0.007 0.000 0.198 712 E C 2.273 179.015 176.600 0.238 0.000 1.002 712 E CA 0.939 57.511 56.400 0.287 0.000 0.828 712 E CB -0.170 29.619 29.700 0.149 0.000 0.747 712 E HN 0.564 nan 8.360 nan 0.000 0.491 713 R N 0.949 121.560 120.500 0.185 0.000 2.254 713 R HA 0.032 4.377 4.340 0.007 0.000 0.195 713 R C 2.003 178.425 176.300 0.204 0.000 0.957 713 R CA 0.390 56.578 56.100 0.147 0.000 1.024 713 R CB 0.226 30.571 30.300 0.075 0.000 0.952 713 R HN 0.287 nan 8.270 nan 0.000 0.484 714 I N -3.518 117.241 120.570 0.315 0.000 4.181 714 I HA 0.130 4.304 4.170 0.007 0.000 0.331 714 I C 1.609 178.048 176.117 0.536 0.000 1.312 714 I CA -0.385 61.166 61.300 0.418 0.000 1.146 714 I CB -0.316 37.934 38.000 0.416 0.000 1.074 714 I HN -0.090 nan 8.210 nan 0.000 0.402 715 Y N 2.894 123.457 120.300 0.437 0.000 1.974 715 Y HA -0.374 4.181 4.550 0.007 0.000 0.255 715 Y C 2.744 178.723 175.900 0.132 0.000 1.125 715 Y CA 2.730 60.926 58.100 0.161 0.000 1.085 715 Y CB -0.343 37.978 38.460 -0.231 0.000 0.957 715 Y HN 0.290 nan 8.280 nan 0.000 0.484 716 E N 0.573 120.852 120.200 0.131 0.000 2.086 716 E HA -0.377 3.978 4.350 0.007 0.000 0.200 716 E C 2.350 178.913 176.600 -0.063 0.000 1.012 716 E CA 2.036 58.434 56.400 -0.002 0.000 0.812 716 E CB -0.410 29.362 29.700 0.119 0.000 0.743 716 E HN 0.556 nan 8.360 nan 0.000 0.453 717 K N -0.567 119.827 120.400 -0.010 0.000 2.089 717 K HA -0.223 4.102 4.320 0.007 0.000 0.210 717 K C 1.821 178.321 176.600 -0.166 0.000 1.048 717 K CA 1.998 58.211 56.287 -0.123 0.000 0.926 717 K CB -0.276 32.088 32.500 -0.227 0.000 0.714 717 K HN 0.261 nan 8.250 nan 0.000 0.448 718 Y N -0.280 120.051 120.300 0.052 0.000 2.510 718 Y HA 0.126 4.680 4.550 0.007 0.000 0.273 718 Y C 2.362 177.997 175.900 -0.443 0.000 1.119 718 Y CA 0.288 58.381 58.100 -0.012 0.000 1.286 718 Y CB 0.206 38.765 38.460 0.165 0.000 1.061 718 Y HN 0.042 nan 8.280 nan 0.000 0.542 719 R N 0.723 120.931 120.500 -0.485 0.000 2.115 719 R HA -0.118 4.227 4.340 0.007 0.000 0.226 719 R C 1.072 177.128 176.300 -0.407 0.000 1.100 719 R CA 1.189 56.816 56.100 -0.789 0.000 0.980 719 R CB -0.041 29.836 30.300 -0.706 0.000 0.875 719 R HN 0.306 nan 8.270 nan 0.000 0.445 720 N N 0.695 119.258 118.700 -0.228 0.000 2.573 720 N HA -0.100 4.645 4.740 0.007 0.000 0.187 720 N C 1.418 176.855 175.510 -0.120 0.000 1.107 720 N CA 0.720 53.694 53.050 -0.127 0.000 0.918 720 N CB 0.102 38.555 38.487 -0.056 0.000 0.966 720 N HN 0.341 nan 8.380 nan 0.000 0.448 721 L N -0.315 120.814 121.223 -0.158 0.000 2.416 721 L HA 0.076 4.421 4.340 0.007 0.000 0.216 721 L C 1.971 178.767 176.870 -0.123 0.000 1.098 721 L CA 0.130 54.887 54.840 -0.138 0.000 0.840 721 L CB -0.106 41.874 42.059 -0.133 0.000 0.981 721 L HN -0.116 nan 8.230 nan 0.000 0.462 722 V N 1.211 121.017 119.914 -0.180 0.000 2.282 722 V HA -0.201 3.924 4.120 0.007 0.000 0.249 722 V C -0.169 175.936 176.094 0.019 0.000 1.057 722 V CA 2.193 64.426 62.300 -0.111 0.000 1.032 722 V CB -1.833 29.888 31.823 -0.171 0.000 0.645 722 V HN 0.390 nan 8.190 nan 0.000 0.447 723 P HA -0.109 nan 4.420 nan 0.000 0.228 723 P C 1.490 178.806 177.300 0.026 0.000 1.151 723 P CA 1.301 64.421 63.100 0.033 0.000 0.770 723 P CB -0.065 31.635 31.700 0.000 0.000 0.786 724 L N -1.501 119.724 121.223 0.004 0.000 2.529 724 L HA 0.098 4.442 4.340 0.007 0.000 0.223 724 L C 1.098 177.992 176.870 0.039 0.000 1.113 724 L CA -0.027 54.812 54.840 -0.003 0.000 0.861 724 L CB -0.491 41.541 42.059 -0.044 0.000 1.012 724 L HN -0.088 nan 8.230 nan 0.000 0.461 725 C N 0.710 120.063 119.300 0.087 0.000 2.527 725 C HA 0.216 4.681 4.460 0.007 0.000 0.396 725 C C 1.434 176.620 174.990 0.327 0.000 1.289 725 C CA -0.445 58.668 59.018 0.158 0.000 2.047 725 C CB 0.961 28.734 27.740 0.055 0.000 2.568 725 C HN 0.300 nan 8.230 nan 0.000 0.573 726 K N 0.218 120.803 120.400 0.308 0.000 2.474 726 K HA 0.136 4.461 4.320 0.007 0.000 0.204 726 K C 0.856 177.658 176.600 0.336 0.000 1.220 726 K CA 0.423 56.867 56.287 0.262 0.000 0.966 726 K CB 0.350 32.937 32.500 0.145 0.000 1.049 726 K HN 0.888 nan 8.250 nan 0.000 0.554 727 T N -2.695 112.091 114.554 0.387 0.000 2.924 727 T HA 0.401 4.756 4.350 0.007 0.000 0.291 727 T C 0.786 175.671 174.700 0.308 0.000 1.045 727 T CA -0.830 61.482 62.100 0.355 0.000 1.015 727 T CB 2.176 71.201 68.868 0.263 0.000 1.103 727 T HN -0.145 nan 8.240 nan 0.000 0.496 728 R N 0.019 120.643 120.500 0.207 0.000 2.159 728 R HA -0.102 4.243 4.340 0.007 0.000 0.237 728 R C 1.665 177.890 176.300 -0.125 0.000 1.131 728 R CA 1.562 57.556 56.100 -0.177 0.000 0.982 728 R CB -1.392 28.589 30.300 -0.532 0.000 0.868 728 R HN 0.797 nan 8.270 nan 0.000 0.453 729 Y N 0.671 121.035 120.300 0.107 0.000 2.314 729 Y HA -0.078 4.476 4.550 0.007 0.000 0.293 729 Y C 1.386 177.363 175.900 0.129 0.000 1.129 729 Y CA 1.706 59.986 58.100 0.301 0.000 1.201 729 Y CB -0.073 38.562 38.460 0.293 0.000 0.999 729 Y HN 0.130 nan 8.280 nan 0.000 0.541 730 D N 0.211 120.626 120.400 0.026 0.000 2.097 730 D HA -0.220 4.425 4.640 0.007 0.000 0.195 730 D C 2.410 178.589 176.300 -0.203 0.000 0.989 730 D CA 1.278 55.228 54.000 -0.084 0.000 0.827 730 D CB -0.566 40.244 40.800 0.018 0.000 0.966 730 D HN 0.370 nan 8.370 nan 0.000 0.456 731 L N 0.556 121.564 121.223 -0.358 0.000 2.042 731 L HA -0.213 4.132 4.340 0.007 0.000 0.210 731 L C 2.476 179.227 176.870 -0.198 0.000 1.076 731 L CA 1.114 55.694 54.840 -0.433 0.000 0.749 731 L CB -0.252 41.311 42.059 -0.827 0.000 0.893 731 L HN 0.021 nan 8.230 nan 0.000 0.432 732 S N 0.046 115.672 115.700 -0.122 0.000 2.359 732 S HA -0.240 4.235 4.470 0.007 0.000 0.224 732 S C 1.582 176.139 174.600 -0.073 0.000 1.035 732 S CA 2.110 60.310 58.200 0.001 0.000 1.018 732 S CB -0.250 63.068 63.200 0.197 0.000 0.876 732 S HN 0.514 nan 8.310 nan 0.000 0.448 733 N N 0.433 119.020 118.700 -0.189 0.000 2.061 733 N HA -0.109 4.636 4.740 0.007 0.000 0.193 733 N C 1.680 177.172 175.510 -0.029 0.000 1.030 733 N CA 1.734 54.700 53.050 -0.140 0.000 0.856 733 N CB -0.505 37.869 38.487 -0.188 0.000 1.023 733 N HN 0.248 nan 8.380 nan 0.000 0.424 734 V N 1.083 120.984 119.914 -0.021 0.000 2.237 734 V HA -0.210 3.915 4.120 0.007 0.000 0.245 734 V C 2.114 178.249 176.094 0.068 0.000 1.046 734 V CA 1.503 63.846 62.300 0.072 0.000 1.007 734 V CB -0.598 31.240 31.823 0.024 0.000 0.638 734 V HN 0.304 nan 8.190 nan 0.000 0.445 735 I N -0.131 120.481 120.570 0.071 0.000 2.151 735 I HA -0.256 3.918 4.170 0.007 0.000 0.243 735 I C 2.421 178.543 176.117 0.009 0.000 1.080 735 I CA 1.533 62.883 61.300 0.083 0.000 1.339 735 I CB -0.491 37.553 38.000 0.074 0.000 1.039 735 I HN 0.161 nan 8.210 nan 0.000 0.409 736 V N 0.518 120.440 119.914 0.014 0.000 2.343 736 V HA -0.250 3.874 4.120 0.007 0.000 0.247 736 V C 2.488 178.577 176.094 -0.007 0.000 1.051 736 V CA 1.752 64.071 62.300 0.033 0.000 1.036 736 V CB -0.660 31.201 31.823 0.063 0.000 0.654 736 V HN 0.410 nan 8.190 nan 0.000 0.451 737 E N 0.143 120.310 120.200 -0.055 0.000 2.118 737 E HA -0.270 4.084 4.350 0.007 0.000 0.195 737 E C 2.159 178.494 176.600 -0.442 0.000 0.992 737 E CA 1.941 58.264 56.400 -0.130 0.000 0.804 737 E CB -0.344 29.395 29.700 0.065 0.000 0.741 737 E HN 0.764 nan 8.360 nan 0.000 0.458 738 M N 0.109 119.330 119.600 -0.633 0.000 2.349 738 M HA -0.065 4.420 4.480 0.007 0.000 0.266 738 M C 1.702 177.935 176.300 -0.112 0.000 1.076 738 M CA 1.481 56.400 55.300 -0.635 0.000 1.126 738 M CB -0.086 32.295 32.600 -0.365 0.000 1.392 738 M HN -0.125 nan 8.290 nan 0.000 0.440 739 Q N 0.519 120.296 119.800 -0.039 0.000 2.172 739 Q HA 0.080 4.424 4.340 0.007 0.000 0.200 739 Q C 2.175 178.240 176.000 0.109 0.000 0.964 739 Q CA 1.217 57.052 55.803 0.055 0.000 0.855 739 Q CB -0.556 28.193 28.738 0.018 0.000 0.918 739 Q HN 0.779 nan 8.270 nan 0.000 0.444 740 G N 1.354 110.178 108.800 0.040 0.000 2.470 740 G HA2 -0.228 3.736 3.960 0.007 0.000 0.220 740 G HA3 -0.228 3.736 3.960 0.007 0.000 0.220 740 G C 1.175 176.096 174.900 0.034 0.000 1.121 740 G CA 0.353 45.477 45.100 0.040 0.000 0.766 740 G HN 0.185 nan 8.290 nan 0.000 0.553 741 E N 0.000 120.205 120.200 0.008 0.000 2.401 741 E HA -0.085 4.269 4.350 0.007 0.000 0.199 741 E C 1.169 177.682 176.600 -0.146 0.000 1.023 741 E CA 0.472 56.853 56.400 -0.031 0.000 0.859 741 E CB -0.172 29.510 29.700 -0.030 0.000 0.780 741 E HN 0.668 nan 8.360 nan 0.000 0.523 742 Y N 0.330 120.562 120.300 -0.114 0.000 2.490 742 Y HA 0.146 4.701 4.550 0.008 0.000 0.281 742 Y C 0.546 176.394 175.900 -0.087 0.000 1.174 742 Y CA -0.095 57.870 58.100 -0.226 0.000 1.295 742 Y CB 0.060 38.297 38.460 -0.372 0.000 1.062 742 Y HN -0.118 nan 8.280 nan 0.000 0.522 743 R N 0.504 121.083 120.500 0.131 0.000 3.387 743 R HA -0.176 4.168 4.340 0.007 0.000 0.254 743 R C -0.618 175.818 176.300 0.226 0.000 1.006 743 R CA 1.016 57.279 56.100 0.272 0.000 0.677 743 R CB -2.440 28.014 30.300 0.258 0.000 1.063 743 R HN 0.135 nan 8.270 nan 0.000 0.453 744 T N -1.445 113.006 114.554 -0.171 0.000 2.865 744 T HA 0.465 4.820 4.350 0.007 0.000 0.294 744 T C 0.150 174.081 174.700 -1.281 0.000 1.119 744 T CA -0.454 61.389 62.100 -0.427 0.000 1.007 744 T CB 1.921 70.838 68.868 0.081 0.000 1.225 744 T HN 0.216 nan 8.240 nan 0.000 0.515 745 S N -0.214 114.678 115.700 -1.346 0.000 2.645 745 S HA 0.406 4.881 4.470 0.007 0.000 0.266 745 S C 0.031 174.373 174.600 -0.430 0.000 1.258 745 S CA -0.186 57.231 58.200 -1.305 0.000 0.990 745 S CB -0.126 62.426 63.200 -1.080 0.000 0.967 745 S HN 0.966 nan 8.310 nan 0.000 0.556 746 H N -1.536 117.257 119.070 -0.462 0.000 3.080 746 H HA -0.126 4.435 4.556 0.007 0.000 0.254 746 H C -0.310 174.447 175.328 -0.952 0.000 1.179 746 H CA 0.899 56.427 56.048 -0.868 0.000 1.144 746 H CB -2.176 27.349 29.762 -0.395 0.000 1.261 746 H HN 0.481 nan 8.280 nan 0.000 0.333 747 S N 1.127 116.514 115.700 -0.523 0.000 2.955 747 S HA 0.325 4.799 4.470 0.007 0.000 0.294 747 S C -0.062 174.496 174.600 -0.070 0.000 1.198 747 S CA -0.470 57.585 58.200 -0.242 0.000 1.008 747 S CB -0.043 63.097 63.200 -0.099 0.000 1.279 747 S HN 0.296 nan 8.310 nan 0.000 0.508 748 Y N 1.086 121.379 120.300 -0.011 0.000 2.596 748 Y HA 0.567 5.121 4.550 0.007 0.000 0.326 748 Y C 0.689 176.567 175.900 -0.037 0.000 1.167 748 Y CA -1.280 56.785 58.100 -0.058 0.000 1.246 748 Y CB 1.040 39.459 38.460 -0.068 0.000 1.347 748 Y HN 0.287 nan 8.280 nan 0.000 0.515 749 E N 2.161 122.445 120.200 0.140 0.000 2.343 749 E HA 0.351 4.705 4.350 0.007 0.000 0.260 749 E C -1.802 174.831 176.600 0.055 0.000 0.908 749 E CA -0.339 56.116 56.400 0.092 0.000 0.814 749 E CB 1.000 30.753 29.700 0.089 0.000 1.302 749 E HN 0.654 nan 8.360 nan 0.000 0.408 750 M N 1.987 121.628 119.600 0.069 0.000 2.716 750 M HA 0.685 5.170 4.480 0.007 0.000 0.307 750 M C 0.598 176.954 176.300 0.095 0.000 1.223 750 M CA -0.226 55.098 55.300 0.039 0.000 0.871 750 M CB 1.866 34.473 32.600 0.012 0.000 1.739 750 M HN 0.710 nan 8.290 nan 0.000 0.475 751 G N 0.429 109.282 108.800 0.088 0.000 2.598 751 G HA2 0.259 4.224 3.960 0.007 0.000 0.244 751 G HA3 0.259 4.224 3.960 0.007 0.000 0.244 751 G C 0.052 175.111 174.900 0.265 0.000 1.302 751 G CA -0.089 45.092 45.100 0.136 0.000 0.903 751 G HN 1.883 nan 8.290 nan 0.000 0.575 752 G N -3.278 105.675 108.800 0.256 0.000 2.716 752 G HA2 0.397 4.362 3.960 0.007 0.000 0.686 752 G HA3 0.397 4.362 3.960 0.007 0.000 0.686 752 G C -0.243 174.869 174.900 0.353 0.000 1.337 752 G CA 0.504 45.781 45.100 0.295 0.000 0.829 752 G HN 2.003 nan 8.290 nan 0.000 0.599 753 T N 1.718 116.398 114.554 0.210 0.000 2.770 753 T HA 0.563 4.917 4.350 0.007 0.000 0.297 753 T C 0.676 175.419 174.700 0.071 0.000 0.997 753 T CA -0.003 62.233 62.100 0.227 0.000 0.949 753 T CB 0.684 69.723 68.868 0.286 0.000 0.941 753 T HN 0.437 nan 8.240 nan 0.000 0.457 754 F N 1.388 121.405 119.950 0.113 0.000 2.720 754 F HA 0.326 4.857 4.527 0.008 0.000 0.301 754 F C 1.466 177.313 175.800 0.077 0.000 1.103 754 F CA -0.289 57.778 58.000 0.111 0.000 1.291 754 F CB 1.059 40.120 39.000 0.102 0.000 1.086 754 F HN 0.470 nan 8.300 nan 0.000 0.592 755 T N -0.930 113.753 114.554 0.215 0.000 2.827 755 T HA 0.133 4.488 4.350 0.007 0.000 0.328 755 T C -0.965 173.777 174.700 0.070 0.000 1.598 755 T CA -0.570 61.598 62.100 0.113 0.000 1.043 755 T CB 1.209 70.119 68.868 0.069 0.000 1.447 755 T HN 0.131 nan 8.240 nan 0.000 0.491 756 D N 1.115 121.536 120.400 0.035 0.000 2.340 756 D HA 0.151 4.795 4.640 0.007 0.000 0.217 756 D C 0.133 176.421 176.300 -0.020 0.000 1.081 756 D CA -0.182 53.828 54.000 0.016 0.000 0.842 756 D CB 0.269 41.079 40.800 0.016 0.000 0.934 756 D HN 0.216 nan 8.370 nan 0.000 0.511 757 K N 1.497 121.872 120.400 -0.042 0.000 2.298 757 K HA 0.142 4.467 4.320 0.007 0.000 0.280 757 K C -0.001 176.530 176.600 -0.115 0.000 1.032 757 K CA -0.428 55.800 56.287 -0.099 0.000 0.958 757 K CB 1.051 33.462 32.500 -0.147 0.000 0.978 757 K HN 0.125 nan 8.250 nan 0.000 0.472 758 D N 3.903 124.222 120.400 -0.134 0.000 2.372 758 D HA 0.126 4.770 4.640 0.007 0.000 0.243 758 D C -1.965 174.221 176.300 -0.189 0.000 1.121 758 D CA -1.149 52.778 54.000 -0.121 0.000 0.898 758 D CB 0.582 41.327 40.800 -0.092 0.000 1.202 758 D HN 0.242 nan 8.370 nan 0.000 0.428 759 P HA -0.003 nan 4.420 nan 0.000 0.268 759 P C -0.187 177.048 177.300 -0.108 0.000 1.208 759 P CA -0.127 62.911 63.100 -0.104 0.000 0.777 759 P CB 0.403 32.093 31.700 -0.017 0.000 0.875 760 F N 1.651 121.600 119.950 -0.002 0.000 2.506 760 F HA 0.147 4.679 4.527 0.008 0.000 0.351 760 F C 1.791 177.597 175.800 0.011 0.000 1.136 760 F CA 0.601 58.601 58.000 0.000 0.000 1.298 760 F CB 0.338 39.328 39.000 -0.017 0.000 1.145 760 F HN 0.061 nan 8.300 nan 0.000 0.593 761 R N 1.180 121.839 120.500 0.264 0.000 2.604 761 R HA 0.546 4.890 4.340 0.007 0.000 0.287 761 R C -0.889 175.514 176.300 0.172 0.000 0.970 761 R CA -0.793 55.407 56.100 0.167 0.000 0.946 761 R CB 1.874 32.251 30.300 0.127 0.000 1.127 761 R HN 0.545 nan 8.270 nan 0.000 0.473 762 S N 0.317 116.094 115.700 0.129 0.000 2.733 762 S HA 0.424 4.898 4.470 0.007 0.000 0.294 762 S C -0.503 174.160 174.600 0.104 0.000 1.149 762 S CA -0.599 57.680 58.200 0.132 0.000 1.034 762 S CB 1.310 64.581 63.200 0.118 0.000 1.015 762 S HN 0.775 nan 8.310 nan 0.000 0.486 763 G N 3.906 112.769 108.800 0.105 0.000 2.349 763 G HA2 0.533 4.498 3.960 0.007 0.000 0.281 763 G HA3 0.533 4.498 3.960 0.007 0.000 0.281 763 G C -0.459 174.497 174.900 0.094 0.000 1.182 763 G CA -0.381 44.764 45.100 0.075 0.000 0.899 763 G HN 0.664 nan 8.290 nan 0.000 0.455 764 R N 1.163 121.705 120.500 0.071 0.000 2.686 764 R HA 0.494 4.839 4.340 0.007 0.000 0.286 764 R C 0.474 176.808 176.300 0.057 0.000 0.969 764 R CA -0.736 55.402 56.100 0.063 0.000 0.898 764 R CB 2.039 32.350 30.300 0.019 0.000 1.183 764 R HN 0.610 nan 8.270 nan 0.000 0.456 765 I N -0.914 119.695 120.570 0.066 0.000 3.426 765 I HA 0.495 4.670 4.170 0.007 0.000 0.329 765 I C -0.001 176.146 176.117 0.050 0.000 1.553 765 I CA -0.564 60.777 61.300 0.069 0.000 1.019 765 I CB 1.410 39.470 38.000 0.100 0.000 1.376 765 I HN 0.655 nan 8.210 nan 0.000 0.525 766 A N 0.315 123.137 122.820 0.003 0.000 2.466 766 A HA -0.182 4.142 4.320 0.007 0.000 0.295 766 A C 0.100 177.727 177.584 0.071 0.000 1.465 766 A CA 0.946 52.982 52.037 -0.002 0.000 0.744 766 A CB -2.391 16.656 19.000 0.079 0.000 1.098 766 A HN 0.716 nan 8.150 nan 0.000 0.402 767 C N -0.197 119.057 119.300 -0.076 0.000 3.241 767 C HA 0.755 5.219 4.460 0.007 0.000 0.312 767 C C -0.758 173.963 174.990 -0.447 0.000 1.350 767 C CA -0.754 58.176 59.018 -0.147 0.000 1.415 767 C CB 2.266 29.889 27.740 -0.194 0.000 1.770 767 C HN 0.711 nan 8.230 nan 0.000 0.466 768 D N 0.682 120.872 120.400 -0.351 0.000 2.502 768 D HA 0.638 5.283 4.640 0.007 0.000 0.249 768 D C -1.044 175.077 176.300 -0.300 0.000 1.092 768 D CA 0.069 53.881 54.000 -0.314 0.000 0.839 768 D CB 0.982 41.805 40.800 0.039 0.000 1.264 768 D HN 0.300 nan 8.370 nan 0.000 0.511 769 F N 0.854 120.924 119.950 0.199 0.000 2.470 769 F HA 0.509 5.041 4.527 0.007 0.000 0.329 769 F C 0.749 176.742 175.800 0.321 0.000 1.072 769 F CA -0.964 57.165 58.000 0.215 0.000 0.989 769 F CB 2.040 41.079 39.000 0.065 0.000 1.193 769 F HN -0.158 nan 8.300 nan 0.000 0.481 770 K N 2.385 123.098 120.400 0.522 0.000 2.482 770 K HA 0.336 4.661 4.320 0.007 0.000 0.251 770 K C -1.789 174.968 176.600 0.261 0.000 0.936 770 K CA -0.818 55.688 56.287 0.364 0.000 0.791 770 K CB 1.880 34.524 32.500 0.241 0.000 1.213 770 K HN 0.532 nan 8.250 nan 0.000 0.428 771 L N 4.427 125.730 121.223 0.133 0.000 2.369 771 L HA 0.243 4.588 4.340 0.007 0.000 0.279 771 L C -0.746 176.105 176.870 -0.032 0.000 1.108 771 L CA 0.888 55.661 54.840 -0.112 0.000 0.852 771 L CB 0.612 42.566 42.059 -0.174 0.000 1.169 771 L HN 0.789 nan 8.230 nan 0.000 0.452 772 D N 4.461 124.841 120.400 -0.033 0.000 2.375 772 D HA 0.435 5.079 4.640 0.007 0.000 0.259 772 D C 0.555 176.856 176.300 0.003 0.000 1.235 772 D CA 0.608 54.614 54.000 0.009 0.000 0.924 772 D CB 1.030 41.857 40.800 0.046 0.000 1.143 772 D HN 0.824 nan 8.370 nan 0.000 0.529 773 G N 4.645 113.432 108.800 -0.021 0.000 2.972 773 G HA2 -0.256 3.708 3.960 0.007 0.000 0.265 773 G HA3 -0.256 3.708 3.960 0.007 0.000 0.265 773 G C 0.317 175.175 174.900 -0.071 0.000 1.506 773 G CA 0.447 45.537 45.100 -0.017 0.000 1.016 773 G HN 0.566 nan 8.290 nan 0.000 0.563 774 D N 0.177 120.531 120.400 -0.077 0.000 2.582 774 D HA 0.242 4.887 4.640 0.007 0.000 0.246 774 D C 0.022 176.034 176.300 -0.479 0.000 1.334 774 D CA 0.025 53.882 54.000 -0.240 0.000 0.805 774 D CB -0.003 40.664 40.800 -0.221 0.000 1.087 774 D HN 0.641 nan 8.370 nan 0.000 0.499 775 H N -0.232 118.759 119.070 -0.132 0.000 2.895 775 H HA 0.267 4.828 4.556 0.007 0.000 0.373 775 H C -1.149 174.106 175.328 -0.122 0.000 1.174 775 H CA -0.519 55.472 56.048 -0.094 0.000 1.144 775 H CB 1.671 31.415 29.762 -0.030 0.000 1.793 775 H HN -0.059 nan 8.280 nan 0.000 0.551 776 Y N 0.584 120.918 120.300 0.057 0.000 2.308 776 Y HA 0.265 4.819 4.550 0.008 0.000 0.329 776 Y C 0.357 176.307 175.900 0.084 0.000 1.111 776 Y CA -0.305 57.810 58.100 0.025 0.000 1.179 776 Y CB 1.652 40.026 38.460 -0.144 0.000 1.201 776 Y HN 0.212 nan 8.280 nan 0.000 0.483 777 V N 4.685 124.784 119.914 0.309 0.000 2.628 777 V HA 0.406 4.530 4.120 0.007 0.000 0.306 777 V C -0.802 175.482 176.094 0.317 0.000 1.045 777 V CA -0.899 61.549 62.300 0.247 0.000 0.905 777 V CB 1.820 33.743 31.823 0.166 0.000 0.997 777 V HN 0.517 nan 8.190 nan 0.000 0.436 778 V N 7.971 128.052 119.914 0.279 0.000 2.377 778 V HA 0.151 4.276 4.120 0.007 0.000 0.254 778 V C 1.472 177.665 176.094 0.166 0.000 1.060 778 V CA 0.858 63.315 62.300 0.260 0.000 1.068 778 V CB -0.085 31.854 31.823 0.194 0.000 1.113 778 V HN 1.112 nan 8.190 nan 0.000 0.484 779 A N 4.820 127.733 122.820 0.156 0.000 1.930 779 A HA -0.019 4.306 4.320 0.007 0.000 0.217 779 A C 1.158 178.768 177.584 0.042 0.000 1.175 779 A CA 1.226 53.327 52.037 0.106 0.000 0.627 779 A CB 0.091 19.166 19.000 0.125 0.000 0.815 779 A HN 0.654 nan 8.150 nan 0.000 0.443 780 K N -2.129 118.276 120.400 0.008 0.000 2.546 780 K HA 0.577 4.901 4.320 0.007 0.000 0.264 780 K C -1.929 174.636 176.600 -0.059 0.000 0.937 780 K CA -0.167 56.069 56.287 -0.084 0.000 0.833 780 K CB 1.888 34.261 32.500 -0.212 0.000 1.378 780 K HN 0.166 nan 8.250 nan 0.000 0.432 781 A N 3.698 126.475 122.820 -0.071 0.000 2.483 781 A HA 0.409 4.733 4.320 0.007 0.000 0.308 781 A C -1.485 176.178 177.584 0.131 0.000 1.291 781 A CA -0.524 51.553 52.037 0.068 0.000 0.774 781 A CB -0.019 18.997 19.000 0.026 0.000 1.134 781 A HN 0.583 nan 8.150 nan 0.000 0.471 782 Y N 0.968 121.315 120.300 0.079 0.000 2.610 782 Y HA 0.333 4.888 4.550 0.008 0.000 0.332 782 Y C 0.913 176.827 175.900 0.023 0.000 1.201 782 Y CA 1.181 59.295 58.100 0.024 0.000 1.465 782 Y CB 0.700 39.132 38.460 -0.047 0.000 1.283 782 Y HN 0.860 nan 8.280 nan 0.000 0.563 783 A N 1.627 124.422 122.820 -0.041 0.000 2.566 783 A HA 0.683 5.008 4.320 0.007 0.000 0.297 783 A C 0.143 177.482 177.584 -0.410 0.000 1.059 783 A CA -0.048 51.775 52.037 -0.356 0.000 0.691 783 A CB 0.908 19.412 19.000 -0.826 0.000 1.282 783 A HN 0.813 nan 8.150 nan 0.000 0.401 784 G N -0.200 108.337 108.800 -0.439 0.000 2.508 784 G HA2 0.411 4.376 3.960 0.007 0.000 0.217 784 G HA3 0.411 4.376 3.960 0.007 0.000 0.217 784 G C -0.511 174.157 174.900 -0.386 0.000 2.004 784 G CA 0.642 45.528 45.100 -0.357 0.000 0.750 784 G HN 0.658 nan 8.290 nan 0.000 0.730 785 D N -0.292 119.941 120.400 -0.279 0.000 2.485 785 D HA 0.278 4.922 4.640 0.007 0.000 0.229 785 D C 0.597 176.808 176.300 -0.147 0.000 1.101 785 D CA -0.803 53.094 54.000 -0.173 0.000 0.906 785 D CB 0.577 41.339 40.800 -0.062 0.000 1.019 785 D HN 0.178 nan 8.370 nan 0.000 0.516 786 Y N 1.579 121.803 120.300 -0.128 0.000 2.172 786 Y HA -0.276 4.279 4.550 0.007 0.000 0.280 786 Y C 2.454 178.309 175.900 -0.075 0.000 1.209 786 Y CA 1.424 59.439 58.100 -0.141 0.000 1.171 786 Y CB -0.316 38.051 38.460 -0.156 0.000 0.965 786 Y HN 0.335 nan 8.280 nan 0.000 0.520 787 S N -0.773 114.991 115.700 0.106 0.000 2.558 787 S HA 0.019 4.493 4.470 0.007 0.000 0.217 787 S C 0.675 175.301 174.600 0.043 0.000 0.975 787 S CA -0.197 58.041 58.200 0.064 0.000 0.912 787 S CB -0.196 63.034 63.200 0.051 0.000 0.776 787 S HN 0.298 nan 8.310 nan 0.000 0.526 788 N N 1.929 120.649 118.700 0.033 0.000 2.366 788 N HA 0.196 4.941 4.740 0.007 0.000 0.277 788 N C 0.012 175.549 175.510 0.045 0.000 1.275 788 N CA -0.131 52.943 53.050 0.040 0.000 0.964 788 N CB 0.320 38.836 38.487 0.047 0.000 1.167 788 N HN 0.258 nan 8.380 nan 0.000 0.568 789 E N -0.893 119.343 120.200 0.060 0.000 2.242 789 E HA 0.383 4.737 4.350 0.007 0.000 0.275 789 E C -0.146 176.512 176.600 0.098 0.000 1.002 789 E CA -0.681 55.753 56.400 0.057 0.000 0.841 789 E CB 0.519 30.236 29.700 0.028 0.000 1.109 789 E HN 0.701 nan 8.360 nan 0.000 0.394 790 G N 3.455 112.306 108.800 0.084 0.000 2.393 790 G HA2 -0.290 3.675 3.960 0.007 0.000 0.299 790 G HA3 -0.290 3.675 3.960 0.007 0.000 0.299 790 G C 0.090 175.080 174.900 0.150 0.000 0.990 790 G CA 0.949 46.120 45.100 0.118 0.000 1.118 790 G HN 0.672 nan 8.290 nan 0.000 0.513 791 E N -0.713 119.515 120.200 0.047 0.000 3.105 791 E HA 0.212 4.566 4.350 0.007 0.000 0.198 791 E C 0.520 177.046 176.600 -0.123 0.000 0.976 791 E CA 0.014 56.375 56.400 -0.066 0.000 1.219 791 E CB 0.409 30.041 29.700 -0.113 0.000 1.081 791 E HN 0.844 nan 8.360 nan 0.000 0.464 792 K N -1.623 118.761 120.400 -0.026 0.000 2.711 792 K HA 0.304 4.629 4.320 0.007 0.000 0.294 792 K C -0.718 176.012 176.600 0.217 0.000 1.037 792 K CA -0.855 55.442 56.287 0.016 0.000 0.858 792 K CB 1.094 33.503 32.500 -0.151 0.000 1.521 792 K HN -0.067 nan 8.250 nan 0.000 0.386 793 S N 1.407 117.375 115.700 0.446 0.000 2.533 793 S HA 0.131 4.605 4.470 0.007 0.000 0.282 793 S C -1.228 173.561 174.600 0.316 0.000 1.304 793 S CA -1.218 57.179 58.200 0.327 0.000 1.063 793 S CB 0.317 63.653 63.200 0.226 0.000 0.881 793 S HN 0.523 nan 8.310 nan 0.000 0.493 794 P HA -0.112 nan 4.420 nan 0.000 0.226 794 P C 1.329 178.742 177.300 0.189 0.000 1.146 794 P CA 1.000 64.206 63.100 0.178 0.000 0.773 794 P CB -0.028 31.748 31.700 0.125 0.000 0.772 795 I N -1.659 118.967 120.570 0.092 0.000 2.394 795 I HA -0.204 3.970 4.170 0.007 0.000 0.251 795 I C 2.240 178.391 176.117 0.058 0.000 1.136 795 I CA 1.157 62.455 61.300 -0.003 0.000 1.425 795 I CB -0.673 37.204 38.000 -0.204 0.000 1.079 795 I HN -0.170 nan 8.210 nan 0.000 0.425 796 F N 1.431 121.452 119.950 0.118 0.000 2.192 796 F HA -0.250 4.282 4.527 0.007 0.000 0.301 796 F C 2.419 178.282 175.800 0.105 0.000 1.079 796 F CA 1.361 59.432 58.000 0.119 0.000 1.303 796 F CB -0.446 38.659 39.000 0.175 0.000 1.024 796 F HN 0.117 nan 8.300 nan 0.000 0.494 797 E N -1.052 119.319 120.200 0.284 0.000 2.267 797 E HA -0.231 4.123 4.350 0.007 0.000 0.197 797 E C 0.892 177.466 176.600 -0.044 0.000 0.998 797 E CA 0.994 57.454 56.400 0.100 0.000 0.830 797 E CB -0.292 29.426 29.700 0.029 0.000 0.751 797 E HN 0.533 nan 8.360 nan 0.000 0.491 798 Y N 0.109 120.428 120.300 0.031 0.000 2.495 798 Y HA 0.217 4.771 4.550 0.007 0.000 0.293 798 Y C 1.243 177.140 175.900 -0.007 0.000 1.186 798 Y CA 0.212 58.311 58.100 -0.002 0.000 1.266 798 Y CB 0.519 38.959 38.460 -0.034 0.000 1.101 798 Y HN -0.010 nan 8.280 nan 0.000 0.517 799 G N 2.014 110.880 108.800 0.110 0.000 2.350 799 G HA2 -0.259 3.706 3.960 0.007 0.000 0.298 799 G HA3 -0.259 3.706 3.960 0.007 0.000 0.298 799 G C -0.200 174.736 174.900 0.060 0.000 1.037 799 G CA 0.599 45.746 45.100 0.078 0.000 1.074 799 G HN 0.531 nan 8.290 nan 0.000 0.511 800 I N -3.088 117.498 120.570 0.028 0.000 2.715 800 I HA 0.408 4.582 4.170 0.007 0.000 0.288 800 I C -1.292 174.678 176.117 -0.245 0.000 1.371 800 I CA -1.349 59.903 61.300 -0.079 0.000 1.056 800 I CB 2.109 40.006 38.000 -0.171 0.000 1.339 800 I HN 0.009 nan 8.210 nan 0.000 0.425 801 D N 8.986 129.287 120.400 -0.165 0.000 2.352 801 D HA 0.278 4.922 4.640 0.007 0.000 0.245 801 D C -1.267 174.847 176.300 -0.310 0.000 1.224 801 D CA -2.213 51.619 54.000 -0.280 0.000 0.879 801 D CB 1.598 42.455 40.800 0.095 0.000 1.057 801 D HN 0.412 nan 8.370 nan 0.000 0.491 802 P HA -0.123 nan 4.420 nan 0.000 0.219 802 P C 0.155 177.451 177.300 -0.006 0.000 1.146 802 P CA 0.409 63.287 63.100 -0.370 0.000 0.808 802 P CB -0.191 31.323 31.700 -0.311 0.000 0.779 803 T N 0.234 114.799 114.554 0.017 0.000 2.867 803 T HA 0.224 4.579 4.350 0.007 0.000 0.290 803 T C 1.596 176.414 174.700 0.197 0.000 1.025 803 T CA 1.338 63.497 62.100 0.099 0.000 1.146 803 T CB -0.245 68.669 68.868 0.076 0.000 1.024 803 T HN 0.441 nan 8.240 nan 0.000 0.519 804 G N 2.322 111.218 108.800 0.159 0.000 2.383 804 G HA2 -0.274 3.690 3.960 0.007 0.000 0.229 804 G HA3 -0.274 3.690 3.960 0.007 0.000 0.229 804 G C 0.236 175.202 174.900 0.110 0.000 1.089 804 G CA -0.074 45.097 45.100 0.118 0.000 0.640 804 G HN 0.740 nan 8.290 nan 0.000 0.510 805 Y N 0.638 120.945 120.300 0.012 0.000 2.459 805 Y HA 0.465 5.020 4.550 0.008 0.000 0.349 805 Y C 1.305 177.218 175.900 0.022 0.000 1.266 805 Y CA -0.008 58.093 58.100 0.002 0.000 1.483 805 Y CB 0.347 38.798 38.460 -0.014 0.000 1.362 805 Y HN 0.204 nan 8.280 nan 0.000 0.628 806 L N 3.250 124.558 121.223 0.141 0.000 2.313 806 L HA 0.391 4.735 4.340 0.007 0.000 0.283 806 L C -0.755 176.174 176.870 0.099 0.000 1.013 806 L CA -0.460 54.434 54.840 0.090 0.000 0.816 806 L CB 1.147 43.186 42.059 -0.034 0.000 1.236 806 L HN 0.436 nan 8.230 nan 0.000 0.419 807 I N 3.619 124.252 120.570 0.105 0.000 2.363 807 I HA 0.048 4.222 4.170 0.007 0.000 0.292 807 I C 1.056 177.220 176.117 0.077 0.000 1.075 807 I CA -0.128 61.195 61.300 0.038 0.000 1.333 807 I CB 0.887 38.836 38.000 -0.086 0.000 1.415 807 I HN 0.715 nan 8.210 nan 0.000 0.502 808 E N 4.880 125.113 120.200 0.054 0.000 2.014 808 E HA -0.035 4.319 4.350 0.007 0.000 0.190 808 E C -0.125 176.493 176.600 0.031 0.000 0.980 808 E CA 1.090 57.540 56.400 0.084 0.000 0.807 808 E CB 0.021 29.748 29.700 0.045 0.000 0.770 808 E HN 0.837 nan 8.360 nan 0.000 0.451 809 D N -1.434 118.955 120.400 -0.019 0.000 2.599 809 D HA 0.505 5.149 4.640 0.007 0.000 0.252 809 D C -0.832 175.421 176.300 -0.078 0.000 1.232 809 D CA -0.581 53.389 54.000 -0.050 0.000 0.819 809 D CB 1.323 42.102 40.800 -0.034 0.000 1.401 809 D HN -0.101 nan 8.370 nan 0.000 0.429 810 I N 0.662 121.175 120.570 -0.095 0.000 2.466 810 I HA 0.286 4.461 4.170 0.007 0.000 0.289 810 I C -0.608 175.462 176.117 -0.078 0.000 1.026 810 I CA -0.669 60.570 61.300 -0.101 0.000 1.078 810 I CB 1.824 39.742 38.000 -0.137 0.000 1.249 810 I HN 0.650 nan 8.210 nan 0.000 0.429 811 D N 5.218 125.580 120.400 -0.064 0.000 2.689 811 D HA -0.204 4.440 4.640 0.007 0.000 0.237 811 D C 1.055 177.329 176.300 -0.044 0.000 1.148 811 D CA 1.656 55.626 54.000 -0.049 0.000 0.656 811 D CB -0.622 40.150 40.800 -0.047 0.000 1.050 811 D HN 1.098 nan 8.370 nan 0.000 0.426 812 G N 0.073 108.848 108.800 -0.042 0.000 2.498 812 G HA2 -0.391 3.573 3.960 0.007 0.000 0.229 812 G HA3 -0.391 3.573 3.960 0.007 0.000 0.229 812 G C 0.203 175.079 174.900 -0.039 0.000 1.156 812 G CA 0.648 45.727 45.100 -0.035 0.000 0.680 812 G HN 0.815 nan 8.290 nan 0.000 0.512 813 E N 1.982 122.153 120.200 -0.048 0.000 2.366 813 E HA 0.439 4.794 4.350 0.007 0.000 0.266 813 E C -0.056 176.509 176.600 -0.058 0.000 1.015 813 E CA 0.275 56.644 56.400 -0.053 0.000 0.906 813 E CB 0.248 29.911 29.700 -0.062 0.000 0.979 813 E HN 0.185 nan 8.360 nan 0.000 0.443 814 T N 4.318 118.842 114.554 -0.050 0.000 2.851 814 T HA 0.268 4.623 4.350 0.007 0.000 0.298 814 T C -0.272 174.391 174.700 -0.060 0.000 0.977 814 T CA -0.505 61.567 62.100 -0.047 0.000 1.126 814 T CB 0.661 69.505 68.868 -0.040 0.000 0.916 814 T HN 0.415 nan 8.240 nan 0.000 0.529 815 V N 1.108 120.989 119.914 -0.055 0.000 2.881 815 V HA 1.085 5.210 4.120 0.007 0.000 0.316 815 V C 0.479 176.586 176.094 0.022 0.000 1.070 815 V CA -0.175 62.105 62.300 -0.033 0.000 0.976 815 V CB 1.184 32.941 31.823 -0.110 0.000 1.038 815 V HN 1.140 nan 8.190 nan 0.000 0.446 816 G N 0.937 109.790 108.800 0.090 0.000 2.334 816 G HA2 0.486 4.451 3.960 0.007 0.000 0.249 816 G HA3 0.486 4.451 3.960 0.007 0.000 0.249 816 G C 0.622 175.373 174.900 -0.249 0.000 1.327 816 G CA -0.034 44.974 45.100 -0.153 0.000 0.979 816 G HN 1.696 nan 8.290 nan 0.000 0.471 817 A N -0.686 121.948 122.820 -0.310 0.000 1.944 817 A HA 0.097 4.421 4.320 0.007 0.000 0.222 817 A C 2.382 179.885 177.584 -0.136 0.000 1.237 817 A CA 3.367 55.270 52.037 -0.224 0.000 0.668 817 A CB -0.996 17.892 19.000 -0.186 0.000 0.830 817 A HN 2.266 nan 8.150 nan 0.000 0.471 818 G N -2.250 106.483 108.800 -0.112 0.000 3.502 818 G HA2 0.418 4.382 3.960 0.007 0.000 0.267 818 G HA3 0.418 4.382 3.960 0.007 0.000 0.267 818 G C 0.089 174.957 174.900 -0.054 0.000 1.090 818 G CA 0.858 45.915 45.100 -0.073 0.000 0.795 818 G HN 0.520 nan 8.290 nan 0.000 0.535 819 S N 0.559 116.235 115.700 -0.040 0.000 2.775 819 S HA 0.245 4.719 4.470 0.007 0.000 0.277 819 S C -0.805 173.806 174.600 0.019 0.000 1.156 819 S CA -0.798 57.385 58.200 -0.029 0.000 1.081 819 S CB 0.607 63.778 63.200 -0.049 0.000 1.054 819 S HN 0.202 nan 8.310 nan 0.000 0.482 820 N N 4.962 123.647 118.700 -0.025 0.000 2.411 820 N HA 0.003 4.747 4.740 0.007 0.000 0.282 820 N C 1.191 176.558 175.510 -0.239 0.000 1.322 820 N CA 0.228 53.253 53.050 -0.042 0.000 0.943 820 N CB 0.119 38.544 38.487 -0.103 0.000 1.266 820 N HN 0.834 nan 8.380 nan 0.000 0.486 821 I N 4.536 124.829 120.570 -0.462 0.000 2.361 821 I HA -0.288 3.886 4.170 0.007 0.000 0.251 821 I C 0.817 176.513 176.117 -0.702 0.000 1.133 821 I CA 1.160 61.979 61.300 -0.802 0.000 1.413 821 I CB 0.038 37.083 38.000 -1.592 0.000 1.073 821 I HN 0.498 nan 8.210 nan 0.000 0.424 822 Y N 0.663 120.767 120.300 -0.326 0.000 2.181 822 Y HA -0.260 4.295 4.550 0.007 0.000 0.288 822 Y C 2.737 178.365 175.900 -0.452 0.000 1.146 822 Y CA 1.775 59.733 58.100 -0.236 0.000 1.164 822 Y CB -0.820 37.573 38.460 -0.112 0.000 0.982 822 Y HN 0.147 nan 8.280 nan 0.000 0.515 823 R N 0.216 120.303 120.500 -0.689 0.000 2.062 823 R HA -0.121 4.224 4.340 0.007 0.000 0.231 823 R C 2.117 178.166 176.300 -0.417 0.000 1.136 823 R CA 1.652 57.122 56.100 -1.049 0.000 0.948 823 R CB -0.630 29.025 30.300 -1.076 0.000 0.845 823 R HN 0.181 nan 8.270 nan 0.000 0.430 824 V N 1.798 121.517 119.914 -0.325 0.000 2.252 824 V HA -0.302 3.823 4.120 0.007 0.000 0.249 824 V C 2.476 178.472 176.094 -0.163 0.000 1.056 824 V CA 2.013 64.186 62.300 -0.212 0.000 1.022 824 V CB -0.482 31.210 31.823 -0.218 0.000 0.641 824 V HN 0.371 nan 8.190 nan 0.000 0.445 825 L N -0.214 120.898 121.223 -0.184 0.000 2.079 825 L HA -0.206 4.139 4.340 0.007 0.000 0.210 825 L C 2.726 179.578 176.870 -0.030 0.000 1.081 825 L CA 1.848 56.630 54.840 -0.098 0.000 0.752 825 L CB -0.652 41.366 42.059 -0.069 0.000 0.896 825 L HN 0.398 nan 8.230 nan 0.000 0.433 826 S N -0.052 115.636 115.700 -0.019 0.000 2.370 826 S HA -0.231 4.244 4.470 0.007 0.000 0.226 826 S C 1.699 176.333 174.600 0.056 0.000 1.033 826 S CA 1.575 59.818 58.200 0.072 0.000 1.011 826 S CB -0.163 63.154 63.200 0.197 0.000 0.852 826 S HN 0.482 nan 8.310 nan 0.000 0.457 827 E N -0.202 120.006 120.200 0.013 0.000 2.478 827 E HA 0.003 4.358 4.350 0.007 0.000 0.198 827 E C 1.112 177.714 176.600 0.003 0.000 1.046 827 E CA 0.482 56.890 56.400 0.014 0.000 0.870 827 E CB 0.199 29.894 29.700 -0.009 0.000 0.818 827 E HN 0.292 nan 8.360 nan 0.000 0.527 828 K N -0.161 120.236 120.400 -0.004 0.000 2.402 828 K HA 0.249 4.574 4.320 0.007 0.000 0.204 828 K C 0.114 176.719 176.600 0.008 0.000 1.056 828 K CA -0.129 56.155 56.287 -0.006 0.000 1.069 828 K CB 0.945 33.430 32.500 -0.025 0.000 0.888 828 K HN -0.032 nan 8.250 nan 0.000 0.546 829 A N 0.812 123.646 122.820 0.023 0.000 2.546 829 A HA 0.389 4.713 4.320 0.007 0.000 0.243 829 A C 1.251 178.851 177.584 0.027 0.000 1.063 829 A CA 1.235 53.291 52.037 0.032 0.000 0.757 829 A CB -0.437 18.593 19.000 0.049 0.000 0.991 829 A HN 0.566 nan 8.150 nan 0.000 0.503 830 G N 1.538 110.353 108.800 0.025 0.000 2.143 830 G HA2 -0.076 3.888 3.960 0.007 0.000 0.249 830 G HA3 -0.076 3.888 3.960 0.007 0.000 0.249 830 G C 0.447 175.358 174.900 0.018 0.000 0.981 830 G CA 1.161 46.274 45.100 0.022 0.000 0.665 830 G HN 2.424 nan 8.290 nan 0.000 0.528 831 T N -3.321 111.243 114.554 0.017 0.000 2.716 831 T HA 0.768 5.122 4.350 0.007 0.000 0.286 831 T C -0.355 174.354 174.700 0.014 0.000 1.052 831 T CA 0.252 62.360 62.100 0.014 0.000 1.024 831 T CB 2.059 70.932 68.868 0.008 0.000 1.349 831 T HN 1.065 nan 8.240 nan 0.000 0.525 832 S N -0.381 115.327 115.700 0.013 0.000 2.449 832 S HA 0.751 5.226 4.470 0.007 0.000 0.310 832 S C -0.547 174.053 174.600 -0.001 0.000 1.096 832 S CA -0.419 57.789 58.200 0.014 0.000 1.095 832 S CB 0.155 63.371 63.200 0.028 0.000 1.007 832 S HN 1.168 nan 8.310 nan 0.000 0.474 833 A N 4.053 126.864 122.820 -0.014 0.000 2.413 833 A HA 0.737 5.061 4.320 0.007 0.000 0.307 833 A C -0.392 177.163 177.584 -0.050 0.000 1.087 833 A CA -0.922 51.097 52.037 -0.031 0.000 0.750 833 A CB 1.095 20.070 19.000 -0.041 0.000 1.296 833 A HN 0.879 nan 8.150 nan 0.000 0.423 834 R N 1.646 122.115 120.500 -0.053 0.000 2.267 834 R HA 0.533 4.878 4.340 0.007 0.000 0.319 834 R C -1.356 174.893 176.300 -0.083 0.000 1.067 834 R CA -0.019 56.039 56.100 -0.069 0.000 0.936 834 R CB 0.069 30.338 30.300 -0.051 0.000 1.006 834 R HN 0.620 nan 8.270 nan 0.000 0.452 835 I N 4.570 125.073 120.570 -0.111 0.000 2.389 835 I HA 0.302 4.476 4.170 0.007 0.000 0.288 835 I C -0.243 175.811 176.117 -0.105 0.000 0.999 835 I CA -1.099 60.135 61.300 -0.110 0.000 1.129 835 I CB 1.813 39.738 38.000 -0.125 0.000 1.288 835 I HN 0.511 nan 8.210 nan 0.000 0.444 836 R N 6.826 127.283 120.500 -0.073 0.000 2.221 836 R HA 0.674 5.019 4.340 0.007 0.000 0.327 836 R C -1.524 174.760 176.300 -0.027 0.000 1.033 836 R CA 0.015 56.086 56.100 -0.048 0.000 0.887 836 R CB 0.591 30.874 30.300 -0.029 0.000 1.057 836 R HN 0.594 nan 8.270 nan 0.000 0.455 837 L N 1.884 123.104 121.223 -0.006 0.000 2.271 837 L HA 0.652 4.997 4.340 0.007 0.000 0.265 837 L C -0.497 176.456 176.870 0.138 0.000 1.013 837 L CA -1.016 53.865 54.840 0.068 0.000 0.820 837 L CB 2.510 44.594 42.059 0.041 0.000 1.352 837 L HN 0.638 nan 8.230 nan 0.000 0.443 838 S N -0.652 115.181 115.700 0.220 0.000 2.689 838 S HA 0.579 5.054 4.470 0.007 0.000 0.274 838 S C -0.201 174.297 174.600 -0.170 0.000 1.176 838 S CA -0.605 57.635 58.200 0.067 0.000 1.014 838 S CB 1.742 64.916 63.200 -0.043 0.000 1.071 838 S HN 0.842 nan 8.310 nan 0.000 0.478 839 G N 1.539 109.998 108.800 -0.568 0.000 2.857 839 G HA2 0.616 4.580 3.960 0.007 0.000 0.217 839 G HA3 0.616 4.580 3.960 0.007 0.000 0.217 839 G C -0.318 174.288 174.900 -0.490 0.000 1.357 839 G CA -0.670 43.750 45.100 -1.132 0.000 1.033 839 G HN 0.552 nan 8.290 nan 0.000 0.571 840 K N 0.088 120.243 120.400 -0.410 0.000 2.485 840 K HA 0.457 4.782 4.320 0.007 0.000 0.277 840 K C 0.942 177.452 176.600 -0.150 0.000 0.990 840 K CA 1.234 57.396 56.287 -0.210 0.000 0.994 840 K CB 0.004 32.414 32.500 -0.150 0.000 0.906 840 K HN 1.734 nan 8.250 nan 0.000 0.488 841 G N 2.878 111.615 108.800 -0.106 0.000 2.539 841 G HA2 -0.258 3.707 3.960 0.007 0.000 0.256 841 G HA3 -0.258 3.707 3.960 0.007 0.000 0.256 841 G C 0.599 175.454 174.900 -0.075 0.000 1.233 841 G CA -0.039 45.016 45.100 -0.075 0.000 0.936 841 G HN 1.159 nan 8.290 nan 0.000 0.571 842 G N -0.077 108.691 108.800 -0.052 0.000 3.314 842 G HA2 0.384 4.348 3.960 0.007 0.000 0.238 842 G HA3 0.384 4.348 3.960 0.007 0.000 0.238 842 G C 0.260 175.140 174.900 -0.034 0.000 1.184 842 G CA 1.027 46.102 45.100 -0.042 0.000 0.806 842 G HN 0.744 nan 8.290 nan 0.000 0.536 843 D N 1.490 121.862 120.400 -0.047 0.000 2.412 843 D HA 0.173 4.817 4.640 0.007 0.000 0.257 843 D C 0.085 176.396 176.300 0.017 0.000 1.217 843 D CA 0.573 54.566 54.000 -0.012 0.000 0.897 843 D CB 0.401 41.180 40.800 -0.036 0.000 1.132 843 D HN 0.184 nan 8.370 nan 0.000 0.493 844 K N 4.169 124.600 120.400 0.051 0.000 2.507 844 K HA 0.478 4.802 4.320 0.007 0.000 0.251 844 K C -0.307 176.330 176.600 0.062 0.000 0.943 844 K CA -0.999 55.323 56.287 0.059 0.000 0.794 844 K CB 2.339 34.850 32.500 0.017 0.000 1.188 844 K HN 0.195 nan 8.250 nan 0.000 0.428 845 R N 1.511 122.048 120.500 0.062 0.000 2.711 845 R HA 0.346 4.690 4.340 0.007 0.000 0.284 845 R C -0.940 175.330 176.300 -0.049 0.000 0.968 845 R CA -0.855 55.242 56.100 -0.003 0.000 0.924 845 R CB 1.361 31.630 30.300 -0.053 0.000 1.162 845 R HN 0.636 nan 8.270 nan 0.000 0.465 846 D N 3.044 123.398 120.400 -0.077 0.000 2.364 846 D HA 0.272 4.916 4.640 0.007 0.000 0.251 846 D C -0.896 175.313 176.300 -0.151 0.000 1.282 846 D CA -0.333 53.611 54.000 -0.093 0.000 0.927 846 D CB 0.140 40.910 40.800 -0.049 0.000 1.267 846 D HN 0.432 nan 8.370 nan 0.000 0.531 847 L N -0.331 120.728 121.223 -0.274 0.000 2.322 847 L HA 0.651 4.996 4.340 0.007 0.000 0.269 847 L C 0.398 177.060 176.870 -0.347 0.000 1.012 847 L CA -1.135 53.413 54.840 -0.487 0.000 0.815 847 L CB 1.649 43.034 42.059 -1.124 0.000 1.295 847 L HN -0.003 nan 8.230 nan 0.000 0.438 848 M N 3.240 122.686 119.600 -0.256 0.000 2.151 848 M HA 0.382 4.867 4.480 0.007 0.000 0.349 848 M C -0.620 175.656 176.300 -0.040 0.000 1.284 848 M CA -0.355 54.903 55.300 -0.070 0.000 1.173 848 M CB 0.485 33.115 32.600 0.051 0.000 1.469 848 M HN 0.366 nan 8.290 nan 0.000 0.439 849 I N 2.507 123.034 120.570 -0.071 0.000 2.428 849 I HA 0.237 4.411 4.170 0.007 0.000 0.296 849 I C 0.206 176.339 176.117 0.027 0.000 0.985 849 I CA -0.649 60.642 61.300 -0.016 0.000 1.260 849 I CB 1.129 39.092 38.000 -0.061 0.000 1.389 849 I HN 0.404 nan 8.210 nan 0.000 0.484 850 D N 5.636 126.073 120.400 0.061 0.000 2.336 850 D HA 0.217 4.862 4.640 0.007 0.000 0.249 850 D C 0.145 176.469 176.300 0.041 0.000 1.213 850 D CA -0.178 53.853 54.000 0.052 0.000 0.870 850 D CB 0.936 41.775 40.800 0.065 0.000 1.076 850 D HN 0.096 nan 8.370 nan 0.000 0.483 851 I N 4.113 124.700 120.570 0.028 0.000 2.294 851 I HA 0.093 4.267 4.170 0.007 0.000 0.295 851 I C 0.741 176.878 176.117 0.033 0.000 1.098 851 I CA -0.329 60.988 61.300 0.027 0.000 1.277 851 I CB -0.532 37.477 38.000 0.014 0.000 1.434 851 I HN 0.149 nan 8.210 nan 0.000 0.498 852 L N 5.778 127.024 121.223 0.038 0.000 2.464 852 L HA 0.134 4.478 4.340 0.007 0.000 0.264 852 L C 1.002 177.892 176.870 0.034 0.000 1.199 852 L CA -0.114 54.747 54.840 0.034 0.000 0.818 852 L CB 0.322 42.401 42.059 0.034 0.000 1.102 852 L HN 0.449 nan 8.230 nan 0.000 0.473 853 D N -0.674 119.744 120.400 0.029 0.000 2.347 853 D HA -0.000 4.644 4.640 0.007 0.000 0.213 853 D C -0.302 176.014 176.300 0.026 0.000 0.985 853 D CA 0.817 54.837 54.000 0.033 0.000 0.879 853 D CB 0.314 41.131 40.800 0.029 0.000 0.919 853 D HN 0.525 nan 8.370 nan 0.000 0.526 854 D N -1.024 119.385 120.400 0.015 0.000 2.663 854 D HA 0.161 4.806 4.640 0.007 0.000 0.233 854 D C -1.589 174.704 176.300 -0.012 0.000 1.240 854 D CA -0.714 53.284 54.000 -0.004 0.000 0.774 854 D CB 1.307 42.103 40.800 -0.006 0.000 1.443 854 D HN -0.124 nan 8.370 nan 0.000 0.441 855 D N 1.213 121.584 120.400 -0.049 0.000 2.712 855 D HA 0.093 4.738 4.640 0.007 0.000 0.300 855 D C 1.178 177.405 176.300 -0.120 0.000 1.521 855 D CA -0.330 53.630 54.000 -0.067 0.000 0.790 855 D CB 0.110 40.855 40.800 -0.091 0.000 1.155 855 D HN 0.256 nan 8.370 nan 0.000 0.456 856 R N 0.274 120.716 120.500 -0.098 0.000 2.082 856 R HA -0.082 4.262 4.340 0.007 0.000 0.234 856 R C 1.589 177.838 176.300 -0.084 0.000 1.136 856 R CA 1.528 57.548 56.100 -0.134 0.000 0.935 856 R CB -1.071 29.163 30.300 -0.111 0.000 0.842 856 R HN 0.164 nan 8.270 nan 0.000 0.430 857 F N 0.801 120.679 119.950 -0.120 0.000 2.126 857 F HA -0.120 4.411 4.527 0.008 0.000 0.299 857 F C 1.885 177.673 175.800 -0.020 0.000 1.096 857 F CA 1.663 59.632 58.000 -0.052 0.000 1.255 857 F CB -0.301 38.661 39.000 -0.063 0.000 0.997 857 F HN 0.072 nan 8.300 nan 0.000 0.479 858 I N -0.157 120.337 120.570 -0.126 0.000 2.286 858 I HA -0.306 3.869 4.170 0.007 0.000 0.248 858 I C 2.443 178.435 176.117 -0.210 0.000 1.115 858 I CA 1.353 62.540 61.300 -0.189 0.000 1.392 858 I CB -0.488 37.474 38.000 -0.063 0.000 1.065 858 I HN 0.100 nan 8.210 nan 0.000 0.418 859 R N -0.382 119.974 120.500 -0.241 0.000 2.090 859 R HA -0.178 4.167 4.340 0.007 0.000 0.228 859 R C 2.378 178.564 176.300 -0.191 0.000 1.110 859 R CA 1.359 57.301 56.100 -0.262 0.000 0.973 859 R CB -0.509 29.505 30.300 -0.476 0.000 0.869 859 R HN 0.322 nan 8.270 nan 0.000 0.440 860 Y N 1.733 121.801 120.300 -0.386 0.000 2.114 860 Y HA -0.197 4.358 4.550 0.008 0.000 0.284 860 Y C 2.164 177.919 175.900 -0.242 0.000 1.143 860 Y CA 1.466 59.306 58.100 -0.433 0.000 1.135 860 Y CB 0.015 38.169 38.460 -0.510 0.000 0.980 860 Y HN -0.187 nan 8.280 nan 0.000 0.499 861 R N -0.098 120.058 120.500 -0.573 0.000 2.096 861 R HA -0.151 4.194 4.340 0.007 0.000 0.235 861 R C 2.662 178.759 176.300 -0.340 0.000 1.127 861 R CA 1.201 56.975 56.100 -0.542 0.000 0.968 861 R CB -1.264 28.677 30.300 -0.598 0.000 0.861 861 R HN 0.390 nan 8.270 nan 0.000 0.440 862 S N 0.015 115.580 115.700 -0.224 0.000 2.356 862 S HA -0.183 4.292 4.470 0.007 0.000 0.223 862 S C 1.656 176.210 174.600 -0.077 0.000 1.032 862 S CA 1.318 59.453 58.200 -0.109 0.000 1.005 862 S CB -0.301 62.956 63.200 0.094 0.000 0.867 862 S HN 0.534 nan 8.310 nan 0.000 0.449 863 W N 1.887 123.042 121.300 -0.241 0.000 2.333 863 W HA -0.160 4.505 4.660 0.008 0.000 0.316 863 W C 2.034 178.404 176.519 -0.249 0.000 1.215 863 W CA 1.853 59.069 57.345 -0.214 0.000 1.278 863 W CB -0.856 28.479 29.460 -0.209 0.000 1.154 863 W HN 0.102 nan 8.180 nan 0.000 0.486 864 V N 1.190 120.994 119.914 -0.184 0.000 2.255 864 V HA -0.334 3.790 4.120 0.007 0.000 0.247 864 V C 2.434 178.371 176.094 -0.262 0.000 1.051 864 V CA 2.406 64.555 62.300 -0.251 0.000 1.018 864 V CB -1.068 30.619 31.823 -0.228 0.000 0.641 864 V HN 0.149 nan 8.190 nan 0.000 0.445 865 E N 0.150 120.210 120.200 -0.233 0.000 2.153 865 E HA -0.176 4.179 4.350 0.007 0.000 0.194 865 E C 2.306 178.751 176.600 -0.258 0.000 0.988 865 E CA 1.460 57.736 56.400 -0.206 0.000 0.811 865 E CB -0.516 29.072 29.700 -0.187 0.000 0.746 865 E HN 0.606 nan 8.360 nan 0.000 0.466 866 A N 1.594 124.234 122.820 -0.300 0.000 1.855 866 A HA -0.191 4.134 4.320 0.007 0.000 0.215 866 A C 1.990 179.330 177.584 -0.407 0.000 1.191 866 A CA 1.610 53.467 52.037 -0.299 0.000 0.613 866 A CB -0.820 18.011 19.000 -0.281 0.000 0.829 866 A HN 0.292 nan 8.150 nan 0.000 0.442 867 N N -1.026 117.276 118.700 -0.662 0.000 2.149 867 N HA -0.187 4.558 4.740 0.007 0.000 0.188 867 N C 2.095 177.054 175.510 -0.918 0.000 1.019 867 N CA 1.090 53.607 53.050 -0.889 0.000 0.857 867 N CB -0.168 37.503 38.487 -1.360 0.000 0.997 867 N HN 0.478 nan 8.380 nan 0.000 0.426 868 R N 1.692 121.744 120.500 -0.746 0.000 2.070 868 R HA -0.048 4.296 4.340 0.007 0.000 0.233 868 R C 2.098 178.005 176.300 -0.654 0.000 1.137 868 R CA 1.251 57.002 56.100 -0.582 0.000 0.945 868 R CB 0.006 30.163 30.300 -0.237 0.000 0.845 868 R HN 0.213 nan 8.270 nan 0.000 0.430 869 R N -0.851 119.417 120.500 -0.386 0.000 2.105 869 R HA -0.203 4.141 4.340 0.007 0.000 0.239 869 R C 2.248 178.424 176.300 -0.206 0.000 1.135 869 R CA 1.757 57.718 56.100 -0.231 0.000 0.967 869 R CB -0.561 29.673 30.300 -0.110 0.000 0.861 869 R HN 0.331 nan 8.270 nan 0.000 0.442 870 Y N 1.349 121.443 120.300 -0.344 0.000 2.070 870 Y HA -0.255 4.299 4.550 0.007 0.000 0.280 870 Y C 2.224 177.964 175.900 -0.267 0.000 1.148 870 Y CA 1.491 59.422 58.100 -0.281 0.000 1.125 870 Y CB -0.426 37.838 38.460 -0.327 0.000 0.975 870 Y HN -0.252 nan 8.280 nan 0.000 0.492 871 V N 0.413 120.137 119.914 -0.317 0.000 2.469 871 V HA -0.357 3.767 4.120 0.007 0.000 0.251 871 V C 2.332 178.292 176.094 -0.223 0.000 1.064 871 V CA 2.251 64.374 62.300 -0.296 0.000 1.066 871 V CB -0.824 30.835 31.823 -0.273 0.000 0.667 871 V HN 0.514 nan 8.190 nan 0.000 0.461 872 H N 0.470 119.410 119.070 -0.216 0.000 2.276 872 H HA -0.094 4.467 4.556 0.007 0.000 0.301 872 H C 2.378 177.612 175.328 -0.157 0.000 1.073 872 H CA 1.789 57.737 56.048 -0.167 0.000 1.311 872 H CB -0.479 29.215 29.762 -0.113 0.000 1.379 872 H HN 0.522 nan 8.280 nan 0.000 0.494 873 E N 0.465 120.633 120.200 -0.053 0.000 2.097 873 E HA -0.176 4.178 4.350 0.007 0.000 0.196 873 E C 2.382 178.871 176.600 -0.185 0.000 1.000 873 E CA 0.952 57.282 56.400 -0.116 0.000 0.804 873 E CB 0.020 29.634 29.700 -0.143 0.000 0.740 873 E HN 0.238 nan 8.360 nan 0.000 0.454 874 R N 0.566 120.868 120.500 -0.330 0.000 2.115 874 R HA -0.057 4.287 4.340 0.007 0.000 0.226 874 R C 1.758 177.957 176.300 -0.169 0.000 1.100 874 R CA 1.444 57.353 56.100 -0.317 0.000 0.980 874 R CB 0.040 30.020 30.300 -0.534 0.000 0.875 874 R HN 0.168 nan 8.270 nan 0.000 0.445 875 S N 0.305 115.931 115.700 -0.123 0.000 2.660 875 S HA 0.129 4.603 4.470 0.007 0.000 0.227 875 S C -0.011 174.576 174.600 -0.022 0.000 0.948 875 S CA -0.366 57.801 58.200 -0.055 0.000 0.948 875 S CB 0.359 63.544 63.200 -0.026 0.000 0.779 875 S HN 0.127 nan 8.310 nan 0.000 0.487 876 K N 0.932 121.310 120.400 -0.037 0.000 3.077 876 K HA -0.181 4.143 4.320 0.007 0.000 0.264 876 K C 0.864 177.472 176.600 0.014 0.000 1.008 876 K CA 0.721 56.997 56.287 -0.017 0.000 0.740 876 K CB -2.577 29.913 32.500 -0.017 0.000 1.273 876 K HN 1.327 nan 8.250 nan 0.000 0.477 877 G N -0.236 108.587 108.800 0.039 0.000 2.221 877 G HA2 -0.367 3.597 3.960 0.007 0.000 0.265 877 G HA3 -0.367 3.597 3.960 0.007 0.000 0.265 877 G C 0.544 175.557 174.900 0.189 0.000 1.041 877 G CA 1.432 46.588 45.100 0.093 0.000 0.807 877 G HN 0.793 nan 8.290 nan 0.000 0.502 878 T N -2.851 111.803 114.554 0.166 0.000 3.040 878 T HA 0.638 4.993 4.350 0.007 0.000 0.266 878 T C 0.630 175.470 174.700 0.233 0.000 1.005 878 T CA 0.232 62.453 62.100 0.202 0.000 0.906 878 T CB 0.471 69.392 68.868 0.089 0.000 1.082 878 T HN 0.513 nan 8.240 nan 0.000 0.531 879 I N 1.208 121.852 120.570 0.123 0.000 2.647 879 I HA 0.656 4.830 4.170 0.007 0.000 0.295 879 I C 0.515 176.465 176.117 -0.277 0.000 1.078 879 I CA -1.441 59.863 61.300 0.007 0.000 1.048 879 I CB 2.279 40.286 38.000 0.012 0.000 1.239 879 I HN 0.215 nan 8.210 nan 0.000 0.421 880 G N 3.238 111.886 108.800 -0.254 0.000 2.488 880 G HA2 0.530 4.494 3.960 0.007 0.000 0.318 880 G HA3 0.530 4.494 3.960 0.007 0.000 0.318 880 G C -2.003 172.882 174.900 -0.024 0.000 1.188 880 G CA -0.183 44.726 45.100 -0.318 0.000 0.944 880 G HN 0.503 nan 8.290 nan 0.000 0.495 881 Y N -0.618 119.590 120.300 -0.153 0.000 2.470 881 Y HA 0.686 5.241 4.550 0.007 0.000 0.341 881 Y C -0.941 174.939 175.900 -0.035 0.000 1.021 881 Y CA -1.146 56.892 58.100 -0.103 0.000 1.025 881 Y CB 1.767 40.107 38.460 -0.199 0.000 1.266 881 Y HN 0.453 nan 8.280 nan 0.000 0.448 882 I N 5.881 126.053 120.570 -0.663 0.000 2.692 882 I HA 0.268 4.443 4.170 0.007 0.000 0.293 882 I C -1.592 174.221 176.117 -0.507 0.000 1.200 882 I CA -0.800 60.265 61.300 -0.392 0.000 1.036 882 I CB 2.416 40.347 38.000 -0.115 0.000 1.258 882 I HN 0.642 nan 8.210 nan 0.000 0.421 883 H N 6.686 125.602 119.070 -0.256 0.000 2.600 883 H HA 0.588 5.149 4.556 0.007 0.000 0.357 883 H C -1.686 173.750 175.328 0.181 0.000 1.106 883 H CA -0.609 55.433 56.048 -0.011 0.000 1.193 883 H CB 2.294 32.213 29.762 0.263 0.000 1.594 883 H HN 0.488 nan 8.280 nan 0.000 0.526 884 I N 8.098 128.335 120.570 -0.555 0.000 2.405 884 I HA 0.188 4.362 4.170 0.007 0.000 0.280 884 I C -1.616 174.349 176.117 -0.254 0.000 1.027 884 I CA -2.043 59.095 61.300 -0.270 0.000 1.161 884 I CB 2.146 39.932 38.000 -0.356 0.000 1.300 884 I HN 0.441 nan 8.210 nan 0.000 0.463 885 P HA -0.106 nan 4.420 nan 0.000 0.218 885 P C -0.258 177.120 177.300 0.130 0.000 1.149 885 P CA 1.515 64.802 63.100 0.312 0.000 0.817 885 P CB 0.201 31.911 31.700 0.017 0.000 0.785 886 D N -2.816 117.604 120.400 0.033 0.000 2.779 886 D HA 0.147 4.791 4.640 0.007 0.000 0.331 886 D C -0.224 176.036 176.300 -0.066 0.000 1.331 886 D CA -0.595 53.416 54.000 0.018 0.000 0.866 886 D CB -0.225 40.636 40.800 0.102 0.000 1.409 886 D HN -0.329 nan 8.370 nan 0.000 0.486 887 M N 0.756 120.315 119.600 -0.068 0.000 2.869 887 M HA 0.485 4.969 4.480 0.007 0.000 0.338 887 M C 0.449 176.587 176.300 -0.270 0.000 1.227 887 M CA -0.278 54.911 55.300 -0.185 0.000 0.946 887 M CB -0.029 32.477 32.600 -0.157 0.000 1.299 887 M HN 0.588 nan 8.290 nan 0.000 0.518 888 G N -0.165 108.508 108.800 -0.211 0.000 3.119 888 G HA2 0.509 4.473 3.960 0.007 0.000 0.206 888 G HA3 0.509 4.473 3.960 0.007 0.000 0.206 888 G C 0.853 175.457 174.900 -0.493 0.000 1.313 888 G CA -0.343 44.460 45.100 -0.495 0.000 1.010 888 G HN 0.106 nan 8.290 nan 0.000 0.578 889 M N -0.172 119.039 119.600 -0.649 0.000 2.117 889 M HA -0.016 4.469 4.480 0.007 0.000 0.262 889 M C 2.452 178.802 176.300 0.083 0.000 1.065 889 M CA 1.352 56.519 55.300 -0.222 0.000 1.114 889 M CB -1.168 31.341 32.600 -0.152 0.000 1.361 889 M HN 0.625 nan 8.290 nan 0.000 0.408 890 M N 0.045 119.774 119.600 0.215 0.000 2.117 890 M HA -0.115 4.369 4.480 0.007 0.000 0.262 890 M C 2.002 178.394 176.300 0.155 0.000 1.065 890 M CA 2.082 57.520 55.300 0.230 0.000 1.114 890 M CB -0.543 32.120 32.600 0.105 0.000 1.361 890 M HN 0.281 nan 8.290 nan 0.000 0.408 891 G N 0.819 109.661 108.800 0.070 0.000 2.459 891 G HA2 -0.254 3.710 3.960 0.007 0.000 0.217 891 G HA3 -0.254 3.710 3.960 0.007 0.000 0.217 891 G C 1.282 176.209 174.900 0.045 0.000 1.183 891 G CA 0.908 46.021 45.100 0.021 0.000 0.776 891 G HN 0.413 nan 8.290 nan 0.000 0.552 892 L N 1.228 122.455 121.223 0.006 0.000 2.043 892 L HA -0.089 4.255 4.340 0.007 0.000 0.212 892 L C 2.523 179.559 176.870 0.277 0.000 1.075 892 L CA 1.551 56.452 54.840 0.102 0.000 0.752 892 L CB -0.634 41.456 42.059 0.051 0.000 0.891 892 L HN 0.166 nan 8.230 nan 0.000 0.432 893 N N -0.496 118.341 118.700 0.228 0.000 2.058 893 N HA -0.165 4.579 4.740 0.007 0.000 0.191 893 N C 1.650 177.320 175.510 0.268 0.000 1.037 893 N CA 1.461 54.663 53.050 0.254 0.000 0.848 893 N CB -0.201 38.424 38.487 0.230 0.000 1.021 893 N HN 0.364 nan 8.380 nan 0.000 0.422 894 E N 0.616 120.980 120.200 0.272 0.000 2.110 894 E HA -0.134 4.221 4.350 0.007 0.000 0.193 894 E C 1.861 178.587 176.600 0.209 0.000 0.988 894 E CA 0.379 56.954 56.400 0.292 0.000 0.804 894 E CB -0.697 29.242 29.700 0.399 0.000 0.745 894 E HN 0.409 nan 8.360 nan 0.000 0.458 895 F N 0.710 120.666 119.950 0.009 0.000 2.051 895 F HA -0.278 4.253 4.527 0.007 0.000 0.296 895 F C 2.169 177.920 175.800 -0.082 0.000 1.122 895 F CA 1.590 59.503 58.000 -0.145 0.000 1.201 895 F CB -0.399 38.357 39.000 -0.407 0.000 0.978 895 F HN -0.043 nan 8.300 nan 0.000 0.472 896 Y N 0.042 120.362 120.300 0.032 0.000 2.352 896 Y HA -0.151 4.403 4.550 0.007 0.000 0.292 896 Y C 2.610 178.524 175.900 0.024 0.000 1.136 896 Y CA 1.292 59.388 58.100 -0.007 0.000 1.227 896 Y CB -0.526 37.992 38.460 0.096 0.000 0.991 896 Y HN 0.052 nan 8.280 nan 0.000 0.545 897 R N 0.100 120.710 120.500 0.184 0.000 2.105 897 R HA -0.191 4.153 4.340 0.007 0.000 0.239 897 R C 1.104 177.455 176.300 0.085 0.000 1.135 897 R CA 1.693 57.877 56.100 0.141 0.000 0.967 897 R CB -0.182 30.216 30.300 0.162 0.000 0.861 897 R HN 0.298 nan 8.270 nan 0.000 0.442 898 L N -1.430 119.817 121.223 0.039 0.000 2.642 898 L HA 0.123 4.468 4.340 0.007 0.000 0.233 898 L C 1.504 178.347 176.870 -0.046 0.000 1.077 898 L CA 0.312 55.158 54.840 0.010 0.000 0.879 898 L CB -0.337 41.731 42.059 0.014 0.000 1.151 898 L HN 0.073 nan 8.230 nan 0.000 0.495 899 F N 1.786 121.542 119.950 -0.323 0.000 2.236 899 F HA -0.223 4.309 4.527 0.007 0.000 0.302 899 F C 2.093 177.805 175.800 -0.147 0.000 1.073 899 F CA 1.823 59.571 58.000 -0.420 0.000 1.336 899 F CB -0.140 38.272 39.000 -0.980 0.000 1.040 899 F HN 0.183 nan 8.300 nan 0.000 0.507 900 I N -2.322 118.164 120.570 -0.139 0.000 3.428 900 I HA -0.029 4.146 4.170 0.007 0.000 0.286 900 I C 0.864 176.911 176.117 -0.117 0.000 1.287 900 I CA 0.936 62.149 61.300 -0.145 0.000 1.396 900 I CB -0.480 37.530 38.000 0.017 0.000 1.062 900 I HN 0.098 nan 8.210 nan 0.000 0.471 901 N N 0.718 119.376 118.700 -0.070 0.000 2.239 901 N HA 0.062 4.806 4.740 0.007 0.000 0.208 901 N C 1.044 176.629 175.510 0.126 0.000 1.200 901 N CA 0.221 53.283 53.050 0.021 0.000 0.895 901 N CB 0.518 39.046 38.487 0.068 0.000 1.085 901 N HN 0.407 nan 8.380 nan 0.000 0.500 902 E N 0.490 120.724 120.200 0.058 0.000 2.473 902 E HA 0.090 4.445 4.350 0.007 0.000 0.204 902 E C 1.427 178.105 176.600 0.130 0.000 0.994 902 E CA 0.211 56.701 56.400 0.151 0.000 0.945 902 E CB 0.266 29.986 29.700 0.034 0.000 0.990 902 E HN 0.233 nan 8.360 nan 0.000 0.493 903 S N 0.199 115.829 115.700 -0.117 0.000 2.481 903 S HA 0.017 4.492 4.470 0.007 0.000 0.231 903 S C 1.550 176.139 174.600 -0.018 0.000 0.996 903 S CA 0.369 58.466 58.200 -0.172 0.000 0.942 903 S CB -0.035 62.744 63.200 -0.701 0.000 0.768 903 S HN -0.094 nan 8.310 nan 0.000 0.520 904 S N 1.050 116.764 115.700 0.022 0.000 2.506 904 S HA 0.445 4.920 4.470 0.007 0.000 0.245 904 S C -0.871 173.700 174.600 -0.049 0.000 1.088 904 S CA -0.677 57.517 58.200 -0.011 0.000 1.099 904 S CB -0.229 62.924 63.200 -0.078 0.000 0.805 904 S HN 0.493 nan 8.310 nan 0.000 0.461 905 Y N 1.487 121.784 120.300 -0.005 0.000 2.545 905 Y HA 0.300 4.855 4.550 0.007 0.000 0.324 905 Y C 1.816 177.729 175.900 0.021 0.000 1.220 905 Y CA -0.869 57.233 58.100 0.004 0.000 1.290 905 Y CB 0.547 39.019 38.460 0.020 0.000 1.355 905 Y HN 0.030 nan 8.280 nan 0.000 0.516 906 Q N 0.520 120.431 119.800 0.186 0.000 2.096 906 Q HA -0.021 4.323 4.340 0.007 0.000 0.204 906 Q C 0.391 176.464 176.000 0.122 0.000 0.982 906 Q CA 1.356 57.228 55.803 0.115 0.000 0.850 906 Q CB -0.070 28.719 28.738 0.086 0.000 0.901 906 Q HN 0.823 nan 8.270 nan 0.000 0.422 907 G N -0.369 108.520 108.800 0.147 0.000 2.605 907 G HA2 0.553 4.518 3.960 0.007 0.000 0.296 907 G HA3 0.553 4.518 3.960 0.007 0.000 0.296 907 G C -2.029 172.948 174.900 0.128 0.000 1.304 907 G CA -0.540 44.631 45.100 0.118 0.000 0.941 907 G HN 0.031 nan 8.290 nan 0.000 0.475 908 L N 0.318 121.616 121.223 0.125 0.000 2.408 908 L HA 0.720 5.064 4.340 0.007 0.000 0.268 908 L C -1.062 175.881 176.870 0.122 0.000 0.986 908 L CA -0.780 54.134 54.840 0.123 0.000 0.820 908 L CB 1.915 44.070 42.059 0.160 0.000 1.303 908 L HN 0.459 nan 8.230 nan 0.000 0.411 909 I N 5.477 126.106 120.570 0.098 0.000 2.355 909 I HA 0.338 4.513 4.170 0.007 0.000 0.288 909 I C -0.601 175.518 176.117 0.003 0.000 0.999 909 I CA -0.801 60.554 61.300 0.092 0.000 1.163 909 I CB 1.822 39.927 38.000 0.174 0.000 1.316 909 I HN 0.262 nan 8.210 nan 0.000 0.454 910 V N 5.054 124.970 119.914 0.002 0.000 2.184 910 V HA 0.084 4.209 4.120 0.007 0.000 0.262 910 V C 0.132 176.169 176.094 -0.096 0.000 1.209 910 V CA -0.439 61.838 62.300 -0.037 0.000 1.070 910 V CB 0.405 32.269 31.823 0.068 0.000 1.244 910 V HN 0.630 nan 8.190 nan 0.000 0.477 911 D N 3.310 123.627 120.400 -0.138 0.000 2.363 911 D HA 0.055 4.700 4.640 0.007 0.000 0.263 911 D C 0.778 177.020 176.300 -0.096 0.000 1.258 911 D CA 0.225 54.234 54.000 0.015 0.000 0.907 911 D CB 1.588 42.530 40.800 0.236 0.000 1.107 911 D HN 0.423 nan 8.370 nan 0.000 0.495 912 V N 1.879 121.738 119.914 -0.092 0.000 3.085 912 V HA 0.367 4.492 4.120 0.007 0.000 0.345 912 V C 0.772 176.824 176.094 -0.070 0.000 1.397 912 V CA -0.713 61.448 62.300 -0.232 0.000 1.165 912 V CB -0.562 31.056 31.823 -0.341 0.000 1.153 912 V HN 0.252 nan 8.190 nan 0.000 0.495 913 R N 0.174 120.728 120.500 0.090 0.000 2.679 913 R HA 0.361 4.706 4.340 0.007 0.000 0.268 913 R C 0.307 176.639 176.300 0.053 0.000 1.044 913 R CA 0.628 56.730 56.100 0.003 0.000 1.105 913 R CB -0.082 30.236 30.300 0.030 0.000 0.989 913 R HN 0.453 nan 8.270 nan 0.000 0.447 914 F N -1.513 118.420 119.950 -0.028 0.000 2.914 914 F HA -0.337 4.194 4.527 0.007 0.000 0.304 914 F C 0.717 176.532 175.800 0.026 0.000 0.712 914 F CA 0.418 58.368 58.000 -0.084 0.000 1.211 914 F CB -1.291 37.340 39.000 -0.615 0.000 1.515 914 F HN 0.614 nan 8.300 nan 0.000 0.350 915 N N 1.784 120.558 118.700 0.124 0.000 2.434 915 N HA 0.108 4.853 4.740 0.007 0.000 0.268 915 N C 1.197 176.746 175.510 0.065 0.000 1.256 915 N CA 1.059 54.152 53.050 0.072 0.000 0.914 915 N CB 1.170 39.629 38.487 -0.048 0.000 1.088 915 N HN 0.383 nan 8.380 nan 0.000 0.478 916 G N 2.129 110.974 108.800 0.076 0.000 2.956 916 G HA2 0.282 4.246 3.960 0.007 0.000 0.207 916 G HA3 0.282 4.246 3.960 0.007 0.000 0.207 916 G C 0.797 175.722 174.900 0.041 0.000 1.162 916 G CA 0.420 45.541 45.100 0.035 0.000 0.796 916 G HN 0.987 nan 8.290 nan 0.000 0.527 917 G N -1.706 107.131 108.800 0.062 0.000 2.782 917 G HA2 0.388 4.352 3.960 0.007 0.000 0.228 917 G HA3 0.388 4.352 3.960 0.007 0.000 0.228 917 G C 0.484 175.459 174.900 0.124 0.000 1.372 917 G CA 0.079 45.243 45.100 0.108 0.000 0.862 917 G HN 1.756 nan 8.290 nan 0.000 0.547 918 G N -2.823 106.080 108.800 0.170 0.000 2.198 918 G HA2 0.601 4.566 3.960 0.007 0.000 0.057 918 G HA3 0.601 4.566 3.960 0.007 0.000 0.057 918 G C 0.429 175.523 174.900 0.322 0.000 0.803 918 G CA 1.246 46.503 45.100 0.262 0.000 1.140 918 G HN 2.454 nan 8.290 nan 0.000 0.405 919 F N -1.124 118.813 119.950 -0.023 0.000 3.187 919 F HA 0.305 4.837 4.527 0.008 0.000 0.398 919 F C 1.131 176.882 175.800 -0.082 0.000 1.110 919 F CA 0.912 58.875 58.000 -0.063 0.000 0.900 919 F CB -0.420 38.542 39.000 -0.064 0.000 1.578 919 F HN 0.902 nan 8.300 nan 0.000 0.511 920 V N 0.145 119.569 119.914 -0.817 0.000 3.499 920 V HA 0.234 4.358 4.120 0.007 0.000 0.308 920 V C 1.970 177.866 176.094 -0.329 0.000 1.319 920 V CA 0.829 62.742 62.300 -0.646 0.000 1.194 920 V CB -1.012 30.358 31.823 -0.755 0.000 1.072 920 V HN 0.480 nan 8.190 nan 0.000 0.426 921 S N 1.780 117.360 115.700 -0.200 0.000 2.356 921 S HA -0.338 4.137 4.470 0.007 0.000 0.223 921 S C 1.961 176.548 174.600 -0.022 0.000 1.032 921 S CA 1.637 59.799 58.200 -0.063 0.000 1.005 921 S CB -0.736 62.505 63.200 0.069 0.000 0.867 921 S HN 0.882 nan 8.310 nan 0.000 0.449 922 Q N 1.569 121.349 119.800 -0.033 0.000 2.112 922 Q HA -0.130 4.215 4.340 0.007 0.000 0.206 922 Q C 2.245 178.223 176.000 -0.037 0.000 0.987 922 Q CA 1.792 57.591 55.803 -0.007 0.000 0.858 922 Q CB -0.909 27.833 28.738 0.006 0.000 0.905 922 Q HN 0.601 nan 8.270 nan 0.000 0.420 923 L N 0.068 121.240 121.223 -0.085 0.000 2.093 923 L HA -0.107 4.237 4.340 0.007 0.000 0.208 923 L C 2.513 179.281 176.870 -0.169 0.000 1.085 923 L CA 0.886 55.671 54.840 -0.091 0.000 0.755 923 L CB -0.387 41.614 42.059 -0.097 0.000 0.904 923 L HN 0.267 nan 8.230 nan 0.000 0.435 924 I N -0.593 119.797 120.570 -0.301 0.000 2.406 924 I HA -0.227 3.947 4.170 0.007 0.000 0.249 924 I C 2.440 178.367 176.117 -0.316 0.000 1.122 924 I CA 0.680 61.619 61.300 -0.602 0.000 1.431 924 I CB -0.037 37.456 38.000 -0.846 0.000 1.087 924 I HN 0.149 nan 8.210 nan 0.000 0.424 925 I N 0.939 121.459 120.570 -0.083 0.000 2.142 925 I HA -0.307 3.867 4.170 0.007 0.000 0.240 925 I C 2.563 178.667 176.117 -0.022 0.000 1.078 925 I CA 1.647 62.945 61.300 -0.003 0.000 1.343 925 I CB -1.122 36.886 38.000 0.013 0.000 1.046 925 I HN 0.394 nan 8.210 nan 0.000 0.405 926 E N 1.028 121.213 120.200 -0.024 0.000 2.147 926 E HA -0.312 4.043 4.350 0.007 0.000 0.199 926 E C 2.058 178.660 176.600 0.003 0.000 1.005 926 E CA 1.762 58.161 56.400 -0.001 0.000 0.810 926 E CB 0.132 29.838 29.700 0.010 0.000 0.736 926 E HN 0.215 nan 8.360 nan 0.000 0.460 927 K N 0.419 120.799 120.400 -0.033 0.000 1.973 927 K HA -0.028 4.296 4.320 0.007 0.000 0.210 927 K C 2.101 178.739 176.600 0.063 0.000 1.045 927 K CA 1.263 57.545 56.287 -0.009 0.000 0.937 927 K CB -0.390 32.026 32.500 -0.140 0.000 0.721 927 K HN 0.151 nan 8.250 nan 0.000 0.438 928 L N 0.412 121.677 121.223 0.071 0.000 2.261 928 L HA -0.147 4.197 4.340 0.007 0.000 0.216 928 L C 2.257 179.185 176.870 0.098 0.000 1.114 928 L CA 0.607 55.545 54.840 0.164 0.000 0.777 928 L CB -0.388 41.796 42.059 0.208 0.000 0.910 928 L HN 0.286 nan 8.230 nan 0.000 0.440 929 M N -0.292 119.335 119.600 0.045 0.000 2.374 929 M HA -0.084 4.401 4.480 0.007 0.000 0.264 929 M C 0.514 176.829 176.300 0.024 0.000 1.067 929 M CA 0.866 56.173 55.300 0.013 0.000 1.103 929 M CB -1.075 31.528 32.600 0.004 0.000 1.402 929 M HN 0.323 nan 8.290 nan 0.000 0.444 930 N N 1.449 120.179 118.700 0.050 0.000 2.492 930 N HA 0.025 4.770 4.740 0.007 0.000 0.262 930 N C -0.127 175.404 175.510 0.035 0.000 1.202 930 N CA 0.287 53.359 53.050 0.037 0.000 0.926 930 N CB 0.698 39.216 38.487 0.052 0.000 1.078 930 N HN 0.091 nan 8.380 nan 0.000 0.454 931 K N 1.938 122.344 120.400 0.010 0.000 2.292 931 K HA 0.217 4.542 4.320 0.007 0.000 0.257 931 K C -0.673 175.921 176.600 -0.009 0.000 0.940 931 K CA -0.772 55.521 56.287 0.010 0.000 0.811 931 K CB 1.321 33.826 32.500 0.009 0.000 1.120 931 K HN 0.417 nan 8.250 nan 0.000 0.428 932 R N 5.160 125.651 120.500 -0.015 0.000 2.351 932 R HA 0.099 4.443 4.340 0.007 0.000 0.318 932 R C 0.724 176.992 176.300 -0.053 0.000 1.055 932 R CA 0.253 56.314 56.100 -0.066 0.000 0.968 932 R CB 0.028 30.281 30.300 -0.078 0.000 0.974 932 R HN 0.732 nan 8.270 nan 0.000 0.439 933 I N 0.707 121.262 120.570 -0.026 0.000 4.240 933 I HA 0.503 4.677 4.170 0.007 0.000 0.331 933 I C 0.350 176.462 176.117 -0.008 0.000 1.381 933 I CA -0.417 60.891 61.300 0.014 0.000 1.136 933 I CB 1.133 39.177 38.000 0.072 0.000 1.137 933 I HN 0.589 nan 8.210 nan 0.000 0.411 934 G N 0.097 108.830 108.800 -0.112 0.000 2.550 934 G HA2 0.606 4.571 3.960 0.007 0.000 0.293 934 G HA3 0.606 4.571 3.960 0.007 0.000 0.293 934 G C -2.237 172.425 174.900 -0.396 0.000 1.402 934 G CA -0.533 44.485 45.100 -0.138 0.000 0.784 934 G HN 0.074 nan 8.290 nan 0.000 0.482 935 Y N -1.050 119.286 120.300 0.060 0.000 2.625 935 Y HA 0.568 5.123 4.550 0.007 0.000 0.338 935 Y C -1.122 174.795 175.900 0.028 0.000 1.123 935 Y CA -0.801 57.333 58.100 0.057 0.000 1.046 935 Y CB 2.859 41.339 38.460 0.034 0.000 1.299 935 Y HN 0.404 nan 8.280 nan 0.000 0.464 936 D N 1.131 121.669 120.400 0.230 0.000 2.408 936 D HA 0.294 4.939 4.640 0.007 0.000 0.243 936 D C -1.513 174.848 176.300 0.101 0.000 1.075 936 D CA -0.585 53.488 54.000 0.121 0.000 0.832 936 D CB 0.930 41.793 40.800 0.104 0.000 1.162 936 D HN 0.449 nan 8.370 nan 0.000 0.515 937 N N 3.440 122.177 118.700 0.062 0.000 2.439 937 N HA 0.393 5.137 4.740 0.007 0.000 0.249 937 N C -2.171 173.353 175.510 0.023 0.000 1.003 937 N CA -0.943 52.128 53.050 0.034 0.000 0.942 937 N CB 1.280 39.779 38.487 0.020 0.000 1.115 937 N HN 0.221 nan 8.380 nan 0.000 0.505 938 P HA 0.347 nan 4.420 nan 0.000 0.285 938 P C 0.323 177.626 177.300 0.005 0.000 1.269 938 P CA -0.587 62.522 63.100 0.014 0.000 0.844 938 P CB 1.953 33.663 31.700 0.016 0.000 1.094 939 R N 1.477 121.980 120.500 0.005 0.000 2.115 939 R HA -0.042 4.303 4.340 0.007 0.000 0.230 939 R C 0.740 177.039 176.300 -0.002 0.000 1.111 939 R CA 1.327 57.427 56.100 0.001 0.000 0.976 939 R CB -0.145 30.157 30.300 0.002 0.000 0.870 939 R HN 0.619 nan 8.270 nan 0.000 0.445 940 R N -1.335 119.164 120.500 -0.000 0.000 2.564 940 R HA 0.632 4.977 4.340 0.007 0.000 0.284 940 R C -0.578 175.720 176.300 -0.002 0.000 1.031 940 R CA -0.482 55.616 56.100 -0.003 0.000 0.904 940 R CB 1.667 31.965 30.300 -0.002 0.000 1.199 940 R HN 0.206 nan 8.270 nan 0.000 0.443 941 G N 1.076 109.871 108.800 -0.007 0.000 2.362 941 G HA2 -0.030 3.934 3.960 0.007 0.000 0.517 941 G HA3 -0.030 3.934 3.960 0.007 0.000 0.517 941 G C -0.643 174.249 174.900 -0.013 0.000 1.256 941 G CA -0.426 44.670 45.100 -0.007 0.000 1.027 941 G HN 0.993 nan 8.290 nan 0.000 0.491 942 T N -1.515 113.032 114.554 -0.012 0.000 2.937 942 T HA 0.756 5.110 4.350 0.007 0.000 0.283 942 T C 0.889 175.586 174.700 -0.005 0.000 1.012 942 T CA -0.636 61.451 62.100 -0.022 0.000 0.997 942 T CB 1.325 70.174 68.868 -0.031 0.000 1.136 942 T HN 0.891 nan 8.240 nan 0.000 0.551 943 L N 1.345 122.554 121.223 -0.022 0.000 2.483 943 L HA 0.305 4.650 4.340 0.007 0.000 0.275 943 L C 0.412 177.350 176.870 0.113 0.000 1.220 943 L CA -0.244 54.609 54.840 0.022 0.000 0.833 943 L CB 0.605 42.599 42.059 -0.108 0.000 1.102 943 L HN 0.723 nan 8.230 nan 0.000 0.490 944 S N 2.588 118.407 115.700 0.198 0.000 2.566 944 S HA 0.375 4.849 4.470 0.007 0.000 0.324 944 S C -2.361 172.399 174.600 0.268 0.000 1.081 944 S CA -1.100 57.213 58.200 0.188 0.000 1.105 944 S CB 1.562 64.840 63.200 0.130 0.000 0.981 944 S HN 0.387 nan 8.310 nan 0.000 0.464 945 P HA 0.149 nan 4.420 nan 0.000 0.275 945 P C -1.344 175.960 177.300 0.007 0.000 1.227 945 P CA -0.286 62.827 63.100 0.021 0.000 0.781 945 P CB 0.464 32.200 31.700 0.059 0.000 0.906 946 Y N 4.782 124.951 120.300 -0.218 0.000 2.326 946 Y HA 0.457 5.012 4.550 0.007 0.000 0.331 946 Y C -2.575 173.257 175.900 -0.112 0.000 0.962 946 Y CA -2.638 55.395 58.100 -0.112 0.000 1.167 946 Y CB 1.604 40.009 38.460 -0.091 0.000 1.148 946 Y HN 0.289 nan 8.280 nan 0.000 0.463 947 P HA 0.194 nan 4.420 nan 0.000 0.274 947 P C 0.398 177.598 177.300 -0.165 0.000 1.256 947 P CA -0.029 62.760 63.100 -0.520 0.000 0.795 947 P CB 1.017 32.480 31.700 -0.396 0.000 1.038 948 T N -0.818 113.686 114.554 -0.084 0.000 2.737 948 T HA -0.096 4.259 4.350 0.007 0.000 0.265 948 T C 0.762 175.497 174.700 0.058 0.000 1.038 948 T CA 1.552 63.658 62.100 0.009 0.000 1.144 948 T CB -0.982 67.908 68.868 0.036 0.000 0.866 948 T HN 0.456 nan 8.240 nan 0.000 0.434 949 N N 2.101 120.873 118.700 0.121 0.000 2.509 949 N HA 0.126 4.870 4.740 0.007 0.000 0.239 949 N C -0.406 175.295 175.510 0.319 0.000 1.215 949 N CA -0.277 52.968 53.050 0.327 0.000 0.882 949 N CB 0.106 38.798 38.487 0.343 0.000 1.189 949 N HN 0.321 nan 8.380 nan 0.000 0.490 950 S N -1.338 114.455 115.700 0.156 0.000 2.489 950 S HA 0.452 4.926 4.470 0.007 0.000 0.291 950 S C 0.037 174.715 174.600 0.131 0.000 1.151 950 S CA -0.919 57.355 58.200 0.122 0.000 1.082 950 S CB 1.518 64.724 63.200 0.011 0.000 1.019 950 S HN -0.115 nan 8.310 nan 0.000 0.492 951 V N 4.615 124.634 119.914 0.174 0.000 2.555 951 V HA 0.251 4.376 4.120 0.007 0.000 0.286 951 V C 1.925 178.078 176.094 0.097 0.000 1.044 951 V CA -0.356 62.036 62.300 0.154 0.000 1.026 951 V CB 0.753 32.700 31.823 0.208 0.000 0.981 951 V HN 1.074 nan 8.190 nan 0.000 0.480 952 R N 3.001 123.551 120.500 0.083 0.000 2.073 952 R HA -0.026 4.319 4.340 0.007 0.000 0.234 952 R C 1.144 177.496 176.300 0.087 0.000 1.134 952 R CA 1.683 57.833 56.100 0.084 0.000 0.952 952 R CB -0.062 30.287 30.300 0.081 0.000 0.850 952 R HN 0.897 nan 8.270 nan 0.000 0.433 953 G N -0.391 108.466 108.800 0.094 0.000 3.366 953 G HA2 0.235 4.200 3.960 0.007 0.000 0.179 953 G HA3 0.235 4.200 3.960 0.007 0.000 0.179 953 G C -1.146 173.803 174.900 0.083 0.000 1.143 953 G CA -0.608 44.542 45.100 0.083 0.000 0.810 953 G HN -0.037 nan 8.290 nan 0.000 0.697 954 K N 0.828 121.276 120.400 0.080 0.000 2.249 954 K HA 0.495 4.819 4.320 0.007 0.000 0.280 954 K C -0.416 176.252 176.600 0.114 0.000 1.033 954 K CA 0.016 56.350 56.287 0.078 0.000 0.946 954 K CB 1.452 33.988 32.500 0.060 0.000 1.005 954 K HN 0.322 nan 8.250 nan 0.000 0.469 955 I N 2.801 123.455 120.570 0.141 0.000 2.648 955 I HA 0.507 4.682 4.170 0.007 0.000 0.304 955 I C -0.110 176.181 176.117 0.291 0.000 1.009 955 I CA -1.145 60.293 61.300 0.230 0.000 1.114 955 I CB 1.697 39.887 38.000 0.317 0.000 1.293 955 I HN 0.440 nan 8.210 nan 0.000 0.449 956 I N 3.335 124.067 120.570 0.269 0.000 2.644 956 I HA 0.635 4.810 4.170 0.007 0.000 0.291 956 I C -0.984 175.166 176.117 0.054 0.000 1.180 956 I CA -0.285 61.147 61.300 0.219 0.000 1.040 956 I CB 1.676 39.751 38.000 0.124 0.000 1.255 956 I HN 0.710 nan 8.210 nan 0.000 0.422 957 A N 7.958 130.698 122.820 -0.134 0.000 2.312 957 A HA 0.821 5.146 4.320 0.007 0.000 0.326 957 A C -0.872 176.659 177.584 -0.087 0.000 1.172 957 A CA -0.533 51.307 52.037 -0.327 0.000 0.821 957 A CB 0.776 19.195 19.000 -0.969 0.000 1.166 957 A HN 0.636 nan 8.150 nan 0.000 0.493 958 I N 1.173 121.730 120.570 -0.022 0.000 2.441 958 I HA 0.558 4.732 4.170 0.007 0.000 0.295 958 I C 0.086 176.227 176.117 0.038 0.000 0.994 958 I CA -0.272 61.060 61.300 0.054 0.000 1.144 958 I CB 2.250 40.327 38.000 0.129 0.000 1.314 958 I HN 0.629 nan 8.210 nan 0.000 0.445 959 T N 4.501 119.074 114.554 0.032 0.000 2.956 959 T HA 0.481 4.835 4.350 0.007 0.000 0.312 959 T C -1.131 173.552 174.700 -0.029 0.000 1.151 959 T CA -0.699 61.405 62.100 0.008 0.000 1.024 959 T CB 1.351 70.236 68.868 0.028 0.000 1.140 959 T HN 0.816 nan 8.240 nan 0.000 0.473 960 N N 1.799 120.438 118.700 -0.101 0.000 3.002 960 N HA 0.355 5.099 4.740 0.007 0.000 0.331 960 N C 0.850 176.242 175.510 -0.198 0.000 1.384 960 N CA -0.751 52.199 53.050 -0.166 0.000 0.780 960 N CB 0.388 38.712 38.487 -0.272 0.000 1.492 960 N HN 0.613 nan 8.380 nan 0.000 0.608 961 E N -0.701 119.301 120.200 -0.330 0.000 2.478 961 E HA -0.145 4.209 4.350 0.007 0.000 0.198 961 E C -0.007 176.376 176.600 -0.363 0.000 1.046 961 E CA 0.880 57.085 56.400 -0.324 0.000 0.870 961 E CB -0.532 28.930 29.700 -0.397 0.000 0.818 961 E HN 0.726 nan 8.360 nan 0.000 0.527 962 Y N 1.122 121.338 120.300 -0.139 0.000 2.495 962 Y HA 0.392 4.947 4.550 0.007 0.000 0.293 962 Y C 0.844 176.678 175.900 -0.110 0.000 1.186 962 Y CA -0.089 57.931 58.100 -0.134 0.000 1.266 962 Y CB 0.619 38.933 38.460 -0.243 0.000 1.101 962 Y HN 0.059 nan 8.280 nan 0.000 0.517 963 A N 0.502 123.330 122.820 0.014 0.000 2.291 963 A HA 0.782 5.106 4.320 0.007 0.000 0.311 963 A C 0.287 177.965 177.584 0.156 0.000 1.224 963 A CA -0.091 51.978 52.037 0.054 0.000 0.821 963 A CB 0.314 19.330 19.000 0.026 0.000 1.172 963 A HN 0.323 nan 8.150 nan 0.000 0.494 964 G N 0.115 109.012 108.800 0.162 0.000 3.086 964 G HA2 0.626 4.590 3.960 0.007 0.000 0.282 964 G HA3 0.626 4.590 3.960 0.007 0.000 0.282 964 G C 0.229 175.376 174.900 0.413 0.000 1.343 964 G CA 0.342 45.698 45.100 0.426 0.000 0.895 964 G HN 1.420 nan 8.290 nan 0.000 0.557 965 S N -0.791 115.339 115.700 0.717 0.000 4.112 965 S HA -0.327 4.147 4.470 0.007 0.000 0.602 965 S C 1.464 176.236 174.600 0.288 0.000 1.939 965 S CA 1.978 60.516 58.200 0.564 0.000 4.230 965 S CB -1.373 62.147 63.200 0.533 0.000 0.245 965 S HN 0.912 nan 8.310 nan 0.000 0.530 966 D N 1.113 121.628 120.400 0.192 0.000 2.221 966 D HA 0.002 4.646 4.640 0.007 0.000 0.204 966 D C 1.881 178.259 176.300 0.131 0.000 0.982 966 D CA 1.820 55.869 54.000 0.083 0.000 0.857 966 D CB -0.896 39.931 40.800 0.046 0.000 0.934 966 D HN 0.521 nan 8.370 nan 0.000 0.475 967 G N 0.064 108.955 108.800 0.153 0.000 2.442 967 G HA2 -0.274 3.690 3.960 0.007 0.000 0.219 967 G HA3 -0.274 3.690 3.960 0.007 0.000 0.219 967 G C 1.477 176.530 174.900 0.254 0.000 1.141 967 G CA 0.874 46.069 45.100 0.158 0.000 0.763 967 G HN 0.243 nan 8.290 nan 0.000 0.554 968 D N 0.648 121.214 120.400 0.277 0.000 2.097 968 D HA -0.073 4.571 4.640 0.007 0.000 0.195 968 D C 2.655 179.146 176.300 0.318 0.000 0.989 968 D CA 0.666 54.846 54.000 0.300 0.000 0.827 968 D CB -0.113 40.878 40.800 0.318 0.000 0.966 968 D HN 0.360 nan 8.370 nan 0.000 0.456 969 I N 0.484 121.190 120.570 0.227 0.000 2.163 969 I HA -0.265 3.910 4.170 0.007 0.000 0.243 969 I C 2.428 178.754 176.117 0.348 0.000 1.085 969 I CA 0.788 62.219 61.300 0.217 0.000 1.347 969 I CB -0.373 37.474 38.000 -0.255 0.000 1.044 969 I HN -0.080 nan 8.210 nan 0.000 0.408 970 F N 1.844 121.866 119.950 0.122 0.000 2.095 970 F HA -0.273 4.258 4.527 0.008 0.000 0.298 970 F C 2.673 178.568 175.800 0.158 0.000 1.104 970 F CA 2.052 60.114 58.000 0.104 0.000 1.232 970 F CB -0.302 38.702 39.000 0.007 0.000 0.987 970 F HN -0.063 nan 8.300 nan 0.000 0.475 971 S N 0.420 116.281 115.700 0.269 0.000 2.359 971 S HA -0.230 4.244 4.470 0.007 0.000 0.224 971 S C 1.824 176.465 174.600 0.068 0.000 1.035 971 S CA 1.547 59.834 58.200 0.144 0.000 1.018 971 S CB -0.985 62.341 63.200 0.211 0.000 0.876 971 S HN 0.522 nan 8.310 nan 0.000 0.448 972 F N 2.355 122.307 119.950 0.004 0.000 2.102 972 F HA -0.148 4.384 4.527 0.007 0.000 0.298 972 F C 2.522 178.173 175.800 -0.249 0.000 1.105 972 F CA 1.409 59.301 58.000 -0.179 0.000 1.239 972 F CB -0.508 38.267 39.000 -0.375 0.000 0.991 972 F HN 0.086 nan 8.300 nan 0.000 0.474 973 S N 0.349 116.102 115.700 0.089 0.000 2.356 973 S HA -0.230 4.244 4.470 0.007 0.000 0.223 973 S C 1.829 176.341 174.600 -0.148 0.000 1.032 973 S CA 1.419 59.641 58.200 0.036 0.000 1.005 973 S CB -0.941 62.359 63.200 0.167 0.000 0.867 973 S HN 0.490 nan 8.310 nan 0.000 0.449 974 F N 2.495 122.203 119.950 -0.404 0.000 2.087 974 F HA -0.242 4.289 4.527 0.007 0.000 0.299 974 F C 2.068 177.698 175.800 -0.284 0.000 1.100 974 F CA 1.673 59.425 58.000 -0.412 0.000 1.226 974 F CB -0.208 38.479 39.000 -0.521 0.000 0.983 974 F HN 0.092 nan 8.300 nan 0.000 0.479 975 K N -0.121 120.183 120.400 -0.159 0.000 1.984 975 K HA -0.213 4.111 4.320 0.007 0.000 0.209 975 K C 2.057 178.445 176.600 -0.354 0.000 1.046 975 K CA 1.568 57.700 56.287 -0.258 0.000 0.934 975 K CB -0.410 31.916 32.500 -0.289 0.000 0.717 975 K HN -0.000 nan 8.250 nan 0.000 0.438 976 K N 1.551 121.668 120.400 -0.472 0.000 2.144 976 K HA -0.153 4.171 4.320 0.007 0.000 0.209 976 K C 1.548 178.012 176.600 -0.228 0.000 1.047 976 K CA 1.427 57.481 56.287 -0.388 0.000 0.927 976 K CB -0.175 32.097 32.500 -0.380 0.000 0.716 976 K HN 0.118 nan 8.250 nan 0.000 0.454 977 L N -0.994 120.093 121.223 -0.228 0.000 2.592 977 L HA 0.234 4.579 4.340 0.007 0.000 0.227 977 L C 0.959 177.687 176.870 -0.236 0.000 1.127 977 L CA 0.164 54.892 54.840 -0.188 0.000 0.884 977 L CB -0.188 41.770 42.059 -0.169 0.000 1.065 977 L HN 0.469 nan 8.230 nan 0.000 0.457 978 G N 1.040 109.664 108.800 -0.295 0.000 2.323 978 G HA2 -0.292 3.672 3.960 0.007 0.000 0.292 978 G HA3 -0.292 3.672 3.960 0.007 0.000 0.292 978 G C 0.627 175.306 174.900 -0.370 0.000 1.040 978 G CA 0.259 45.186 45.100 -0.289 0.000 0.942 978 G HN 0.340 nan 8.290 nan 0.000 0.506 979 L N -0.572 120.259 121.223 -0.654 0.000 2.395 979 L HA 0.454 4.798 4.340 0.007 0.000 0.218 979 L C 1.786 178.284 176.870 -0.620 0.000 1.130 979 L CA 1.667 56.086 54.840 -0.701 0.000 0.826 979 L CB 0.011 41.489 42.059 -0.969 0.000 0.941 979 L HN 0.890 nan 8.230 nan 0.000 0.451 980 G N -2.000 106.429 108.800 -0.618 0.000 2.327 980 G HA2 0.123 4.088 3.960 0.007 0.000 0.291 980 G HA3 0.123 4.088 3.960 0.007 0.000 0.291 980 G C -1.540 173.425 174.900 0.109 0.000 1.290 980 G CA -0.909 44.129 45.100 -0.102 0.000 0.857 980 G HN -0.326 nan 8.290 nan 0.000 0.520 981 K N -0.532 120.002 120.400 0.223 0.000 2.098 981 K HA 0.646 4.970 4.320 0.007 0.000 0.257 981 K C -0.748 176.020 176.600 0.280 0.000 0.999 981 K CA -0.669 55.738 56.287 0.199 0.000 0.924 981 K CB 1.867 34.446 32.500 0.131 0.000 1.028 981 K HN 0.429 nan 8.250 nan 0.000 0.466 982 L N 3.003 124.336 121.223 0.184 0.000 2.305 982 L HA 0.410 4.755 4.340 0.007 0.000 0.284 982 L C -1.159 175.771 176.870 0.100 0.000 1.013 982 L CA -0.521 54.390 54.840 0.119 0.000 0.819 982 L CB 0.906 43.022 42.059 0.095 0.000 1.227 982 L HN 0.398 nan 8.230 nan 0.000 0.417 983 I N 4.564 125.192 120.570 0.098 0.000 2.530 983 I HA 0.931 5.106 4.170 0.007 0.000 0.297 983 I C 0.635 176.793 176.117 0.070 0.000 1.011 983 I CA 0.264 61.637 61.300 0.121 0.000 1.107 983 I CB 1.596 39.736 38.000 0.232 0.000 1.285 983 I HN 0.764 nan 8.210 nan 0.000 0.436 984 G N 3.355 112.176 108.800 0.036 0.000 2.286 984 G HA2 0.293 4.257 3.960 0.007 0.000 0.118 984 G HA3 0.293 4.257 3.960 0.007 0.000 0.118 984 G C -0.749 174.147 174.900 -0.006 0.000 1.267 984 G CA -0.063 45.047 45.100 0.016 0.000 1.171 984 G HN 0.845 nan 8.290 nan 0.000 0.465 985 T N -1.987 112.556 114.554 -0.018 0.000 2.903 985 T HA 0.702 5.056 4.350 0.007 0.000 0.299 985 T C -0.065 174.603 174.700 -0.053 0.000 1.093 985 T CA -0.119 61.961 62.100 -0.034 0.000 1.002 985 T CB 2.453 71.299 68.868 -0.037 0.000 1.127 985 T HN 0.967 nan 8.240 nan 0.000 0.488 986 R N 1.574 122.031 120.500 -0.072 0.000 2.566 986 R HA 0.260 4.605 4.340 0.007 0.000 0.273 986 R C 0.746 176.993 176.300 -0.087 0.000 0.981 986 R CA 0.547 56.582 56.100 -0.108 0.000 1.091 986 R CB -0.001 30.171 30.300 -0.213 0.000 0.924 986 R HN 0.941 nan 8.270 nan 0.000 0.411 987 T N 1.169 115.702 114.554 -0.034 0.000 2.788 987 T HA 0.032 4.387 4.350 0.007 0.000 0.280 987 T C 0.946 175.732 174.700 0.144 0.000 0.984 987 T CA -0.486 61.650 62.100 0.059 0.000 0.972 987 T CB 0.608 69.555 68.868 0.131 0.000 1.039 987 T HN 0.808 nan 8.240 nan 0.000 0.530 988 W N 2.179 123.509 121.300 0.051 0.000 2.283 988 W HA -0.057 4.607 4.660 0.007 0.000 0.335 988 W C 1.701 178.373 176.519 0.256 0.000 1.313 988 W CA 2.839 60.285 57.345 0.168 0.000 1.263 988 W CB -1.090 28.494 29.460 0.206 0.000 1.141 988 W HN 1.497 nan 8.180 nan 0.000 0.468 989 G N -0.978 107.980 108.800 0.264 0.000 2.392 989 G HA2 0.088 4.052 3.960 0.007 0.000 0.215 989 G HA3 0.088 4.052 3.960 0.007 0.000 0.215 989 G C -0.007 174.910 174.900 0.028 0.000 1.097 989 G CA -0.109 45.052 45.100 0.101 0.000 0.840 989 G HN 1.135 nan 8.290 nan 0.000 0.492 990 G N -0.577 108.191 108.800 -0.054 0.000 3.712 990 G HA2 0.624 4.588 3.960 0.007 0.000 0.327 990 G HA3 0.624 4.588 3.960 0.007 0.000 0.327 990 G C 0.433 175.502 174.900 0.281 0.000 1.566 990 G CA 0.320 45.325 45.100 -0.157 0.000 0.953 990 G HN 1.609 nan 8.290 nan 0.000 0.488 991 V N -0.022 119.995 119.914 0.172 0.000 3.063 991 V HA 0.395 4.519 4.120 0.007 0.000 0.379 991 V C -0.174 175.922 176.094 0.004 0.000 1.310 991 V CA -0.651 61.725 62.300 0.128 0.000 1.333 991 V CB 0.223 32.125 31.823 0.131 0.000 1.331 991 V HN 0.172 nan 8.190 nan 0.000 0.527 992 V N 2.009 121.864 119.914 -0.098 0.000 2.257 992 V HA 0.709 4.834 4.120 0.007 0.000 0.269 992 V C 1.306 177.178 176.094 -0.369 0.000 1.040 992 V CA 0.071 62.240 62.300 -0.218 0.000 0.813 992 V CB 0.497 32.152 31.823 -0.280 0.000 1.065 992 V HN 0.585 nan 8.190 nan 0.000 0.457 993 G N 4.479 113.131 108.800 -0.247 0.000 2.699 993 G HA2 0.532 4.497 3.960 0.007 0.000 0.246 993 G HA3 0.532 4.497 3.960 0.007 0.000 0.246 993 G C -0.310 174.612 174.900 0.037 0.000 1.219 993 G CA -0.148 44.795 45.100 -0.262 0.000 0.866 993 G HN 0.905 nan 8.290 nan 0.000 0.572 994 I N -3.699 116.872 120.570 0.001 0.000 2.994 994 I HA 0.781 4.955 4.170 0.007 0.000 0.306 994 I C -0.917 175.234 176.117 0.056 0.000 1.195 994 I CA -0.969 60.418 61.300 0.145 0.000 1.001 994 I CB 2.691 40.715 38.000 0.041 0.000 1.244 994 I HN 0.349 nan 8.210 nan 0.000 0.437 995 T N 3.361 118.006 114.554 0.150 0.000 3.233 995 T HA 0.324 4.679 4.350 0.007 0.000 0.324 995 T C -2.590 172.150 174.700 0.065 0.000 0.992 995 T CA -0.507 61.609 62.100 0.027 0.000 1.414 995 T CB 0.537 69.370 68.868 -0.058 0.000 0.935 995 T HN 0.589 nan 8.240 nan 0.000 0.544 996 P HA 0.195 nan 4.420 nan 0.000 0.266 996 P C 0.067 177.408 177.300 0.069 0.000 1.195 996 P CA -0.147 62.987 63.100 0.055 0.000 0.768 996 P CB 0.962 32.689 31.700 0.045 0.000 0.838 997 K N 1.268 121.739 120.400 0.119 0.000 2.553 997 K HA 0.302 4.627 4.320 0.007 0.000 0.205 997 K C 0.399 177.199 176.600 0.333 0.000 1.168 997 K CA -0.587 55.812 56.287 0.187 0.000 1.043 997 K CB 1.090 33.653 32.500 0.106 0.000 0.967 997 K HN 0.288 nan 8.250 nan 0.000 0.585 998 R N 1.466 122.100 120.500 0.223 0.000 2.566 998 R HA 0.330 4.674 4.340 0.007 0.000 0.271 998 R C -1.594 174.757 176.300 0.085 0.000 1.071 998 R CA -0.624 55.574 56.100 0.162 0.000 0.915 998 R CB 1.626 32.031 30.300 0.176 0.000 1.228 998 R HN 0.309 nan 8.270 nan 0.000 0.449 999 R N 3.492 124.023 120.500 0.051 0.000 2.919 999 R HA 0.540 4.884 4.340 0.007 0.000 0.260 999 R C -0.575 175.745 176.300 0.033 0.000 1.067 999 R CA -1.017 55.115 56.100 0.052 0.000 1.003 999 R CB 1.009 31.350 30.300 0.070 0.000 1.192 999 R HN 0.248 nan 8.270 nan 0.000 0.488 1000 L N 1.937 123.188 121.223 0.047 0.000 2.453 1000 L HA 0.232 4.576 4.340 0.007 0.000 0.261 1000 L C 2.001 178.895 176.870 0.040 0.000 1.179 1000 L CA -0.530 54.330 54.840 0.034 0.000 0.813 1000 L CB 0.697 42.780 42.059 0.040 0.000 1.110 1000 L HN 0.784 nan 8.230 nan 0.000 0.466 1001 I N -1.361 119.214 120.570 0.008 0.000 2.761 1001 I HA -0.223 3.952 4.170 0.007 0.000 0.266 1001 I C 1.219 177.334 176.117 -0.002 0.000 1.239 1001 I CA 1.381 62.677 61.300 -0.006 0.000 1.451 1001 I CB -0.464 37.501 38.000 -0.059 0.000 1.096 1001 I HN 0.777 nan 8.210 nan 0.000 0.465 1002 D N 0.606 121.025 120.400 0.030 0.000 2.395 1002 D HA 0.171 4.815 4.640 0.007 0.000 0.213 1002 D C 1.558 178.066 176.300 0.346 0.000 1.110 1002 D CA 0.506 54.556 54.000 0.083 0.000 0.835 1002 D CB 0.547 41.340 40.800 -0.012 0.000 0.965 1002 D HN 0.489 nan 8.370 nan 0.000 0.505 1003 G N 0.150 109.099 108.800 0.249 0.000 2.213 1003 G HA2 -0.264 3.700 3.960 0.007 0.000 0.236 1003 G HA3 -0.264 3.700 3.960 0.007 0.000 0.236 1003 G C 0.503 175.493 174.900 0.151 0.000 0.991 1003 G CA 0.158 45.382 45.100 0.207 0.000 0.629 1003 G HN 0.418 nan 8.290 nan 0.000 0.517 1004 T N 1.195 115.835 114.554 0.144 0.000 2.905 1004 T HA 0.362 4.717 4.350 0.007 0.000 0.299 1004 T C 0.425 175.187 174.700 0.104 0.000 1.024 1004 T CA 0.686 62.867 62.100 0.135 0.000 1.151 1004 T CB 1.807 70.745 68.868 0.117 0.000 0.987 1004 T HN 0.632 nan 8.240 nan 0.000 0.535 1005 V N 6.113 126.087 119.914 0.099 0.000 2.313 1005 V HA 0.329 4.454 4.120 0.007 0.000 0.278 1005 V C 0.245 176.384 176.094 0.075 0.000 1.017 1005 V CA -0.648 61.699 62.300 0.078 0.000 0.823 1005 V CB 0.676 32.538 31.823 0.065 0.000 1.010 1005 V HN 0.694 nan 8.190 nan 0.000 0.443 1006 L N 4.429 125.690 121.223 0.062 0.000 2.379 1006 L HA 0.703 5.047 4.340 0.007 0.000 0.269 1006 L C 0.677 177.568 176.870 0.035 0.000 1.084 1006 L CA -0.147 54.722 54.840 0.049 0.000 0.802 1006 L CB 1.862 43.936 42.059 0.025 0.000 1.175 1006 L HN 0.741 nan 8.230 nan 0.000 0.448 1007 T N -0.602 113.964 114.554 0.020 0.000 2.908 1007 T HA 0.712 5.067 4.350 0.007 0.000 0.290 1007 T C -0.751 173.903 174.700 -0.078 0.000 1.034 1007 T CA -0.939 61.154 62.100 -0.011 0.000 1.010 1007 T CB 2.105 70.973 68.868 -0.001 0.000 1.068 1007 T HN 0.446 nan 8.240 nan 0.000 0.481 1008 Q N 1.992 121.744 119.800 -0.080 0.000 2.285 1008 Q HA 0.454 4.798 4.340 0.007 0.000 0.269 1008 Q C -2.841 173.107 176.000 -0.087 0.000 1.030 1008 Q CA -2.068 53.661 55.803 -0.123 0.000 0.788 1008 Q CB 2.291 30.938 28.738 -0.151 0.000 1.266 1008 Q HN 0.505 nan 8.270 nan 0.000 0.438 1009 P HA -0.089 nan 4.420 nan 0.000 0.258 1009 P C -0.468 176.757 177.300 -0.126 0.000 1.214 1009 P CA 0.578 63.637 63.100 -0.068 0.000 0.872 1009 P CB 0.727 32.423 31.700 -0.006 0.000 0.890 1010 E N 2.311 122.397 120.200 -0.190 0.000 2.465 1010 E HA 0.110 4.464 4.350 0.007 0.000 0.209 1010 E C -0.496 175.588 176.600 -0.859 0.000 0.951 1010 E CA 0.005 56.096 56.400 -0.516 0.000 0.997 1010 E CB 0.308 29.610 29.700 -0.663 0.000 1.025 1010 E HN 0.316 nan 8.360 nan 0.000 0.500 1011 F N 0.967 120.864 119.950 -0.089 0.000 2.564 1011 F HA 0.467 4.998 4.527 0.007 0.000 0.368 1011 F C -0.127 175.587 175.800 -0.143 0.000 1.127 1011 F CA -0.967 56.990 58.000 -0.072 0.000 1.170 1011 F CB 1.222 40.181 39.000 -0.067 0.000 1.397 1011 F HN -0.105 nan 8.300 nan 0.000 0.493 1012 A N 2.808 125.532 122.820 -0.161 0.000 2.451 1012 A HA 0.320 4.644 4.320 0.007 0.000 0.266 1012 A C -0.674 176.913 177.584 0.005 0.000 1.119 1012 A CA -0.110 51.701 52.037 -0.376 0.000 0.786 1012 A CB -0.202 18.058 19.000 -1.232 0.000 1.061 1012 A HN 0.562 nan 8.150 nan 0.000 0.503 1013 F N 3.014 122.909 119.950 -0.092 0.000 2.427 1013 F HA 0.452 4.984 4.527 0.007 0.000 0.352 1013 F C -0.227 175.499 175.800 -0.124 0.000 1.100 1013 F CA -0.412 57.523 58.000 -0.107 0.000 1.191 1013 F CB 0.693 39.573 39.000 -0.201 0.000 1.128 1013 F HN 0.653 nan 8.300 nan 0.000 0.533 1014 W N 8.747 129.376 121.300 -1.118 0.000 2.336 1014 W HA 0.430 5.095 4.660 0.007 0.000 0.315 1014 W C -1.784 174.148 176.519 -0.978 0.000 1.016 1014 W CA -1.139 55.582 57.345 -1.040 0.000 1.318 1014 W CB 0.563 29.451 29.460 -0.953 0.000 1.247 1014 W HN 0.368 nan 8.180 nan 0.000 0.414 1015 F N 5.686 124.933 119.950 -1.172 0.000 2.427 1015 F HA 0.313 4.845 4.527 0.008 0.000 0.352 1015 F C 1.341 176.269 175.800 -1.454 0.000 1.100 1015 F CA -0.774 56.640 58.000 -0.976 0.000 1.191 1015 F CB 0.767 39.260 39.000 -0.845 0.000 1.128 1015 F HN 0.233 nan 8.300 nan 0.000 0.533 1016 R N 3.713 123.767 120.500 -0.743 0.000 2.570 1016 R HA -0.009 4.335 4.340 0.007 0.000 0.277 1016 R C -0.325 175.735 176.300 -0.400 0.000 1.039 1016 R CA 0.190 55.842 56.100 -0.747 0.000 1.065 1016 R CB 0.169 30.422 30.300 -0.078 0.000 0.964 1016 R HN 0.800 nan 8.270 nan 0.000 0.428 1017 D N 1.794 121.997 120.400 -0.327 0.000 2.981 1017 D HA -0.234 4.410 4.640 0.007 0.000 0.223 1017 D C -0.154 176.049 176.300 -0.160 0.000 1.151 1017 D CA 1.401 55.316 54.000 -0.143 0.000 0.827 1017 D CB -1.288 39.485 40.800 -0.045 0.000 1.101 1017 D HN 0.657 nan 8.370 nan 0.000 0.426 1018 A N -1.765 120.853 122.820 -0.336 0.000 2.604 1018 A HA 0.562 4.886 4.320 0.007 0.000 0.157 1018 A C 1.512 178.862 177.584 -0.391 0.000 1.680 1018 A CA 1.177 53.046 52.037 -0.281 0.000 1.227 1018 A CB 0.053 18.872 19.000 -0.302 0.000 1.493 1018 A HN 1.359 nan 8.150 nan 0.000 0.453 1019 G N 0.108 108.446 108.800 -0.771 0.000 2.566 1019 G HA2 -0.291 3.673 3.960 0.007 0.000 0.280 1019 G HA3 -0.291 3.673 3.960 0.007 0.000 0.280 1019 G C 0.329 174.798 174.900 -0.718 0.000 1.225 1019 G CA 0.624 45.193 45.100 -0.885 0.000 0.966 1019 G HN 0.791 nan 8.290 nan 0.000 0.560 1020 F N 2.734 122.629 119.950 -0.091 0.000 2.773 1020 F HA 0.338 4.869 4.527 0.007 0.000 0.304 1020 F C 2.564 178.337 175.800 -0.045 0.000 1.129 1020 F CA 0.752 58.707 58.000 -0.075 0.000 1.378 1020 F CB -0.313 38.653 39.000 -0.057 0.000 1.095 1020 F HN 0.622 nan 8.300 nan 0.000 0.565 1021 G N 0.776 109.611 108.800 0.058 0.000 2.545 1021 G HA2 -0.293 3.671 3.960 0.007 0.000 0.222 1021 G HA3 -0.293 3.671 3.960 0.007 0.000 0.222 1021 G C 1.765 176.726 174.900 0.102 0.000 1.126 1021 G CA 1.580 46.704 45.100 0.039 0.000 0.754 1021 G HN 0.299 nan 8.290 nan 0.000 0.583 1022 V N 0.829 120.801 119.914 0.095 0.000 2.392 1022 V HA -0.056 4.068 4.120 0.007 0.000 0.249 1022 V C 1.439 177.668 176.094 0.225 0.000 1.059 1022 V CA 1.404 63.819 62.300 0.191 0.000 1.051 1022 V CB -0.516 31.414 31.823 0.179 0.000 0.658 1022 V HN 0.501 nan 8.190 nan 0.000 0.455 1023 E N 1.229 121.544 120.200 0.192 0.000 2.414 1023 E HA -0.042 4.313 4.350 0.007 0.000 0.263 1023 E C 0.713 177.463 176.600 0.250 0.000 1.000 1023 E CA 0.545 57.063 56.400 0.197 0.000 0.914 1023 E CB -0.658 29.117 29.700 0.127 0.000 0.948 1023 E HN 0.418 nan 8.360 nan 0.000 0.444 1024 N N 2.783 121.681 118.700 0.330 0.000 2.747 1024 N HA -0.323 4.422 4.740 0.007 0.000 0.249 1024 N C -0.829 174.752 175.510 0.117 0.000 1.107 1024 N CA 0.808 54.017 53.050 0.266 0.000 0.707 1024 N CB -0.573 38.100 38.487 0.310 0.000 1.054 1024 N HN 0.657 nan 8.380 nan 0.000 0.555 1025 Y N -1.338 118.946 120.300 -0.026 0.000 3.213 1025 Y HA 0.343 4.898 4.550 0.007 0.000 0.208 1025 Y C 0.947 176.842 175.900 -0.008 0.000 1.044 1025 Y CA 2.054 60.121 58.100 -0.056 0.000 1.520 1025 Y CB 0.366 38.825 38.460 -0.002 0.000 1.447 1025 Y HN 0.279 nan 8.280 nan 0.000 0.393 1026 G N 0.886 109.676 108.800 -0.017 0.000 2.500 1026 G HA2 0.061 4.025 3.960 0.007 0.000 0.209 1026 G HA3 0.061 4.025 3.960 0.007 0.000 0.209 1026 G C -1.792 173.146 174.900 0.063 0.000 1.283 1026 G CA -0.541 44.542 45.100 -0.029 0.000 0.960 1026 G HN 0.665 nan 8.290 nan 0.000 0.528 1027 V N 0.946 120.894 119.914 0.057 0.000 2.604 1027 V HA 0.549 4.673 4.120 0.007 0.000 0.305 1027 V C -0.814 175.312 176.094 0.054 0.000 1.043 1027 V CA -0.893 61.498 62.300 0.151 0.000 0.888 1027 V CB 1.909 33.854 31.823 0.204 0.000 0.995 1027 V HN 0.698 nan 8.190 nan 0.000 0.429 1028 D N 5.796 126.257 120.400 0.100 0.000 2.249 1028 D HA 0.347 4.991 4.640 0.007 0.000 0.246 1028 D C -2.363 173.957 176.300 0.033 0.000 1.114 1028 D CA -1.006 53.029 54.000 0.058 0.000 0.854 1028 D CB 2.155 43.022 40.800 0.112 0.000 1.132 1028 D HN 0.324 nan 8.370 nan 0.000 0.461 1029 P HA 0.135 nan 4.420 nan 0.000 0.278 1029 P C 0.262 177.576 177.300 0.024 0.000 1.238 1029 P CA -0.408 62.707 63.100 0.024 0.000 0.794 1029 P CB 1.590 33.303 31.700 0.022 0.000 0.955 1030 D N 0.435 120.855 120.400 0.034 0.000 2.158 1030 D HA -0.065 4.580 4.640 0.007 0.000 0.197 1030 D C 0.534 176.855 176.300 0.036 0.000 0.995 1030 D CA 1.590 55.610 54.000 0.034 0.000 0.846 1030 D CB 0.102 40.931 40.800 0.049 0.000 0.941 1030 D HN 0.157 nan 8.370 nan 0.000 0.456 1031 V N 0.810 120.752 119.914 0.046 0.000 2.531 1031 V HA 0.169 4.293 4.120 0.007 0.000 0.301 1031 V C -0.072 175.993 176.094 -0.048 0.000 1.034 1031 V CA -0.914 61.386 62.300 0.001 0.000 0.865 1031 V CB 2.474 34.325 31.823 0.047 0.000 0.995 1031 V HN -0.079 nan 8.190 nan 0.000 0.424 1032 E N 4.099 124.252 120.200 -0.078 0.000 2.130 1032 E HA 0.499 4.853 4.350 0.007 0.000 0.284 1032 E C -1.469 175.056 176.600 -0.125 0.000 1.018 1032 E CA -0.586 55.772 56.400 -0.071 0.000 0.817 1032 E CB 1.033 30.708 29.700 -0.041 0.000 1.078 1032 E HN 0.570 nan 8.360 nan 0.000 0.396 1033 I N 5.248 125.750 120.570 -0.112 0.000 2.437 1033 I HA 0.122 4.296 4.170 0.007 0.000 0.279 1033 I C 0.175 176.257 176.117 -0.058 0.000 1.028 1033 I CA -0.407 60.809 61.300 -0.141 0.000 1.142 1033 I CB 1.305 39.188 38.000 -0.194 0.000 1.266 1033 I HN 0.459 nan 8.210 nan 0.000 0.461 1034 E N 3.414 123.607 120.200 -0.011 0.000 2.409 1034 E HA 0.017 4.371 4.350 0.007 0.000 0.257 1034 E C -0.987 175.620 176.600 0.012 0.000 1.150 1034 E CA 0.041 56.481 56.400 0.066 0.000 0.942 1034 E CB 1.048 30.857 29.700 0.181 0.000 0.979 1034 E HN 0.332 nan 8.360 nan 0.000 0.447 1035 Y N 0.546 120.788 120.300 -0.098 0.000 2.658 1035 Y HA 0.341 4.896 4.550 0.008 0.000 0.362 1035 Y C -0.148 175.556 175.900 -0.327 0.000 1.017 1035 Y CA -0.856 57.106 58.100 -0.229 0.000 1.134 1035 Y CB 0.098 38.455 38.460 -0.171 0.000 1.144 1035 Y HN 0.505 nan 8.280 nan 0.000 0.655 1036 A N 3.891 126.546 122.820 -0.275 0.000 2.429 1036 A HA 0.260 4.584 4.320 0.007 0.000 0.242 1036 A C -1.470 175.785 177.584 -0.548 0.000 1.088 1036 A CA -0.888 50.708 52.037 -0.736 0.000 0.784 1036 A CB 0.133 18.591 19.000 -0.903 0.000 1.038 1036 A HN 0.516 nan 8.150 nan 0.000 0.501 1037 P HA -0.178 nan 4.420 nan 0.000 0.218 1037 P C 0.761 177.868 177.300 -0.321 0.000 1.148 1037 P CA 2.052 64.805 63.100 -0.579 0.000 0.822 1037 P CB -0.179 30.776 31.700 -1.241 0.000 0.784 1038 H N -2.264 116.734 119.070 -0.120 0.000 2.457 1038 H HA -0.009 4.552 4.556 0.008 0.000 0.294 1038 H C 1.420 176.780 175.328 0.054 0.000 1.064 1038 H CA 1.105 57.200 56.048 0.078 0.000 1.330 1038 H CB -1.410 28.491 29.762 0.231 0.000 1.395 1038 H HN 0.105 nan 8.280 nan 0.000 0.541 1039 D N 0.446 120.769 120.400 -0.128 0.000 2.144 1039 D HA -0.144 4.500 4.640 0.007 0.000 0.200 1039 D C 1.348 177.634 176.300 -0.024 0.000 0.978 1039 D CA 1.137 55.086 54.000 -0.087 0.000 0.833 1039 D CB -0.169 40.466 40.800 -0.275 0.000 0.961 1039 D HN 0.483 nan 8.370 nan 0.000 0.470 1040 Y N 0.976 121.299 120.300 0.039 0.000 2.263 1040 Y HA -0.016 4.539 4.550 0.007 0.000 0.292 1040 Y C 2.506 178.400 175.900 -0.009 0.000 1.130 1040 Y CA 0.393 58.500 58.100 0.011 0.000 1.179 1040 Y CB -0.260 38.107 38.460 -0.155 0.000 0.998 1040 Y HN -0.101 nan 8.280 nan 0.000 0.532 1041 L N -0.526 120.779 121.223 0.138 0.000 2.201 1041 L HA -0.179 4.165 4.340 0.007 0.000 0.212 1041 L C 2.252 179.183 176.870 0.101 0.000 1.105 1041 L CA 1.572 56.477 54.840 0.109 0.000 0.775 1041 L CB -0.533 41.605 42.059 0.131 0.000 0.913 1041 L HN 0.273 nan 8.230 nan 0.000 0.440 1042 S N -0.985 114.773 115.700 0.097 0.000 2.548 1042 S HA 0.135 4.609 4.470 0.007 0.000 0.215 1042 S C 1.451 176.079 174.600 0.046 0.000 0.976 1042 S CA 0.292 58.535 58.200 0.073 0.000 0.908 1042 S CB 0.323 63.567 63.200 0.075 0.000 0.781 1042 S HN 0.476 nan 8.310 nan 0.000 0.519 1043 G N 1.390 110.220 108.800 0.050 0.000 2.246 1043 G HA2 -0.283 3.682 3.960 0.007 0.000 0.273 1043 G HA3 -0.283 3.682 3.960 0.007 0.000 0.273 1043 G C -0.268 174.623 174.900 -0.015 0.000 1.055 1043 G CA 0.528 45.647 45.100 0.033 0.000 0.851 1043 G HN 0.776 nan 8.290 nan 0.000 0.500 1044 K N -0.036 120.338 120.400 -0.044 0.000 2.316 1044 K HA 0.487 4.811 4.320 0.007 0.000 0.251 1044 K C -1.507 174.949 176.600 -0.241 0.000 0.934 1044 K CA -0.976 55.241 56.287 -0.117 0.000 0.802 1044 K CB 1.348 33.793 32.500 -0.092 0.000 1.171 1044 K HN -0.012 nan 8.250 nan 0.000 0.426 1045 D N 5.615 125.840 120.400 -0.291 0.000 2.473 1045 D HA 0.180 4.824 4.640 0.007 0.000 0.226 1045 D C -1.577 174.452 176.300 -0.452 0.000 1.089 1045 D CA -2.408 51.316 54.000 -0.460 0.000 0.883 1045 D CB 1.562 42.241 40.800 -0.201 0.000 1.029 1045 D HN 0.317 nan 8.370 nan 0.000 0.517 1046 P HA -0.142 nan 4.420 nan 0.000 0.222 1046 P C 1.061 178.236 177.300 -0.209 0.000 1.147 1046 P CA 0.928 63.818 63.100 -0.350 0.000 0.790 1046 P CB 0.720 32.181 31.700 -0.398 0.000 0.780 1047 Q N -0.467 119.170 119.800 -0.272 0.000 2.062 1047 Q HA 0.002 4.346 4.340 0.007 0.000 0.196 1047 Q C 2.384 178.414 176.000 0.051 0.000 0.967 1047 Q CA 0.840 56.612 55.803 -0.053 0.000 0.832 1047 Q CB -0.399 28.339 28.738 -0.001 0.000 0.899 1047 Q HN 0.210 nan 8.270 nan 0.000 0.442 1048 I N 0.694 121.274 120.570 0.017 0.000 2.439 1048 I HA -0.235 3.939 4.170 0.007 0.000 0.251 1048 I C 1.122 177.286 176.117 0.079 0.000 1.139 1048 I CA 0.915 62.251 61.300 0.060 0.000 1.438 1048 I CB 0.131 38.129 38.000 -0.003 0.000 1.085 1048 I HN 0.179 nan 8.210 nan 0.000 0.427 1049 D N 0.037 120.471 120.400 0.057 0.000 2.097 1049 D HA -0.244 4.400 4.640 0.007 0.000 0.197 1049 D C 1.829 178.184 176.300 0.092 0.000 0.984 1049 D CA 1.313 55.370 54.000 0.095 0.000 0.826 1049 D CB -0.380 40.457 40.800 0.061 0.000 0.973 1049 D HN 0.370 nan 8.370 nan 0.000 0.460 1050 Y N 1.716 122.009 120.300 -0.012 0.000 2.128 1050 Y HA -0.243 4.311 4.550 0.007 0.000 0.284 1050 Y C 2.222 178.132 175.900 0.017 0.000 1.154 1050 Y CA 1.850 59.948 58.100 -0.003 0.000 1.149 1050 Y CB -0.626 37.825 38.460 -0.014 0.000 0.976 1050 Y HN -0.044 nan 8.280 nan 0.000 0.505 1051 A N 0.467 123.305 122.820 0.030 0.000 1.892 1051 A HA -0.234 4.091 4.320 0.007 0.000 0.218 1051 A C 2.349 179.888 177.584 -0.076 0.000 1.188 1051 A CA 2.345 54.364 52.037 -0.030 0.000 0.631 1051 A CB -1.252 17.798 19.000 0.082 0.000 0.822 1051 A HN 0.584 nan 8.150 nan 0.000 0.447 1052 I N -0.256 120.297 120.570 -0.029 0.000 2.142 1052 I HA -0.230 3.944 4.170 0.007 0.000 0.240 1052 I C 1.894 177.963 176.117 -0.080 0.000 1.078 1052 I CA 1.590 62.868 61.300 -0.037 0.000 1.343 1052 I CB -0.588 37.399 38.000 -0.022 0.000 1.046 1052 I HN 0.253 nan 8.210 nan 0.000 0.405 1053 D N 1.181 121.520 120.400 -0.101 0.000 2.144 1053 D HA -0.136 4.508 4.640 0.007 0.000 0.199 1053 D C 2.240 178.433 176.300 -0.178 0.000 0.984 1053 D CA 1.518 55.450 54.000 -0.113 0.000 0.834 1053 D CB -0.174 40.579 40.800 -0.078 0.000 0.955 1053 D HN 0.361 nan 8.370 nan 0.000 0.465 1054 A N 0.806 123.430 122.820 -0.326 0.000 1.902 1054 A HA -0.105 4.219 4.320 0.007 0.000 0.217 1054 A C 2.382 179.870 177.584 -0.160 0.000 1.181 1054 A CA 0.782 52.610 52.037 -0.349 0.000 0.623 1054 A CB -0.749 17.897 19.000 -0.590 0.000 0.818 1054 A HN 0.189 nan 8.150 nan 0.000 0.443 1055 L N -0.513 120.643 121.223 -0.111 0.000 2.046 1055 L HA -0.175 4.169 4.340 0.007 0.000 0.208 1055 L C 2.451 179.303 176.870 -0.030 0.000 1.077 1055 L CA 1.253 56.068 54.840 -0.042 0.000 0.747 1055 L CB -0.487 41.567 42.059 -0.009 0.000 0.896 1055 L HN 0.408 nan 8.230 nan 0.000 0.432 1056 I N -0.312 120.233 120.570 -0.042 0.000 2.264 1056 I HA -0.299 3.876 4.170 0.007 0.000 0.248 1056 I C 2.535 178.636 176.117 -0.027 0.000 1.111 1056 I CA 1.118 62.401 61.300 -0.028 0.000 1.382 1056 I CB -0.242 37.736 38.000 -0.036 0.000 1.060 1056 I HN 0.266 nan 8.210 nan 0.000 0.418 1057 E N 1.543 121.718 120.200 -0.042 0.000 2.051 1057 E HA -0.231 4.123 4.350 0.007 0.000 0.192 1057 E C 1.981 178.570 176.600 -0.019 0.000 0.991 1057 E CA 1.591 57.971 56.400 -0.032 0.000 0.799 1057 E CB -0.089 29.584 29.700 -0.045 0.000 0.748 1057 E HN 0.433 nan 8.360 nan 0.000 0.449 1058 E N -0.755 119.433 120.200 -0.020 0.000 2.204 1058 E HA -0.115 4.240 4.350 0.007 0.000 0.194 1058 E C 0.842 177.444 176.600 0.004 0.000 0.989 1058 E CA 0.402 56.798 56.400 -0.005 0.000 0.824 1058 E CB 0.040 29.740 29.700 -0.000 0.000 0.756 1058 E HN 0.181 nan 8.360 nan 0.000 0.477 1059 L N 0.837 122.062 121.223 0.004 0.000 2.672 1059 L HA 0.024 4.368 4.340 0.007 0.000 0.236 1059 L C 1.555 178.430 176.870 0.007 0.000 1.186 1059 L CA 0.610 55.457 54.840 0.012 0.000 0.977 1059 L CB -0.078 41.992 42.059 0.019 0.000 1.203 1059 L HN -0.067 nan 8.230 nan 0.000 0.448 1060 R N -0.882 119.619 120.500 0.002 0.000 2.223 1060 R HA 0.193 4.537 4.340 0.007 0.000 0.198 1060 R C 0.534 176.836 176.300 0.003 0.000 0.984 1060 R CA 0.007 56.108 56.100 0.001 0.000 1.018 1060 R CB -0.160 30.139 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 4.744 4.740 0.007 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.007 0.000 0.885 1061 N CB 0.000 38.492 38.487 0.009 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667