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 1k32_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 0.000 176.264 176.300 -0.060 0.000 1.140 39 M CA 0.000 55.266 55.300 -0.058 0.000 0.988 39 M CB 0.000 32.566 32.600 -0.057 0.000 1.302 40 P HA 0.302 nan 4.420 nan 0.000 0.274 40 P C -1.155 176.093 177.300 -0.088 0.000 1.246 40 P CA 0.004 63.051 63.100 -0.088 0.000 0.795 40 P CB 0.700 32.343 31.700 -0.096 0.000 1.006 41 N N -0.188 118.443 118.700 -0.114 0.000 2.477 41 N HA 0.410 5.155 4.740 0.008 0.000 0.284 41 N C -0.675 174.770 175.510 -0.108 0.000 1.182 41 N CA -0.681 52.309 53.050 -0.101 0.000 0.949 41 N CB 0.376 38.782 38.487 -0.135 0.000 1.204 41 N HN 0.311 nan 8.380 nan 0.000 0.526 42 L N 1.785 122.966 121.223 -0.069 0.000 2.278 42 L HA 0.373 4.717 4.340 0.008 0.000 0.287 42 L C -1.301 175.529 176.870 -0.066 0.000 1.072 42 L CA 0.035 54.832 54.840 -0.073 0.000 0.819 42 L CB -0.135 41.898 42.059 -0.043 0.000 1.176 42 L HN 0.358 nan 8.230 nan 0.000 0.435 43 L N 6.478 127.634 121.223 -0.111 0.000 2.309 43 L HA 0.604 4.948 4.340 0.008 0.000 0.282 43 L C -0.771 176.078 176.870 -0.035 0.000 1.036 43 L CA -0.668 54.105 54.840 -0.112 0.000 0.806 43 L CB 1.355 43.212 42.059 -0.336 0.000 1.220 43 L HN 0.531 nan 8.230 nan 0.000 0.429 44 L N 1.341 122.603 121.223 0.064 0.000 2.491 44 L HA 0.378 4.723 4.340 0.008 0.000 0.254 44 L C -0.236 176.684 176.870 0.084 0.000 1.048 44 L CA -0.729 54.152 54.840 0.069 0.000 0.855 44 L CB 1.548 43.642 42.059 0.057 0.000 1.466 44 L HN 0.533 nan 8.230 nan 0.000 0.409 45 N N 0.435 119.113 118.700 -0.035 0.000 2.652 45 N HA -0.154 4.590 4.740 0.008 0.000 0.281 45 N C -2.561 172.981 175.510 0.053 0.000 1.084 45 N CA -0.131 52.688 53.050 -0.385 0.000 0.775 45 N CB -0.965 37.083 38.487 -0.732 0.000 0.923 45 N HN 0.388 nan 8.380 nan 0.000 0.558 46 P HA 0.399 nan 4.420 nan 0.000 0.284 46 P C -0.681 176.896 177.300 0.462 0.000 1.287 46 P CA 0.073 63.407 63.100 0.390 0.000 0.824 46 P CB 1.622 33.510 31.700 0.313 0.000 1.180 47 D N -0.829 119.813 120.400 0.403 0.000 2.583 47 D HA 0.612 5.256 4.640 0.008 0.000 0.248 47 D C -1.528 175.083 176.300 0.518 0.000 1.209 47 D CA -0.622 53.633 54.000 0.426 0.000 0.848 47 D CB 1.761 42.790 40.800 0.382 0.000 1.431 47 D HN 0.320 nan 8.370 nan 0.000 0.436 48 I N 0.912 121.790 120.570 0.514 0.000 2.802 48 I HA 0.532 4.706 4.170 0.008 0.000 0.298 48 I C -2.018 174.187 176.117 0.148 0.000 1.176 48 I CA -0.692 60.845 61.300 0.395 0.000 1.025 48 I CB 2.135 40.273 38.000 0.231 0.000 1.243 48 I HN 0.526 nan 8.210 nan 0.000 0.424 49 H N 5.113 124.027 119.070 -0.260 0.000 3.277 49 H HA 0.548 5.108 4.556 0.008 0.000 0.329 49 H C 0.112 175.278 175.328 -0.270 0.000 1.034 49 H CA 0.669 56.433 56.048 -0.473 0.000 1.530 49 H CB 1.249 30.301 29.762 -1.185 0.000 1.837 49 H HN 1.003 nan 8.280 nan 0.000 0.493 50 G N 3.958 112.541 108.800 -0.360 0.000 2.596 50 G HA2 -0.364 3.601 3.960 0.008 0.000 0.304 50 G HA3 -0.364 3.601 3.960 0.008 0.000 0.304 50 G C 0.516 175.378 174.900 -0.064 0.000 1.189 50 G CA 0.628 45.611 45.100 -0.195 0.000 0.986 50 G HN 0.629 nan 8.290 nan 0.000 0.548 51 D N 1.999 122.390 120.400 -0.015 0.000 2.368 51 D HA 0.172 4.816 4.640 0.008 0.000 0.218 51 D C 1.000 177.352 176.300 0.086 0.000 1.112 51 D CA 0.221 54.241 54.000 0.034 0.000 0.834 51 D CB 0.203 41.017 40.800 0.024 0.000 0.953 51 D HN 0.354 nan 8.370 nan 0.000 0.505 52 R N 0.798 121.356 120.500 0.097 0.000 2.338 52 R HA 0.576 4.920 4.340 0.008 0.000 0.317 52 R C -0.114 176.387 176.300 0.335 0.000 0.968 52 R CA -0.433 55.788 56.100 0.201 0.000 0.849 52 R CB 2.078 32.497 30.300 0.199 0.000 1.128 52 R HN -0.076 nan 8.270 nan 0.000 0.448 53 I N 4.884 125.705 120.570 0.418 0.000 2.474 53 I HA 0.465 4.640 4.170 0.008 0.000 0.294 53 I C 0.214 176.639 176.117 0.514 0.000 1.005 53 I CA -1.059 60.535 61.300 0.490 0.000 1.113 53 I CB 1.950 40.194 38.000 0.408 0.000 1.289 53 I HN 0.519 nan 8.210 nan 0.000 0.436 54 I N 3.107 123.941 120.570 0.440 0.000 2.603 54 I HA 0.796 4.971 4.170 0.008 0.000 0.300 54 I C -1.165 175.126 176.117 0.289 0.000 1.017 54 I CA -0.580 60.828 61.300 0.180 0.000 1.098 54 I CB 2.087 40.024 38.000 -0.105 0.000 1.279 54 I HN 0.574 nan 8.210 nan 0.000 0.437 55 F N 2.206 122.253 119.950 0.161 0.000 2.817 55 F HA 0.776 5.307 4.527 0.007 0.000 0.317 55 F C -1.760 174.141 175.800 0.168 0.000 1.168 55 F CA -1.200 56.880 58.000 0.133 0.000 0.911 55 F CB 0.814 39.868 39.000 0.089 0.000 1.337 55 F HN 0.239 nan 8.300 nan 0.000 0.464 56 V N 1.346 121.478 119.914 0.363 0.000 2.472 56 V HA 0.611 4.736 4.120 0.008 0.000 0.290 56 V C -0.695 175.612 176.094 0.356 0.000 1.037 56 V CA -0.512 61.966 62.300 0.296 0.000 0.908 56 V CB 1.313 33.269 31.823 0.221 0.000 0.985 56 V HN 1.050 nan 8.190 nan 0.000 0.454 57 C N 4.884 124.382 119.300 0.330 0.000 2.832 57 C HA 0.475 4.939 4.460 0.008 0.000 0.383 57 C C 0.508 175.681 174.990 0.305 0.000 1.046 57 C CA -0.538 58.586 59.018 0.178 0.000 1.242 57 C CB -0.415 27.193 27.740 -0.221 0.000 1.693 57 C HN 1.165 nan 8.230 nan 0.000 0.497 58 C N 5.645 125.082 119.300 0.229 0.000 4.454 58 C HA -0.091 4.374 4.460 0.008 0.000 0.298 58 C C 0.679 175.813 174.990 0.240 0.000 1.384 58 C CA 1.508 60.669 59.018 0.239 0.000 2.002 58 C CB -2.649 25.243 27.740 0.252 0.000 1.249 58 C HN 1.148 nan 8.230 nan 0.000 0.783 59 D N -1.899 118.649 120.400 0.246 0.000 2.946 59 D HA -0.129 4.516 4.640 0.008 0.000 0.202 59 D C -0.173 176.191 176.300 0.107 0.000 1.068 59 D CA 2.160 56.262 54.000 0.171 0.000 1.011 59 D CB -0.704 40.171 40.800 0.125 0.000 1.105 59 D HN 0.709 nan 8.370 nan 0.000 0.425 60 D N -0.157 120.339 120.400 0.161 0.000 2.326 60 D HA 0.486 5.131 4.640 0.008 0.000 0.248 60 D C 0.449 176.792 176.300 0.071 0.000 1.001 60 D CA -0.548 53.478 54.000 0.043 0.000 0.961 60 D CB 1.219 41.996 40.800 -0.038 0.000 1.183 60 D HN -0.029 nan 8.370 nan 0.000 0.502 61 L N 1.199 122.335 121.223 -0.145 0.000 2.289 61 L HA 0.358 4.703 4.340 0.008 0.000 0.285 61 L C -1.108 175.536 176.870 -0.376 0.000 1.049 61 L CA -0.482 54.256 54.840 -0.171 0.000 0.804 61 L CB 0.642 42.560 42.059 -0.234 0.000 1.195 61 L HN 0.312 nan 8.230 nan 0.000 0.428 62 W N 2.999 123.980 121.300 -0.532 0.000 2.799 62 W HA 0.520 5.185 4.660 0.007 0.000 0.349 62 W C -0.410 175.713 176.519 -0.661 0.000 1.100 62 W CA -0.491 56.462 57.345 -0.653 0.000 1.174 62 W CB 1.301 30.182 29.460 -0.966 0.000 1.427 62 W HN 0.318 nan 8.180 nan 0.000 0.547 63 E N 1.612 121.760 120.200 -0.085 0.000 2.246 63 E HA 0.185 4.540 4.350 0.008 0.000 0.266 63 E C -1.488 175.279 176.600 0.278 0.000 0.880 63 E CA -0.578 55.873 56.400 0.085 0.000 0.762 63 E CB 1.354 31.114 29.700 0.101 0.000 1.180 63 E HN 0.523 nan 8.360 nan 0.000 0.416 64 H N 3.481 122.740 119.070 0.315 0.000 2.495 64 H HA 0.269 4.829 4.556 0.007 0.000 0.348 64 H C -1.584 173.878 175.328 0.223 0.000 1.113 64 H CA -0.638 55.599 56.048 0.316 0.000 1.195 64 H CB 1.908 31.925 29.762 0.424 0.000 1.521 64 H HN 0.556 nan 8.280 nan 0.000 0.509 65 D N 4.851 125.030 120.400 -0.367 0.000 2.392 65 D HA 0.132 4.776 4.640 0.008 0.000 0.228 65 D C 1.070 177.199 176.300 -0.284 0.000 1.074 65 D CA -0.490 53.398 54.000 -0.186 0.000 0.838 65 D CB 0.812 41.554 40.800 -0.095 0.000 1.067 65 D HN 0.570 nan 8.370 nan 0.000 0.511 66 L N 3.288 124.511 121.223 0.000 0.000 2.127 66 L HA -0.127 4.218 4.340 0.008 0.000 0.211 66 L C 2.340 179.231 176.870 0.034 0.000 1.089 66 L CA 0.994 55.895 54.840 0.103 0.000 0.757 66 L CB -0.260 41.875 42.059 0.126 0.000 0.899 66 L HN 0.455 nan 8.230 nan 0.000 0.434 67 K N 0.195 120.596 120.400 0.003 0.000 2.031 67 K HA -0.140 4.184 4.320 0.008 0.000 0.205 67 K C 2.275 178.869 176.600 -0.011 0.000 1.049 67 K CA 1.631 57.918 56.287 0.001 0.000 0.939 67 K CB 0.052 32.553 32.500 0.001 0.000 0.717 67 K HN 0.328 nan 8.250 nan 0.000 0.438 68 S N -1.424 114.255 115.700 -0.035 0.000 2.503 68 S HA 0.151 4.626 4.470 0.008 0.000 0.217 68 S C 1.422 175.995 174.600 -0.044 0.000 0.999 68 S CA 0.468 58.649 58.200 -0.032 0.000 0.914 68 S CB 0.445 63.627 63.200 -0.030 0.000 0.782 68 S HN 0.556 nan 8.310 nan 0.000 0.520 69 G N 1.621 110.360 108.800 -0.102 0.000 2.184 69 G HA2 -0.306 3.659 3.960 0.008 0.000 0.264 69 G HA3 -0.306 3.659 3.960 0.008 0.000 0.264 69 G C 0.223 175.064 174.900 -0.099 0.000 0.975 69 G CA 0.410 45.470 45.100 -0.067 0.000 0.642 69 G HN 1.407 nan 8.290 nan 0.000 0.536 70 S N -0.286 115.327 115.700 -0.145 0.000 2.601 70 S HA 0.731 5.205 4.470 0.008 0.000 0.271 70 S C 0.015 174.605 174.600 -0.017 0.000 1.305 70 S CA 0.583 58.762 58.200 -0.035 0.000 1.022 70 S CB 2.112 65.311 63.200 -0.003 0.000 0.940 70 S HN 0.648 nan 8.310 nan 0.000 0.525 71 T N 2.240 116.899 114.554 0.176 0.000 2.893 71 T HA 0.705 5.060 4.350 0.008 0.000 0.291 71 T C -0.520 174.379 174.700 0.331 0.000 1.028 71 T CA -0.796 61.508 62.100 0.341 0.000 0.995 71 T CB 1.401 70.554 68.868 0.474 0.000 1.051 71 T HN 0.829 nan 8.240 nan 0.000 0.470 72 R N 1.351 122.059 120.500 0.347 0.000 2.604 72 R HA 0.430 4.775 4.340 0.008 0.000 0.270 72 R C -1.536 174.709 176.300 -0.092 0.000 1.052 72 R CA -0.856 55.342 56.100 0.163 0.000 0.902 72 R CB 1.647 31.980 30.300 0.054 0.000 1.233 72 R HN 0.558 nan 8.270 nan 0.000 0.455 73 K N 5.179 125.202 120.400 -0.628 0.000 2.276 73 K HA 0.198 4.522 4.320 0.008 0.000 0.285 73 K C 1.012 177.241 176.600 -0.617 0.000 1.062 73 K CA -0.308 55.264 56.287 -1.191 0.000 0.918 73 K CB 0.603 32.104 32.500 -1.666 0.000 1.055 73 K HN 0.660 nan 8.250 nan 0.000 0.477 74 I N 1.678 121.914 120.570 -0.556 0.000 3.462 74 I HA 0.144 4.318 4.170 0.008 0.000 0.290 74 I C 0.085 175.819 176.117 -0.638 0.000 1.236 74 I CA -0.344 60.656 61.300 -0.501 0.000 1.418 74 I CB 0.811 38.509 38.000 -0.504 0.000 1.102 74 I HN 0.221 nan 8.210 nan 0.000 0.441 75 V N 1.417 120.991 119.914 -0.567 0.000 2.891 75 V HA 0.764 4.889 4.120 0.008 0.000 0.304 75 V C -0.882 175.012 176.094 -0.334 0.000 1.171 75 V CA 0.351 62.390 62.300 -0.435 0.000 0.943 75 V CB 2.073 33.627 31.823 -0.449 0.000 1.037 75 V HN 0.513 nan 8.190 nan 0.000 0.427 76 S N 3.595 119.149 115.700 -0.244 0.000 2.688 76 S HA 0.580 5.054 4.470 0.008 0.000 0.275 76 S C -0.020 174.499 174.600 -0.136 0.000 1.175 76 S CA -0.069 58.020 58.200 -0.185 0.000 0.818 76 S CB 1.339 64.426 63.200 -0.189 0.000 1.157 76 S HN 2.222 nan 8.310 nan 0.000 0.482 77 N N -0.682 117.959 118.700 -0.099 0.000 2.708 77 N HA -0.147 4.597 4.740 0.008 0.000 0.249 77 N C 0.040 175.487 175.510 -0.105 0.000 1.097 77 N CA 1.173 54.175 53.050 -0.080 0.000 0.710 77 N CB -1.673 36.777 38.487 -0.063 0.000 1.032 77 N HN 0.669 nan 8.380 nan 0.000 0.551 78 L N -2.149 118.987 121.223 -0.145 0.000 2.515 78 L HA 0.404 4.748 4.340 0.008 0.000 0.223 78 L C 1.560 178.328 176.870 -0.171 0.000 1.079 78 L CA 0.622 55.336 54.840 -0.210 0.000 0.857 78 L CB -0.016 41.830 42.059 -0.356 0.000 1.050 78 L HN 0.516 nan 8.230 nan 0.000 0.476 79 G N -0.505 108.220 108.800 -0.126 0.000 2.270 79 G HA2 -0.096 3.868 3.960 0.008 0.000 0.268 79 G HA3 -0.096 3.868 3.960 0.008 0.000 0.268 79 G C -1.217 173.631 174.900 -0.086 0.000 1.312 79 G CA -0.642 44.395 45.100 -0.106 0.000 1.050 79 G HN -0.288 nan 8.290 nan 0.000 0.474 80 V N 1.373 121.226 119.914 -0.102 0.000 2.368 80 V HA 0.473 4.598 4.120 0.008 0.000 0.266 80 V C 0.642 176.631 176.094 -0.175 0.000 1.045 80 V CA -0.201 62.003 62.300 -0.160 0.000 0.899 80 V CB 0.716 32.362 31.823 -0.295 0.000 1.006 80 V HN 0.538 nan 8.190 nan 0.000 0.470 81 I N 5.141 125.646 120.570 -0.108 0.000 2.365 81 I HA 0.283 4.458 4.170 0.008 0.000 0.291 81 I C 0.978 177.078 176.117 -0.027 0.000 1.004 81 I CA 0.029 61.298 61.300 -0.052 0.000 1.311 81 I CB 1.053 39.042 38.000 -0.019 0.000 1.401 81 I HN 0.844 nan 8.210 nan 0.000 0.491 82 N N 3.129 121.835 118.700 0.010 0.000 2.166 82 N HA 0.132 4.876 4.740 0.008 0.000 0.213 82 N C -0.168 175.418 175.510 0.126 0.000 1.222 82 N CA -0.426 52.686 53.050 0.104 0.000 0.900 82 N CB 0.514 39.069 38.487 0.113 0.000 1.055 82 N HN 0.551 nan 8.380 nan 0.000 0.515 83 N N -0.030 118.750 118.700 0.133 0.000 2.446 83 N HA 0.613 5.357 4.740 0.008 0.000 0.272 83 N C -2.218 173.402 175.510 0.183 0.000 1.127 83 N CA -0.440 52.735 53.050 0.208 0.000 0.896 83 N CB 2.232 40.890 38.487 0.285 0.000 1.658 83 N HN 0.291 nan 8.380 nan 0.000 0.483 84 A N 2.434 125.381 122.820 0.211 0.000 2.459 84 A HA 0.793 5.117 4.320 0.008 0.000 0.296 84 A C -1.296 176.389 177.584 0.167 0.000 1.039 84 A CA -0.698 51.425 52.037 0.143 0.000 0.698 84 A CB 1.284 20.309 19.000 0.042 0.000 1.261 84 A HN 0.482 nan 8.150 nan 0.000 0.405 85 R N 1.630 122.238 120.500 0.178 0.000 2.513 85 R HA 0.428 4.772 4.340 0.008 0.000 0.301 85 R C -1.385 175.049 176.300 0.224 0.000 0.968 85 R CA -0.416 55.838 56.100 0.256 0.000 0.872 85 R CB 1.186 31.726 30.300 0.400 0.000 1.177 85 R HN 0.679 nan 8.270 nan 0.000 0.444 86 F N 2.009 122.055 119.950 0.160 0.000 2.506 86 F HA 0.158 4.689 4.527 0.008 0.000 0.351 86 F C 1.018 176.659 175.800 -0.266 0.000 1.136 86 F CA 0.285 58.310 58.000 0.042 0.000 1.298 86 F CB 0.436 39.440 39.000 0.008 0.000 1.145 86 F HN 0.322 nan 8.300 nan 0.000 0.593 87 F N 4.110 123.940 119.950 -0.200 0.000 2.378 87 F HA 0.189 4.721 4.527 0.007 0.000 0.319 87 F C -0.916 174.580 175.800 -0.507 0.000 1.155 87 F CA -1.746 55.872 58.000 -0.637 0.000 1.157 87 F CB 0.129 38.966 39.000 -0.273 0.000 1.252 87 F HN 0.297 nan 8.300 nan 0.000 0.550 88 P HA -0.248 nan 4.420 nan 0.000 0.218 88 P C 0.503 177.810 177.300 0.011 0.000 1.154 88 P CA 2.023 65.046 63.100 -0.128 0.000 0.872 88 P CB -0.135 31.523 31.700 -0.070 0.000 0.790 89 D N -1.745 118.638 120.400 -0.028 0.000 2.328 89 D HA 0.106 4.750 4.640 0.008 0.000 0.226 89 D C 1.466 177.598 176.300 -0.281 0.000 1.066 89 D CA 0.348 54.323 54.000 -0.042 0.000 0.861 89 D CB -1.207 39.575 40.800 -0.030 0.000 0.912 89 D HN 0.275 nan 8.370 nan 0.000 0.521 90 G N 1.004 109.465 108.800 -0.565 0.000 2.200 90 G HA2 -0.421 3.543 3.960 0.008 0.000 0.268 90 G HA3 -0.421 3.543 3.960 0.008 0.000 0.268 90 G C 1.322 176.072 174.900 -0.251 0.000 0.986 90 G CA 0.682 45.239 45.100 -0.904 0.000 0.677 90 G HN 0.391 nan 8.290 nan 0.000 0.532 91 R N -0.133 120.282 120.500 -0.142 0.000 2.075 91 R HA 0.126 4.470 4.340 0.008 0.000 0.226 91 R C 1.407 177.664 176.300 -0.073 0.000 1.114 91 R CA 1.125 57.170 56.100 -0.093 0.000 0.972 91 R CB 0.033 30.259 30.300 -0.123 0.000 0.869 91 R HN 0.509 nan 8.270 nan 0.000 0.437 92 K N 0.620 120.957 120.400 -0.104 0.000 2.238 92 K HA 0.510 4.835 4.320 0.008 0.000 0.239 92 K C -0.974 175.743 176.600 0.195 0.000 0.987 92 K CA -0.516 55.676 56.287 -0.159 0.000 0.857 92 K CB 1.445 33.508 32.500 -0.727 0.000 1.154 92 K HN -0.136 nan 8.250 nan 0.000 0.439 93 I N 1.917 122.620 120.570 0.221 0.000 2.534 93 I HA 0.318 4.492 4.170 0.008 0.000 0.288 93 I C -0.731 175.616 176.117 0.383 0.000 1.077 93 I CA -1.007 60.473 61.300 0.300 0.000 1.051 93 I CB 2.086 40.164 38.000 0.130 0.000 1.234 93 I HN 0.636 nan 8.210 nan 0.000 0.425 94 A N 7.745 130.814 122.820 0.415 0.000 2.289 94 A HA 0.826 5.150 4.320 0.008 0.000 0.298 94 A C -0.530 177.256 177.584 0.336 0.000 1.208 94 A CA -0.244 52.069 52.037 0.460 0.000 0.845 94 A CB 0.288 19.489 19.000 0.335 0.000 1.125 94 A HN 0.664 nan 8.150 nan 0.000 0.517 95 I N 1.922 122.708 120.570 0.360 0.000 2.509 95 I HA 0.456 4.631 4.170 0.008 0.000 0.293 95 I C 0.264 176.511 176.117 0.217 0.000 1.020 95 I CA -0.566 60.876 61.300 0.238 0.000 1.088 95 I CB 1.996 40.108 38.000 0.186 0.000 1.267 95 I HN 0.755 nan 8.210 nan 0.000 0.430 96 R N 5.366 125.958 120.500 0.155 0.000 2.294 96 R HA 0.745 5.089 4.340 0.008 0.000 0.319 96 R C -1.645 174.710 176.300 0.091 0.000 0.984 96 R CA -0.427 55.748 56.100 0.125 0.000 0.861 96 R CB 1.886 32.252 30.300 0.110 0.000 1.104 96 R HN 0.540 nan 8.270 nan 0.000 0.451 97 V N 5.719 125.702 119.914 0.114 0.000 2.876 97 V HA 0.540 4.664 4.120 0.008 0.000 0.312 97 V C -1.071 175.144 176.094 0.203 0.000 1.085 97 V CA -0.855 61.505 62.300 0.100 0.000 0.945 97 V CB 2.268 34.120 31.823 0.049 0.000 1.017 97 V HN 0.883 nan 8.190 nan 0.000 0.428 98 M N 5.877 125.527 119.600 0.083 0.000 2.508 98 M HA 0.704 5.188 4.480 0.008 0.000 0.327 98 M C -0.293 176.002 176.300 -0.010 0.000 1.160 98 M CA -0.489 54.855 55.300 0.075 0.000 0.980 98 M CB 2.324 34.872 32.600 -0.087 0.000 1.693 98 M HN 0.623 nan 8.290 nan 0.000 0.452 99 R N 0.126 120.596 120.500 -0.050 0.000 2.869 99 R HA 0.865 5.210 4.340 0.008 0.000 0.263 99 R C -0.888 175.336 176.300 -0.126 0.000 1.066 99 R CA -0.918 55.056 56.100 -0.211 0.000 0.960 99 R CB 2.307 32.243 30.300 -0.607 0.000 1.221 99 R HN 0.946 nan 8.270 nan 0.000 0.474 100 G N 0.079 108.808 108.800 -0.118 0.000 2.788 100 G HA2 -0.234 3.730 3.960 0.008 0.000 0.686 100 G HA3 -0.234 3.730 3.960 0.008 0.000 0.686 100 G C 0.522 175.413 174.900 -0.015 0.000 1.147 100 G CA -0.126 44.938 45.100 -0.060 0.000 0.755 100 G HN 0.694 nan 8.290 nan 0.000 0.634 101 S N 0.214 115.925 115.700 0.019 0.000 2.380 101 S HA -0.131 4.344 4.470 0.008 0.000 0.229 101 S C 2.099 176.804 174.600 0.175 0.000 1.043 101 S CA 2.371 60.627 58.200 0.094 0.000 1.038 101 S CB -0.175 63.071 63.200 0.077 0.000 0.872 101 S HN 1.440 nan 8.310 nan 0.000 0.456 102 S N 1.386 117.135 115.700 0.082 0.000 2.634 102 S HA 0.453 4.928 4.470 0.008 0.000 0.221 102 S C 0.357 174.831 174.600 -0.209 0.000 0.952 102 S CA -0.044 58.169 58.200 0.022 0.000 0.930 102 S CB -0.595 62.615 63.200 0.017 0.000 0.780 102 S HN 0.553 nan 8.310 nan 0.000 0.498 103 L N 1.519 122.645 121.223 -0.162 0.000 3.634 103 L HA -0.287 4.057 4.340 0.008 0.000 0.423 103 L C 0.935 177.707 176.870 -0.162 0.000 1.253 103 L CA 0.577 55.295 54.840 -0.203 0.000 0.885 103 L CB -2.212 39.621 42.059 -0.375 0.000 1.789 103 L HN 0.592 nan 8.230 nan 0.000 0.904 104 N N -1.093 117.546 118.700 -0.102 0.000 2.461 104 N HA 0.012 4.757 4.740 0.008 0.000 0.188 104 N C 0.540 176.029 175.510 -0.036 0.000 1.134 104 N CA 0.543 53.543 53.050 -0.084 0.000 0.878 104 N CB 0.311 38.761 38.487 -0.063 0.000 0.972 104 N HN 0.550 nan 8.380 nan 0.000 0.456 105 T N -3.166 111.395 114.554 0.012 0.000 2.906 105 T HA 0.823 5.177 4.350 0.008 0.000 0.295 105 T C -0.901 173.926 174.700 0.211 0.000 1.061 105 T CA -0.844 61.322 62.100 0.110 0.000 1.000 105 T CB 2.199 71.177 68.868 0.183 0.000 1.103 105 T HN 0.179 nan 8.240 nan 0.000 0.486 106 A N 1.529 124.462 122.820 0.188 0.000 2.587 106 A HA 0.863 5.187 4.320 0.008 0.000 0.293 106 A C -1.635 175.823 177.584 -0.210 0.000 1.087 106 A CA -0.700 51.407 52.037 0.117 0.000 0.692 106 A CB 1.788 20.816 19.000 0.047 0.000 1.291 106 A HN 0.866 nan 8.150 nan 0.000 0.407 107 D N -0.472 119.678 120.400 -0.416 0.000 2.671 107 D HA 0.499 5.144 4.640 0.008 0.000 0.273 107 D C -1.263 174.867 176.300 -0.283 0.000 1.264 107 D CA -0.241 53.406 54.000 -0.589 0.000 0.788 107 D CB 1.564 41.603 40.800 -1.268 0.000 1.324 107 D HN 0.481 nan 8.370 nan 0.000 0.424 108 L N 0.738 121.800 121.223 -0.267 0.000 2.334 108 L HA 0.571 4.916 4.340 0.008 0.000 0.272 108 L C -0.916 175.876 176.870 -0.130 0.000 1.020 108 L CA -0.728 54.082 54.840 -0.049 0.000 0.812 108 L CB 0.942 43.004 42.059 0.004 0.000 1.264 108 L HN 0.298 nan 8.230 nan 0.000 0.439 109 Y N 0.417 120.712 120.300 -0.008 0.000 2.576 109 Y HA 0.539 5.094 4.550 0.007 0.000 0.346 109 Y C -0.620 175.495 175.900 0.360 0.000 1.018 109 Y CA -0.796 57.330 58.100 0.043 0.000 1.050 109 Y CB 2.188 40.693 38.460 0.075 0.000 1.280 109 Y HN 0.266 nan 8.280 nan 0.000 0.474 110 F N 1.711 121.818 119.950 0.260 0.000 2.495 110 F HA 0.352 4.884 4.527 0.008 0.000 0.327 110 F C -1.100 174.843 175.800 0.239 0.000 1.103 110 F CA -1.163 56.978 58.000 0.234 0.000 0.949 110 F CB 1.766 40.839 39.000 0.122 0.000 1.142 110 F HN 0.411 nan 8.300 nan 0.000 0.457 111 Y N 4.170 124.627 120.300 0.261 0.000 2.341 111 Y HA 0.315 4.870 4.550 0.008 0.000 0.338 111 Y C -0.874 175.061 175.900 0.058 0.000 0.965 111 Y CA -1.121 57.058 58.100 0.131 0.000 1.108 111 Y CB 1.027 39.532 38.460 0.075 0.000 1.180 111 Y HN 0.460 nan 8.280 nan 0.000 0.458 112 N N 3.744 122.044 118.700 -0.667 0.000 2.457 112 N HA 0.201 4.946 4.740 0.008 0.000 0.250 112 N C 0.792 175.816 175.510 -0.810 0.000 0.982 112 N CA 0.479 53.202 53.050 -0.546 0.000 0.941 112 N CB 1.674 39.981 38.487 -0.300 0.000 1.120 112 N HN 1.090 nan 8.380 nan 0.000 0.505 113 G N 2.461 110.956 108.800 -0.508 0.000 2.509 113 G HA2 -0.197 3.767 3.960 0.008 0.000 0.218 113 G HA3 -0.197 3.767 3.960 0.008 0.000 0.218 113 G C 1.225 176.038 174.900 -0.146 0.000 1.124 113 G CA 0.415 45.367 45.100 -0.247 0.000 0.776 113 G HN 0.542 nan 8.290 nan 0.000 0.547 114 E N 1.403 121.508 120.200 -0.159 0.000 2.046 114 E HA -0.085 4.269 4.350 0.008 0.000 0.190 114 E C 2.092 178.637 176.600 -0.091 0.000 0.982 114 E CA 1.544 57.884 56.400 -0.099 0.000 0.800 114 E CB -0.001 29.642 29.700 -0.096 0.000 0.756 114 E HN 0.622 nan 8.360 nan 0.000 0.449 115 N N -2.127 116.497 118.700 -0.127 0.000 2.171 115 N HA 0.163 4.908 4.740 0.008 0.000 0.212 115 N C 0.699 176.154 175.510 -0.092 0.000 1.184 115 N CA 0.590 53.588 53.050 -0.088 0.000 0.888 115 N CB 0.735 39.178 38.487 -0.073 0.000 1.038 115 N HN 0.137 nan 8.380 nan 0.000 0.517 116 G N 0.306 108.994 108.800 -0.187 0.000 2.176 116 G HA2 -0.345 3.620 3.960 0.008 0.000 0.252 116 G HA3 -0.345 3.620 3.960 0.008 0.000 0.252 116 G C -0.468 174.394 174.900 -0.064 0.000 1.024 116 G CA 0.327 45.353 45.100 -0.123 0.000 0.755 116 G HN 0.648 nan 8.290 nan 0.000 0.507 117 E N -0.331 119.776 120.200 -0.155 0.000 2.289 117 E HA 0.520 4.875 4.350 0.008 0.000 0.278 117 E C -0.241 176.381 176.600 0.036 0.000 1.032 117 E CA -0.867 55.511 56.400 -0.037 0.000 0.854 117 E CB 0.570 30.243 29.700 -0.044 0.000 1.046 117 E HN 0.304 nan 8.360 nan 0.000 0.409 118 I N 4.140 124.801 120.570 0.151 0.000 2.493 118 I HA 0.419 4.594 4.170 0.008 0.000 0.298 118 I C -1.384 174.872 176.117 0.232 0.000 0.998 118 I CA -0.469 60.988 61.300 0.263 0.000 1.137 118 I CB 1.459 39.622 38.000 0.271 0.000 1.310 118 I HN 0.413 nan 8.210 nan 0.000 0.445 119 K N 6.045 126.609 120.400 0.274 0.000 2.565 119 K HA 0.421 4.746 4.320 0.008 0.000 0.251 119 K C -1.180 175.340 176.600 -0.134 0.000 0.956 119 K CA -0.592 55.759 56.287 0.107 0.000 0.809 119 K CB 1.176 33.706 32.500 0.051 0.000 1.267 119 K HN 0.617 nan 8.250 nan 0.000 0.438 120 R N 5.225 125.443 120.500 -0.471 0.000 2.442 120 R HA 0.186 4.530 4.340 0.008 0.000 0.291 120 R C 0.210 176.089 176.300 -0.702 0.000 1.069 120 R CA -0.138 55.255 56.100 -1.177 0.000 1.022 120 R CB 0.378 29.955 30.300 -1.205 0.000 0.976 120 R HN 0.685 nan 8.270 nan 0.000 0.443 121 I N 2.192 122.309 120.570 -0.755 0.000 3.445 121 I HA -0.004 4.170 4.170 0.008 0.000 0.288 121 I C 0.967 176.845 176.117 -0.399 0.000 1.198 121 I CA 0.772 61.733 61.300 -0.566 0.000 1.417 121 I CB -0.423 37.079 38.000 -0.830 0.000 1.205 121 I HN 0.649 nan 8.210 nan 0.000 0.448 122 T N -1.721 112.475 114.554 -0.597 0.000 2.855 122 T HA 0.520 4.874 4.350 0.008 0.000 0.281 122 T C -0.807 173.342 174.700 -0.919 0.000 1.007 122 T CA -0.311 61.366 62.100 -0.705 0.000 1.009 122 T CB 1.775 70.227 68.868 -0.694 0.000 0.983 122 T HN 0.042 nan 8.240 nan 0.000 0.455 123 Y N 1.685 121.527 120.300 -0.763 0.000 2.516 123 Y HA 0.427 4.982 4.550 0.007 0.000 0.341 123 Y C 0.407 176.104 175.900 -0.338 0.000 0.912 123 Y CA -1.529 56.315 58.100 -0.426 0.000 1.167 123 Y CB -0.202 38.137 38.460 -0.203 0.000 1.195 123 Y HN 0.767 nan 8.280 nan 0.000 0.610 124 F N -1.447 118.389 119.950 -0.191 0.000 2.656 124 F HA 0.023 4.554 4.527 0.007 0.000 0.291 124 F C 1.581 177.305 175.800 -0.127 0.000 1.122 124 F CA 0.220 58.102 58.000 -0.197 0.000 1.427 124 F CB 0.361 39.170 39.000 -0.318 0.000 1.125 124 F HN 0.103 nan 8.300 nan 0.000 0.583 125 S N 1.323 117.036 115.700 0.023 0.000 3.628 125 S HA -0.151 4.324 4.470 0.008 0.000 0.373 125 S C 0.519 175.150 174.600 0.051 0.000 0.968 125 S CA 0.013 58.250 58.200 0.062 0.000 1.215 125 S CB -1.550 61.723 63.200 0.122 0.000 0.912 125 S HN 0.595 nan 8.310 nan 0.000 0.495 126 G N 1.826 110.641 108.800 0.025 0.000 2.353 126 G HA2 0.260 4.225 3.960 0.008 0.000 0.239 126 G HA3 0.260 4.225 3.960 0.008 0.000 0.239 126 G C 0.007 174.907 174.900 0.000 0.000 1.295 126 G CA -0.315 44.786 45.100 0.001 0.000 0.884 126 G HN 0.674 nan 8.290 nan 0.000 0.537 127 K N 0.846 121.232 120.400 -0.024 0.000 2.382 127 K HA 0.350 4.674 4.320 0.008 0.000 0.275 127 K C 0.195 176.744 176.600 -0.085 0.000 1.009 127 K CA 0.187 56.443 56.287 -0.051 0.000 0.970 127 K CB 0.994 33.451 32.500 -0.071 0.000 0.934 127 K HN 0.407 nan 8.250 nan 0.000 0.479 128 S N 0.975 116.599 115.700 -0.127 0.000 2.546 128 S HA 0.511 4.985 4.470 0.008 0.000 0.274 128 S C -1.165 173.288 174.600 -0.244 0.000 1.121 128 S CA -0.677 57.408 58.200 -0.192 0.000 0.887 128 S CB 1.569 64.694 63.200 -0.126 0.000 1.094 128 S HN 0.689 nan 8.310 nan 0.000 0.474 129 T N 0.376 114.731 114.554 -0.331 0.000 2.896 129 T HA 0.615 4.969 4.350 0.008 0.000 0.297 129 T C 1.326 175.834 174.700 -0.320 0.000 1.108 129 T CA -0.154 61.748 62.100 -0.329 0.000 1.004 129 T CB 0.949 69.576 68.868 -0.400 0.000 1.159 129 T HN 0.777 nan 8.240 nan 0.000 0.499 130 G N 1.075 109.712 108.800 -0.272 0.000 2.469 130 G HA2 -0.225 3.740 3.960 0.008 0.000 0.220 130 G HA3 -0.225 3.740 3.960 0.008 0.000 0.220 130 G C 1.444 176.198 174.900 -0.243 0.000 1.136 130 G CA 0.944 45.925 45.100 -0.197 0.000 0.759 130 G HN 0.964 nan 8.290 nan 0.000 0.562 131 R N -0.543 119.721 120.500 -0.393 0.000 2.276 131 R HA 0.241 4.586 4.340 0.008 0.000 0.196 131 R C 0.538 176.548 176.300 -0.483 0.000 0.961 131 R CA 0.091 55.927 56.100 -0.439 0.000 1.024 131 R CB 0.237 30.115 30.300 -0.703 0.000 0.940 131 R HN 0.136 nan 8.270 nan 0.000 0.480 132 R N 1.188 121.298 120.500 -0.650 0.000 2.718 132 R HA 0.299 4.643 4.340 0.008 0.000 0.266 132 R C -0.816 174.888 176.300 -0.992 0.000 1.776 132 R CA -0.189 55.227 56.100 -1.140 0.000 1.567 132 R CB 1.267 30.702 30.300 -1.440 0.000 1.336 132 R HN 0.085 nan 8.270 nan 0.000 0.619 133 M N 2.914 122.211 119.600 -0.504 0.000 3.237 133 M HA 0.247 4.732 4.480 0.008 0.000 0.266 133 M C -0.331 176.005 176.300 0.060 0.000 1.456 133 M CA 0.535 55.715 55.300 -0.200 0.000 1.593 133 M CB -0.209 32.352 32.600 -0.064 0.000 1.129 133 M HN 0.261 nan 8.290 nan 0.000 0.547 134 F N 0.578 120.431 119.950 -0.162 0.000 2.375 134 F HA 0.234 4.765 4.527 0.008 0.000 0.313 134 F C 1.193 176.939 175.800 -0.090 0.000 1.176 134 F CA -0.698 57.222 58.000 -0.134 0.000 1.142 134 F CB 1.044 39.949 39.000 -0.157 0.000 1.275 134 F HN 0.391 nan 8.300 nan 0.000 0.544 135 T N 1.580 116.188 114.554 0.090 0.000 2.422 135 T HA -0.148 4.207 4.350 0.008 0.000 0.524 135 T C -1.078 173.649 174.700 0.044 0.000 0.835 135 T CA 0.077 62.192 62.100 0.024 0.000 2.787 135 T CB -0.845 68.037 68.868 0.023 0.000 1.749 135 T HN 0.728 nan 8.240 nan 0.000 0.524 136 D N 0.420 120.838 120.400 0.030 0.000 2.677 136 D HA 0.509 5.154 4.640 0.008 0.000 0.298 136 D C -0.506 175.808 176.300 0.022 0.000 1.250 136 D CA -0.534 53.495 54.000 0.049 0.000 0.888 136 D CB 1.574 42.415 40.800 0.069 0.000 1.397 136 D HN 0.293 nan 8.370 nan 0.000 0.461 137 V N 1.470 121.402 119.914 0.030 0.000 2.572 137 V HA 0.486 4.610 4.120 0.008 0.000 0.291 137 V C 1.158 177.209 176.094 -0.072 0.000 1.039 137 V CA 0.767 63.042 62.300 -0.042 0.000 1.055 137 V CB 0.802 32.605 31.823 -0.033 0.000 0.969 137 V HN 0.709 nan 8.190 nan 0.000 0.482 138 A N 3.562 126.316 122.820 -0.111 0.000 2.035 138 A HA 0.721 5.046 4.320 0.008 0.000 0.208 138 A C 0.995 178.575 177.584 -0.007 0.000 1.206 138 A CA 0.826 52.815 52.037 -0.080 0.000 0.773 138 A CB 0.267 19.227 19.000 -0.067 0.000 0.878 138 A HN 1.315 nan 8.150 nan 0.000 0.469 139 G N -2.023 106.701 108.800 -0.128 0.000 2.323 139 G HA2 0.443 4.408 3.960 0.008 0.000 0.291 139 G HA3 0.443 4.408 3.960 0.008 0.000 0.291 139 G C -1.791 172.906 174.900 -0.339 0.000 1.278 139 G CA -0.716 44.369 45.100 -0.024 0.000 0.860 139 G HN 0.247 nan 8.290 nan 0.000 0.504 140 F N 1.286 121.329 119.950 0.156 0.000 2.547 140 F HA 0.486 5.017 4.527 0.007 0.000 0.316 140 F C -0.017 175.762 175.800 -0.034 0.000 1.121 140 F CA -0.714 57.307 58.000 0.034 0.000 0.911 140 F CB 2.306 41.274 39.000 -0.053 0.000 1.179 140 F HN 0.658 nan 8.300 nan 0.000 0.443 141 D N 2.341 122.699 120.400 -0.071 0.000 2.398 141 D HA 0.253 4.898 4.640 0.008 0.000 0.247 141 D C -2.141 173.883 176.300 -0.460 0.000 1.227 141 D CA -2.102 51.477 54.000 -0.702 0.000 0.980 141 D CB 0.252 40.777 40.800 -0.459 0.000 1.106 141 D HN 0.165 nan 8.370 nan 0.000 0.493 142 P HA -0.105 nan 4.420 nan 0.000 0.218 142 P C 0.168 177.410 177.300 -0.097 0.000 1.146 142 P CA 1.138 64.100 63.100 -0.230 0.000 0.813 142 P CB 0.121 31.715 31.700 -0.178 0.000 0.778 143 D N -2.345 118.005 120.400 -0.084 0.000 2.340 143 D HA 0.144 4.788 4.640 0.008 0.000 0.220 143 D C 1.544 177.868 176.300 0.040 0.000 1.039 143 D CA 0.899 54.893 54.000 -0.010 0.000 0.866 143 D CB -0.349 40.453 40.800 0.002 0.000 0.913 143 D HN 0.125 nan 8.370 nan 0.000 0.523 144 G N 0.869 109.706 108.800 0.062 0.000 2.141 144 G HA2 -0.276 3.688 3.960 0.008 0.000 0.231 144 G HA3 -0.276 3.688 3.960 0.008 0.000 0.231 144 G C 0.041 175.120 174.900 0.297 0.000 0.984 144 G CA -0.363 44.837 45.100 0.165 0.000 0.660 144 G HN 0.362 nan 8.290 nan 0.000 0.525 145 N N -0.231 118.594 118.700 0.210 0.000 2.530 145 N HA 0.533 5.277 4.740 0.008 0.000 0.277 145 N C 0.089 175.726 175.510 0.212 0.000 1.168 145 N CA -0.632 52.562 53.050 0.239 0.000 0.979 145 N CB 1.331 39.903 38.487 0.142 0.000 1.141 145 N HN 0.288 nan 8.380 nan 0.000 0.459 146 L N 2.986 124.325 121.223 0.194 0.000 2.367 146 L HA 0.320 4.664 4.340 0.008 0.000 0.275 146 L C -1.040 175.795 176.870 -0.058 0.000 1.129 146 L CA 0.106 54.867 54.840 -0.131 0.000 0.839 146 L CB 0.263 42.340 42.059 0.030 0.000 1.133 146 L HN 0.441 nan 8.230 nan 0.000 0.453 147 I N 6.969 127.423 120.570 -0.193 0.000 2.355 147 I HA 0.341 4.515 4.170 0.008 0.000 0.288 147 I C 0.154 176.250 176.117 -0.036 0.000 0.999 147 I CA -0.410 60.880 61.300 -0.016 0.000 1.163 147 I CB 0.994 39.029 38.000 0.058 0.000 1.316 147 I HN 0.659 nan 8.210 nan 0.000 0.454 148 I N 2.031 122.652 120.570 0.085 0.000 2.707 148 I HA 0.694 4.868 4.170 0.008 0.000 0.309 148 I C 0.042 176.202 176.117 0.072 0.000 1.001 148 I CA -0.586 60.761 61.300 0.079 0.000 1.129 148 I CB 2.138 40.234 38.000 0.161 0.000 1.308 148 I HN 0.467 nan 8.210 nan 0.000 0.466 149 S N 2.283 117.984 115.700 0.001 0.000 2.478 149 S HA 0.674 5.148 4.470 0.008 0.000 0.312 149 S C -0.604 173.945 174.600 -0.085 0.000 1.094 149 S CA -0.220 57.937 58.200 -0.072 0.000 1.081 149 S CB 0.948 64.059 63.200 -0.148 0.000 1.007 149 S HN 0.935 nan 8.310 nan 0.000 0.475 150 T N 2.197 116.693 114.554 -0.096 0.000 2.957 150 T HA 0.327 4.681 4.350 0.008 0.000 0.336 150 T C -0.855 173.716 174.700 -0.216 0.000 1.462 150 T CA -0.597 61.399 62.100 -0.172 0.000 1.073 150 T CB 1.258 69.980 68.868 -0.244 0.000 1.319 150 T HN 0.729 nan 8.240 nan 0.000 0.485 151 D N 2.139 122.394 120.400 -0.242 0.000 2.363 151 D HA 0.190 4.834 4.640 0.008 0.000 0.214 151 D C 1.703 177.823 176.300 -0.299 0.000 1.093 151 D CA 0.253 54.106 54.000 -0.244 0.000 0.837 151 D CB 0.108 40.808 40.800 -0.166 0.000 0.948 151 D HN 0.527 nan 8.370 nan 0.000 0.507 152 A N 0.956 123.526 122.820 -0.416 0.000 1.958 152 A HA -0.159 4.165 4.320 0.008 0.000 0.221 152 A C 1.854 179.138 177.584 -0.500 0.000 1.178 152 A CA 1.304 53.037 52.037 -0.507 0.000 0.642 152 A CB -0.400 18.069 19.000 -0.885 0.000 0.816 152 A HN 0.218 nan 8.150 nan 0.000 0.453 153 M N 0.026 119.299 119.600 -0.545 0.000 2.756 153 M HA 0.242 4.726 4.480 0.008 0.000 0.320 153 M C -0.577 175.525 176.300 -0.331 0.000 1.245 153 M CA 0.272 55.322 55.300 -0.417 0.000 0.972 153 M CB 0.781 33.139 32.600 -0.404 0.000 1.327 153 M HN 0.215 nan 8.290 nan 0.000 0.505 154 Q N -0.141 119.455 119.800 -0.339 0.000 2.413 154 Q HA 0.486 4.830 4.340 0.008 0.000 0.276 154 Q C -1.974 173.757 176.000 -0.448 0.000 1.099 154 Q CA -1.844 53.747 55.803 -0.354 0.000 0.814 154 Q CB 1.334 29.883 28.738 -0.315 0.000 1.379 154 Q HN -0.041 nan 8.270 nan 0.000 0.436 155 P HA -0.019 nan 4.420 nan 0.000 0.230 155 P C -0.464 176.173 177.300 -1.105 0.000 1.158 155 P CA 0.996 63.591 63.100 -0.841 0.000 0.769 155 P CB 0.279 31.351 31.700 -1.047 0.000 0.807 156 F N -0.595 119.053 119.950 -0.502 0.000 2.578 156 F HA 0.221 4.752 4.527 0.007 0.000 0.311 156 F C 1.763 177.358 175.800 -0.341 0.000 1.094 156 F CA -0.818 56.907 58.000 -0.458 0.000 0.923 156 F CB 1.333 39.886 39.000 -0.745 0.000 1.230 156 F HN -0.354 nan 8.300 nan 0.000 0.450 157 S N -0.549 115.144 115.700 -0.011 0.000 2.419 157 S HA -0.153 4.321 4.470 0.008 0.000 0.233 157 S C 1.640 176.302 174.600 0.104 0.000 1.016 157 S CA 1.605 59.829 58.200 0.040 0.000 0.974 157 S CB -0.393 62.834 63.200 0.044 0.000 0.786 157 S HN 0.549 nan 8.310 nan 0.000 0.492 158 S N 0.935 116.628 115.700 -0.012 0.000 2.515 158 S HA 0.284 4.759 4.470 0.008 0.000 0.231 158 S C 0.840 175.179 174.600 -0.434 0.000 0.987 158 S CA 0.393 58.461 58.200 -0.220 0.000 0.936 158 S CB -0.403 62.471 63.200 -0.542 0.000 0.766 158 S HN 0.547 nan 8.310 nan 0.000 0.528 159 M N 3.126 122.515 119.600 -0.352 0.000 3.586 159 M HA 0.053 4.538 4.480 0.008 0.000 0.225 159 M C 0.009 176.097 176.300 -0.355 0.000 1.428 159 M CA -0.063 55.017 55.300 -0.368 0.000 1.613 159 M CB -0.298 32.074 32.600 -0.380 0.000 1.063 159 M HN 0.070 nan 8.290 nan 0.000 0.593 160 T N -1.135 113.165 114.554 -0.423 0.000 3.185 160 T HA 0.257 4.612 4.350 0.008 0.000 0.287 160 T C 0.228 174.723 174.700 -0.341 0.000 1.051 160 T CA -0.795 61.047 62.100 -0.430 0.000 1.051 160 T CB -0.684 67.781 68.868 -0.671 0.000 1.034 160 T HN 0.425 nan 8.240 nan 0.000 0.685 161 C N 3.898 123.023 119.300 -0.292 0.000 2.595 161 C HA 0.461 4.926 4.460 0.008 0.000 0.384 161 C C 0.966 175.729 174.990 -0.377 0.000 1.289 161 C CA -1.119 57.665 59.018 -0.389 0.000 2.372 161 C CB -0.196 27.258 27.740 -0.478 0.000 2.593 161 C HN 0.781 nan 8.230 nan 0.000 0.639 162 L N 1.987 122.928 121.223 -0.470 0.000 2.312 162 L HA 0.460 4.804 4.340 0.008 0.000 0.281 162 L C -0.916 175.678 176.870 -0.461 0.000 1.070 162 L CA -0.050 54.603 54.840 -0.310 0.000 0.805 162 L CB 0.239 42.170 42.059 -0.212 0.000 1.174 162 L HN 0.649 nan 8.230 nan 0.000 0.434 163 Y N 1.359 121.671 120.300 0.020 0.000 2.492 163 Y HA 0.433 4.987 4.550 0.008 0.000 0.346 163 Y C -0.145 175.842 175.900 0.144 0.000 0.997 163 Y CA -0.844 57.319 58.100 0.106 0.000 1.025 163 Y CB 1.949 40.518 38.460 0.181 0.000 1.263 163 Y HN 0.470 nan 8.280 nan 0.000 0.454 164 R N 1.902 122.578 120.500 0.293 0.000 2.308 164 R HA 0.621 4.966 4.340 0.008 0.000 0.305 164 R C -1.484 174.939 176.300 0.204 0.000 1.053 164 R CA -0.446 55.779 56.100 0.209 0.000 0.957 164 R CB 0.722 31.116 30.300 0.157 0.000 1.022 164 R HN 0.573 nan 8.270 nan 0.000 0.461 165 V N 4.897 124.906 119.914 0.159 0.000 2.461 165 V HA 0.197 4.322 4.120 0.008 0.000 0.275 165 V C 0.000 176.100 176.094 0.009 0.000 1.047 165 V CA -0.086 62.228 62.300 0.024 0.000 0.955 165 V CB 1.209 33.110 31.823 0.131 0.000 0.988 165 V HN 0.841 nan 8.190 nan 0.000 0.471 166 E N 3.754 123.882 120.200 -0.120 0.000 2.244 166 E HA 0.412 4.767 4.350 0.008 0.000 0.266 166 E C -0.272 176.282 176.600 -0.076 0.000 0.914 166 E CA -0.849 55.525 56.400 -0.043 0.000 0.794 166 E CB 1.169 30.857 29.700 -0.021 0.000 1.210 166 E HN 0.681 nan 8.360 nan 0.000 0.414 167 N N 2.926 121.617 118.700 -0.014 0.000 2.714 167 N HA -0.195 4.550 4.740 0.008 0.000 0.252 167 N C -1.040 174.451 175.510 -0.031 0.000 1.014 167 N CA 1.063 54.101 53.050 -0.020 0.000 0.735 167 N CB -0.948 37.513 38.487 -0.044 0.000 0.924 167 N HN 0.715 nan 8.380 nan 0.000 0.540 168 D N -1.286 119.122 120.400 0.014 0.000 2.708 168 D HA -0.175 4.469 4.640 0.008 0.000 0.236 168 D C 1.203 177.391 176.300 -0.185 0.000 1.146 168 D CA 2.291 56.266 54.000 -0.041 0.000 0.662 168 D CB -1.426 39.365 40.800 -0.014 0.000 1.059 168 D HN 0.898 nan 8.370 nan 0.000 0.428 169 G N -1.197 107.444 108.800 -0.265 0.000 2.176 169 G HA2 -0.330 3.635 3.960 0.008 0.000 0.232 169 G HA3 -0.330 3.635 3.960 0.008 0.000 0.232 169 G C 1.066 175.846 174.900 -0.199 0.000 0.986 169 G CA 0.171 45.056 45.100 -0.358 0.000 0.643 169 G HN 0.429 nan 8.290 nan 0.000 0.522 170 I N 0.615 121.126 120.570 -0.097 0.000 2.394 170 I HA 0.055 4.230 4.170 0.008 0.000 0.251 170 I C 1.117 177.386 176.117 0.252 0.000 1.136 170 I CA 1.756 63.120 61.300 0.106 0.000 1.425 170 I CB -0.687 37.322 38.000 0.014 0.000 1.079 170 I HN 0.494 nan 8.210 nan 0.000 0.425 171 N N -0.428 118.246 118.700 -0.044 0.000 2.396 171 N HA 0.400 5.144 4.740 0.008 0.000 0.275 171 N C -1.691 173.645 175.510 -0.291 0.000 1.218 171 N CA -0.459 52.657 53.050 0.111 0.000 0.812 171 N CB 1.478 40.032 38.487 0.111 0.000 1.592 171 N HN -0.193 nan 8.380 nan 0.000 0.480 172 F N 1.245 121.337 119.950 0.237 0.000 2.536 172 F HA 0.476 5.007 4.527 0.007 0.000 0.322 172 F C -0.534 175.424 175.800 0.263 0.000 1.144 172 F CA -0.847 57.265 58.000 0.186 0.000 0.924 172 F CB 1.931 40.945 39.000 0.023 0.000 1.181 172 F HN 0.082 nan 8.300 nan 0.000 0.438 173 V N 5.389 125.541 119.914 0.397 0.000 2.347 173 V HA 0.388 4.512 4.120 0.008 0.000 0.280 173 V C -2.065 174.218 176.094 0.315 0.000 1.021 173 V CA -1.979 60.512 62.300 0.318 0.000 0.847 173 V CB 1.363 33.303 31.823 0.195 0.000 0.990 173 V HN 0.463 nan 8.190 nan 0.000 0.444 174 P HA 0.180 nan 4.420 nan 0.000 0.271 174 P C 0.459 177.717 177.300 -0.070 0.000 1.216 174 P CA -0.021 63.032 63.100 -0.079 0.000 0.776 174 P CB 1.466 33.122 31.700 -0.075 0.000 0.881 175 L N 1.731 122.856 121.223 -0.163 0.000 2.477 175 L HA 0.058 4.403 4.340 0.008 0.000 0.220 175 L C 0.439 177.249 176.870 -0.100 0.000 1.106 175 L CA 0.333 55.129 54.840 -0.074 0.000 0.851 175 L CB -0.928 41.095 42.059 -0.060 0.000 0.994 175 L HN 0.472 nan 8.230 nan 0.000 0.462 176 N N 0.135 118.728 118.700 -0.180 0.000 2.740 176 N HA -0.207 4.537 4.740 0.008 0.000 0.248 176 N C 0.358 175.768 175.510 -0.166 0.000 1.062 176 N CA 0.062 53.026 53.050 -0.143 0.000 0.704 176 N CB -1.248 37.220 38.487 -0.032 0.000 0.968 176 N HN 0.277 nan 8.380 nan 0.000 0.547 177 L N -0.425 120.617 121.223 -0.301 0.000 2.667 177 L HA 0.325 4.670 4.340 0.008 0.000 0.232 177 L C 1.420 177.907 176.870 -0.639 0.000 1.138 177 L CA 0.337 54.944 54.840 -0.389 0.000 0.921 177 L CB -0.047 41.788 42.059 -0.373 0.000 1.180 177 L HN 0.474 nan 8.230 nan 0.000 0.487 178 G N 1.193 109.437 108.800 -0.926 0.000 2.760 178 G HA2 -0.180 3.785 3.960 0.008 0.000 0.246 178 G HA3 -0.180 3.785 3.960 0.008 0.000 0.246 178 G C -2.774 171.582 174.900 -0.905 0.000 1.359 178 G CA -0.950 43.113 45.100 -1.728 0.000 0.861 178 G HN 0.022 nan 8.290 nan 0.000 0.541 179 P HA 0.503 nan 4.420 nan 0.000 0.271 179 P C -0.107 177.011 177.300 -0.304 0.000 1.220 179 P CA 1.044 63.893 63.100 -0.418 0.000 0.768 179 P CB 1.218 32.746 31.700 -0.288 0.000 0.848 180 A N 2.722 125.388 122.820 -0.257 0.000 2.612 180 A HA 0.594 4.918 4.320 0.008 0.000 0.293 180 A C 0.641 178.144 177.584 -0.136 0.000 1.075 180 A CA -0.346 51.594 52.037 -0.163 0.000 0.680 180 A CB 0.849 19.739 19.000 -0.184 0.000 1.279 180 A HN 0.367 nan 8.150 nan 0.000 0.411 181 T N 0.042 114.564 114.554 -0.054 0.000 3.046 181 T HA 0.243 4.597 4.350 0.008 0.000 0.242 181 T C 0.176 174.713 174.700 -0.272 0.000 1.018 181 T CA 1.374 63.408 62.100 -0.111 0.000 1.131 181 T CB -0.218 68.678 68.868 0.046 0.000 0.904 181 T HN 0.732 nan 8.240 nan 0.000 0.459 182 H N -0.621 118.462 119.070 0.023 0.000 2.821 182 H HA 0.739 5.300 4.556 0.008 0.000 0.373 182 H C -1.192 174.132 175.328 -0.006 0.000 1.165 182 H CA -0.801 55.264 56.048 0.029 0.000 1.154 182 H CB 2.224 32.022 29.762 0.060 0.000 1.765 182 H HN 0.095 nan 8.280 nan 0.000 0.549 183 I N 2.834 123.480 120.570 0.127 0.000 2.569 183 I HA 0.406 4.581 4.170 0.008 0.000 0.290 183 I C -1.726 174.390 176.117 -0.001 0.000 1.088 183 I CA -0.567 60.725 61.300 -0.013 0.000 1.047 183 I CB 1.027 38.976 38.000 -0.085 0.000 1.237 183 I HN 0.413 nan 8.210 nan 0.000 0.421 184 L N 6.629 127.783 121.223 -0.116 0.000 2.354 184 L HA 0.601 4.946 4.340 0.008 0.000 0.264 184 L C -1.489 175.248 176.870 -0.221 0.000 1.008 184 L CA -0.740 54.105 54.840 0.008 0.000 0.819 184 L CB 2.148 44.258 42.059 0.086 0.000 1.339 184 L HN 0.432 nan 8.230 nan 0.000 0.420 185 F N 1.059 121.077 119.950 0.113 0.000 2.477 185 F HA 0.742 5.273 4.527 0.007 0.000 0.335 185 F C 0.122 175.961 175.800 0.066 0.000 1.130 185 F CA -0.593 57.464 58.000 0.095 0.000 0.948 185 F CB 1.999 41.059 39.000 0.099 0.000 1.154 185 F HN 0.406 nan 8.300 nan 0.000 0.439 186 A N 2.090 125.018 122.820 0.181 0.000 2.398 186 A HA 0.622 4.946 4.320 0.008 0.000 0.301 186 A C -0.575 177.068 177.584 0.099 0.000 1.041 186 A CA -0.831 51.264 52.037 0.097 0.000 0.711 186 A CB 0.761 19.781 19.000 0.032 0.000 1.240 186 A HN 0.801 nan 8.150 nan 0.000 0.420 187 D N 1.594 122.053 120.400 0.098 0.000 2.701 187 D HA -0.219 4.426 4.640 0.008 0.000 0.235 187 D C 1.183 177.547 176.300 0.105 0.000 1.155 187 D CA 2.613 56.685 54.000 0.120 0.000 0.649 187 D CB -1.281 39.609 40.800 0.150 0.000 1.050 187 D HN 2.094 nan 8.370 nan 0.000 0.425 188 G N -0.277 108.596 108.800 0.123 0.000 2.184 188 G HA2 -0.384 3.581 3.960 0.008 0.000 0.264 188 G HA3 -0.384 3.581 3.960 0.008 0.000 0.264 188 G C 0.397 175.374 174.900 0.129 0.000 0.975 188 G CA 0.875 46.050 45.100 0.125 0.000 0.642 188 G HN 0.764 nan 8.290 nan 0.000 0.536 189 R N -0.698 119.866 120.500 0.108 0.000 2.828 189 R HA 0.833 5.178 4.340 0.008 0.000 0.264 189 R C -0.161 176.161 176.300 0.037 0.000 1.022 189 R CA -1.172 54.957 56.100 0.047 0.000 1.021 189 R CB 1.316 31.599 30.300 -0.029 0.000 1.163 189 R HN 0.178 nan 8.270 nan 0.000 0.494 190 R N 0.750 121.228 120.500 -0.037 0.000 2.368 190 R HA 0.383 4.727 4.340 0.008 0.000 0.302 190 R C -0.831 175.472 176.300 0.005 0.000 1.002 190 R CA -0.824 55.210 56.100 -0.109 0.000 0.929 190 R CB 1.891 32.204 30.300 0.022 0.000 1.073 190 R HN 0.292 nan 8.270 nan 0.000 0.464 191 V N 5.431 125.305 119.914 -0.066 0.000 2.384 191 V HA 0.398 4.523 4.120 0.008 0.000 0.287 191 V C 0.072 176.199 176.094 0.055 0.000 1.020 191 V CA -0.585 61.745 62.300 0.050 0.000 0.850 191 V CB 1.527 33.371 31.823 0.035 0.000 0.987 191 V HN 0.632 nan 8.190 nan 0.000 0.436 192 I N 3.948 124.613 120.570 0.157 0.000 2.378 192 I HA 0.568 4.742 4.170 0.008 0.000 0.291 192 I C 0.741 176.938 176.117 0.135 0.000 0.992 192 I CA -0.316 61.045 61.300 0.101 0.000 1.154 192 I CB 1.871 39.888 38.000 0.027 0.000 1.315 192 I HN 0.716 nan 8.210 nan 0.000 0.448 193 G N 6.314 115.179 108.800 0.108 0.000 2.347 193 G HA2 0.539 4.504 3.960 0.008 0.000 0.314 193 G HA3 0.539 4.504 3.960 0.008 0.000 0.314 193 G C -0.425 174.539 174.900 0.108 0.000 1.126 193 G CA -0.587 44.584 45.100 0.119 0.000 0.929 193 G HN 0.549 nan 8.290 nan 0.000 0.441 194 R N 2.037 122.591 120.500 0.089 0.000 2.294 194 R HA 0.246 4.590 4.340 0.008 0.000 0.319 194 R C 0.218 176.537 176.300 0.030 0.000 0.984 194 R CA -0.561 55.579 56.100 0.066 0.000 0.861 194 R CB 0.963 31.317 30.300 0.091 0.000 1.104 194 R HN 0.817 nan 8.270 nan 0.000 0.451 195 N N -0.266 118.454 118.700 0.033 0.000 2.714 195 N HA -0.212 4.533 4.740 0.008 0.000 0.250 195 N C 0.084 175.315 175.510 -0.465 0.000 1.117 195 N CA 1.149 54.084 53.050 -0.191 0.000 0.719 195 N CB -0.932 37.555 38.487 0.001 0.000 1.081 195 N HN 0.751 nan 8.380 nan 0.000 0.557 196 T N -2.288 112.160 114.554 -0.175 0.000 3.380 196 T HA 0.218 4.572 4.350 0.008 0.000 0.250 196 T C 0.413 175.215 174.700 0.170 0.000 1.082 196 T CA -0.490 61.562 62.100 -0.079 0.000 0.968 196 T CB -0.798 68.103 68.868 0.055 0.000 1.027 196 T HN 0.360 nan 8.240 nan 0.000 0.575 197 F N 0.399 120.613 119.950 0.440 0.000 2.378 197 F HA 0.705 5.237 4.527 0.008 0.000 0.319 197 F C 0.369 176.459 175.800 0.485 0.000 1.155 197 F CA -1.922 56.336 58.000 0.431 0.000 1.157 197 F CB 0.385 39.598 39.000 0.355 0.000 1.252 197 F HN -0.171 nan 8.300 nan 0.000 0.550 198 E N 1.155 121.754 120.200 0.666 0.000 2.404 198 E HA 0.226 4.581 4.350 0.008 0.000 0.261 198 E C -0.493 176.405 176.600 0.497 0.000 1.074 198 E CA -0.008 56.705 56.400 0.522 0.000 0.917 198 E CB 1.049 31.002 29.700 0.421 0.000 0.965 198 E HN 0.661 nan 8.360 nan 0.000 0.433 199 L N 3.854 125.245 121.223 0.280 0.000 2.637 199 L HA 0.169 4.514 4.340 0.008 0.000 0.241 199 L C -1.525 175.403 176.870 0.095 0.000 1.398 199 L CA -1.265 53.661 54.840 0.144 0.000 0.895 199 L CB 1.211 43.128 42.059 -0.237 0.000 1.183 199 L HN 0.255 nan 8.230 nan 0.000 0.497 200 P HA -0.200 nan 4.420 nan 0.000 0.220 200 P C 1.105 178.463 177.300 0.096 0.000 1.148 200 P CA 1.356 64.525 63.100 0.115 0.000 0.803 200 P CB -0.082 31.704 31.700 0.143 0.000 0.782 201 H N -4.159 114.980 119.070 0.116 0.000 2.556 201 H HA 0.008 4.568 4.556 0.008 0.000 0.268 201 H C -0.125 175.332 175.328 0.215 0.000 0.996 201 H CA 0.111 56.238 56.048 0.132 0.000 1.157 201 H CB -0.495 29.363 29.762 0.160 0.000 1.355 201 H HN 0.188 nan 8.280 nan 0.000 0.597 202 W N 2.520 123.584 121.300 -0.393 0.000 2.073 202 W HA 0.378 5.043 4.660 0.008 0.000 0.295 202 W C -1.068 175.387 176.519 -0.107 0.000 1.005 202 W CA -1.790 55.407 57.345 -0.246 0.000 1.451 202 W CB 0.398 29.627 29.460 -0.385 0.000 1.515 202 W HN -0.179 nan 8.180 nan 0.000 0.341 203 K N 0.701 121.241 120.400 0.233 0.000 2.355 203 K HA 0.449 4.774 4.320 0.008 0.000 0.270 203 K C 1.182 177.937 176.600 0.258 0.000 1.003 203 K CA 1.630 58.007 56.287 0.150 0.000 0.957 203 K CB 0.506 33.026 32.500 0.032 0.000 0.939 203 K HN 0.547 nan 8.250 nan 0.000 0.482 204 G N 1.520 110.438 108.800 0.196 0.000 2.155 204 G HA2 -0.323 3.642 3.960 0.008 0.000 0.257 204 G HA3 -0.323 3.642 3.960 0.008 0.000 0.257 204 G C -0.356 174.547 174.900 0.005 0.000 0.983 204 G CA 0.265 45.451 45.100 0.143 0.000 0.676 204 G HN 0.589 nan 8.290 nan 0.000 0.528 205 Y N 1.048 121.129 120.300 -0.364 0.000 2.717 205 Y HA 0.402 4.957 4.550 0.008 0.000 0.330 205 Y C 1.343 176.995 175.900 -0.413 0.000 1.217 205 Y CA 0.163 57.760 58.100 -0.837 0.000 1.506 205 Y CB 0.389 38.169 38.460 -1.134 0.000 1.268 205 Y HN 0.203 nan 8.280 nan 0.000 0.561 206 R N 3.774 123.697 120.500 -0.961 0.000 2.569 206 R HA 0.240 4.584 4.340 0.008 0.000 0.422 206 R C 0.606 176.401 176.300 -0.841 0.000 0.980 206 R CA 0.102 55.792 56.100 -0.684 0.000 1.164 206 R CB 0.566 30.716 30.300 -0.250 0.000 1.520 206 R HN 0.855 nan 8.270 nan 0.000 0.567 207 G N -0.792 107.015 108.800 -1.654 0.000 2.611 207 G HA2 0.223 4.188 3.960 0.008 0.000 0.273 207 G HA3 0.223 4.188 3.960 0.008 0.000 0.273 207 G C 1.006 175.595 174.900 -0.518 0.000 1.305 207 G CA -0.038 44.539 45.100 -0.872 0.000 1.010 207 G HN 0.176 nan 8.290 nan 0.000 0.509 208 G N -1.572 107.097 108.800 -0.218 0.000 2.498 208 G HA2 -0.052 3.912 3.960 0.008 0.000 0.219 208 G HA3 -0.052 3.912 3.960 0.008 0.000 0.219 208 G C 1.289 176.173 174.900 -0.026 0.000 1.119 208 G CA 1.444 46.460 45.100 -0.140 0.000 0.766 208 G HN 0.589 nan 8.290 nan 0.000 0.552 209 T N 0.799 115.470 114.554 0.195 0.000 3.144 209 T HA 0.136 4.491 4.350 0.008 0.000 0.249 209 T C 1.103 176.011 174.700 0.347 0.000 1.089 209 T CA -0.559 61.694 62.100 0.255 0.000 0.989 209 T CB -0.006 69.138 68.868 0.460 0.000 0.992 209 T HN 0.574 nan 8.240 nan 0.000 0.540 210 R N 1.530 122.199 120.500 0.281 0.000 2.697 210 R HA 0.326 4.670 4.340 0.008 0.000 0.265 210 R C 0.627 176.987 176.300 0.102 0.000 1.009 210 R CA -0.312 55.967 56.100 0.299 0.000 1.099 210 R CB -0.051 30.206 30.300 -0.073 0.000 0.965 210 R HN 0.118 nan 8.270 nan 0.000 0.428 211 G N 1.897 110.643 108.800 -0.089 0.000 2.414 211 G HA2 0.143 4.107 3.960 0.008 0.000 0.236 211 G HA3 0.143 4.107 3.960 0.008 0.000 0.236 211 G C -0.681 174.077 174.900 -0.236 0.000 1.293 211 G CA -0.498 44.419 45.100 -0.305 0.000 0.869 211 G HN 0.591 nan 8.290 nan 0.000 0.556 212 K N 0.752 121.074 120.400 -0.130 0.000 2.508 212 K HA 0.507 4.832 4.320 0.008 0.000 0.260 212 K C -0.941 175.643 176.600 -0.027 0.000 0.949 212 K CA -0.766 55.455 56.287 -0.110 0.000 0.834 212 K CB 2.652 35.145 32.500 -0.010 0.000 1.365 212 K HN 0.364 nan 8.250 nan 0.000 0.437 213 I N 1.172 121.682 120.570 -0.099 0.000 2.465 213 I HA 0.414 4.588 4.170 0.008 0.000 0.291 213 I C -1.244 174.891 176.117 0.030 0.000 1.014 213 I CA -0.750 60.552 61.300 0.004 0.000 1.093 213 I CB 1.222 39.163 38.000 -0.098 0.000 1.267 213 I HN 0.421 nan 8.210 nan 0.000 0.431 214 W N 6.432 127.743 121.300 0.019 0.000 2.689 214 W HA 0.719 5.383 4.660 0.007 0.000 0.340 214 W C -0.589 176.025 176.519 0.157 0.000 1.060 214 W CA -0.488 56.917 57.345 0.100 0.000 1.218 214 W CB 1.592 31.137 29.460 0.142 0.000 1.410 214 W HN 0.197 nan 8.180 nan 0.000 0.528 215 I N 1.491 122.286 120.570 0.376 0.000 2.730 215 I HA 0.275 4.450 4.170 0.008 0.000 0.298 215 I C -0.311 175.821 176.117 0.026 0.000 1.089 215 I CA -0.976 60.443 61.300 0.199 0.000 1.041 215 I CB 1.756 39.801 38.000 0.076 0.000 1.235 215 I HN 0.411 nan 8.210 nan 0.000 0.423 216 E N 4.521 124.507 120.200 -0.357 0.000 2.338 216 E HA 0.186 4.540 4.350 0.008 0.000 0.272 216 E C 0.195 176.599 176.600 -0.326 0.000 1.029 216 E CA -0.159 55.726 56.400 -0.858 0.000 0.872 216 E CB 1.171 30.262 29.700 -1.014 0.000 1.015 216 E HN 0.523 nan 8.360 nan 0.000 0.417 217 V N 0.945 120.713 119.914 -0.243 0.000 3.612 217 V HA 0.318 4.442 4.120 0.008 0.000 0.268 217 V C -0.053 175.987 176.094 -0.089 0.000 1.365 217 V CA 0.191 62.427 62.300 -0.107 0.000 1.044 217 V CB 0.069 31.864 31.823 -0.047 0.000 0.820 217 V HN 0.621 nan 8.190 nan 0.000 0.444 218 N N 0.938 119.567 118.700 -0.117 0.000 2.655 218 N HA 0.175 4.920 4.740 0.008 0.000 0.277 218 N C -0.056 175.419 175.510 -0.058 0.000 1.177 218 N CA 0.469 53.480 53.050 -0.065 0.000 0.882 218 N CB 1.451 39.914 38.487 -0.038 0.000 1.481 218 N HN 0.460 nan 8.380 nan 0.000 0.547 219 S N 2.457 118.135 115.700 -0.035 0.000 3.425 219 S HA 0.009 4.483 4.470 0.008 0.000 0.146 219 S C 1.224 175.855 174.600 0.052 0.000 0.347 219 S CA 0.969 59.174 58.200 0.008 0.000 1.403 219 S CB -1.800 61.419 63.200 0.032 0.000 0.835 219 S HN 1.767 nan 8.310 nan 0.000 0.245 220 G N -0.434 108.408 108.800 0.070 0.000 2.227 220 G HA2 0.299 4.263 3.960 0.008 0.000 0.168 220 G HA3 0.299 4.263 3.960 0.008 0.000 0.168 220 G C 0.001 175.071 174.900 0.284 0.000 1.006 220 G CA -0.325 44.914 45.100 0.231 0.000 0.684 220 G HN 1.946 nan 8.290 nan 0.000 0.489 221 A N 0.139 123.011 122.820 0.086 0.000 2.318 221 A HA 0.879 5.203 4.320 0.008 0.000 0.317 221 A C -0.929 176.704 177.584 0.080 0.000 1.159 221 A CA -0.564 51.518 52.037 0.075 0.000 0.799 221 A CB 0.973 19.934 19.000 -0.065 0.000 1.194 221 A HN 0.547 nan 8.150 nan 0.000 0.479 222 F N 1.120 121.278 119.950 0.347 0.000 2.522 222 F HA 0.652 5.183 4.527 0.008 0.000 0.324 222 F C 0.396 176.517 175.800 0.535 0.000 1.077 222 F CA -0.544 57.717 58.000 0.435 0.000 0.944 222 F CB 2.374 41.639 39.000 0.442 0.000 1.175 222 F HN 0.567 nan 8.300 nan 0.000 0.468 223 K N 2.178 122.907 120.400 0.549 0.000 2.371 223 K HA 0.353 4.678 4.320 0.008 0.000 0.251 223 K C -1.054 175.516 176.600 -0.049 0.000 0.934 223 K CA -0.864 55.575 56.287 0.254 0.000 0.798 223 K CB 1.763 34.313 32.500 0.083 0.000 1.204 223 K HN 0.651 nan 8.250 nan 0.000 0.427 224 K N 5.800 125.763 120.400 -0.729 0.000 2.292 224 K HA 0.131 4.456 4.320 0.008 0.000 0.290 224 K C 0.915 177.194 176.600 -0.535 0.000 1.083 224 K CA -0.130 55.419 56.287 -1.229 0.000 0.918 224 K CB 0.129 31.623 32.500 -1.677 0.000 1.089 224 K HN 0.658 nan 8.250 nan 0.000 0.473 225 I N 0.921 121.286 120.570 -0.341 0.000 3.462 225 I HA 0.108 4.282 4.170 0.008 0.000 0.290 225 I C -0.247 175.751 176.117 -0.198 0.000 1.236 225 I CA -0.334 60.847 61.300 -0.198 0.000 1.418 225 I CB 0.742 38.687 38.000 -0.092 0.000 1.102 225 I HN 0.021 nan 8.210 nan 0.000 0.441 226 V N 3.029 122.789 119.914 -0.256 0.000 2.398 226 V HA 0.404 4.528 4.120 0.008 0.000 0.282 226 V C -1.366 174.544 176.094 -0.306 0.000 1.014 226 V CA -0.346 61.788 62.300 -0.276 0.000 0.838 226 V CB 1.160 32.764 31.823 -0.366 0.000 1.018 226 V HN 0.207 nan 8.190 nan 0.000 0.432 227 D N 5.606 125.850 120.400 -0.261 0.000 2.375 227 D HA 0.499 5.144 4.640 0.008 0.000 0.259 227 D C -0.465 175.720 176.300 -0.191 0.000 1.235 227 D CA -0.203 53.658 54.000 -0.230 0.000 0.924 227 D CB 1.189 41.856 40.800 -0.222 0.000 1.143 227 D HN 0.360 nan 8.370 nan 0.000 0.529 228 M N 0.497 119.974 119.600 -0.205 0.000 2.649 228 M HA 0.194 4.679 4.480 0.008 0.000 0.294 228 M C 1.962 178.173 176.300 -0.148 0.000 1.206 228 M CA -0.676 54.523 55.300 -0.169 0.000 0.928 228 M CB 1.740 34.225 32.600 -0.191 0.000 1.571 228 M HN 0.253 nan 8.290 nan 0.000 0.501 229 S N -0.804 114.825 115.700 -0.118 0.000 2.368 229 S HA -0.064 4.411 4.470 0.008 0.000 0.225 229 S C 0.912 175.429 174.600 -0.137 0.000 1.030 229 S CA 1.285 59.423 58.200 -0.103 0.000 0.999 229 S CB -0.895 62.265 63.200 -0.067 0.000 0.844 229 S HN 0.856 nan 8.310 nan 0.000 0.459 230 T N -0.945 113.535 114.554 -0.125 0.000 2.884 230 T HA 0.428 4.783 4.350 0.008 0.000 0.277 230 T C -0.250 174.396 174.700 -0.090 0.000 0.976 230 T CA -0.699 61.337 62.100 -0.106 0.000 0.956 230 T CB 0.485 69.331 68.868 -0.037 0.000 1.113 230 T HN 0.414 nan 8.240 nan 0.000 0.554 231 H N -0.408 118.598 119.070 -0.108 0.000 2.767 231 H HA 0.478 5.039 4.556 0.008 0.000 0.316 231 H C -0.713 174.592 175.328 -0.039 0.000 1.059 231 H CA -0.166 55.853 56.048 -0.048 0.000 1.461 231 H CB 0.061 29.869 29.762 0.076 0.000 1.475 231 H HN 0.459 nan 8.280 nan 0.000 0.531 232 V N 5.763 125.330 119.914 -0.578 0.000 2.481 232 V HA 0.374 4.498 4.120 0.008 0.000 0.286 232 V C -0.048 175.727 176.094 -0.531 0.000 1.042 232 V CA -0.051 61.974 62.300 -0.460 0.000 0.928 232 V CB 1.199 32.657 31.823 -0.608 0.000 0.986 232 V HN 1.010 nan 8.190 nan 0.000 0.462 233 S N 1.865 117.480 115.700 -0.142 0.000 2.661 233 S HA 0.600 5.075 4.470 0.008 0.000 0.285 233 S C -0.132 174.519 174.600 0.084 0.000 1.138 233 S CA -0.321 57.876 58.200 -0.005 0.000 0.855 233 S CB 1.755 65.087 63.200 0.219 0.000 1.136 233 S HN 0.987 nan 8.310 nan 0.000 0.484 234 S N 1.819 117.555 115.700 0.061 0.000 3.447 234 S HA -0.078 4.397 4.470 0.008 0.000 0.371 234 S C -2.273 172.293 174.600 -0.057 0.000 0.951 234 S CA 0.725 58.906 58.200 -0.031 0.000 1.269 234 S CB -1.831 61.444 63.200 0.125 0.000 0.919 234 S HN 0.784 nan 8.310 nan 0.000 0.516 235 P HA 0.465 nan 4.420 nan 0.000 0.275 235 P C 0.013 177.326 177.300 0.021 0.000 1.227 235 P CA -0.276 62.830 63.100 0.010 0.000 0.781 235 P CB 1.309 32.990 31.700 -0.031 0.000 0.906 236 V N 0.802 120.808 119.914 0.154 0.000 3.181 236 V HA 0.659 4.783 4.120 0.008 0.000 0.308 236 V C -0.530 175.701 176.094 0.228 0.000 1.214 236 V CA -1.165 61.236 62.300 0.168 0.000 1.053 236 V CB 2.253 34.176 31.823 0.167 0.000 1.069 236 V HN 0.336 nan 8.190 nan 0.000 0.441 237 I N 1.024 121.711 120.570 0.194 0.000 2.498 237 I HA 0.698 4.873 4.170 0.008 0.000 0.290 237 I C -1.238 174.975 176.117 0.160 0.000 1.032 237 I CA -0.870 60.551 61.300 0.202 0.000 1.073 237 I CB 2.275 40.351 38.000 0.127 0.000 1.251 237 I HN 0.470 nan 8.210 nan 0.000 0.426 238 V N 5.260 125.303 119.914 0.215 0.000 2.577 238 V HA 0.726 4.850 4.120 0.008 0.000 0.303 238 V C 0.683 176.869 176.094 0.153 0.000 1.042 238 V CA 0.126 62.492 62.300 0.109 0.000 0.872 238 V CB 1.108 32.906 31.823 -0.041 0.000 0.998 238 V HN 1.092 nan 8.190 nan 0.000 0.423 239 G N 4.114 112.962 108.800 0.080 0.000 2.596 239 G HA2 -0.306 3.658 3.960 0.008 0.000 0.304 239 G HA3 -0.306 3.658 3.960 0.008 0.000 0.304 239 G C 0.125 175.040 174.900 0.024 0.000 1.189 239 G CA 0.960 46.140 45.100 0.133 0.000 0.986 239 G HN 0.964 nan 8.290 nan 0.000 0.548 240 H N 1.357 120.495 119.070 0.113 0.000 2.505 240 H HA 0.516 5.076 4.556 0.008 0.000 0.260 240 H C 0.675 176.058 175.328 0.091 0.000 1.168 240 H CA -0.209 55.897 56.048 0.096 0.000 0.945 240 H CB 0.379 30.182 29.762 0.069 0.000 1.800 240 H HN 0.390 nan 8.280 nan 0.000 0.586 241 R N 0.568 121.171 120.500 0.172 0.000 2.686 241 R HA 0.486 4.830 4.340 0.008 0.000 0.286 241 R C -0.799 175.544 176.300 0.072 0.000 0.969 241 R CA -0.923 55.218 56.100 0.068 0.000 0.898 241 R CB 2.665 32.934 30.300 -0.051 0.000 1.183 241 R HN 0.140 nan 8.270 nan 0.000 0.456 242 I N 3.232 123.805 120.570 0.005 0.000 2.315 242 I HA 0.243 4.418 4.170 0.008 0.000 0.291 242 I C -0.699 175.413 176.117 -0.009 0.000 1.006 242 I CA -0.485 60.885 61.300 0.116 0.000 1.265 242 I CB 0.499 38.607 38.000 0.180 0.000 1.387 242 I HN 0.338 nan 8.210 nan 0.000 0.475 243 Y N 6.981 127.344 120.300 0.105 0.000 2.387 243 Y HA 0.638 5.192 4.550 0.008 0.000 0.330 243 Y C -0.005 175.937 175.900 0.071 0.000 1.133 243 Y CA -0.548 57.530 58.100 -0.037 0.000 1.152 243 Y CB 1.324 39.770 38.460 -0.023 0.000 1.215 243 Y HN 0.461 nan 8.280 nan 0.000 0.466 244 F N -0.666 119.377 119.950 0.156 0.000 2.877 244 F HA 0.757 5.289 4.527 0.007 0.000 0.319 244 F C -2.011 173.858 175.800 0.114 0.000 1.174 244 F CA -1.855 56.197 58.000 0.086 0.000 0.903 244 F CB 0.814 39.820 39.000 0.011 0.000 1.357 244 F HN 0.187 nan 8.300 nan 0.000 0.472 245 I N 0.732 121.543 120.570 0.402 0.000 2.648 245 I HA 0.747 4.922 4.170 0.008 0.000 0.304 245 I C -0.395 175.944 176.117 0.370 0.000 1.009 245 I CA -0.678 60.809 61.300 0.312 0.000 1.114 245 I CB 2.209 40.342 38.000 0.221 0.000 1.293 245 I HN 0.863 nan 8.210 nan 0.000 0.449 246 T N 1.756 116.496 114.554 0.310 0.000 2.831 246 T HA 0.185 4.540 4.350 0.008 0.000 0.333 246 T C -1.787 173.021 174.700 0.179 0.000 1.684 246 T CA -0.658 61.554 62.100 0.186 0.000 1.049 246 T CB 1.217 70.111 68.868 0.043 0.000 1.518 246 T HN 0.775 nan 8.240 nan 0.000 0.491 247 D N 2.246 122.729 120.400 0.138 0.000 2.788 247 D HA 0.170 4.815 4.640 0.008 0.000 0.289 247 D C 1.405 177.769 176.300 0.106 0.000 1.340 247 D CA -0.418 53.666 54.000 0.141 0.000 0.831 247 D CB -0.426 40.490 40.800 0.195 0.000 1.103 247 D HN 0.508 nan 8.370 nan 0.000 0.476 248 I N 0.123 120.707 120.570 0.023 0.000 2.423 248 I HA -0.235 3.940 4.170 0.008 0.000 0.254 248 I C 0.392 176.541 176.117 0.053 0.000 1.151 248 I CA 1.397 62.693 61.300 -0.006 0.000 1.421 248 I CB 0.337 38.270 38.000 -0.113 0.000 1.079 248 I HN -0.131 nan 8.210 nan 0.000 0.431 249 D N 0.330 120.801 120.400 0.117 0.000 2.339 249 D HA 0.180 4.825 4.640 0.008 0.000 0.217 249 D C 1.436 177.811 176.300 0.125 0.000 1.050 249 D CA 0.983 55.057 54.000 0.122 0.000 0.856 249 D CB 0.810 41.704 40.800 0.157 0.000 0.922 249 D HN 0.589 nan 8.370 nan 0.000 0.518 250 G N 0.124 109.014 108.800 0.150 0.000 2.284 250 G HA2 -0.195 3.769 3.960 0.008 0.000 0.201 250 G HA3 -0.195 3.769 3.960 0.008 0.000 0.201 250 G C 0.039 175.113 174.900 0.290 0.000 0.998 250 G CA -0.351 44.862 45.100 0.190 0.000 0.651 250 G HN 0.287 nan 8.290 nan 0.000 0.489 251 F N 0.653 120.598 119.950 -0.008 0.000 2.668 251 F HA 0.620 5.151 4.527 0.007 0.000 0.309 251 F C 0.488 176.063 175.800 -0.374 0.000 1.117 251 F CA -0.115 57.736 58.000 -0.248 0.000 0.951 251 F CB 1.331 40.214 39.000 -0.195 0.000 1.323 251 F HN 0.377 nan 8.300 nan 0.000 0.451 252 G N 3.079 111.112 108.800 -1.279 0.000 2.365 252 G HA2 0.506 4.471 3.960 0.008 0.000 0.249 252 G HA3 0.506 4.471 3.960 0.008 0.000 0.249 252 G C -1.290 173.586 174.900 -0.041 0.000 1.288 252 G CA -0.144 44.649 45.100 -0.511 0.000 0.887 252 G HN 0.436 nan 8.290 nan 0.000 0.524 253 Q N 0.863 120.725 119.800 0.104 0.000 2.511 253 Q HA 0.339 4.683 4.340 0.008 0.000 0.289 253 Q C -0.689 175.283 176.000 -0.046 0.000 1.021 253 Q CA -0.761 55.029 55.803 -0.021 0.000 0.785 253 Q CB 2.308 30.906 28.738 -0.234 0.000 1.472 253 Q HN 0.538 nan 8.270 nan 0.000 0.411 254 I N 1.764 122.153 120.570 -0.301 0.000 2.342 254 I HA 0.290 4.465 4.170 0.008 0.000 0.291 254 I C -0.723 175.185 176.117 -0.349 0.000 1.010 254 I CA -0.236 60.892 61.300 -0.288 0.000 1.308 254 I CB 0.276 37.975 38.000 -0.500 0.000 1.400 254 I HN 0.411 nan 8.210 nan 0.000 0.488 255 Y N 3.536 123.604 120.300 -0.388 0.000 2.659 255 Y HA 0.650 5.204 4.550 0.007 0.000 0.333 255 Y C 0.293 175.755 175.900 -0.730 0.000 1.064 255 Y CA -0.723 57.102 58.100 -0.459 0.000 1.141 255 Y CB 2.048 40.168 38.460 -0.566 0.000 1.316 255 Y HN 0.561 nan 8.280 nan 0.000 0.509 256 S N -0.587 114.892 115.700 -0.368 0.000 2.565 256 S HA 0.818 5.292 4.470 0.008 0.000 0.269 256 S C -1.002 173.493 174.600 -0.176 0.000 1.153 256 S CA -0.453 57.439 58.200 -0.514 0.000 0.835 256 S CB 1.733 64.404 63.200 -0.882 0.000 1.122 256 S HN 0.951 nan 8.310 nan 0.000 0.462 257 T N -1.345 113.159 114.554 -0.083 0.000 2.841 257 T HA 0.726 5.081 4.350 0.008 0.000 0.296 257 T C -1.141 173.563 174.700 0.007 0.000 1.166 257 T CA -0.630 61.487 62.100 0.029 0.000 1.007 257 T CB 0.996 69.945 68.868 0.134 0.000 1.253 257 T HN 0.814 nan 8.240 nan 0.000 0.511 258 D N 0.364 120.782 120.400 0.030 0.000 2.433 258 D HA 0.241 4.885 4.640 0.008 0.000 0.255 258 D C 1.291 177.626 176.300 0.058 0.000 1.226 258 D CA -1.034 52.995 54.000 0.048 0.000 1.015 258 D CB 0.193 41.022 40.800 0.048 0.000 1.091 258 D HN 0.504 nan 8.370 nan 0.000 0.527 259 L N -0.856 120.413 121.223 0.077 0.000 2.642 259 L HA -0.042 4.302 4.340 0.008 0.000 0.236 259 L C 1.149 178.045 176.870 0.043 0.000 1.169 259 L CA 0.824 55.706 54.840 0.070 0.000 0.851 259 L CB -0.458 41.658 42.059 0.095 0.000 0.968 259 L HN 0.481 nan 8.230 nan 0.000 0.453 260 D N -0.392 120.027 120.400 0.031 0.000 2.433 260 D HA 0.089 4.734 4.640 0.008 0.000 0.211 260 D C 1.458 177.754 176.300 -0.007 0.000 1.114 260 D CA 0.749 54.755 54.000 0.009 0.000 0.837 260 D CB 0.874 41.678 40.800 0.008 0.000 0.984 260 D HN 0.283 nan 8.370 nan 0.000 0.505 261 G N 1.654 110.457 108.800 0.006 0.000 2.162 261 G HA2 -0.234 3.730 3.960 0.008 0.000 0.260 261 G HA3 -0.234 3.730 3.960 0.008 0.000 0.260 261 G C 0.465 175.367 174.900 0.004 0.000 0.976 261 G CA 0.299 45.397 45.100 -0.004 0.000 0.655 261 G HN 0.156 nan 8.290 nan 0.000 0.533 262 K N 0.104 120.510 120.400 0.010 0.000 2.210 262 K HA 0.560 4.885 4.320 0.008 0.000 0.236 262 K C 0.518 177.128 176.600 0.017 0.000 1.016 262 K CA -0.285 56.006 56.287 0.008 0.000 0.913 262 K CB 0.579 33.080 32.500 0.002 0.000 1.141 262 K HN 0.134 nan 8.250 nan 0.000 0.462 263 D N 0.713 121.120 120.400 0.012 0.000 2.716 263 D HA -0.173 4.471 4.640 0.008 0.000 0.239 263 D C -0.799 175.510 176.300 0.014 0.000 1.125 263 D CA 0.173 54.180 54.000 0.010 0.000 0.681 263 D CB -0.934 39.873 40.800 0.011 0.000 1.070 263 D HN 0.395 nan 8.370 nan 0.000 0.432 264 L N 0.795 122.035 121.223 0.027 0.000 2.525 264 L HA 0.269 4.614 4.340 0.008 0.000 0.278 264 L C 0.436 177.320 176.870 0.024 0.000 1.218 264 L CA 0.949 55.821 54.840 0.054 0.000 0.878 264 L CB 0.331 42.434 42.059 0.073 0.000 1.127 264 L HN 0.218 nan 8.230 nan 0.000 0.492 265 R N 3.821 124.324 120.500 0.005 0.000 2.725 265 R HA 0.449 4.793 4.340 0.008 0.000 0.277 265 R C -1.234 174.911 176.300 -0.259 0.000 0.987 265 R CA -1.050 54.957 56.100 -0.155 0.000 0.901 265 R CB 1.821 31.957 30.300 -0.273 0.000 1.207 265 R HN 0.540 nan 8.270 nan 0.000 0.463 266 K N 1.330 121.459 120.400 -0.451 0.000 2.265 266 K HA 0.257 4.581 4.320 0.008 0.000 0.267 266 K C -0.378 175.800 176.600 -0.703 0.000 0.994 266 K CA -0.384 55.467 56.287 -0.727 0.000 0.860 266 K CB 0.786 32.955 32.500 -0.551 0.000 1.099 266 K HN 0.667 nan 8.250 nan 0.000 0.448 267 H N 0.538 119.297 119.070 -0.519 0.000 2.705 267 H HA 0.101 4.662 4.556 0.008 0.000 0.269 267 H C -0.166 174.863 175.328 -0.499 0.000 0.998 267 H CA 0.336 56.154 56.048 -0.383 0.000 1.193 267 H CB 1.033 30.568 29.762 -0.378 0.000 1.485 267 H HN 0.662 nan 8.280 nan 0.000 0.521 268 T N -2.780 111.432 114.554 -0.569 0.000 2.883 268 T HA 0.568 4.923 4.350 0.008 0.000 0.296 268 T C -0.006 174.293 174.700 -0.668 0.000 1.117 268 T CA -0.989 60.645 62.100 -0.778 0.000 1.006 268 T CB 2.132 70.169 68.868 -1.386 0.000 1.191 268 T HN -0.083 nan 8.240 nan 0.000 0.508 269 S N 0.671 115.977 115.700 -0.655 0.000 2.665 269 S HA 0.368 4.842 4.470 0.008 0.000 0.235 269 S C -0.396 174.035 174.600 -0.281 0.000 1.084 269 S CA -0.784 57.190 58.200 -0.378 0.000 1.151 269 S CB -0.610 62.442 63.200 -0.247 0.000 1.151 269 S HN 0.619 nan 8.310 nan 0.000 0.461 270 F N 2.027 121.909 119.950 -0.113 0.000 2.553 270 F HA 0.176 4.708 4.527 0.008 0.000 0.356 270 F C 1.983 177.530 175.800 -0.423 0.000 1.142 270 F CA 0.258 58.199 58.000 -0.099 0.000 1.322 270 F CB 0.759 39.814 39.000 0.092 0.000 1.126 270 F HN 0.315 nan 8.300 nan 0.000 0.599 271 T N -4.185 110.199 114.554 -0.284 0.000 3.046 271 T HA 0.017 4.371 4.350 0.008 0.000 0.270 271 T C 0.780 175.185 174.700 -0.493 0.000 0.920 271 T CA 0.188 61.796 62.100 -0.821 0.000 0.874 271 T CB -0.131 68.468 68.868 -0.448 0.000 1.214 271 T HN 0.548 nan 8.240 nan 0.000 0.536 272 D N 1.217 121.545 120.400 -0.120 0.000 2.154 272 D HA 0.084 4.728 4.640 0.008 0.000 0.211 272 D C 0.015 176.189 176.300 -0.210 0.000 0.977 272 D CA 0.895 54.785 54.000 -0.184 0.000 0.869 272 D CB -0.385 40.368 40.800 -0.080 0.000 1.022 272 D HN 0.540 nan 8.370 nan 0.000 0.461 273 Y N -1.922 118.586 120.300 0.347 0.000 2.553 273 Y HA 0.391 4.946 4.550 0.008 0.000 0.347 273 Y C -0.769 175.312 175.900 0.302 0.000 1.019 273 Y CA -1.524 56.782 58.100 0.342 0.000 1.032 273 Y CB 1.192 39.738 38.460 0.143 0.000 1.284 273 Y HN -0.200 nan 8.280 nan 0.000 0.466 274 Y N 4.002 124.351 120.300 0.082 0.000 2.610 274 Y HA 0.117 4.671 4.550 0.008 0.000 0.332 274 Y C -1.956 173.960 175.900 0.026 0.000 1.201 274 Y CA -2.230 55.821 58.100 -0.082 0.000 1.465 274 Y CB -0.031 38.356 38.460 -0.122 0.000 1.283 274 Y HN 0.231 nan 8.280 nan 0.000 0.563 275 P HA 0.271 nan 4.420 nan 0.000 0.274 275 P C -0.578 176.832 177.300 0.185 0.000 1.231 275 P CA -0.270 62.845 63.100 0.025 0.000 0.790 275 P CB 1.314 32.895 31.700 -0.198 0.000 0.951 276 R N 0.312 120.981 120.500 0.282 0.000 2.739 276 R HA 0.272 4.616 4.340 0.008 0.000 0.271 276 R C -0.551 176.018 176.300 0.448 0.000 1.010 276 R CA -0.977 55.324 56.100 0.334 0.000 0.897 276 R CB 0.024 30.514 30.300 0.317 0.000 1.236 276 R HN 0.753 nan 8.270 nan 0.000 0.466 277 H N 0.502 119.747 119.070 0.292 0.000 2.765 277 H HA -0.141 4.420 4.556 0.008 0.000 0.332 277 H C -0.804 174.716 175.328 0.321 0.000 1.180 277 H CA 0.246 56.477 56.048 0.305 0.000 1.142 277 H CB -0.995 28.943 29.762 0.293 0.000 1.576 277 H HN 0.378 nan 8.280 nan 0.000 0.420 278 L N 1.926 123.287 121.223 0.230 0.000 2.426 278 L HA 0.248 4.592 4.340 0.008 0.000 0.271 278 L C 0.894 177.858 176.870 0.157 0.000 1.169 278 L CA 0.488 55.471 54.840 0.239 0.000 0.836 278 L CB 0.852 43.023 42.059 0.187 0.000 1.112 278 L HN 0.613 nan 8.230 nan 0.000 0.465 279 N N -0.112 118.721 118.700 0.221 0.000 2.591 279 N HA 0.549 5.293 4.740 0.008 0.000 0.263 279 N C -1.373 174.263 175.510 0.209 0.000 1.308 279 N CA -0.537 52.637 53.050 0.207 0.000 0.837 279 N CB 2.543 41.181 38.487 0.252 0.000 1.548 279 N HN 0.533 nan 8.380 nan 0.000 0.493 280 T N -0.890 113.776 114.554 0.187 0.000 2.853 280 T HA 0.240 4.594 4.350 0.008 0.000 0.311 280 T C -1.351 173.420 174.700 0.118 0.000 1.307 280 T CA -0.553 61.628 62.100 0.135 0.000 1.019 280 T CB 1.087 70.007 68.868 0.087 0.000 1.264 280 T HN 0.650 nan 8.240 nan 0.000 0.497 281 D N 0.228 120.658 120.400 0.050 0.000 2.395 281 D HA 0.317 4.961 4.640 0.008 0.000 0.213 281 D C 1.381 177.660 176.300 -0.035 0.000 1.110 281 D CA 0.649 54.641 54.000 -0.014 0.000 0.835 281 D CB -0.003 40.712 40.800 -0.142 0.000 0.965 281 D HN 1.115 nan 8.370 nan 0.000 0.505 282 G N 0.745 109.544 108.800 -0.002 0.000 2.194 282 G HA2 -0.334 3.631 3.960 0.008 0.000 0.236 282 G HA3 -0.334 3.631 3.960 0.008 0.000 0.236 282 G C 1.071 175.952 174.900 -0.031 0.000 0.987 282 G CA 0.292 45.388 45.100 -0.006 0.000 0.635 282 G HN 0.507 nan 8.290 nan 0.000 0.520 283 R N -0.504 119.963 120.500 -0.055 0.000 2.493 283 R HA 0.369 4.714 4.340 0.008 0.000 0.177 283 R C 0.796 177.036 176.300 -0.101 0.000 0.861 283 R CA 0.161 56.217 56.100 -0.072 0.000 1.083 283 R CB 0.543 30.798 30.300 -0.074 0.000 1.328 283 R HN 0.329 nan 8.270 nan 0.000 0.615 284 R N 0.269 120.724 120.500 -0.076 0.000 2.778 284 R HA 0.503 4.848 4.340 0.008 0.000 0.277 284 R C -0.851 175.447 176.300 -0.005 0.000 0.977 284 R CA -0.652 55.406 56.100 -0.070 0.000 0.950 284 R CB 2.251 32.529 30.300 -0.036 0.000 1.165 284 R HN 0.057 nan 8.270 nan 0.000 0.474 285 I N 2.281 122.879 120.570 0.046 0.000 2.441 285 I HA 0.325 4.499 4.170 0.008 0.000 0.295 285 I C -0.945 175.349 176.117 0.295 0.000 0.994 285 I CA -1.030 60.375 61.300 0.176 0.000 1.144 285 I CB 1.696 39.827 38.000 0.219 0.000 1.314 285 I HN 0.210 nan 8.210 nan 0.000 0.445 286 L N 7.579 128.983 121.223 0.302 0.000 2.342 286 L HA 0.740 5.085 4.340 0.008 0.000 0.271 286 L C -1.004 176.121 176.870 0.424 0.000 1.008 286 L CA -0.355 54.651 54.840 0.277 0.000 0.818 286 L CB 1.642 43.841 42.059 0.233 0.000 1.296 286 L HN 0.525 nan 8.230 nan 0.000 0.427 287 F N 0.157 120.255 119.950 0.247 0.000 2.770 287 F HA 0.753 5.284 4.527 0.007 0.000 0.313 287 F C -1.120 174.817 175.800 0.229 0.000 1.154 287 F CA -0.809 57.339 58.000 0.247 0.000 0.923 287 F CB 0.874 39.998 39.000 0.207 0.000 1.301 287 F HN 0.482 nan 8.300 nan 0.000 0.449 288 S N 1.097 117.035 115.700 0.397 0.000 2.578 288 S HA 0.801 5.276 4.470 0.008 0.000 0.301 288 S C -1.206 173.578 174.600 0.307 0.000 1.091 288 S CA -0.781 57.559 58.200 0.234 0.000 1.032 288 S CB 2.048 65.345 63.200 0.161 0.000 1.064 288 S HN 1.026 nan 8.310 nan 0.000 0.508 289 K N 0.636 121.148 120.400 0.186 0.000 2.616 289 K HA 0.468 4.793 4.320 0.008 0.000 0.255 289 K C 0.350 176.966 176.600 0.027 0.000 0.995 289 K CA 0.087 56.427 56.287 0.088 0.000 0.860 289 K CB 0.691 33.110 32.500 -0.135 0.000 1.264 289 K HN 1.458 nan 8.250 nan 0.000 0.451 290 G N 2.610 111.354 108.800 -0.094 0.000 2.283 290 G HA2 -0.218 3.747 3.960 0.008 0.000 0.280 290 G HA3 -0.218 3.747 3.960 0.008 0.000 0.280 290 G C 0.765 175.468 174.900 -0.329 0.000 1.029 290 G CA 0.810 45.605 45.100 -0.508 0.000 0.840 290 G HN 1.637 nan 8.290 nan 0.000 0.505 291 G N -2.714 105.992 108.800 -0.158 0.000 2.175 291 G HA2 0.006 3.970 3.960 0.008 0.000 0.244 291 G HA3 0.006 3.970 3.960 0.008 0.000 0.244 291 G C 0.364 175.187 174.900 -0.129 0.000 0.982 291 G CA 0.675 45.694 45.100 -0.136 0.000 0.641 291 G HN 1.751 nan 8.290 nan 0.000 0.527 292 S N 0.104 115.765 115.700 -0.065 0.000 2.607 292 S HA 0.821 5.296 4.470 0.008 0.000 0.303 292 S C -0.184 174.341 174.600 -0.124 0.000 1.086 292 S CA -0.781 57.332 58.200 -0.146 0.000 0.995 292 S CB 1.765 64.872 63.200 -0.155 0.000 1.084 292 S HN 0.300 nan 8.310 nan 0.000 0.507 293 I N 2.242 122.596 120.570 -0.361 0.000 2.359 293 I HA 0.452 4.626 4.170 0.008 0.000 0.294 293 I C -0.975 174.840 176.117 -0.503 0.000 0.987 293 I CA -0.548 60.558 61.300 -0.323 0.000 1.225 293 I CB 0.423 38.186 38.000 -0.394 0.000 1.366 293 I HN 0.588 nan 8.210 nan 0.000 0.466 294 Y N 5.242 125.191 120.300 -0.585 0.000 2.602 294 Y HA 0.634 5.188 4.550 0.007 0.000 0.342 294 Y C 0.082 175.646 175.900 -0.559 0.000 1.029 294 Y CA -0.877 56.835 58.100 -0.646 0.000 1.080 294 Y CB 2.104 39.982 38.460 -0.970 0.000 1.284 294 Y HN 0.289 nan 8.280 nan 0.000 0.485 295 I N 2.250 122.792 120.570 -0.046 0.000 2.498 295 I HA 0.264 4.438 4.170 0.008 0.000 0.290 295 I C -1.504 174.811 176.117 0.330 0.000 1.032 295 I CA -0.762 60.602 61.300 0.107 0.000 1.073 295 I CB 1.842 39.880 38.000 0.063 0.000 1.251 295 I HN 0.401 nan 8.210 nan 0.000 0.426 296 F N 6.238 126.336 119.950 0.246 0.000 2.444 296 F HA 0.476 5.008 4.527 0.007 0.000 0.342 296 F C -0.717 175.119 175.800 0.060 0.000 1.121 296 F CA -0.919 57.212 58.000 0.219 0.000 0.997 296 F CB 1.049 40.212 39.000 0.272 0.000 1.130 296 F HN 0.345 nan 8.300 nan 0.000 0.454 297 N N 8.495 126.858 118.700 -0.562 0.000 2.485 297 N HA 0.343 5.088 4.740 0.008 0.000 0.243 297 N C -2.296 172.661 175.510 -0.922 0.000 0.987 297 N CA -1.639 51.089 53.050 -0.538 0.000 0.940 297 N CB 1.377 39.712 38.487 -0.253 0.000 1.122 297 N HN 0.307 nan 8.380 nan 0.000 0.509 298 P HA -0.157 nan 4.420 nan 0.000 0.217 298 P C 0.367 177.493 177.300 -0.289 0.000 1.148 298 P CA 1.160 63.848 63.100 -0.687 0.000 0.828 298 P CB 0.363 31.786 31.700 -0.460 0.000 0.783 299 D N -1.437 118.832 120.400 -0.219 0.000 2.097 299 D HA -0.092 4.552 4.640 0.008 0.000 0.195 299 D C 1.616 177.873 176.300 -0.073 0.000 0.989 299 D CA 1.532 55.473 54.000 -0.098 0.000 0.827 299 D CB -0.931 39.820 40.800 -0.081 0.000 0.966 299 D HN 0.179 nan 8.370 nan 0.000 0.456 300 T N -0.683 113.804 114.554 -0.112 0.000 3.022 300 T HA 0.037 4.392 4.350 0.008 0.000 0.250 300 T C 0.757 175.445 174.700 -0.020 0.000 1.060 300 T CA 0.295 62.365 62.100 -0.051 0.000 1.013 300 T CB 0.711 69.553 68.868 -0.043 0.000 0.982 300 T HN 0.262 nan 8.240 nan 0.000 0.508 301 E N 0.697 120.835 120.200 -0.104 0.000 3.286 301 E HA -0.207 4.147 4.350 0.008 0.000 0.292 301 E C 0.062 176.790 176.600 0.214 0.000 0.928 301 E CA 0.445 56.910 56.400 0.108 0.000 0.982 301 E CB -0.856 29.000 29.700 0.260 0.000 1.500 301 E HN 0.441 nan 8.360 nan 0.000 0.441 302 K N 1.046 121.473 120.400 0.045 0.000 2.205 302 K HA 0.426 4.750 4.320 0.008 0.000 0.279 302 K C -0.241 176.504 176.600 0.243 0.000 1.027 302 K CA -0.377 55.988 56.287 0.129 0.000 0.932 302 K CB 0.643 33.178 32.500 0.058 0.000 1.032 302 K HN 0.158 nan 8.250 nan 0.000 0.466 303 I N 4.650 125.412 120.570 0.320 0.000 2.378 303 I HA 0.175 4.350 4.170 0.008 0.000 0.291 303 I C -0.398 175.906 176.117 0.312 0.000 0.992 303 I CA -0.586 60.970 61.300 0.425 0.000 1.154 303 I CB 1.662 39.978 38.000 0.526 0.000 1.315 303 I HN 0.702 nan 8.210 nan 0.000 0.448 304 E N 6.449 126.806 120.200 0.261 0.000 2.234 304 E HA 0.413 4.767 4.350 0.008 0.000 0.266 304 E C -1.170 175.452 176.600 0.038 0.000 0.877 304 E CA -1.121 55.362 56.400 0.140 0.000 0.758 304 E CB 2.434 32.173 29.700 0.065 0.000 1.170 304 E HN 0.388 nan 8.360 nan 0.000 0.415 305 K N 4.006 124.341 120.400 -0.109 0.000 2.218 305 K HA 0.273 4.598 4.320 0.008 0.000 0.276 305 K C -0.608 175.755 176.600 -0.395 0.000 1.022 305 K CA -0.519 55.424 56.287 -0.573 0.000 0.946 305 K CB 0.697 32.822 32.500 -0.624 0.000 1.000 305 K HN 0.585 nan 8.250 nan 0.000 0.468 306 I N 4.262 124.543 120.570 -0.482 0.000 2.325 306 I HA 0.075 4.250 4.170 0.008 0.000 0.291 306 I C 0.136 176.022 176.117 -0.386 0.000 1.019 306 I CA -0.538 60.543 61.300 -0.365 0.000 1.302 306 I CB 1.252 39.017 38.000 -0.392 0.000 1.401 306 I HN 0.488 nan 8.210 nan 0.000 0.485 307 E N 7.316 127.353 120.200 -0.271 0.000 2.070 307 E HA 0.207 4.562 4.350 0.008 0.000 0.282 307 E C 0.583 177.039 176.600 -0.240 0.000 1.104 307 E CA 0.148 56.417 56.400 -0.218 0.000 0.876 307 E CB 1.416 31.047 29.700 -0.114 0.000 1.055 307 E HN 0.599 nan 8.360 nan 0.000 0.401 308 I N 1.021 121.418 120.570 -0.289 0.000 3.616 308 I HA 0.112 4.287 4.170 0.008 0.000 0.296 308 I C 1.149 177.188 176.117 -0.131 0.000 1.226 308 I CA 0.480 61.625 61.300 -0.258 0.000 1.394 308 I CB 0.232 37.974 38.000 -0.431 0.000 1.171 308 I HN 0.635 nan 8.210 nan 0.000 0.442 309 G N 1.658 110.371 108.800 -0.145 0.000 2.782 309 G HA2 -0.211 3.754 3.960 0.008 0.000 0.228 309 G HA3 -0.211 3.754 3.960 0.008 0.000 0.228 309 G C -0.887 173.946 174.900 -0.111 0.000 1.372 309 G CA -0.735 44.305 45.100 -0.099 0.000 0.862 309 G HN 0.209 nan 8.290 nan 0.000 0.547 310 D N 0.416 120.769 120.400 -0.080 0.000 2.382 310 D HA 0.337 4.981 4.640 0.008 0.000 0.259 310 D C 1.208 177.458 176.300 -0.084 0.000 1.224 310 D CA -0.235 53.718 54.000 -0.080 0.000 0.894 310 D CB 1.234 42.006 40.800 -0.047 0.000 1.127 310 D HN 0.256 nan 8.370 nan 0.000 0.487 311 L N 1.985 123.114 121.223 -0.156 0.000 2.347 311 L HA 0.246 4.590 4.340 0.008 0.000 0.196 311 L C 0.749 177.585 176.870 -0.057 0.000 1.072 311 L CA 1.037 55.733 54.840 -0.240 0.000 0.817 311 L CB -0.371 41.260 42.059 -0.713 0.000 1.029 311 L HN 0.474 nan 8.230 nan 0.000 0.478 312 E N -1.546 118.631 120.200 -0.038 0.000 2.321 312 E HA 0.360 4.714 4.350 0.008 0.000 0.278 312 E C -1.318 175.311 176.600 0.048 0.000 0.902 312 E CA -0.149 56.305 56.400 0.089 0.000 0.758 312 E CB 1.831 31.668 29.700 0.228 0.000 1.213 312 E HN -0.148 nan 8.360 nan 0.000 0.426 313 S N 4.902 120.633 115.700 0.052 0.000 2.395 313 S HA 0.384 4.859 4.470 0.008 0.000 0.207 313 S C -2.305 172.314 174.600 0.032 0.000 1.454 313 S CA -1.069 57.147 58.200 0.027 0.000 1.211 313 S CB 0.569 63.773 63.200 0.006 0.000 1.093 313 S HN 0.466 nan 8.310 nan 0.000 0.472 314 P HA 0.263 nan 4.420 nan 0.000 0.274 314 P C -0.350 176.955 177.300 0.009 0.000 1.256 314 P CA -0.436 62.682 63.100 0.031 0.000 0.795 314 P CB 0.431 32.155 31.700 0.040 0.000 1.038 315 E N 0.370 120.573 120.200 0.005 0.000 2.493 315 E HA -0.096 4.258 4.350 0.008 0.000 0.255 315 E C 0.628 177.216 176.600 -0.019 0.000 0.999 315 E CA 0.493 56.891 56.400 -0.004 0.000 0.934 315 E CB -0.126 29.572 29.700 -0.004 0.000 0.940 315 E HN 0.385 nan 8.360 nan 0.000 0.473 316 D N 3.611 124.003 120.400 -0.013 0.000 2.149 316 D HA -0.130 4.514 4.640 0.008 0.000 0.201 316 D C 0.394 176.665 176.300 -0.049 0.000 0.972 316 D CA 0.689 54.679 54.000 -0.017 0.000 0.835 316 D CB 0.200 41.045 40.800 0.074 0.000 0.966 316 D HN 0.344 nan 8.370 nan 0.000 0.476 317 R N 0.799 121.280 120.500 -0.031 0.000 2.248 317 R HA 0.272 4.617 4.340 0.008 0.000 0.337 317 R C -0.276 175.998 176.300 -0.043 0.000 1.085 317 R CA -0.274 55.801 56.100 -0.043 0.000 0.934 317 R CB -0.087 30.199 30.300 -0.023 0.000 1.034 317 R HN 0.293 nan 8.270 nan 0.000 0.465 318 I N 1.174 121.709 120.570 -0.059 0.000 2.863 318 I HA 0.547 4.722 4.170 0.008 0.000 0.311 318 I C -0.569 175.529 176.117 -0.030 0.000 1.026 318 I CA -1.222 60.051 61.300 -0.045 0.000 1.077 318 I CB 1.767 39.731 38.000 -0.061 0.000 1.262 318 I HN 0.395 nan 8.210 nan 0.000 0.461 319 I N 2.221 122.785 120.570 -0.011 0.000 2.474 319 I HA 0.456 4.631 4.170 0.008 0.000 0.294 319 I C -0.400 175.735 176.117 0.030 0.000 1.005 319 I CA -0.142 61.162 61.300 0.007 0.000 1.113 319 I CB 2.054 40.059 38.000 0.009 0.000 1.289 319 I HN 0.684 nan 8.210 nan 0.000 0.436 320 S N 5.610 121.341 115.700 0.052 0.000 2.599 320 S HA 0.610 5.085 4.470 0.008 0.000 0.287 320 S C -0.477 174.214 174.600 0.150 0.000 1.105 320 S CA -0.653 57.627 58.200 0.134 0.000 0.899 320 S CB 2.038 65.314 63.200 0.125 0.000 1.100 320 S HN 0.342 nan 8.310 nan 0.000 0.482 321 I N 3.619 124.308 120.570 0.199 0.000 2.322 321 I HA 0.206 4.380 4.170 0.008 0.000 0.292 321 I C -1.398 174.810 176.117 0.151 0.000 1.060 321 I CA -2.049 59.312 61.300 0.102 0.000 1.309 321 I CB 1.053 39.069 38.000 0.027 0.000 1.415 321 I HN 0.454 nan 8.210 nan 0.000 0.492 322 P HA -0.232 nan 4.420 nan 0.000 0.216 322 P C 1.565 178.916 177.300 0.084 0.000 1.153 322 P CA 1.601 64.785 63.100 0.139 0.000 0.858 322 P CB 0.011 31.742 31.700 0.052 0.000 0.789 323 S N -0.168 115.495 115.700 -0.061 0.000 2.419 323 S HA -0.133 4.341 4.470 0.008 0.000 0.235 323 S C 1.811 176.333 174.600 -0.129 0.000 1.019 323 S CA 0.934 59.061 58.200 -0.122 0.000 0.982 323 S CB -0.944 62.163 63.200 -0.155 0.000 0.789 323 S HN 0.115 nan 8.310 nan 0.000 0.490 324 K N 0.376 120.651 120.400 -0.209 0.000 2.439 324 K HA 0.092 4.417 4.320 0.008 0.000 0.197 324 K C -0.076 176.042 176.600 -0.803 0.000 1.041 324 K CA 0.684 56.650 56.287 -0.535 0.000 0.970 324 K CB -0.227 31.812 32.500 -0.768 0.000 0.773 324 K HN 0.635 nan 8.250 nan 0.000 0.479 325 F N -0.395 119.588 119.950 0.054 0.000 2.811 325 F HA 0.309 4.841 4.527 0.007 0.000 0.342 325 F C 0.421 176.289 175.800 0.113 0.000 1.203 325 F CA -0.808 57.238 58.000 0.076 0.000 1.173 325 F CB 0.230 39.276 39.000 0.075 0.000 1.094 325 F HN -0.235 nan 8.300 nan 0.000 0.510 326 A N 1.381 124.324 122.820 0.205 0.000 2.332 326 A HA 0.727 5.052 4.320 0.008 0.000 0.258 326 A C 0.155 177.872 177.584 0.221 0.000 1.087 326 A CA 0.070 52.253 52.037 0.243 0.000 0.802 326 A CB 0.445 19.512 19.000 0.111 0.000 1.042 326 A HN 0.522 nan 8.150 nan 0.000 0.489 327 E N -0.371 119.993 120.200 0.273 0.000 2.409 327 E HA 0.361 4.716 4.350 0.008 0.000 0.280 327 E C -1.361 175.376 176.600 0.228 0.000 1.079 327 E CA -0.787 55.740 56.400 0.213 0.000 0.840 327 E CB 0.380 30.159 29.700 0.131 0.000 1.309 327 E HN 0.415 nan 8.360 nan 0.000 0.447 328 D N 0.471 120.948 120.400 0.130 0.000 2.735 328 D HA -0.190 4.454 4.640 0.008 0.000 0.235 328 D C -0.907 175.456 176.300 0.106 0.000 1.175 328 D CA 0.841 54.874 54.000 0.054 0.000 0.683 328 D CB -1.315 39.541 40.800 0.094 0.000 1.008 328 D HN 0.424 nan 8.370 nan 0.000 0.416 329 F N -0.730 119.330 119.950 0.183 0.000 2.429 329 F HA 0.659 5.190 4.527 0.007 0.000 0.348 329 F C 0.496 176.390 175.800 0.157 0.000 1.109 329 F CA -0.891 57.225 58.000 0.192 0.000 1.232 329 F CB 1.357 40.429 39.000 0.121 0.000 1.157 329 F HN -0.020 nan 8.300 nan 0.000 0.564 330 S N 2.875 118.755 115.700 0.299 0.000 2.535 330 S HA 0.533 5.008 4.470 0.008 0.000 0.272 330 S C -3.127 171.600 174.600 0.212 0.000 1.149 330 S CA -1.294 57.016 58.200 0.184 0.000 0.888 330 S CB 1.949 65.209 63.200 0.101 0.000 1.110 330 S HN 0.643 nan 8.310 nan 0.000 0.463 331 P HA 0.408 nan 4.420 nan 0.000 0.285 331 P C -1.001 176.371 177.300 0.120 0.000 1.259 331 P CA -0.431 62.751 63.100 0.136 0.000 0.794 331 P CB 0.700 32.462 31.700 0.103 0.000 0.940 332 L N 1.797 123.091 121.223 0.118 0.000 2.298 332 L HA 0.473 4.818 4.340 0.008 0.000 0.268 332 L C 0.669 177.610 176.870 0.119 0.000 1.010 332 L CA -1.166 53.754 54.840 0.133 0.000 0.812 332 L CB 0.770 42.916 42.059 0.145 0.000 1.331 332 L HN 0.219 nan 8.230 nan 0.000 0.450 333 D N 0.174 120.657 120.400 0.139 0.000 2.363 333 D HA 0.263 4.907 4.640 0.008 0.000 0.240 333 D C 0.960 177.327 176.300 0.112 0.000 1.236 333 D CA 1.022 55.087 54.000 0.109 0.000 0.927 333 D CB 0.545 41.405 40.800 0.099 0.000 1.150 333 D HN 0.799 nan 8.370 nan 0.000 0.458 334 G N 0.926 109.775 108.800 0.082 0.000 2.203 334 G HA2 -0.353 3.612 3.960 0.008 0.000 0.263 334 G HA3 -0.353 3.612 3.960 0.008 0.000 0.263 334 G C 0.517 175.456 174.900 0.065 0.000 1.012 334 G CA 0.846 45.990 45.100 0.072 0.000 0.749 334 G HN 0.788 nan 8.290 nan 0.000 0.512 335 D N -2.190 118.249 120.400 0.065 0.000 3.041 335 D HA -0.184 4.461 4.640 0.008 0.000 0.220 335 D C 0.787 177.127 176.300 0.067 0.000 1.157 335 D CA 1.564 55.601 54.000 0.061 0.000 0.876 335 D CB -1.289 39.544 40.800 0.055 0.000 1.107 335 D HN 0.787 nan 8.370 nan 0.000 0.422 336 L N -0.243 121.022 121.223 0.070 0.000 2.454 336 L HA 0.598 4.943 4.340 0.008 0.000 0.256 336 L C 1.053 177.969 176.870 0.076 0.000 1.136 336 L CA -0.767 54.106 54.840 0.055 0.000 0.804 336 L CB 0.929 42.989 42.059 0.002 0.000 1.181 336 L HN -0.039 nan 8.230 nan 0.000 0.469 337 I N 0.009 120.632 120.570 0.087 0.000 2.865 337 I HA 0.614 4.789 4.170 0.008 0.000 0.302 337 I C -0.647 175.578 176.117 0.180 0.000 1.140 337 I CA -0.627 60.762 61.300 0.148 0.000 1.021 337 I CB 2.239 40.342 38.000 0.173 0.000 1.233 337 I HN 0.580 nan 8.210 nan 0.000 0.427 338 A N 4.315 127.272 122.820 0.229 0.000 2.365 338 A HA 0.947 5.271 4.320 0.008 0.000 0.318 338 A C -1.205 176.601 177.584 0.372 0.000 1.091 338 A CA -0.383 51.790 52.037 0.225 0.000 0.763 338 A CB 1.293 20.390 19.000 0.161 0.000 1.248 338 A HN 0.662 nan 8.150 nan 0.000 0.442 339 F N 0.165 120.233 119.950 0.196 0.000 2.654 339 F HA 0.736 5.267 4.527 0.007 0.000 0.308 339 F C -1.617 174.321 175.800 0.230 0.000 1.108 339 F CA -1.108 57.020 58.000 0.214 0.000 0.957 339 F CB 1.018 40.149 39.000 0.219 0.000 1.309 339 F HN 0.382 nan 8.300 nan 0.000 0.446 340 V N 2.015 122.098 119.914 0.281 0.000 2.513 340 V HA 0.778 4.902 4.120 0.008 0.000 0.299 340 V C -0.677 175.614 176.094 0.328 0.000 1.035 340 V CA -0.500 61.878 62.300 0.129 0.000 0.889 340 V CB 1.514 33.368 31.823 0.052 0.000 0.988 340 V HN 0.942 nan 8.190 nan 0.000 0.440 341 S N 3.856 119.726 115.700 0.284 0.000 2.603 341 S HA 0.526 5.000 4.470 0.008 0.000 0.274 341 S C -0.034 174.709 174.600 0.238 0.000 1.168 341 S CA -0.684 57.736 58.200 0.367 0.000 0.963 341 S CB 0.758 64.299 63.200 0.568 0.000 1.078 341 S HN 0.795 nan 8.310 nan 0.000 0.477 342 R N 2.879 123.480 120.500 0.169 0.000 3.416 342 R HA -0.214 4.130 4.340 0.008 0.000 0.263 342 R C 0.990 177.278 176.300 -0.020 0.000 1.053 342 R CA 1.235 57.343 56.100 0.013 0.000 0.705 342 R CB -1.800 28.440 30.300 -0.100 0.000 1.124 342 R HN 1.844 nan 8.270 nan 0.000 0.444 343 G N -1.196 107.593 108.800 -0.019 0.000 2.184 343 G HA2 -0.358 3.607 3.960 0.008 0.000 0.264 343 G HA3 -0.358 3.607 3.960 0.008 0.000 0.264 343 G C -0.014 174.817 174.900 -0.115 0.000 0.975 343 G CA 0.795 45.852 45.100 -0.073 0.000 0.642 343 G HN 0.525 nan 8.290 nan 0.000 0.536 344 Q N -0.108 119.628 119.800 -0.106 0.000 2.257 344 Q HA 0.752 5.097 4.340 0.008 0.000 0.262 344 Q C -0.014 175.717 176.000 -0.448 0.000 0.997 344 Q CA -0.114 55.514 55.803 -0.292 0.000 0.873 344 Q CB 2.106 30.700 28.738 -0.240 0.000 1.312 344 Q HN 0.743 nan 8.270 nan 0.000 0.450 345 A N 1.552 123.897 122.820 -0.790 0.000 2.380 345 A HA 0.873 5.197 4.320 0.008 0.000 0.315 345 A C -1.418 175.461 177.584 -1.176 0.000 1.101 345 A CA -0.444 51.163 52.037 -0.716 0.000 0.771 345 A CB 0.819 19.557 19.000 -0.436 0.000 1.287 345 A HN 0.576 nan 8.150 nan 0.000 0.436 346 F N 0.018 119.659 119.950 -0.516 0.000 2.613 346 F HA 0.670 5.202 4.527 0.007 0.000 0.310 346 F C -0.683 174.974 175.800 -0.238 0.000 1.085 346 F CA -0.659 57.091 58.000 -0.417 0.000 0.945 346 F CB 1.958 40.602 39.000 -0.593 0.000 1.298 346 F HN 0.250 nan 8.300 nan 0.000 0.455 347 I N 1.954 122.562 120.570 0.063 0.000 2.436 347 I HA 0.517 4.692 4.170 0.008 0.000 0.289 347 I C -0.727 175.420 176.117 0.051 0.000 1.010 347 I CA -0.554 60.730 61.300 -0.027 0.000 1.098 347 I CB 1.820 39.659 38.000 -0.269 0.000 1.266 347 I HN 0.695 nan 8.210 nan 0.000 0.434 348 Q N 4.462 124.314 119.800 0.087 0.000 2.590 348 Q HA 0.519 4.863 4.340 0.008 0.000 0.295 348 Q C -1.713 174.353 176.000 0.110 0.000 0.973 348 Q CA -1.111 54.768 55.803 0.127 0.000 0.768 348 Q CB 1.985 30.837 28.738 0.190 0.000 1.479 348 Q HN 0.546 nan 8.270 nan 0.000 0.419 349 D N 0.467 120.950 120.400 0.138 0.000 2.398 349 D HA 0.020 4.665 4.640 0.008 0.000 0.247 349 D C 1.362 177.719 176.300 0.095 0.000 1.227 349 D CA 0.066 54.144 54.000 0.130 0.000 0.980 349 D CB 1.205 42.134 40.800 0.214 0.000 1.106 349 D HN 0.602 nan 8.370 nan 0.000 0.493 350 V N -1.221 118.737 119.914 0.072 0.000 2.594 350 V HA -0.195 3.929 4.120 0.008 0.000 0.253 350 V C 2.038 178.133 176.094 0.002 0.000 1.069 350 V CA 2.189 64.509 62.300 0.035 0.000 1.082 350 V CB -1.266 30.576 31.823 0.031 0.000 0.680 350 V HN 0.655 nan 8.190 nan 0.000 0.469 351 S N 0.248 115.959 115.700 0.018 0.000 2.562 351 S HA 0.298 4.772 4.470 0.008 0.000 0.221 351 S C 1.790 176.366 174.600 -0.040 0.000 0.975 351 S CA 0.676 58.866 58.200 -0.017 0.000 0.918 351 S CB -0.282 62.916 63.200 -0.004 0.000 0.772 351 S HN 1.939 nan 8.310 nan 0.000 0.531 352 G N 0.755 109.547 108.800 -0.014 0.000 2.179 352 G HA2 -0.324 3.641 3.960 0.008 0.000 0.257 352 G HA3 -0.324 3.641 3.960 0.008 0.000 0.257 352 G C 0.629 175.489 174.900 -0.066 0.000 1.010 352 G CA 0.823 45.909 45.100 -0.023 0.000 0.736 352 G HN 0.665 nan 8.290 nan 0.000 0.513 353 T N -1.511 112.973 114.554 -0.117 0.000 2.939 353 T HA 0.223 4.577 4.350 0.008 0.000 0.254 353 T C 0.815 175.261 174.700 -0.423 0.000 1.041 353 T CA 1.051 62.965 62.100 -0.309 0.000 1.142 353 T CB 0.056 68.653 68.868 -0.452 0.000 0.874 353 T HN 0.370 nan 8.240 nan 0.000 0.452 354 Y N 1.921 122.236 120.300 0.025 0.000 2.491 354 Y HA 0.586 5.139 4.550 0.006 0.000 0.334 354 Y C -0.570 175.357 175.900 0.045 0.000 0.969 354 Y CA -0.999 57.121 58.100 0.034 0.000 1.241 354 Y CB 1.037 39.516 38.460 0.032 0.000 1.105 354 Y HN -0.117 nan 8.280 nan 0.000 0.503 355 V N 5.407 125.407 119.914 0.144 0.000 2.495 355 V HA 0.476 4.601 4.120 0.008 0.000 0.298 355 V C -0.334 175.857 176.094 0.162 0.000 1.031 355 V CA -1.016 61.371 62.300 0.144 0.000 0.871 355 V CB 2.039 33.923 31.823 0.102 0.000 0.988 355 V HN 0.549 nan 8.190 nan 0.000 0.432 356 L N 4.129 125.455 121.223 0.171 0.000 2.356 356 L HA 0.586 4.931 4.340 0.008 0.000 0.277 356 L C -0.136 176.819 176.870 0.142 0.000 0.996 356 L CA -0.573 54.361 54.840 0.156 0.000 0.822 356 L CB 1.929 44.079 42.059 0.151 0.000 1.256 356 L HN 0.589 nan 8.230 nan 0.000 0.413 357 K N 2.519 122.960 120.400 0.069 0.000 2.234 357 K HA 0.406 4.731 4.320 0.008 0.000 0.282 357 K C -0.679 175.716 176.600 -0.341 0.000 1.039 357 K CA -0.615 55.545 56.287 -0.211 0.000 0.928 357 K CB 1.447 33.849 32.500 -0.163 0.000 1.039 357 K HN 0.356 nan 8.250 nan 0.000 0.470 358 V N 7.243 126.823 119.914 -0.556 0.000 2.485 358 V HA 0.066 4.191 4.120 0.008 0.000 0.287 358 V C -1.667 174.032 176.094 -0.659 0.000 1.022 358 V CA -1.117 60.750 62.300 -0.722 0.000 1.067 358 V CB 0.601 31.985 31.823 -0.731 0.000 0.967 358 V HN 0.829 nan 8.190 nan 0.000 0.479 359 P HA 0.212 nan 4.420 nan 0.000 0.235 359 P C -0.289 176.785 177.300 -0.376 0.000 1.765 359 P CA 0.165 63.020 63.100 -0.409 0.000 1.034 359 P CB 0.264 31.789 31.700 -0.293 0.000 1.984 360 E N 2.338 122.306 120.200 -0.386 0.000 2.314 360 E HA 0.378 4.733 4.350 0.008 0.000 0.272 360 E C -2.190 174.292 176.600 -0.198 0.000 0.884 360 E CA -1.903 54.303 56.400 -0.322 0.000 0.753 360 E CB 2.292 31.724 29.700 -0.448 0.000 1.213 360 E HN 0.242 nan 8.360 nan 0.000 0.432 361 P HA 0.123 nan 4.420 nan 0.000 0.280 361 P C 0.346 177.710 177.300 0.108 0.000 1.278 361 P CA -0.480 62.620 63.100 0.001 0.000 0.787 361 P CB 0.810 32.525 31.700 0.025 0.000 1.163 362 L N 0.631 121.880 121.223 0.044 0.000 2.593 362 L HA -0.068 4.276 4.340 0.008 0.000 0.287 362 L C 1.169 177.987 176.870 -0.087 0.000 1.243 362 L CA 0.573 55.405 54.840 -0.015 0.000 0.890 362 L CB -0.298 41.742 42.059 -0.032 0.000 1.134 362 L HN 0.521 nan 8.230 nan 0.000 0.502 363 R N 3.520 123.938 120.500 -0.136 0.000 2.872 363 R HA -0.090 4.254 4.340 0.008 0.000 0.287 363 R C -1.163 174.990 176.300 -0.245 0.000 0.969 363 R CA 0.297 56.279 56.100 -0.197 0.000 0.653 363 R CB -1.335 28.853 30.300 -0.186 0.000 1.565 363 R HN 0.533 nan 8.270 nan 0.000 0.432 364 I N 2.829 123.314 120.570 -0.140 0.000 2.325 364 I HA 0.154 4.328 4.170 0.008 0.000 0.291 364 I C 1.842 177.894 176.117 -0.108 0.000 1.019 364 I CA -0.224 61.038 61.300 -0.063 0.000 1.302 364 I CB 1.081 38.992 38.000 -0.149 0.000 1.401 364 I HN 0.266 nan 8.210 nan 0.000 0.485 365 R N 4.584 125.021 120.500 -0.104 0.000 2.105 365 R HA 0.136 4.481 4.340 0.008 0.000 0.214 365 R C -0.573 175.340 176.300 -0.645 0.000 1.091 365 R CA 0.835 56.699 56.100 -0.394 0.000 1.007 365 R CB 0.273 30.322 30.300 -0.420 0.000 0.912 365 R HN 0.448 nan 8.270 nan 0.000 0.450 366 Y N -1.064 119.291 120.300 0.092 0.000 2.553 366 Y HA 0.485 5.039 4.550 0.007 0.000 0.347 366 Y C -0.642 175.358 175.900 0.167 0.000 1.019 366 Y CA -1.180 56.983 58.100 0.104 0.000 1.032 366 Y CB 2.179 40.693 38.460 0.089 0.000 1.284 366 Y HN -0.380 nan 8.280 nan 0.000 0.466 367 V N 2.552 122.647 119.914 0.301 0.000 2.638 367 V HA 0.715 4.839 4.120 0.008 0.000 0.306 367 V C -0.912 175.321 176.094 0.231 0.000 1.052 367 V CA -0.770 61.693 62.300 0.272 0.000 0.885 367 V CB 2.005 33.940 31.823 0.186 0.000 0.999 367 V HN 0.672 nan 8.190 nan 0.000 0.424 368 R N 2.218 122.854 120.500 0.227 0.000 2.651 368 R HA 0.598 4.943 4.340 0.008 0.000 0.278 368 R C -0.617 175.783 176.300 0.167 0.000 1.010 368 R CA -0.988 55.215 56.100 0.171 0.000 0.896 368 R CB 1.404 31.788 30.300 0.141 0.000 1.211 368 R HN 0.793 nan 8.270 nan 0.000 0.456 369 R N 1.520 122.106 120.500 0.143 0.000 2.486 369 R HA 0.122 4.467 4.340 0.008 0.000 0.303 369 R C 0.278 176.637 176.300 0.098 0.000 0.958 369 R CA 1.455 57.637 56.100 0.137 0.000 1.077 369 R CB 0.028 30.395 30.300 0.112 0.000 0.921 369 R HN 0.765 nan 8.270 nan 0.000 0.406 370 G N 1.970 110.827 108.800 0.096 0.000 2.747 370 G HA2 0.370 4.334 3.960 0.008 0.000 0.202 370 G HA3 0.370 4.334 3.960 0.008 0.000 0.202 370 G C 0.278 175.185 174.900 0.011 0.000 1.090 370 G CA 0.368 45.497 45.100 0.048 0.000 0.779 370 G HN 0.892 nan 8.290 nan 0.000 0.535 371 G N -0.496 108.309 108.800 0.008 0.000 2.634 371 G HA2 0.391 4.355 3.960 0.008 0.000 0.309 371 G HA3 0.391 4.355 3.960 0.008 0.000 0.309 371 G C -0.389 174.494 174.900 -0.029 0.000 1.299 371 G CA 0.166 45.253 45.100 -0.023 0.000 0.798 371 G HN -0.168 nan 8.290 nan 0.000 0.490 372 D N 0.048 120.419 120.400 -0.050 0.000 2.126 372 D HA -0.111 4.533 4.640 0.008 0.000 0.190 372 D C 2.209 178.451 176.300 -0.098 0.000 1.001 372 D CA 2.566 56.539 54.000 -0.045 0.000 0.841 372 D CB -0.079 40.688 40.800 -0.055 0.000 0.949 372 D HN 0.577 nan 8.370 nan 0.000 0.446 373 T N -3.108 111.267 114.554 -0.299 0.000 3.339 373 T HA 0.374 4.729 4.350 0.008 0.000 0.292 373 T C 0.166 174.203 174.700 -1.105 0.000 1.012 373 T CA -0.689 60.896 62.100 -0.858 0.000 0.937 373 T CB 0.503 68.951 68.868 -0.699 0.000 1.164 373 T HN -0.146 nan 8.240 nan 0.000 0.509 374 K N 0.392 120.523 120.400 -0.447 0.000 2.328 374 K HA 0.814 5.139 4.320 0.008 0.000 0.246 374 K C -1.634 175.005 176.600 0.064 0.000 0.955 374 K CA -1.034 55.126 56.287 -0.211 0.000 0.817 374 K CB 3.010 35.441 32.500 -0.115 0.000 1.208 374 K HN 0.083 nan 8.250 nan 0.000 0.432 375 V N 0.938 120.959 119.914 0.179 0.000 2.888 375 V HA 0.691 4.815 4.120 0.008 0.000 0.309 375 V C -1.513 174.759 176.094 0.298 0.000 1.114 375 V CA -0.539 61.928 62.300 0.279 0.000 0.940 375 V CB 1.964 34.023 31.823 0.393 0.000 1.021 375 V HN 0.938 nan 8.190 nan 0.000 0.426 376 A N 5.402 128.362 122.820 0.234 0.000 2.312 376 A HA 1.020 5.344 4.320 0.008 0.000 0.328 376 A C -0.962 176.783 177.584 0.268 0.000 1.158 376 A CA -0.377 51.755 52.037 0.157 0.000 0.821 376 A CB 0.976 20.028 19.000 0.087 0.000 1.170 376 A HN 1.550 nan 8.150 nan 0.000 0.490 377 F N -0.100 119.965 119.950 0.191 0.000 2.645 377 F HA 0.736 5.268 4.527 0.007 0.000 0.310 377 F C -1.309 174.621 175.800 0.216 0.000 1.102 377 F CA -1.558 56.556 58.000 0.190 0.000 0.952 377 F CB 1.081 40.173 39.000 0.153 0.000 1.326 377 F HN 0.261 nan 8.300 nan 0.000 0.456 378 I N 3.017 123.876 120.570 0.481 0.000 2.339 378 I HA 0.247 4.422 4.170 0.008 0.000 0.290 378 I C -0.590 175.804 176.117 0.462 0.000 0.994 378 I CA -0.252 61.280 61.300 0.388 0.000 1.191 378 I CB 0.857 39.089 38.000 0.385 0.000 1.343 378 I HN 0.777 nan 8.210 nan 0.000 0.458 379 H N 5.410 124.720 119.070 0.399 0.000 2.481 379 H HA 0.591 5.151 4.556 0.007 0.000 0.333 379 H C -0.539 174.968 175.328 0.300 0.000 1.066 379 H CA -0.358 55.899 56.048 0.350 0.000 1.209 379 H CB 1.896 31.919 29.762 0.436 0.000 1.445 379 H HN 0.752 nan 8.280 nan 0.000 0.488 380 G N 2.826 111.455 108.800 -0.285 0.000 2.400 380 G HA2 0.480 4.445 3.960 0.008 0.000 0.333 380 G HA3 0.480 4.445 3.960 0.008 0.000 0.333 380 G C -0.394 174.425 174.900 -0.135 0.000 1.143 380 G CA -0.297 44.741 45.100 -0.103 0.000 0.914 380 G HN 0.719 nan 8.290 nan 0.000 0.480 381 T N -1.532 113.094 114.554 0.119 0.000 2.716 381 T HA 0.381 4.736 4.350 0.008 0.000 0.286 381 T C 1.198 175.991 174.700 0.154 0.000 1.052 381 T CA -0.761 61.430 62.100 0.152 0.000 1.024 381 T CB 1.766 70.791 68.868 0.262 0.000 1.349 381 T HN 0.417 nan 8.240 nan 0.000 0.525 382 R N 0.082 120.675 120.500 0.155 0.000 2.193 382 R HA -0.039 4.306 4.340 0.008 0.000 0.229 382 R C 1.533 177.934 176.300 0.169 0.000 1.110 382 R CA 1.280 57.477 56.100 0.162 0.000 0.988 382 R CB -0.085 30.302 30.300 0.144 0.000 0.871 382 R HN 0.598 nan 8.270 nan 0.000 0.458 383 E N -0.623 119.698 120.200 0.201 0.000 2.250 383 E HA 0.146 4.500 4.350 0.008 0.000 0.192 383 E C 0.849 177.529 176.600 0.133 0.000 0.986 383 E CA 0.928 57.450 56.400 0.204 0.000 0.849 383 E CB 0.823 30.705 29.700 0.304 0.000 0.797 383 E HN 0.498 nan 8.360 nan 0.000 0.482 384 G N 0.590 109.461 108.800 0.118 0.000 2.339 384 G HA2 -0.017 3.947 3.960 0.008 0.000 0.275 384 G HA3 -0.017 3.947 3.960 0.008 0.000 0.275 384 G C -1.822 172.962 174.900 -0.193 0.000 1.323 384 G CA -0.813 44.229 45.100 -0.096 0.000 0.927 384 G HN -0.063 nan 8.290 nan 0.000 0.486 385 D N 0.125 120.303 120.400 -0.370 0.000 2.168 385 D HA 0.745 5.390 4.640 0.008 0.000 0.246 385 D C -0.741 175.245 176.300 -0.523 0.000 1.050 385 D CA 0.249 54.098 54.000 -0.252 0.000 0.857 385 D CB 1.391 42.127 40.800 -0.106 0.000 1.169 385 D HN 0.216 nan 8.370 nan 0.000 0.453 386 F N 0.577 120.605 119.950 0.131 0.000 2.577 386 F HA 0.335 4.867 4.527 0.007 0.000 0.318 386 F C -0.038 175.841 175.800 0.132 0.000 1.065 386 F CA -1.156 56.926 58.000 0.137 0.000 0.929 386 F CB 1.498 40.597 39.000 0.164 0.000 1.237 386 F HN -0.001 nan 8.300 nan 0.000 0.468 387 L N 1.968 123.357 121.223 0.277 0.000 2.334 387 L HA 0.832 5.176 4.340 0.008 0.000 0.277 387 L C -0.214 176.755 176.870 0.165 0.000 1.075 387 L CA 0.238 55.166 54.840 0.148 0.000 0.804 387 L CB 0.774 42.867 42.059 0.057 0.000 1.174 387 L HN 0.790 nan 8.230 nan 0.000 0.438 388 G N 5.019 113.613 108.800 -0.343 0.000 2.672 388 G HA2 0.676 4.640 3.960 0.008 0.000 0.292 388 G HA3 0.676 4.640 3.960 0.008 0.000 0.292 388 G C -1.548 172.874 174.900 -0.797 0.000 1.375 388 G CA -0.530 44.114 45.100 -0.760 0.000 0.890 388 G HN 0.543 nan 8.290 nan 0.000 0.476 389 I N -0.009 120.360 120.570 -0.334 0.000 2.647 389 I HA 0.457 4.631 4.170 0.008 0.000 0.295 389 I C -1.702 174.621 176.117 0.344 0.000 1.078 389 I CA -0.952 60.373 61.300 0.041 0.000 1.048 389 I CB 2.760 40.826 38.000 0.111 0.000 1.239 389 I HN 0.523 nan 8.210 nan 0.000 0.421 390 Y N 4.671 125.135 120.300 0.274 0.000 2.396 390 Y HA 0.389 4.943 4.550 0.008 0.000 0.332 390 Y C -1.414 174.571 175.900 0.141 0.000 1.034 390 Y CA -1.186 57.061 58.100 0.245 0.000 1.057 390 Y CB 1.579 40.231 38.460 0.318 0.000 1.220 390 Y HN 0.465 nan 8.280 nan 0.000 0.440 391 D N 5.374 125.477 120.400 -0.496 0.000 2.427 391 D HA 0.090 4.734 4.640 0.008 0.000 0.226 391 D C 0.283 176.033 176.300 -0.915 0.000 1.076 391 D CA -0.343 53.302 54.000 -0.592 0.000 0.849 391 D CB 0.414 41.022 40.800 -0.320 0.000 1.052 391 D HN 0.677 nan 8.370 nan 0.000 0.515 392 Y N 2.752 122.582 120.300 -0.784 0.000 2.574 392 Y HA 0.076 4.630 4.550 0.007 0.000 0.294 392 Y C 2.129 177.898 175.900 -0.219 0.000 1.142 392 Y CA 0.215 57.986 58.100 -0.548 0.000 1.314 392 Y CB -0.293 38.055 38.460 -0.187 0.000 0.991 392 Y HN 0.250 nan 8.280 nan 0.000 0.555 393 R N 1.143 121.485 120.500 -0.262 0.000 2.052 393 R HA -0.071 4.274 4.340 0.008 0.000 0.224 393 R C 2.362 178.611 176.300 -0.084 0.000 1.149 393 R CA 1.815 57.845 56.100 -0.116 0.000 0.962 393 R CB -0.501 29.695 30.300 -0.173 0.000 0.856 393 R HN 0.480 nan 8.270 nan 0.000 0.433 394 T N -3.297 111.181 114.554 -0.128 0.000 2.896 394 T HA 0.127 4.481 4.350 0.008 0.000 0.263 394 T C 1.476 176.157 174.700 -0.032 0.000 1.050 394 T CA 1.020 63.077 62.100 -0.071 0.000 1.140 394 T CB 0.077 68.899 68.868 -0.077 0.000 0.877 394 T HN 0.500 nan 8.240 nan 0.000 0.457 395 G N 1.998 110.762 108.800 -0.059 0.000 2.176 395 G HA2 -0.231 3.734 3.960 0.008 0.000 0.232 395 G HA3 -0.231 3.734 3.960 0.008 0.000 0.232 395 G C -0.031 174.967 174.900 0.164 0.000 0.986 395 G CA 0.063 45.219 45.100 0.092 0.000 0.643 395 G HN 1.002 nan 8.290 nan 0.000 0.522 396 K N -0.117 120.317 120.400 0.057 0.000 2.312 396 K HA 0.747 5.071 4.320 0.008 0.000 0.287 396 K C -0.067 176.644 176.600 0.185 0.000 1.062 396 K CA 0.094 56.432 56.287 0.084 0.000 0.934 396 K CB 1.786 34.295 32.500 0.015 0.000 1.027 396 K HN 0.909 nan 8.250 nan 0.000 0.478 397 A N 3.416 126.368 122.820 0.220 0.000 2.343 397 A HA 0.360 4.685 4.320 0.008 0.000 0.308 397 A C -1.178 176.460 177.584 0.091 0.000 1.092 397 A CA -0.726 51.480 52.037 0.281 0.000 0.751 397 A CB 1.236 20.399 19.000 0.271 0.000 1.203 397 A HN 0.914 nan 8.150 nan 0.000 0.452 398 E N 1.848 122.063 120.200 0.025 0.000 2.266 398 E HA 0.570 4.925 4.350 0.008 0.000 0.268 398 E C -1.240 175.175 176.600 -0.309 0.000 0.879 398 E CA -0.606 55.688 56.400 -0.177 0.000 0.762 398 E CB 1.445 30.972 29.700 -0.288 0.000 1.199 398 E HN 0.556 nan 8.360 nan 0.000 0.422 399 K N 2.808 122.995 120.400 -0.356 0.000 2.324 399 K HA 0.383 4.707 4.320 0.008 0.000 0.253 399 K C -1.274 175.084 176.600 -0.403 0.000 0.932 399 K CA -0.650 55.448 56.287 -0.315 0.000 0.799 399 K CB 1.284 33.695 32.500 -0.148 0.000 1.154 399 K HN 0.284 nan 8.250 nan 0.000 0.425 400 F N 1.975 121.918 119.950 -0.011 0.000 2.379 400 F HA 0.114 4.645 4.527 0.007 0.000 0.332 400 F C 1.770 177.624 175.800 0.089 0.000 1.096 400 F CA -0.555 57.462 58.000 0.029 0.000 1.105 400 F CB 0.943 39.966 39.000 0.038 0.000 1.189 400 F HN 0.579 nan 8.300 nan 0.000 0.515 401 E N 0.499 120.844 120.200 0.242 0.000 2.502 401 E HA -0.047 4.308 4.350 0.008 0.000 0.194 401 E C -0.432 176.397 176.600 0.382 0.000 1.062 401 E CA 0.349 56.873 56.400 0.207 0.000 0.867 401 E CB -0.316 29.437 29.700 0.088 0.000 0.888 401 E HN 0.512 nan 8.360 nan 0.000 0.510 402 E N 2.029 122.438 120.200 0.349 0.000 2.220 402 E HA 0.056 4.411 4.350 0.008 0.000 0.272 402 E C -0.546 176.152 176.600 0.164 0.000 1.099 402 E CA -0.154 56.377 56.400 0.218 0.000 0.907 402 E CB 0.102 29.864 29.700 0.103 0.000 1.022 402 E HN 0.282 nan 8.360 nan 0.000 0.428 403 N N 3.888 122.619 118.700 0.053 0.000 2.416 403 N HA -0.007 4.738 4.740 0.008 0.000 0.265 403 N C 0.736 176.087 175.510 -0.264 0.000 1.195 403 N CA -0.234 52.595 53.050 -0.368 0.000 0.943 403 N CB 0.358 38.728 38.487 -0.195 0.000 1.115 403 N HN 0.361 nan 8.380 nan 0.000 0.481 404 L N 3.145 124.177 121.223 -0.317 0.000 2.591 404 L HA 0.309 4.654 4.340 0.008 0.000 0.228 404 L C 1.460 178.242 176.870 -0.147 0.000 1.133 404 L CA 0.041 54.776 54.840 -0.174 0.000 0.880 404 L CB -1.180 40.803 42.059 -0.128 0.000 1.033 404 L HN 0.842 nan 8.230 nan 0.000 0.450 405 G N 0.918 109.603 108.800 -0.191 0.000 2.484 405 G HA2 -0.235 3.730 3.960 0.008 0.000 0.225 405 G HA3 -0.235 3.730 3.960 0.008 0.000 0.225 405 G C -0.493 174.343 174.900 -0.106 0.000 1.250 405 G CA -0.578 44.451 45.100 -0.118 0.000 0.926 405 G HN 0.250 nan 8.290 nan 0.000 0.581 406 N N 0.669 119.352 118.700 -0.028 0.000 2.485 406 N HA 0.466 5.210 4.740 0.008 0.000 0.243 406 N C -0.122 175.363 175.510 -0.042 0.000 0.987 406 N CA -0.209 52.816 53.050 -0.042 0.000 0.940 406 N CB 1.851 40.384 38.487 0.077 0.000 1.122 406 N HN 0.540 nan 8.380 nan 0.000 0.509 407 V N 2.595 122.422 119.914 -0.147 0.000 2.546 407 V HA 0.266 4.391 4.120 0.008 0.000 0.284 407 V C 0.440 176.370 176.094 -0.273 0.000 1.050 407 V CA -0.039 62.209 62.300 -0.087 0.000 0.981 407 V CB 0.414 32.220 31.823 -0.027 0.000 0.990 407 V HN 0.561 nan 8.190 nan 0.000 0.474 408 F N 2.242 122.222 119.950 0.050 0.000 2.746 408 F HA 0.687 5.219 4.527 0.008 0.000 0.320 408 F C 0.692 176.393 175.800 -0.164 0.000 1.097 408 F CA 0.370 58.404 58.000 0.056 0.000 1.195 408 F CB 0.712 39.766 39.000 0.089 0.000 1.056 408 F HN 0.571 nan 8.300 nan 0.000 0.562 409 A N 1.220 123.932 122.820 -0.181 0.000 2.582 409 A HA 0.728 5.052 4.320 0.008 0.000 0.297 409 A C -1.546 175.984 177.584 -0.090 0.000 1.059 409 A CA -0.499 51.407 52.037 -0.219 0.000 0.705 409 A CB 1.810 20.829 19.000 0.032 0.000 1.279 409 A HN -0.001 nan 8.150 nan 0.000 0.404 410 M N 1.827 121.381 119.600 -0.078 0.000 2.365 410 M HA 0.609 5.093 4.480 0.008 0.000 0.288 410 M C -0.892 175.516 176.300 0.181 0.000 1.152 410 M CA 0.098 55.460 55.300 0.102 0.000 0.948 410 M CB 1.760 34.339 32.600 -0.035 0.000 1.729 410 M HN 1.560 nan 8.290 nan 0.000 0.487 411 G N 2.545 111.533 108.800 0.313 0.000 2.619 411 G HA2 0.746 4.711 3.960 0.008 0.000 0.296 411 G HA3 0.746 4.711 3.960 0.008 0.000 0.296 411 G C -2.050 172.940 174.900 0.149 0.000 1.334 411 G CA -0.477 44.782 45.100 0.265 0.000 0.934 411 G HN 0.565 nan 8.290 nan 0.000 0.476 412 V N 1.655 121.608 119.914 0.066 0.000 2.656 412 V HA 0.381 4.505 4.120 0.008 0.000 0.307 412 V C -0.503 175.503 176.094 -0.147 0.000 1.051 412 V CA -0.965 61.299 62.300 -0.060 0.000 0.893 412 V CB 1.867 33.669 31.823 -0.034 0.000 0.999 412 V HN 0.965 nan 8.190 nan 0.000 0.426 413 D N 3.878 124.022 120.400 -0.426 0.000 2.382 413 D HA 0.009 4.653 4.640 0.008 0.000 0.240 413 D C 0.956 177.116 176.300 -0.234 0.000 1.146 413 D CA -0.463 53.276 54.000 -0.436 0.000 0.897 413 D CB 1.250 41.461 40.800 -0.981 0.000 1.197 413 D HN 0.505 nan 8.370 nan 0.000 0.432 414 R N 1.396 121.821 120.500 -0.125 0.000 2.200 414 R HA -0.153 4.192 4.340 0.008 0.000 0.234 414 R C 0.674 176.934 176.300 -0.066 0.000 1.127 414 R CA 1.344 57.407 56.100 -0.060 0.000 0.989 414 R CB -0.148 30.143 30.300 -0.016 0.000 0.869 414 R HN 0.530 nan 8.270 nan 0.000 0.459 415 N N -1.042 117.596 118.700 -0.103 0.000 2.280 415 N HA 0.128 4.873 4.740 0.008 0.000 0.192 415 N C 0.221 175.681 175.510 -0.083 0.000 1.109 415 N CA 0.517 53.524 53.050 -0.071 0.000 0.855 415 N CB 1.303 39.762 38.487 -0.047 0.000 0.974 415 N HN 0.287 nan 8.380 nan 0.000 0.482 416 G N 1.251 109.973 108.800 -0.130 0.000 2.305 416 G HA2 -0.351 3.614 3.960 0.008 0.000 0.287 416 G HA3 -0.351 3.614 3.960 0.008 0.000 0.287 416 G C 0.814 175.662 174.900 -0.086 0.000 1.036 416 G CA 0.620 45.656 45.100 -0.107 0.000 0.887 416 G HN 0.368 nan 8.290 nan 0.000 0.505 417 K N -1.369 118.957 120.400 -0.123 0.000 2.348 417 K HA 0.374 4.699 4.320 0.008 0.000 0.194 417 K C 0.616 177.279 176.600 0.105 0.000 1.052 417 K CA 1.008 57.304 56.287 0.015 0.000 1.004 417 K CB 0.405 32.970 32.500 0.109 0.000 0.873 417 K HN 0.738 nan 8.250 nan 0.000 0.523 418 F N -1.790 118.143 119.950 -0.028 0.000 2.693 418 F HA 0.680 5.212 4.527 0.008 0.000 0.309 418 F C -1.424 174.354 175.800 -0.037 0.000 1.129 418 F CA -1.620 56.349 58.000 -0.052 0.000 0.948 418 F CB 0.860 39.830 39.000 -0.052 0.000 1.315 418 F HN -0.276 nan 8.300 nan 0.000 0.447 419 A N 1.273 124.186 122.820 0.155 0.000 2.322 419 A HA 0.896 5.220 4.320 0.008 0.000 0.327 419 A C -1.550 176.134 177.584 0.165 0.000 1.134 419 A CA -0.990 51.094 52.037 0.079 0.000 0.831 419 A CB 1.704 20.715 19.000 0.018 0.000 1.288 419 A HN 0.875 nan 8.150 nan 0.000 0.472 420 V N 0.729 120.682 119.914 0.065 0.000 2.495 420 V HA 0.579 4.703 4.120 0.008 0.000 0.298 420 V C -0.607 175.376 176.094 -0.185 0.000 1.031 420 V CA -0.365 61.840 62.300 -0.158 0.000 0.871 420 V CB 1.488 33.069 31.823 -0.404 0.000 0.988 420 V HN 0.688 nan 8.190 nan 0.000 0.432 421 V N 2.990 122.769 119.914 -0.226 0.000 2.876 421 V HA 0.917 5.042 4.120 0.008 0.000 0.312 421 V C -0.084 175.950 176.094 -0.100 0.000 1.085 421 V CA -0.609 61.635 62.300 -0.094 0.000 0.945 421 V CB 2.123 33.908 31.823 -0.064 0.000 1.017 421 V HN 1.008 nan 8.190 nan 0.000 0.428 422 A N 3.745 126.593 122.820 0.047 0.000 2.356 422 A HA 0.847 5.172 4.320 0.008 0.000 0.310 422 A C -0.489 177.179 177.584 0.140 0.000 1.075 422 A CA -0.711 51.386 52.037 0.099 0.000 0.746 422 A CB 1.011 20.156 19.000 0.241 0.000 1.221 422 A HN 1.015 nan 8.150 nan 0.000 0.443 423 N N 0.510 119.297 118.700 0.146 0.000 2.701 423 N HA 0.405 5.149 4.740 0.008 0.000 0.290 423 N C -0.591 175.092 175.510 0.287 0.000 1.338 423 N CA -0.533 52.644 53.050 0.212 0.000 0.799 423 N CB 1.170 39.710 38.487 0.088 0.000 1.491 423 N HN 0.426 nan 8.380 nan 0.000 0.540 424 D N -0.526 120.059 120.400 0.309 0.000 2.352 424 D HA -0.042 4.603 4.640 0.008 0.000 0.232 424 D C 0.887 177.175 176.300 -0.021 0.000 1.055 424 D CA 0.272 54.411 54.000 0.232 0.000 0.891 424 D CB -0.161 40.771 40.800 0.221 0.000 0.897 424 D HN 0.445 nan 8.370 nan 0.000 0.529 425 R N -0.693 119.793 120.500 -0.022 0.000 2.300 425 R HA 0.220 4.565 4.340 0.008 0.000 0.199 425 R C 0.198 176.429 176.300 -0.115 0.000 0.920 425 R CA -0.074 55.908 56.100 -0.198 0.000 1.046 425 R CB -0.099 30.144 30.300 -0.095 0.000 0.984 425 R HN 0.140 nan 8.270 nan 0.000 0.493 426 F N -0.014 119.913 119.950 -0.038 0.000 2.893 426 F HA -0.258 4.274 4.527 0.007 0.000 0.287 426 F C -0.407 175.361 175.800 -0.053 0.000 0.766 426 F CA -0.126 57.840 58.000 -0.058 0.000 1.362 426 F CB -1.522 37.428 39.000 -0.084 0.000 1.518 426 F HN 0.172 nan 8.300 nan 0.000 0.417 427 E N 1.355 121.627 120.200 0.120 0.000 2.222 427 E HA 0.708 5.063 4.350 0.008 0.000 0.272 427 E C -0.302 176.267 176.600 -0.052 0.000 0.982 427 E CA -0.892 55.518 56.400 0.017 0.000 0.842 427 E CB 3.020 32.705 29.700 -0.024 0.000 1.144 427 E HN 0.314 nan 8.360 nan 0.000 0.397 428 I N 3.511 123.984 120.570 -0.163 0.000 2.436 428 I HA 0.405 4.580 4.170 0.008 0.000 0.289 428 I C -0.975 174.946 176.117 -0.327 0.000 1.010 428 I CA -0.547 60.573 61.300 -0.299 0.000 1.098 428 I CB 0.646 38.337 38.000 -0.516 0.000 1.266 428 I HN 0.629 nan 8.210 nan 0.000 0.434 429 M N 5.210 124.628 119.600 -0.302 0.000 2.664 429 M HA 0.605 5.090 4.480 0.008 0.000 0.279 429 M C -1.172 174.983 176.300 -0.241 0.000 1.275 429 M CA -0.562 54.579 55.300 -0.266 0.000 0.829 429 M CB 2.092 34.582 32.600 -0.182 0.000 1.727 429 M HN 0.488 nan 8.290 nan 0.000 0.459 430 T N -0.641 113.790 114.554 -0.205 0.000 2.945 430 T HA 0.792 5.147 4.350 0.008 0.000 0.286 430 T C -0.656 173.981 174.700 -0.105 0.000 1.025 430 T CA -0.746 61.272 62.100 -0.136 0.000 1.039 430 T CB 1.870 70.600 68.868 -0.230 0.000 1.068 430 T HN 0.602 nan 8.240 nan 0.000 0.497 431 V N 1.904 121.788 119.914 -0.049 0.000 2.532 431 V HA 0.283 4.407 4.120 0.008 0.000 0.294 431 V C -0.446 175.587 176.094 -0.101 0.000 1.036 431 V CA -1.018 61.214 62.300 -0.113 0.000 0.876 431 V CB 1.586 33.317 31.823 -0.154 0.000 1.012 431 V HN 1.091 nan 8.190 nan 0.000 0.432 432 D N 4.368 124.695 120.400 -0.122 0.000 2.412 432 D HA 0.064 4.709 4.640 0.008 0.000 0.257 432 D C 1.048 177.222 176.300 -0.210 0.000 1.217 432 D CA 0.073 54.022 54.000 -0.085 0.000 0.897 432 D CB 1.182 41.941 40.800 -0.069 0.000 1.132 432 D HN 0.532 nan 8.370 nan 0.000 0.493 433 L N 3.242 124.399 121.223 -0.109 0.000 2.633 433 L HA -0.066 4.278 4.340 0.008 0.000 0.235 433 L C 2.012 178.916 176.870 0.056 0.000 1.163 433 L CA 0.537 55.309 54.840 -0.113 0.000 0.859 433 L CB -0.156 41.902 42.059 -0.001 0.000 0.973 433 L HN 0.523 nan 8.230 nan 0.000 0.451 434 E N -0.368 119.857 120.200 0.041 0.000 2.228 434 E HA -0.090 4.265 4.350 0.008 0.000 0.197 434 E C 1.991 178.712 176.600 0.202 0.000 0.909 434 E CA 0.979 57.465 56.400 0.143 0.000 0.911 434 E CB 0.401 30.149 29.700 0.080 0.000 0.887 434 E HN 0.375 nan 8.360 nan 0.000 0.481 435 T N -3.397 111.203 114.554 0.078 0.000 3.037 435 T HA 0.248 4.602 4.350 0.008 0.000 0.252 435 T C 1.518 176.254 174.700 0.060 0.000 1.073 435 T CA 0.760 62.917 62.100 0.096 0.000 1.091 435 T CB 0.715 69.603 68.868 0.032 0.000 0.935 435 T HN 0.303 nan 8.240 nan 0.000 0.488 436 G N 1.721 110.337 108.800 -0.307 0.000 2.179 436 G HA2 -0.302 3.663 3.960 0.008 0.000 0.260 436 G HA3 -0.302 3.663 3.960 0.008 0.000 0.260 436 G C 0.017 174.763 174.900 -0.257 0.000 0.977 436 G CA 0.340 45.038 45.100 -0.670 0.000 0.641 436 G HN 0.860 nan 8.290 nan 0.000 0.533 437 K N 1.959 122.275 120.400 -0.139 0.000 2.412 437 K HA 0.347 4.671 4.320 0.008 0.000 0.284 437 K C -1.915 174.623 176.600 -0.104 0.000 1.046 437 K CA -1.119 55.120 56.287 -0.081 0.000 0.999 437 K CB 0.922 33.393 32.500 -0.048 0.000 0.941 437 K HN 0.221 nan 8.250 nan 0.000 0.474 438 P HA 0.226 nan 4.420 nan 0.000 0.282 438 P C -1.193 176.052 177.300 -0.091 0.000 1.259 438 P CA -0.573 62.468 63.100 -0.098 0.000 0.826 438 P CB 1.579 33.227 31.700 -0.087 0.000 1.064 439 T N 0.637 115.123 114.554 -0.113 0.000 3.050 439 T HA 0.198 4.552 4.350 0.008 0.000 0.310 439 T C -0.300 174.303 174.700 -0.162 0.000 0.978 439 T CA -0.359 61.671 62.100 -0.117 0.000 1.013 439 T CB 0.720 69.524 68.868 -0.107 0.000 1.000 439 T HN 0.070 nan 8.240 nan 0.000 0.447 440 V N 5.388 125.215 119.914 -0.145 0.000 2.529 440 V HA 0.158 4.282 4.120 0.008 0.000 0.292 440 V C 1.398 177.344 176.094 -0.247 0.000 1.028 440 V CA 0.335 62.531 62.300 -0.173 0.000 1.074 440 V CB 0.271 32.025 31.823 -0.116 0.000 0.958 440 V HN 0.857 nan 8.190 nan 0.000 0.481 441 I N 2.662 123.015 120.570 -0.362 0.000 2.296 441 I HA 0.142 4.317 4.170 0.008 0.000 0.242 441 I C 1.083 177.009 176.117 -0.317 0.000 1.087 441 I CA 0.960 61.921 61.300 -0.564 0.000 1.393 441 I CB 0.284 37.817 38.000 -0.778 0.000 1.093 441 I HN 0.705 nan 8.210 nan 0.000 0.421 442 E N -0.230 119.841 120.200 -0.214 0.000 2.423 442 E HA 0.418 4.772 4.350 0.008 0.000 0.280 442 E C -1.086 175.548 176.600 0.057 0.000 1.030 442 E CA -0.762 55.620 56.400 -0.030 0.000 0.812 442 E CB 2.301 32.048 29.700 0.078 0.000 1.313 442 E HN -0.055 nan 8.360 nan 0.000 0.456 443 R N 1.631 122.247 120.500 0.193 0.000 2.514 443 R HA 0.368 4.712 4.340 0.008 0.000 0.296 443 R C -1.325 175.151 176.300 0.293 0.000 1.012 443 R CA -0.381 55.833 56.100 0.189 0.000 0.897 443 R CB 1.916 32.275 30.300 0.098 0.000 1.184 443 R HN 0.443 nan 8.270 nan 0.000 0.440 444 S N 1.987 117.772 115.700 0.142 0.000 2.632 444 S HA 0.253 4.727 4.470 0.008 0.000 0.271 444 S C 0.839 175.500 174.600 0.101 0.000 1.260 444 S CA -0.656 57.438 58.200 -0.177 0.000 1.010 444 S CB 0.825 63.663 63.200 -0.604 0.000 0.965 444 S HN 0.788 nan 8.310 nan 0.000 0.534 445 R N 1.106 121.637 120.500 0.051 0.000 2.437 445 R HA 0.365 4.710 4.340 0.008 0.000 0.257 445 R C 0.195 176.619 176.300 0.206 0.000 0.927 445 R CA -0.278 55.932 56.100 0.183 0.000 1.078 445 R CB 0.083 30.435 30.300 0.087 0.000 1.161 445 R HN 0.437 nan 8.270 nan 0.000 0.529 446 E N 1.235 121.418 120.200 -0.029 0.000 2.228 446 E HA 0.321 4.675 4.350 0.008 0.000 0.197 446 E C 0.447 176.730 176.600 -0.529 0.000 0.909 446 E CA 0.860 57.170 56.400 -0.150 0.000 0.911 446 E CB 0.825 30.405 29.700 -0.200 0.000 0.887 446 E HN 0.338 nan 8.360 nan 0.000 0.481 447 A N 0.218 122.409 122.820 -1.048 0.000 2.581 447 A HA 0.602 4.926 4.320 0.008 0.000 0.290 447 A C -0.778 176.031 177.584 -1.292 0.000 1.119 447 A CA -0.735 50.449 52.037 -1.422 0.000 0.670 447 A CB 0.600 19.236 19.000 -0.606 0.000 1.280 447 A HN 0.016 nan 8.150 nan 0.000 0.425 448 M N 0.583 119.674 119.600 -0.848 0.000 2.250 448 M HA 0.225 4.709 4.480 0.008 0.000 0.325 448 M C -0.369 175.829 176.300 -0.170 0.000 1.084 448 M CA 0.837 55.954 55.300 -0.305 0.000 1.161 448 M CB 0.019 32.552 32.600 -0.112 0.000 1.481 448 M HN 0.463 nan 8.290 nan 0.000 0.449 449 I N 2.361 122.914 120.570 -0.029 0.000 2.325 449 I HA 0.066 4.240 4.170 0.008 0.000 0.285 449 I C 1.196 177.436 176.117 0.205 0.000 1.128 449 I CA -0.159 61.179 61.300 0.064 0.000 1.261 449 I CB -0.166 37.858 38.000 0.040 0.000 1.529 449 I HN 0.807 nan 8.210 nan 0.000 0.557 450 T N -2.311 112.325 114.554 0.136 0.000 3.081 450 T HA 0.018 4.373 4.350 0.008 0.000 0.255 450 T C 0.646 175.319 174.700 -0.046 0.000 1.113 450 T CA 0.047 62.212 62.100 0.109 0.000 1.082 450 T CB 0.022 68.915 68.868 0.043 0.000 0.939 450 T HN 0.245 nan 8.240 nan 0.000 0.506 451 D N 1.480 121.914 120.400 0.057 0.000 2.485 451 D HA 0.424 5.068 4.640 0.008 0.000 0.221 451 D C -0.791 175.600 176.300 0.151 0.000 1.112 451 D CA -1.054 52.949 54.000 0.006 0.000 0.911 451 D CB -0.154 40.699 40.800 0.089 0.000 1.019 451 D HN 0.496 nan 8.370 nan 0.000 0.516 452 F N -0.076 119.964 119.950 0.149 0.000 2.643 452 F HA 0.723 5.254 4.527 0.007 0.000 0.314 452 F C -0.608 175.309 175.800 0.196 0.000 1.096 452 F CA -1.022 57.104 58.000 0.211 0.000 0.953 452 F CB 1.874 41.013 39.000 0.231 0.000 1.345 452 F HN -0.027 nan 8.300 nan 0.000 0.468 453 T N 1.555 116.438 114.554 0.548 0.000 2.900 453 T HA 0.713 5.068 4.350 0.008 0.000 0.303 453 T C -1.521 173.523 174.700 0.574 0.000 1.142 453 T CA -0.621 61.756 62.100 0.461 0.000 1.007 453 T CB 1.476 70.540 68.868 0.328 0.000 1.156 453 T HN 0.670 nan 8.240 nan 0.000 0.490 454 I N 3.333 124.180 120.570 0.462 0.000 2.433 454 I HA 0.373 4.547 4.170 0.008 0.000 0.292 454 I C 0.676 176.930 176.117 0.229 0.000 1.001 454 I CA -0.965 60.553 61.300 0.362 0.000 1.119 454 I CB 2.187 40.345 38.000 0.263 0.000 1.289 454 I HN 0.746 nan 8.210 nan 0.000 0.438 455 S N 2.633 118.289 115.700 -0.073 0.000 2.572 455 S HA 0.057 4.532 4.470 0.008 0.000 0.279 455 S C 0.577 175.157 174.600 -0.032 0.000 1.341 455 S CA -0.551 57.487 58.200 -0.270 0.000 1.043 455 S CB 0.995 63.808 63.200 -0.645 0.000 0.887 455 S HN 0.568 nan 8.310 nan 0.000 0.516 456 D N 1.928 122.346 120.400 0.031 0.000 2.228 456 D HA -0.150 4.494 4.640 0.008 0.000 0.203 456 D C 1.476 177.787 176.300 0.018 0.000 0.988 456 D CA 1.685 55.710 54.000 0.041 0.000 0.864 456 D CB -0.436 40.405 40.800 0.068 0.000 0.928 456 D HN 0.869 nan 8.370 nan 0.000 0.469 457 N N -0.660 118.045 118.700 0.009 0.000 2.383 457 N HA -0.037 4.708 4.740 0.008 0.000 0.192 457 N C -0.135 175.362 175.510 -0.022 0.000 1.141 457 N CA 0.274 53.326 53.050 0.003 0.000 0.851 457 N CB 0.137 38.640 38.487 0.026 0.000 0.976 457 N HN -0.214 nan 8.380 nan 0.000 0.465 458 S N -1.167 114.528 115.700 -0.008 0.000 3.476 458 S HA -0.257 4.217 4.470 0.008 0.000 0.309 458 S C 0.927 175.548 174.600 0.035 0.000 1.222 458 S CA 1.147 59.402 58.200 0.092 0.000 0.922 458 S CB -1.557 61.727 63.200 0.139 0.000 1.023 458 S HN 0.775 nan 8.310 nan 0.000 0.591 459 R N -0.281 120.081 120.500 -0.229 0.000 2.146 459 R HA 0.322 4.667 4.340 0.008 0.000 0.206 459 R C -0.057 175.794 176.300 -0.747 0.000 1.049 459 R CA 0.717 56.470 56.100 -0.579 0.000 1.029 459 R CB 0.340 30.082 30.300 -0.931 0.000 0.949 459 R HN 0.367 nan 8.270 nan 0.000 0.471 460 F N 0.429 120.240 119.950 -0.231 0.000 2.492 460 F HA 0.508 5.040 4.527 0.007 0.000 0.327 460 F C -0.218 175.598 175.800 0.025 0.000 1.079 460 F CA -1.087 56.803 58.000 -0.183 0.000 0.967 460 F CB 1.810 40.594 39.000 -0.360 0.000 1.169 460 F HN -0.212 nan 8.300 nan 0.000 0.472 461 I N 2.328 123.179 120.570 0.468 0.000 2.468 461 I HA 0.501 4.676 4.170 0.008 0.000 0.284 461 I C -0.731 175.768 176.117 0.636 0.000 1.038 461 I CA -0.677 60.953 61.300 0.550 0.000 1.083 461 I CB 1.566 39.853 38.000 0.479 0.000 1.223 461 I HN 0.701 nan 8.210 nan 0.000 0.443 462 A N 6.932 130.141 122.820 0.649 0.000 2.305 462 A HA 0.866 5.190 4.320 0.008 0.000 0.322 462 A C -1.172 176.646 177.584 0.390 0.000 1.187 462 A CA -0.245 52.002 52.037 0.350 0.000 0.825 462 A CB 0.637 19.702 19.000 0.109 0.000 1.164 462 A HN 0.699 nan 8.150 nan 0.000 0.498 463 Y N -0.764 119.663 120.300 0.212 0.000 2.581 463 Y HA 0.689 5.244 4.550 0.007 0.000 0.337 463 Y C 0.153 176.114 175.900 0.102 0.000 1.108 463 Y CA -1.009 57.215 58.100 0.208 0.000 1.033 463 Y CB 0.699 39.321 38.460 0.268 0.000 1.318 463 Y HN 0.823 nan 8.280 nan 0.000 0.459 464 G N 1.559 110.502 108.800 0.238 0.000 2.355 464 G HA2 0.392 4.357 3.960 0.008 0.000 0.276 464 G HA3 0.392 4.357 3.960 0.008 0.000 0.276 464 G C -1.893 173.115 174.900 0.180 0.000 1.198 464 G CA -0.369 44.778 45.100 0.078 0.000 0.876 464 G HN 0.681 nan 8.290 nan 0.000 0.478 465 F N 6.102 125.955 119.950 -0.162 0.000 2.325 465 F HA 0.447 4.979 4.527 0.007 0.000 0.369 465 F C -1.957 173.745 175.800 -0.164 0.000 1.095 465 F CA -2.892 55.013 58.000 -0.159 0.000 1.082 465 F CB 2.235 40.937 39.000 -0.497 0.000 1.289 465 F HN 0.260 nan 8.300 nan 0.000 0.462 466 P HA 0.235 nan 4.420 nan 0.000 0.271 466 P C -1.409 175.605 177.300 -0.477 0.000 1.220 466 P CA 0.066 62.939 63.100 -0.378 0.000 0.768 466 P CB 1.470 32.959 31.700 -0.353 0.000 0.848 467 L N 0.549 121.656 121.223 -0.194 0.000 2.600 467 L HA 0.768 5.113 4.340 0.008 0.000 0.257 467 L C -1.020 175.851 176.870 0.001 0.000 1.048 467 L CA -0.837 53.956 54.840 -0.078 0.000 0.869 467 L CB 1.965 44.089 42.059 0.108 0.000 1.482 467 L HN 0.117 nan 8.230 nan 0.000 0.408 468 K N -0.243 120.176 120.400 0.031 0.000 2.469 468 K HA 0.312 4.637 4.320 0.008 0.000 0.254 468 K C -0.045 176.599 176.600 0.073 0.000 0.939 468 K CA -0.593 55.730 56.287 0.060 0.000 0.812 468 K CB 1.856 34.370 32.500 0.023 0.000 1.301 468 K HN 0.973 nan 8.250 nan 0.000 0.433 469 H N 0.664 119.755 119.070 0.036 0.000 2.395 469 H HA 0.053 4.614 4.556 0.007 0.000 0.299 469 H C 0.134 175.478 175.328 0.027 0.000 1.070 469 H CA 1.095 57.162 56.048 0.032 0.000 1.356 469 H CB 0.581 30.359 29.762 0.027 0.000 1.401 469 H HN 0.585 nan 8.280 nan 0.000 0.524 470 G N -0.055 108.279 108.800 -0.777 0.000 2.574 470 G HA2 0.208 4.172 3.960 0.008 0.000 0.299 470 G HA3 0.208 4.172 3.960 0.008 0.000 0.299 470 G C 0.253 175.019 174.900 -0.224 0.000 1.298 470 G CA -0.104 44.609 45.100 -0.645 0.000 0.952 470 G HN 0.293 nan 8.290 nan 0.000 0.477 471 E N -0.374 119.733 120.200 -0.155 0.000 2.160 471 E HA -0.179 4.176 4.350 0.008 0.000 0.195 471 E C 1.680 178.244 176.600 -0.060 0.000 0.991 471 E CA 1.815 58.164 56.400 -0.085 0.000 0.810 471 E CB 0.097 29.750 29.700 -0.077 0.000 0.742 471 E HN 0.457 nan 8.360 nan 0.000 0.466 472 T N -0.760 113.762 114.554 -0.053 0.000 3.258 472 T HA 0.161 4.515 4.350 0.008 0.000 0.263 472 T C -0.495 174.214 174.700 0.014 0.000 0.983 472 T CA -0.699 61.385 62.100 -0.026 0.000 0.907 472 T CB 0.006 68.856 68.868 -0.029 0.000 1.096 472 T HN -0.105 nan 8.240 nan 0.000 0.556 473 D N 1.281 121.703 120.400 0.036 0.000 2.372 473 D HA 0.386 5.030 4.640 0.008 0.000 0.243 473 D C 1.514 177.837 176.300 0.038 0.000 1.121 473 D CA -0.025 54.035 54.000 0.099 0.000 0.898 473 D CB 1.000 41.902 40.800 0.170 0.000 1.202 473 D HN 0.322 nan 8.370 nan 0.000 0.428 474 G N 0.518 109.336 108.800 0.031 0.000 2.511 474 G HA2 -0.082 3.882 3.960 0.008 0.000 0.217 474 G HA3 -0.082 3.882 3.960 0.008 0.000 0.217 474 G C -0.115 174.581 174.900 -0.340 0.000 1.133 474 G CA 0.483 45.495 45.100 -0.147 0.000 0.792 474 G HN 0.379 nan 8.290 nan 0.000 0.539 475 Y N -0.850 119.466 120.300 0.027 0.000 2.446 475 Y HA 0.539 5.094 4.550 0.007 0.000 0.345 475 Y C -0.352 175.557 175.900 0.015 0.000 0.984 475 Y CA -0.991 57.117 58.100 0.014 0.000 1.058 475 Y CB 2.533 41.004 38.460 0.018 0.000 1.220 475 Y HN -0.200 nan 8.280 nan 0.000 0.455 476 V N 5.237 125.237 119.914 0.144 0.000 2.394 476 V HA 0.311 4.435 4.120 0.008 0.000 0.282 476 V C 0.050 176.208 176.094 0.107 0.000 1.031 476 V CA -0.730 61.615 62.300 0.074 0.000 0.881 476 V CB 0.866 32.688 31.823 -0.003 0.000 0.982 476 V HN 0.712 nan 8.190 nan 0.000 0.451 477 M N 3.790 123.437 119.600 0.077 0.000 2.369 477 M HA 0.537 5.021 4.480 0.008 0.000 0.291 477 M C -0.325 175.983 176.300 0.014 0.000 1.178 477 M CA -0.308 55.034 55.300 0.071 0.000 0.996 477 M CB 1.043 33.676 32.600 0.054 0.000 1.472 477 M HN 0.731 nan 8.290 nan 0.000 0.496 478 Q N 0.366 120.149 119.800 -0.028 0.000 2.263 478 Q HA 0.672 5.016 4.340 0.008 0.000 0.262 478 Q C -2.155 173.764 176.000 -0.134 0.000 0.984 478 Q CA -0.420 55.311 55.803 -0.121 0.000 0.813 478 Q CB 2.150 30.723 28.738 -0.275 0.000 1.299 478 Q HN 0.864 nan 8.270 nan 0.000 0.428 479 A N 4.389 127.138 122.820 -0.120 0.000 2.355 479 A HA 0.699 5.023 4.320 0.008 0.000 0.324 479 A C -0.706 176.729 177.584 -0.248 0.000 1.117 479 A CA -0.715 51.224 52.037 -0.162 0.000 0.785 479 A CB 0.970 19.919 19.000 -0.086 0.000 1.254 479 A HN 0.706 nan 8.150 nan 0.000 0.453 480 I N 2.679 123.086 120.570 -0.272 0.000 2.416 480 I HA 0.256 4.430 4.170 0.008 0.000 0.288 480 I C -0.208 175.799 176.117 -0.184 0.000 1.051 480 I CA 0.108 61.229 61.300 -0.298 0.000 1.375 480 I CB 0.109 37.855 38.000 -0.423 0.000 1.407 480 I HN 0.540 nan 8.210 nan 0.000 0.516 481 H N 4.620 123.385 119.070 -0.508 0.000 2.621 481 H HA 0.640 5.200 4.556 0.007 0.000 0.360 481 H C -0.661 174.340 175.328 -0.545 0.000 1.163 481 H CA -0.877 54.842 56.048 -0.548 0.000 1.194 481 H CB 2.240 31.565 29.762 -0.728 0.000 1.649 481 H HN 0.200 nan 8.280 nan 0.000 0.532 482 V N 3.037 122.925 119.914 -0.044 0.000 2.483 482 V HA 0.115 4.240 4.120 0.008 0.000 0.297 482 V C -1.046 175.274 176.094 0.376 0.000 1.027 482 V CA -0.913 61.483 62.300 0.160 0.000 0.855 482 V CB 1.443 33.358 31.823 0.153 0.000 0.995 482 V HN 0.619 nan 8.190 nan 0.000 0.424 483 Y N 3.641 124.137 120.300 0.326 0.000 2.335 483 Y HA 0.505 5.060 4.550 0.007 0.000 0.339 483 Y C 0.029 176.092 175.900 0.272 0.000 0.987 483 Y CA -1.021 57.259 58.100 0.301 0.000 1.140 483 Y CB 1.211 39.841 38.460 0.284 0.000 1.173 483 Y HN 0.709 nan 8.280 nan 0.000 0.486 484 D N 6.858 127.162 120.400 -0.160 0.000 2.380 484 D HA 0.085 4.729 4.640 0.008 0.000 0.230 484 D C 1.014 176.921 176.300 -0.655 0.000 1.154 484 D CA -0.141 53.711 54.000 -0.246 0.000 0.859 484 D CB 0.825 41.639 40.800 0.023 0.000 1.045 484 D HN 0.656 nan 8.370 nan 0.000 0.495 485 M N 1.838 121.069 119.600 -0.615 0.000 2.192 485 M HA -0.164 4.320 4.480 0.008 0.000 0.259 485 M C 0.345 176.420 176.300 -0.376 0.000 1.071 485 M CA 1.332 56.318 55.300 -0.523 0.000 1.082 485 M CB -0.550 31.823 32.600 -0.379 0.000 1.373 485 M HN 0.407 nan 8.290 nan 0.000 0.408 486 E N -0.127 119.877 120.200 -0.327 0.000 2.044 486 E HA 0.389 4.744 4.350 0.008 0.000 0.282 486 E C 0.918 177.433 176.600 -0.142 0.000 1.031 486 E CA 0.259 56.539 56.400 -0.199 0.000 0.824 486 E CB 0.321 29.920 29.700 -0.168 0.000 1.076 486 E HN 0.521 nan 8.360 nan 0.000 0.395 487 G N 3.846 112.579 108.800 -0.111 0.000 2.238 487 G HA2 -0.347 3.617 3.960 0.008 0.000 0.217 487 G HA3 -0.347 3.617 3.960 0.008 0.000 0.217 487 G C 0.541 175.397 174.900 -0.073 0.000 0.996 487 G CA -0.215 44.852 45.100 -0.055 0.000 0.632 487 G HN 0.598 nan 8.290 nan 0.000 0.503 488 R N -0.006 120.381 120.500 -0.187 0.000 3.322 488 R HA -0.202 4.142 4.340 0.008 0.000 0.253 488 R C 0.333 176.634 176.300 0.002 0.000 0.987 488 R CA 1.748 57.738 56.100 -0.183 0.000 0.666 488 R CB -1.535 28.792 30.300 0.045 0.000 1.072 488 R HN 0.854 nan 8.270 nan 0.000 0.447 489 K N -0.020 120.342 120.400 -0.062 0.000 2.324 489 K HA 0.543 4.868 4.320 0.008 0.000 0.253 489 K C -0.271 176.298 176.600 -0.052 0.000 0.932 489 K CA -0.929 55.325 56.287 -0.055 0.000 0.799 489 K CB 2.039 34.447 32.500 -0.154 0.000 1.154 489 K HN -0.014 nan 8.250 nan 0.000 0.425 490 I N 2.849 123.325 120.570 -0.157 0.000 2.365 490 I HA 0.289 4.463 4.170 0.008 0.000 0.291 490 I C -0.761 175.052 176.117 -0.507 0.000 1.004 490 I CA -0.677 60.557 61.300 -0.109 0.000 1.311 490 I CB 0.379 38.328 38.000 -0.085 0.000 1.401 490 I HN 0.457 nan 8.210 nan 0.000 0.491 491 F N 3.774 123.669 119.950 -0.092 0.000 2.532 491 F HA 0.592 5.124 4.527 0.008 0.000 0.321 491 F C 0.360 176.036 175.800 -0.206 0.000 1.089 491 F CA -0.824 57.102 58.000 -0.123 0.000 0.926 491 F CB 1.709 40.676 39.000 -0.054 0.000 1.168 491 F HN 0.381 nan 8.300 nan 0.000 0.459 492 A N 1.390 124.192 122.820 -0.030 0.000 2.302 492 A HA 0.618 4.942 4.320 0.008 0.000 0.295 492 A C 0.718 178.365 177.584 0.105 0.000 1.235 492 A CA 0.167 52.169 52.037 -0.059 0.000 0.876 492 A CB 0.312 19.240 19.000 -0.119 0.000 1.133 492 A HN 0.998 nan 8.150 nan 0.000 0.533 493 A N 2.344 125.178 122.820 0.023 0.000 2.021 493 A HA 0.375 4.700 4.320 0.008 0.000 0.216 493 A C 1.206 178.753 177.584 -0.063 0.000 1.163 493 A CA 1.624 53.637 52.037 -0.041 0.000 0.676 493 A CB 0.010 18.895 19.000 -0.191 0.000 0.818 493 A HN 0.865 nan 8.150 nan 0.000 0.453 494 T N -1.147 113.335 114.554 -0.120 0.000 2.868 494 T HA 0.483 4.837 4.350 0.008 0.000 0.306 494 T C -0.010 174.560 174.700 -0.217 0.000 1.224 494 T CA 0.131 62.130 62.100 -0.168 0.000 1.012 494 T CB 1.205 69.874 68.868 -0.333 0.000 1.221 494 T HN 0.433 nan 8.240 nan 0.000 0.499 495 T N 0.796 115.207 114.554 -0.239 0.000 2.748 495 T HA 0.307 4.662 4.350 0.008 0.000 0.304 495 T C 0.634 175.242 174.700 -0.153 0.000 1.041 495 T CA -0.313 61.625 62.100 -0.269 0.000 1.033 495 T CB 0.313 69.059 68.868 -0.204 0.000 0.995 495 T HN 0.687 nan 8.240 nan 0.000 0.536 496 E N 0.292 120.424 120.200 -0.114 0.000 2.335 496 E HA 0.110 4.464 4.350 0.008 0.000 0.191 496 E C 0.661 177.244 176.600 -0.029 0.000 1.077 496 E CA -0.112 56.261 56.400 -0.045 0.000 1.010 496 E CB -0.416 29.282 29.700 -0.003 0.000 1.141 496 E HN 0.671 nan 8.360 nan 0.000 0.452 497 N N 0.216 118.888 118.700 -0.047 0.000 2.373 497 N HA -0.035 4.709 4.740 0.008 0.000 0.181 497 N C 0.609 176.104 175.510 -0.025 0.000 1.082 497 N CA 0.280 53.308 53.050 -0.037 0.000 0.885 497 N CB 0.491 38.949 38.487 -0.048 0.000 0.977 497 N HN 0.081 nan 8.380 nan 0.000 0.462 498 S N -1.220 114.476 115.700 -0.006 0.000 3.888 498 S HA 0.152 4.627 4.470 0.008 0.000 0.307 498 S C -1.297 173.371 174.600 0.113 0.000 1.122 498 S CA -0.826 57.399 58.200 0.043 0.000 1.197 498 S CB 1.416 64.643 63.200 0.045 0.000 1.533 498 S HN 0.035 nan 8.310 nan 0.000 0.696 499 H N 1.942 121.074 119.070 0.103 0.000 2.718 499 H HA 0.497 5.057 4.556 0.007 0.000 0.295 499 H C -1.645 173.859 175.328 0.293 0.000 1.051 499 H CA -0.271 55.879 56.048 0.171 0.000 1.260 499 H CB 0.351 30.233 29.762 0.200 0.000 1.403 499 H HN 0.509 nan 8.280 nan 0.000 0.488 500 D N 5.472 125.879 120.400 0.011 0.000 2.192 500 D HA 0.235 4.880 4.640 0.008 0.000 0.246 500 D C -0.148 176.212 176.300 0.100 0.000 1.042 500 D CA -0.039 54.012 54.000 0.086 0.000 0.847 500 D CB 1.951 42.667 40.800 -0.140 0.000 1.186 500 D HN 0.591 nan 8.370 nan 0.000 0.461 501 Y N -2.237 118.047 120.300 -0.027 0.000 2.853 501 Y HA 0.535 5.089 4.550 0.007 0.000 0.326 501 Y C -0.295 175.649 175.900 0.073 0.000 1.384 501 Y CA -1.486 56.601 58.100 -0.021 0.000 1.077 501 Y CB 0.565 39.036 38.460 0.019 0.000 1.395 501 Y HN 0.400 nan 8.280 nan 0.000 0.451 502 A N 0.245 123.119 122.820 0.089 0.000 2.610 502 A HA -0.116 4.209 4.320 0.008 0.000 0.299 502 A C -2.655 174.927 177.584 -0.003 0.000 1.487 502 A CA 0.271 52.319 52.037 0.017 0.000 0.743 502 A CB -2.531 16.429 19.000 -0.066 0.000 1.070 502 A HN 0.591 nan 8.150 nan 0.000 0.439 503 P HA 0.470 nan 4.420 nan 0.000 0.272 503 P C -0.198 177.091 177.300 -0.018 0.000 1.223 503 P CA 0.749 63.845 63.100 -0.008 0.000 0.784 503 P CB 1.301 32.964 31.700 -0.061 0.000 0.923 504 A N 2.438 125.216 122.820 -0.071 0.000 2.491 504 A HA 0.596 4.920 4.320 0.008 0.000 0.293 504 A C -1.125 176.450 177.584 -0.016 0.000 1.047 504 A CA -0.536 51.500 52.037 -0.003 0.000 0.735 504 A CB 0.485 19.502 19.000 0.028 0.000 1.281 504 A HN 0.293 nan 8.150 nan 0.000 0.398 505 F N 1.749 121.804 119.950 0.175 0.000 2.371 505 F HA 0.434 4.965 4.527 0.007 0.000 0.329 505 F C 0.908 176.812 175.800 0.173 0.000 1.107 505 F CA -0.033 58.082 58.000 0.193 0.000 1.137 505 F CB 1.189 40.289 39.000 0.168 0.000 1.214 505 F HN 0.707 nan 8.300 nan 0.000 0.536 506 D N 1.045 121.690 120.400 0.408 0.000 2.354 506 D HA 0.290 4.934 4.640 0.008 0.000 0.247 506 D C 0.901 177.333 176.300 0.220 0.000 1.138 506 D CA -0.354 53.797 54.000 0.252 0.000 0.958 506 D CB 0.687 41.662 40.800 0.291 0.000 1.144 506 D HN 0.563 nan 8.370 nan 0.000 0.458 507 A N 1.013 123.919 122.820 0.142 0.000 1.927 507 A HA -0.258 4.066 4.320 0.008 0.000 0.220 507 A C 1.452 179.111 177.584 0.126 0.000 1.185 507 A CA 1.900 54.008 52.037 0.119 0.000 0.639 507 A CB -0.670 18.379 19.000 0.082 0.000 0.820 507 A HN 0.603 nan 8.150 nan 0.000 0.451 508 D N -0.433 120.048 120.400 0.136 0.000 2.349 508 D HA 0.158 4.802 4.640 0.008 0.000 0.224 508 D C 0.406 176.812 176.300 0.177 0.000 1.029 508 D CA 0.910 54.989 54.000 0.131 0.000 0.879 508 D CB -0.100 40.766 40.800 0.111 0.000 0.906 508 D HN 0.269 nan 8.370 nan 0.000 0.528 509 S N -0.501 115.329 115.700 0.218 0.000 3.682 509 S HA -0.217 4.257 4.470 0.008 0.000 0.354 509 S C 1.163 175.959 174.600 0.327 0.000 1.034 509 S CA 0.562 58.919 58.200 0.261 0.000 1.084 509 S CB -1.098 62.240 63.200 0.229 0.000 0.903 509 S HN 0.449 nan 8.310 nan 0.000 0.470 510 K N -0.508 120.059 120.400 0.279 0.000 2.425 510 K HA 0.179 4.503 4.320 0.008 0.000 0.201 510 K C 0.049 176.753 176.600 0.174 0.000 1.128 510 K CA 0.211 56.644 56.287 0.243 0.000 1.000 510 K CB 0.337 32.932 32.500 0.159 0.000 0.961 510 K HN 0.443 nan 8.250 nan 0.000 0.555 511 N N 0.522 119.340 118.700 0.196 0.000 2.229 511 N HA 0.319 5.063 4.740 0.008 0.000 0.298 511 N C -1.987 173.579 175.510 0.093 0.000 1.114 511 N CA -0.692 52.396 53.050 0.064 0.000 0.776 511 N CB 2.213 40.665 38.487 -0.058 0.000 1.501 511 N HN -0.132 nan 8.380 nan 0.000 0.474 512 L N 2.322 123.481 121.223 -0.107 0.000 2.298 512 L HA 0.542 4.886 4.340 0.008 0.000 0.284 512 L C -1.716 175.063 176.870 -0.150 0.000 1.013 512 L CA -0.470 54.242 54.840 -0.212 0.000 0.824 512 L CB -0.025 41.837 42.059 -0.329 0.000 1.221 512 L HN 0.489 nan 8.230 nan 0.000 0.418 513 Y N 5.230 125.467 120.300 -0.106 0.000 2.419 513 Y HA 0.674 5.229 4.550 0.008 0.000 0.328 513 Y C -0.265 175.617 175.900 -0.030 0.000 1.162 513 Y CA -0.162 57.879 58.100 -0.098 0.000 1.174 513 Y CB 1.406 39.794 38.460 -0.121 0.000 1.228 513 Y HN 0.638 nan 8.280 nan 0.000 0.473 514 Y N -1.522 118.784 120.300 0.010 0.000 2.788 514 Y HA 0.758 5.312 4.550 0.007 0.000 0.335 514 Y C -2.353 173.466 175.900 -0.134 0.000 1.287 514 Y CA -1.947 56.089 58.100 -0.107 0.000 1.068 514 Y CB 0.813 39.183 38.460 -0.149 0.000 1.340 514 Y HN 0.399 nan 8.280 nan 0.000 0.449 515 L N 1.545 122.641 121.223 -0.212 0.000 2.319 515 L HA 0.871 5.216 4.340 0.008 0.000 0.267 515 L C -0.637 176.056 176.870 -0.295 0.000 1.011 515 L CA -0.922 53.664 54.840 -0.424 0.000 0.818 515 L CB 2.281 43.817 42.059 -0.872 0.000 1.316 515 L HN 0.797 nan 8.230 nan 0.000 0.432 516 S N -0.590 115.104 115.700 -0.009 0.000 2.564 516 S HA 0.443 4.918 4.470 0.008 0.000 0.274 516 S C -1.091 173.639 174.600 0.217 0.000 1.124 516 S CA -0.492 57.830 58.200 0.204 0.000 0.869 516 S CB 1.486 64.762 63.200 0.126 0.000 1.105 516 S HN 0.350 nan 8.310 nan 0.000 0.472 517 Y N 1.305 121.840 120.300 0.391 0.000 2.897 517 Y HA 0.309 4.864 4.550 0.008 0.000 0.372 517 Y C 1.553 177.514 175.900 0.101 0.000 1.034 517 Y CA -0.385 57.854 58.100 0.231 0.000 1.627 517 Y CB -0.224 38.325 38.460 0.147 0.000 1.474 517 Y HN 0.535 nan 8.280 nan 0.000 0.517 518 R N -1.232 119.408 120.500 0.233 0.000 2.223 518 R HA 0.101 4.446 4.340 0.008 0.000 0.198 518 R C 0.809 177.176 176.300 0.112 0.000 0.984 518 R CA 0.302 56.479 56.100 0.128 0.000 1.018 518 R CB 0.268 30.626 30.300 0.096 0.000 0.945 518 R HN 0.021 nan 8.270 nan 0.000 0.479 519 S N 2.292 118.094 115.700 0.169 0.000 4.085 519 S HA 0.147 4.621 4.470 0.008 0.000 0.189 519 S C 0.198 174.849 174.600 0.085 0.000 1.392 519 S CA -0.010 58.270 58.200 0.133 0.000 0.972 519 S CB -0.436 62.852 63.200 0.146 0.000 1.482 519 S HN 0.194 nan 8.310 nan 0.000 0.446 520 L N 2.565 123.786 121.223 -0.004 0.000 2.540 520 L HA 0.178 4.523 4.340 0.008 0.000 0.276 520 L C 0.357 177.322 176.870 0.157 0.000 1.212 520 L CA 0.303 55.103 54.840 -0.066 0.000 0.893 520 L CB 0.046 41.937 42.059 -0.280 0.000 1.138 520 L HN 0.349 nan 8.230 nan 0.000 0.491 521 D N 4.561 125.174 120.400 0.354 0.000 2.614 521 D HA 0.245 4.890 4.640 0.008 0.000 0.203 521 D C -2.771 173.736 176.300 0.346 0.000 1.312 521 D CA -0.917 53.258 54.000 0.291 0.000 0.889 521 D CB 2.307 43.216 40.800 0.181 0.000 1.615 521 D HN 0.100 nan 8.370 nan 0.000 0.567 522 P HA 0.369 nan 4.420 nan 0.000 0.277 522 P C -0.654 176.736 177.300 0.150 0.000 1.240 522 P CA -0.442 62.687 63.100 0.050 0.000 0.798 522 P CB 1.199 32.853 31.700 -0.077 0.000 0.979 523 S N 2.396 118.157 115.700 0.102 0.000 2.503 523 S HA 0.549 5.023 4.470 0.008 0.000 0.301 523 S C -2.492 172.075 174.600 -0.054 0.000 1.087 523 S CA -1.309 56.929 58.200 0.063 0.000 1.042 523 S CB 1.571 64.775 63.200 0.007 0.000 1.043 523 S HN 0.441 nan 8.310 nan 0.000 0.489 524 P HA 0.170 nan 4.420 nan 0.000 0.285 524 P C -1.021 176.000 177.300 -0.464 0.000 1.259 524 P CA -0.414 62.271 63.100 -0.692 0.000 0.794 524 P CB 0.672 32.087 31.700 -0.476 0.000 0.940 525 D N 3.089 123.162 120.400 -0.544 0.000 2.389 525 D HA 0.015 4.660 4.640 0.008 0.000 0.247 525 D C 0.917 177.058 176.300 -0.265 0.000 1.128 525 D CA -0.153 53.647 54.000 -0.334 0.000 0.884 525 D CB 0.855 41.456 40.800 -0.332 0.000 1.194 525 D HN 0.140 nan 8.370 nan 0.000 0.441 526 R N 2.791 123.186 120.500 -0.176 0.000 2.297 526 R HA 0.060 4.404 4.340 0.008 0.000 0.197 526 R C 1.135 177.377 176.300 -0.098 0.000 0.943 526 R CA 0.208 56.234 56.100 -0.123 0.000 1.038 526 R CB 0.078 30.328 30.300 -0.083 0.000 0.957 526 R HN 0.334 nan 8.270 nan 0.000 0.484 527 V N -0.596 119.250 119.914 -0.115 0.000 3.090 527 V HA 0.147 4.272 4.120 0.008 0.000 0.237 527 V C 0.712 176.758 176.094 -0.079 0.000 1.209 527 V CA 0.424 62.677 62.300 -0.078 0.000 1.209 527 V CB 0.821 32.605 31.823 -0.065 0.000 0.971 527 V HN -0.208 nan 8.190 nan 0.000 0.477 528 V N 0.971 120.796 119.914 -0.149 0.000 2.881 528 V HA 0.462 4.586 4.120 0.008 0.000 0.316 528 V C -0.388 175.632 176.094 -0.123 0.000 1.070 528 V CA -0.773 61.454 62.300 -0.122 0.000 0.976 528 V CB 2.259 33.915 31.823 -0.279 0.000 1.038 528 V HN 0.257 nan 8.190 nan 0.000 0.446 529 L N 4.328 125.531 121.223 -0.034 0.000 2.536 529 L HA 0.367 4.711 4.340 0.008 0.000 0.282 529 L C -0.046 176.809 176.870 -0.026 0.000 1.147 529 L CA 1.112 55.943 54.840 -0.015 0.000 0.936 529 L CB -1.363 40.732 42.059 0.060 0.000 1.279 529 L HN 0.860 nan 8.230 nan 0.000 0.461 530 N N 2.961 121.565 118.700 -0.160 0.000 2.961 530 N HA 0.484 5.228 4.740 0.008 0.000 0.245 530 N C -1.771 173.497 175.510 -0.403 0.000 1.404 530 N CA -0.595 52.383 53.050 -0.120 0.000 0.880 530 N CB 1.013 39.404 38.487 -0.161 0.000 1.461 530 N HN 0.224 nan 8.380 nan 0.000 0.510 531 F N 0.390 120.256 119.950 -0.140 0.000 2.626 531 F HA 0.614 5.146 4.527 0.007 0.000 0.311 531 F C 0.023 175.659 175.800 -0.273 0.000 1.088 531 F CA -0.315 57.570 58.000 -0.191 0.000 0.949 531 F CB 2.109 40.986 39.000 -0.205 0.000 1.322 531 F HN 0.482 nan 8.300 nan 0.000 0.461 532 S N 0.445 116.040 115.700 -0.174 0.000 2.565 532 S HA 0.651 5.125 4.470 0.008 0.000 0.269 532 S C -1.642 172.767 174.600 -0.319 0.000 1.153 532 S CA -0.832 57.195 58.200 -0.288 0.000 0.835 532 S CB 0.708 63.825 63.200 -0.139 0.000 1.122 532 S HN 0.359 nan 8.310 nan 0.000 0.462 533 F N 2.506 122.469 119.950 0.021 0.000 2.405 533 F HA 0.413 4.945 4.527 0.007 0.000 0.358 533 F C 1.615 177.408 175.800 -0.011 0.000 1.151 533 F CA -0.406 57.603 58.000 0.016 0.000 1.161 533 F CB 0.835 39.837 39.000 0.004 0.000 1.245 533 F HN 0.656 nan 8.300 nan 0.000 0.545 534 E N 1.854 122.136 120.200 0.137 0.000 2.175 534 E HA 0.048 4.403 4.350 0.008 0.000 0.195 534 E C 0.568 177.221 176.600 0.087 0.000 0.934 534 E CA 0.732 57.173 56.400 0.069 0.000 0.870 534 E CB 0.471 30.186 29.700 0.025 0.000 0.838 534 E HN 0.344 nan 8.360 nan 0.000 0.474 535 V N 0.676 120.656 119.914 0.111 0.000 2.266 535 V HA 0.325 4.449 4.120 0.008 0.000 0.266 535 V C 0.440 176.614 176.094 0.134 0.000 1.036 535 V CA -0.525 61.827 62.300 0.087 0.000 0.828 535 V CB 0.625 32.480 31.823 0.054 0.000 1.081 535 V HN 0.023 nan 8.190 nan 0.000 0.449 536 V N -0.226 119.802 119.914 0.189 0.000 3.252 536 V HA 0.472 4.597 4.120 0.008 0.000 0.320 536 V C 0.589 176.845 176.094 0.270 0.000 1.459 536 V CA 0.533 62.964 62.300 0.219 0.000 1.095 536 V CB 0.176 32.126 31.823 0.212 0.000 0.997 536 V HN 0.620 nan 8.190 nan 0.000 0.469 537 S N 1.708 117.543 115.700 0.224 0.000 2.537 537 S HA 0.709 5.183 4.470 0.008 0.000 0.275 537 S C -0.453 174.286 174.600 0.232 0.000 1.272 537 S CA -0.299 57.997 58.200 0.160 0.000 1.050 537 S CB 1.171 64.391 63.200 0.033 0.000 0.961 537 S HN 0.746 nan 8.310 nan 0.000 0.496 538 K N 4.418 124.962 120.400 0.241 0.000 2.543 538 K HA 0.574 4.898 4.320 0.008 0.000 0.255 538 K C -3.005 173.603 176.600 0.014 0.000 0.934 538 K CA -1.741 54.629 56.287 0.139 0.000 0.810 538 K CB 2.039 34.552 32.500 0.023 0.000 1.315 538 K HN 0.339 nan 8.250 nan 0.000 0.433 539 P HA 0.354 nan 4.420 nan 0.000 0.284 539 P C -1.119 175.892 177.300 -0.481 0.000 1.258 539 P CA -0.317 62.623 63.100 -0.266 0.000 0.824 539 P CB 0.674 32.190 31.700 -0.306 0.000 1.038 540 F N 0.175 119.754 119.950 -0.619 0.000 2.640 540 F HA 0.600 5.131 4.527 0.007 0.000 0.324 540 F C 0.010 175.401 175.800 -0.682 0.000 1.077 540 F CA -0.963 56.636 58.000 -0.667 0.000 0.965 540 F CB 1.974 40.451 39.000 -0.872 0.000 1.351 540 F HN 0.056 nan 8.300 nan 0.000 0.487 541 V N 2.769 122.505 119.914 -0.297 0.000 2.971 541 V HA 0.667 4.791 4.120 0.008 0.000 0.309 541 V C -1.507 174.467 176.094 -0.198 0.000 1.130 541 V CA -0.642 61.395 62.300 -0.438 0.000 0.964 541 V CB 2.241 33.619 31.823 -0.742 0.000 1.029 541 V HN 0.598 nan 8.190 nan 0.000 0.427 542 I N 7.737 128.200 120.570 -0.179 0.000 2.468 542 I HA 0.423 4.597 4.170 0.008 0.000 0.284 542 I C -2.542 173.506 176.117 -0.116 0.000 1.038 542 I CA -1.836 59.417 61.300 -0.079 0.000 1.083 542 I CB 2.619 40.621 38.000 0.003 0.000 1.223 542 I HN 0.469 nan 8.210 nan 0.000 0.443 543 P HA 0.144 nan 4.420 nan 0.000 0.276 543 P C 0.587 177.860 177.300 -0.045 0.000 1.243 543 P CA -0.149 62.915 63.100 -0.060 0.000 0.768 543 P CB 1.239 32.911 31.700 -0.046 0.000 0.856 544 L N 2.822 124.035 121.223 -0.016 0.000 2.465 544 L HA 0.078 4.423 4.340 0.008 0.000 0.224 544 L C 1.105 178.010 176.870 0.057 0.000 1.145 544 L CA 0.832 55.651 54.840 -0.036 0.000 0.834 544 L CB -0.340 41.672 42.059 -0.079 0.000 0.944 544 L HN 0.349 nan 8.230 nan 0.000 0.451 545 I N 0.468 121.072 120.570 0.057 0.000 2.382 545 I HA 0.292 4.466 4.170 0.008 0.000 0.285 545 I C -2.263 173.851 176.117 -0.006 0.000 1.007 545 I CA -2.139 59.182 61.300 0.036 0.000 1.142 545 I CB 1.598 39.604 38.000 0.010 0.000 1.289 545 I HN -0.279 nan 8.210 nan 0.000 0.453 546 P HA 0.056 nan 4.420 nan 0.000 0.265 546 P C 0.932 178.217 177.300 -0.025 0.000 1.187 546 P CA 0.796 63.878 63.100 -0.030 0.000 0.766 546 P CB 0.665 32.345 31.700 -0.034 0.000 0.820 547 G N 1.306 110.090 108.800 -0.026 0.000 2.284 547 G HA2 -0.261 3.703 3.960 0.008 0.000 0.230 547 G HA3 -0.261 3.703 3.960 0.008 0.000 0.230 547 G C 0.562 175.452 174.900 -0.018 0.000 1.021 547 G CA 0.237 45.324 45.100 -0.021 0.000 0.619 547 G HN 0.780 nan 8.290 nan 0.000 0.510 548 S N 3.305 118.994 115.700 -0.018 0.000 2.548 548 S HA 0.593 5.067 4.470 0.008 0.000 0.277 548 S C -1.352 173.237 174.600 -0.018 0.000 1.315 548 S CA -0.330 57.861 58.200 -0.014 0.000 1.050 548 S CB 1.228 64.423 63.200 -0.009 0.000 0.918 548 S HN 0.487 nan 8.310 nan 0.000 0.497 549 P HA 0.174 nan 4.420 nan 0.000 0.278 549 P C -0.816 176.468 177.300 -0.026 0.000 1.266 549 P CA -0.828 62.261 63.100 -0.019 0.000 0.807 549 P CB 0.404 32.098 31.700 -0.011 0.000 1.094 550 N N 2.192 120.870 118.700 -0.036 0.000 2.417 550 N HA -0.036 4.708 4.740 0.008 0.000 0.272 550 N C -1.133 174.363 175.510 -0.023 0.000 1.304 550 N CA -1.230 51.786 53.050 -0.056 0.000 0.906 550 N CB -0.046 38.406 38.487 -0.059 0.000 1.135 550 N HN 0.218 nan 8.380 nan 0.000 0.483 551 P HA -0.163 nan 4.420 nan 0.000 0.218 551 P C 0.924 178.264 177.300 0.067 0.000 1.146 551 P CA 1.462 64.588 63.100 0.043 0.000 0.813 551 P CB -0.143 31.610 31.700 0.088 0.000 0.778 552 T N -3.550 111.046 114.554 0.070 0.000 3.118 552 T HA 0.045 4.400 4.350 0.008 0.000 0.260 552 T C 1.684 176.425 174.700 0.068 0.000 1.139 552 T CA 0.548 62.708 62.100 0.098 0.000 1.085 552 T CB -0.549 68.377 68.868 0.096 0.000 0.934 552 T HN 0.156 nan 8.240 nan 0.000 0.518 553 K N 0.732 121.151 120.400 0.032 0.000 2.366 553 K HA 0.282 4.607 4.320 0.008 0.000 0.198 553 K C 0.497 177.112 176.600 0.025 0.000 1.044 553 K CA 0.185 56.485 56.287 0.021 0.000 0.973 553 K CB -0.322 32.180 32.500 0.003 0.000 0.767 553 K HN 0.353 nan 8.250 nan 0.000 0.475 554 L N 0.780 122.021 121.223 0.030 0.000 3.608 554 L HA -0.185 4.159 4.340 0.008 0.000 0.422 554 L C -0.534 176.345 176.870 0.015 0.000 1.260 554 L CA -0.365 54.490 54.840 0.024 0.000 0.889 554 L CB -2.018 40.055 42.059 0.023 0.000 1.821 554 L HN -0.109 nan 8.230 nan 0.000 0.884 555 V N 0.631 120.553 119.914 0.012 0.000 2.479 555 V HA 0.137 4.262 4.120 0.008 0.000 0.281 555 V C -1.229 174.869 176.094 0.007 0.000 1.031 555 V CA -0.905 61.400 62.300 0.007 0.000 1.038 555 V CB 0.453 32.278 31.823 0.004 0.000 0.981 555 V HN 0.124 nan 8.190 nan 0.000 0.478 556 P HA -0.004 nan 4.420 nan 0.000 0.261 556 P C 0.770 178.072 177.300 0.004 0.000 1.173 556 P CA -0.050 63.053 63.100 0.005 0.000 0.760 556 P CB 0.423 32.125 31.700 0.003 0.000 0.783 557 R N 3.652 124.156 120.500 0.005 0.000 2.117 557 R HA -0.185 4.159 4.340 0.008 0.000 0.243 557 R C 1.636 177.937 176.300 0.002 0.000 1.143 557 R CA 2.532 58.634 56.100 0.004 0.000 0.968 557 R CB -1.412 28.891 30.300 0.006 0.000 0.863 557 R HN 0.447 nan 8.270 nan 0.000 0.444 558 S N -0.748 114.953 115.700 0.002 0.000 2.555 558 S HA -0.016 4.458 4.470 0.008 0.000 0.230 558 S C 1.478 176.078 174.600 -0.000 0.000 0.978 558 S CA 0.952 59.152 58.200 0.000 0.000 0.934 558 S CB -0.147 63.053 63.200 0.000 0.000 0.766 558 S HN 0.463 nan 8.310 nan 0.000 0.533 559 M N 1.525 121.125 119.600 -0.000 0.000 2.484 559 M HA 0.245 4.729 4.480 0.008 0.000 0.307 559 M C -0.713 175.586 176.300 -0.002 0.000 1.149 559 M CA 0.061 55.360 55.300 -0.001 0.000 0.972 559 M CB 0.890 33.490 32.600 -0.000 0.000 1.400 559 M HN 0.085 nan 8.290 nan 0.000 0.508 560 T N 0.402 114.955 114.554 -0.002 0.000 2.881 560 T HA 0.291 4.646 4.350 0.008 0.000 0.290 560 T C -0.001 174.696 174.700 -0.005 0.000 1.000 560 T CA -0.752 61.346 62.100 -0.004 0.000 0.978 560 T CB 1.697 70.563 68.868 -0.002 0.000 0.997 560 T HN 0.221 nan 8.240 nan 0.000 0.443 561 S N 2.814 118.509 115.700 -0.007 0.000 2.416 561 S HA 0.373 4.847 4.470 0.008 0.000 0.302 561 S C 0.310 174.903 174.600 -0.011 0.000 1.120 561 S CA -0.802 57.393 58.200 -0.009 0.000 1.067 561 S CB 0.324 63.518 63.200 -0.009 0.000 1.057 561 S HN 0.555 nan 8.310 nan 0.000 0.518 562 E N 2.531 122.724 120.200 -0.011 0.000 3.976 562 E HA 0.662 5.016 4.350 0.008 0.000 0.377 562 E C 1.114 177.703 176.600 -0.020 0.000 1.526 562 E CA 0.790 57.181 56.400 -0.014 0.000 2.100 562 E CB -0.324 29.369 29.700 -0.012 0.000 1.275 562 E HN 1.199 nan 8.360 nan 0.000 0.764 563 A N -1.671 121.134 122.820 -0.026 0.000 6.058 563 A HA 0.322 4.646 4.320 0.008 0.000 0.237 563 A C 0.629 178.188 177.584 -0.042 0.000 2.308 563 A CA 0.568 52.584 52.037 -0.035 0.000 0.701 563 A CB -2.013 16.970 19.000 -0.029 0.000 0.931 563 A HN 1.825 nan 8.150 nan 0.000 0.347 564 G N -1.468 107.306 108.800 -0.044 0.000 2.788 564 G HA2 0.479 4.443 3.960 0.008 0.000 0.686 564 G HA3 0.479 4.443 3.960 0.008 0.000 0.686 564 G C -0.608 174.250 174.900 -0.070 0.000 1.147 564 G CA 1.095 46.169 45.100 -0.044 0.000 0.755 564 G HN 2.050 nan 8.290 nan 0.000 0.634 565 E N 0.595 120.762 120.200 -0.054 0.000 2.250 565 E HA 0.560 4.915 4.350 0.008 0.000 0.265 565 E C -0.048 176.549 176.600 -0.005 0.000 1.033 565 E CA -1.013 55.344 56.400 -0.070 0.000 0.888 565 E CB 0.911 30.596 29.700 -0.025 0.000 1.151 565 E HN 0.523 nan 8.360 nan 0.000 0.412 566 Y N 1.052 121.350 120.300 -0.003 0.000 2.702 566 Y HA -0.006 4.548 4.550 0.007 0.000 0.336 566 Y C 0.327 176.188 175.900 -0.065 0.000 1.235 566 Y CA 0.302 58.391 58.100 -0.017 0.000 1.492 566 Y CB 0.606 39.108 38.460 0.071 0.000 1.308 566 Y HN 0.447 nan 8.280 nan 0.000 0.589 567 D N 3.957 124.392 120.400 0.057 0.000 2.318 567 D HA 0.117 4.761 4.640 0.008 0.000 0.233 567 D C -0.398 175.780 176.300 -0.203 0.000 1.348 567 D CA -0.262 53.695 54.000 -0.073 0.000 0.983 567 D CB 0.470 41.250 40.800 -0.033 0.000 1.416 567 D HN 0.517 nan 8.370 nan 0.000 0.558 568 L N 1.877 122.824 121.223 -0.460 0.000 2.599 568 L HA 0.186 4.530 4.340 0.008 0.000 0.230 568 L C 0.623 177.313 176.870 -0.301 0.000 1.141 568 L CA 0.163 54.642 54.840 -0.602 0.000 0.877 568 L CB -0.545 40.782 42.059 -1.221 0.000 1.009 568 L HN 0.166 nan 8.230 nan 0.000 0.447 569 N N 0.972 119.605 118.700 -0.112 0.000 2.513 569 N HA -0.023 4.721 4.740 0.008 0.000 0.268 569 N C -0.034 175.454 175.510 -0.038 0.000 1.180 569 N CA -0.243 52.860 53.050 0.090 0.000 0.948 569 N CB 0.360 38.903 38.487 0.093 0.000 1.083 569 N HN 0.093 nan 8.380 nan 0.000 0.455 570 D N 1.369 121.729 120.400 -0.067 0.000 2.792 570 D HA -0.234 4.411 4.640 0.008 0.000 0.231 570 D C 1.244 177.279 176.300 -0.442 0.000 1.160 570 D CA 0.643 54.396 54.000 -0.412 0.000 0.697 570 D CB -0.793 39.805 40.800 -0.337 0.000 1.070 570 D HN 0.682 nan 8.370 nan 0.000 0.426 571 M N -1.887 117.585 119.600 -0.214 0.000 2.374 571 M HA -0.176 4.308 4.480 0.008 0.000 0.264 571 M C 2.203 178.428 176.300 -0.126 0.000 1.067 571 M CA 1.160 56.370 55.300 -0.150 0.000 1.103 571 M CB -0.826 31.718 32.600 -0.094 0.000 1.402 571 M HN 0.204 nan 8.290 nan 0.000 0.444 572 Y N 0.896 121.176 120.300 -0.033 0.000 2.274 572 Y HA 0.067 4.621 4.550 0.007 0.000 0.290 572 Y C 1.819 177.711 175.900 -0.013 0.000 1.145 572 Y CA 0.983 59.062 58.100 -0.035 0.000 1.203 572 Y CB -1.026 37.404 38.460 -0.051 0.000 0.984 572 Y HN 0.165 nan 8.280 nan 0.000 0.533 573 K N 0.542 120.690 120.400 -0.420 0.000 2.283 573 K HA -0.025 4.300 4.320 0.008 0.000 0.202 573 K C 1.866 178.409 176.600 -0.095 0.000 1.048 573 K CA 1.116 57.274 56.287 -0.215 0.000 0.948 573 K CB -0.125 32.188 32.500 -0.313 0.000 0.742 573 K HN 0.392 nan 8.250 nan 0.000 0.458 574 R N 1.109 121.550 120.500 -0.099 0.000 2.297 574 R HA 0.032 4.377 4.340 0.008 0.000 0.197 574 R C 0.624 176.923 176.300 -0.001 0.000 0.943 574 R CA 0.101 56.170 56.100 -0.050 0.000 1.038 574 R CB 0.149 30.409 30.300 -0.066 0.000 0.957 574 R HN 0.115 nan 8.270 nan 0.000 0.484 575 S N 0.638 116.363 115.700 0.042 0.000 2.558 575 S HA 0.051 4.525 4.470 0.008 0.000 0.291 575 S C 0.122 174.801 174.600 0.131 0.000 1.306 575 S CA -0.380 57.889 58.200 0.115 0.000 1.056 575 S CB 1.402 64.706 63.200 0.173 0.000 0.836 575 S HN 0.090 nan 8.310 nan 0.000 0.504 576 S N 2.835 118.619 115.700 0.140 0.000 2.536 576 S HA 0.672 5.146 4.470 0.008 0.000 0.271 576 S C -3.105 171.486 174.600 -0.014 0.000 1.134 576 S CA -1.447 56.799 58.200 0.077 0.000 0.897 576 S CB 1.809 65.000 63.200 -0.015 0.000 1.094 576 S HN 0.728 nan 8.310 nan 0.000 0.473 577 P HA 0.387 nan 4.420 nan 0.000 0.281 577 P C -0.686 176.367 177.300 -0.413 0.000 1.249 577 P CA -0.649 62.048 63.100 -0.671 0.000 0.810 577 P CB 0.824 32.060 31.700 -0.773 0.000 1.008 578 I N 0.921 121.216 120.570 -0.459 0.000 2.428 578 I HA 0.267 4.442 4.170 0.008 0.000 0.296 578 I C 0.570 176.491 176.117 -0.326 0.000 0.985 578 I CA -0.725 60.377 61.300 -0.330 0.000 1.260 578 I CB 0.692 38.485 38.000 -0.344 0.000 1.389 578 I HN 0.163 nan 8.210 nan 0.000 0.484 579 N N 6.152 124.732 118.700 -0.200 0.000 3.117 579 N HA 0.068 4.812 4.740 0.008 0.000 0.323 579 N C -1.018 174.451 175.510 -0.068 0.000 1.245 579 N CA 0.202 53.197 53.050 -0.092 0.000 1.191 579 N CB -0.207 38.302 38.487 0.035 0.000 1.451 579 N HN 0.340 nan 8.380 nan 0.000 0.555 580 V N 0.724 120.523 119.914 -0.192 0.000 2.513 580 V HA 0.158 4.283 4.120 0.008 0.000 0.299 580 V C 0.253 176.342 176.094 -0.008 0.000 1.035 580 V CA -1.130 61.093 62.300 -0.127 0.000 0.889 580 V CB 2.176 33.791 31.823 -0.346 0.000 0.988 580 V HN 0.173 nan 8.190 nan 0.000 0.440 581 D N 4.549 124.999 120.400 0.083 0.000 2.449 581 D HA 0.160 4.804 4.640 0.008 0.000 0.236 581 D C -2.281 174.138 176.300 0.199 0.000 1.149 581 D CA -0.590 53.480 54.000 0.118 0.000 0.878 581 D CB 0.721 41.597 40.800 0.126 0.000 1.198 581 D HN 0.323 nan 8.370 nan 0.000 0.446 582 P HA 0.318 nan 4.420 nan 0.000 0.272 582 P C -0.002 177.343 177.300 0.074 0.000 1.223 582 P CA -0.124 63.072 63.100 0.159 0.000 0.784 582 P CB 1.024 32.791 31.700 0.112 0.000 0.923 583 G N 0.380 109.071 108.800 -0.181 0.000 2.604 583 G HA2 0.374 4.338 3.960 0.008 0.000 0.242 583 G HA3 0.374 4.338 3.960 0.008 0.000 0.242 583 G C -1.705 172.878 174.900 -0.527 0.000 1.208 583 G CA -0.192 44.633 45.100 -0.459 0.000 0.912 583 G HN 0.416 nan 8.290 nan 0.000 0.502 584 D N 0.020 120.063 120.400 -0.595 0.000 2.408 584 D HA 0.495 5.139 4.640 0.008 0.000 0.261 584 D C -1.313 174.881 176.300 -0.177 0.000 1.190 584 D CA -0.408 53.488 54.000 -0.173 0.000 0.910 584 D CB 0.165 40.998 40.800 0.056 0.000 1.097 584 D HN 0.273 nan 8.370 nan 0.000 0.522 585 Y N 1.500 121.936 120.300 0.226 0.000 2.387 585 Y HA 0.489 5.044 4.550 0.008 0.000 0.330 585 Y C 1.671 177.754 175.900 0.305 0.000 1.133 585 Y CA -0.965 57.261 58.100 0.210 0.000 1.152 585 Y CB 1.585 40.103 38.460 0.096 0.000 1.215 585 Y HN 0.070 nan 8.280 nan 0.000 0.466 586 R N 1.244 122.042 120.500 0.497 0.000 2.487 586 R HA 0.312 4.657 4.340 0.008 0.000 0.272 586 R C -0.654 175.808 176.300 0.271 0.000 0.928 586 R CA 0.137 56.491 56.100 0.424 0.000 1.077 586 R CB 1.020 31.515 30.300 0.326 0.000 1.265 586 R HN 0.799 nan 8.270 nan 0.000 0.537 587 M N 0.504 120.247 119.600 0.239 0.000 2.414 587 M HA 0.455 4.940 4.480 0.008 0.000 0.287 587 M C -2.027 174.318 176.300 0.074 0.000 1.181 587 M CA -0.676 54.698 55.300 0.123 0.000 0.933 587 M CB 2.899 35.562 32.600 0.105 0.000 1.732 587 M HN 0.000 nan 8.290 nan 0.000 0.486 588 I N 4.893 125.463 120.570 0.000 0.000 2.499 588 I HA 0.546 4.721 4.170 0.008 0.000 0.288 588 I C -1.833 174.241 176.117 -0.072 0.000 1.048 588 I CA -0.687 60.575 61.300 -0.064 0.000 1.062 588 I CB 1.576 39.508 38.000 -0.113 0.000 1.238 588 I HN 0.737 nan 8.210 nan 0.000 0.426 589 I N 9.758 130.273 120.570 -0.091 0.000 2.437 589 I HA 0.355 4.529 4.170 0.008 0.000 0.279 589 I C -2.361 173.649 176.117 -0.178 0.000 1.028 589 I CA -1.798 59.448 61.300 -0.091 0.000 1.142 589 I CB 1.729 39.719 38.000 -0.017 0.000 1.266 589 I HN 0.339 nan 8.210 nan 0.000 0.461 590 P HA 0.264 nan 4.420 nan 0.000 0.276 590 P C -0.814 176.372 177.300 -0.190 0.000 1.243 590 P CA 0.085 62.913 63.100 -0.454 0.000 0.768 590 P CB 1.280 32.401 31.700 -0.965 0.000 0.856 591 L N 1.888 123.039 121.223 -0.119 0.000 2.271 591 L HA 0.346 4.690 4.340 0.008 0.000 0.265 591 L C 2.229 179.093 176.870 -0.011 0.000 1.013 591 L CA -0.843 53.974 54.840 -0.037 0.000 0.820 591 L CB 0.961 43.013 42.059 -0.012 0.000 1.352 591 L HN 0.331 nan 8.230 nan 0.000 0.443 592 E N 0.576 120.784 120.200 0.013 0.000 2.048 592 E HA -0.252 4.102 4.350 0.008 0.000 0.202 592 E C 0.976 177.593 176.600 0.028 0.000 1.021 592 E CA 2.290 58.705 56.400 0.026 0.000 0.825 592 E CB 0.144 29.860 29.700 0.027 0.000 0.756 592 E HN 0.649 nan 8.360 nan 0.000 0.454 593 S N -0.967 114.745 115.700 0.021 0.000 2.855 593 S HA 0.257 4.732 4.470 0.008 0.000 0.249 593 S C -0.274 174.337 174.600 0.018 0.000 1.033 593 S CA -0.141 58.072 58.200 0.021 0.000 1.038 593 S CB 0.762 63.969 63.200 0.012 0.000 0.960 593 S HN 0.256 nan 8.310 nan 0.000 0.548 594 S N 0.551 116.265 115.700 0.023 0.000 2.615 594 S HA 0.772 5.247 4.470 0.008 0.000 0.269 594 S C -1.460 173.157 174.600 0.029 0.000 1.161 594 S CA -1.007 57.216 58.200 0.038 0.000 0.817 594 S CB 0.793 64.003 63.200 0.017 0.000 1.131 594 S HN 0.298 nan 8.310 nan 0.000 0.467 595 I N 1.711 122.324 120.570 0.071 0.000 2.478 595 I HA 0.347 4.521 4.170 0.008 0.000 0.287 595 I C -1.047 175.072 176.117 0.002 0.000 1.042 595 I CA -0.872 60.416 61.300 -0.019 0.000 1.067 595 I CB 1.727 39.680 38.000 -0.078 0.000 1.233 595 I HN 0.469 nan 8.210 nan 0.000 0.431 596 L N 6.805 128.015 121.223 -0.021 0.000 2.375 596 L HA 0.572 4.916 4.340 0.008 0.000 0.271 596 L C -0.160 176.702 176.870 -0.013 0.000 1.107 596 L CA -0.264 54.584 54.840 0.014 0.000 0.806 596 L CB 1.306 43.394 42.059 0.048 0.000 1.146 596 L HN 0.495 nan 8.230 nan 0.000 0.447 597 I N 2.542 123.115 120.570 0.006 0.000 2.607 597 I HA 0.196 4.371 4.170 0.008 0.000 0.290 597 I C -1.132 175.058 176.117 0.122 0.000 1.129 597 I CA -0.731 60.566 61.300 -0.004 0.000 1.042 597 I CB 2.470 40.340 38.000 -0.218 0.000 1.242 597 I HN 0.373 nan 8.210 nan 0.000 0.421 598 Y N 5.451 125.810 120.300 0.098 0.000 2.404 598 Y HA 0.385 4.940 4.550 0.007 0.000 0.344 598 Y C 0.352 176.403 175.900 0.252 0.000 0.995 598 Y CA 0.452 58.645 58.100 0.155 0.000 1.201 598 Y CB 1.072 39.620 38.460 0.147 0.000 1.151 598 Y HN 0.557 nan 8.280 nan 0.000 0.517 599 S N 4.653 120.370 115.700 0.028 0.000 2.501 599 S HA 0.731 5.206 4.470 0.008 0.000 0.301 599 S C -1.575 173.034 174.600 0.014 0.000 1.096 599 S CA -0.646 57.661 58.200 0.179 0.000 1.063 599 S CB 1.040 64.379 63.200 0.231 0.000 1.042 599 S HN 0.449 nan 8.310 nan 0.000 0.494 600 V N 6.389 126.369 119.914 0.109 0.000 2.349 600 V HA 0.412 4.536 4.120 0.008 0.000 0.284 600 V C -2.291 173.869 176.094 0.109 0.000 1.014 600 V CA -1.745 60.623 62.300 0.114 0.000 0.826 600 V CB 1.206 33.163 31.823 0.222 0.000 1.009 600 V HN 0.762 nan 8.190 nan 0.000 0.431 601 P HA 0.091 nan 4.420 nan 0.000 0.268 601 P C -0.185 177.230 177.300 0.193 0.000 1.208 601 P CA -0.045 63.112 63.100 0.096 0.000 0.777 601 P CB 0.496 32.234 31.700 0.063 0.000 0.875 602 V N 4.466 124.457 119.914 0.127 0.000 2.655 602 V HA 0.129 4.253 4.120 0.008 0.000 0.300 602 V C 0.689 176.874 176.094 0.152 0.000 1.044 602 V CA 0.731 63.091 62.300 0.100 0.000 1.095 602 V CB -0.632 31.207 31.823 0.027 0.000 0.952 602 V HN 0.756 nan 8.190 nan 0.000 0.485 603 H N 2.262 121.350 119.070 0.030 0.000 2.990 603 H HA 0.595 5.155 4.556 0.008 0.000 0.343 603 H C -0.122 175.233 175.328 0.045 0.000 1.270 603 H CA -0.618 55.452 56.048 0.037 0.000 1.118 603 H CB 1.684 31.475 29.762 0.048 0.000 1.861 603 H HN 0.682 nan 8.280 nan 0.000 0.544 604 G N -0.131 108.731 108.800 0.103 0.000 2.476 604 G HA2 0.194 4.158 3.960 0.008 0.000 0.269 604 G HA3 0.194 4.158 3.960 0.008 0.000 0.269 604 G C 0.332 175.323 174.900 0.152 0.000 1.195 604 G CA -0.383 44.761 45.100 0.074 0.000 0.843 604 G HN 0.630 nan 8.290 nan 0.000 0.545 605 E N 1.278 121.547 120.200 0.114 0.000 2.452 605 E HA -0.006 4.349 4.350 0.008 0.000 0.197 605 E C 1.672 178.408 176.600 0.226 0.000 1.022 605 E CA -0.306 56.186 56.400 0.153 0.000 0.890 605 E CB 0.046 29.782 29.700 0.061 0.000 0.918 605 E HN 0.553 nan 8.360 nan 0.000 0.496 606 F N 2.526 122.564 119.950 0.146 0.000 2.045 606 F HA -0.347 4.184 4.527 0.007 0.000 0.297 606 F C 2.257 178.239 175.800 0.303 0.000 1.114 606 F CA 2.178 60.327 58.000 0.249 0.000 1.207 606 F CB -0.371 38.719 39.000 0.150 0.000 0.964 606 F HN 0.038 nan 8.300 nan 0.000 0.486 607 A N -0.081 123.034 122.820 0.492 0.000 1.902 607 A HA -0.060 4.265 4.320 0.008 0.000 0.217 607 A C 2.357 180.058 177.584 0.194 0.000 1.181 607 A CA 1.974 54.216 52.037 0.342 0.000 0.623 607 A CB -1.584 17.569 19.000 0.255 0.000 0.818 607 A HN 0.550 nan 8.150 nan 0.000 0.443 608 A N -1.965 120.962 122.820 0.178 0.000 1.930 608 A HA -0.044 4.280 4.320 0.008 0.000 0.217 608 A C 2.126 179.737 177.584 0.046 0.000 1.175 608 A CA 1.530 53.636 52.037 0.113 0.000 0.627 608 A CB -0.684 18.404 19.000 0.147 0.000 0.815 608 A HN 0.680 nan 8.150 nan 0.000 0.443 609 Y N -1.329 118.900 120.300 -0.119 0.000 2.220 609 Y HA -0.172 4.383 4.550 0.008 0.000 0.291 609 Y C 1.944 177.553 175.900 -0.485 0.000 1.129 609 Y CA 2.038 59.935 58.100 -0.337 0.000 1.161 609 Y CB -0.129 38.032 38.460 -0.497 0.000 0.997 609 Y HN 0.384 nan 8.280 nan 0.000 0.522 610 Y N -1.209 119.017 120.300 -0.123 0.000 2.522 610 Y HA 0.092 4.646 4.550 0.007 0.000 0.277 610 Y C 1.609 177.444 175.900 -0.108 0.000 1.104 610 Y CA 0.444 58.427 58.100 -0.195 0.000 1.260 610 Y CB 0.160 38.429 38.460 -0.319 0.000 1.151 610 Y HN 0.021 nan 8.280 nan 0.000 0.539 611 Q N -0.339 119.525 119.800 0.106 0.000 2.188 611 Q HA 0.265 4.609 4.340 0.008 0.000 0.212 611 Q C 1.293 177.318 176.000 0.042 0.000 0.846 611 Q CA 0.360 56.213 55.803 0.082 0.000 0.989 611 Q CB 1.006 29.819 28.738 0.124 0.000 1.114 611 Q HN 0.495 nan 8.270 nan 0.000 0.488 612 G N 1.328 110.132 108.800 0.007 0.000 2.200 612 G HA2 -0.384 3.580 3.960 0.008 0.000 0.267 612 G HA3 -0.384 3.580 3.960 0.008 0.000 0.267 612 G C 0.403 175.320 174.900 0.030 0.000 0.993 612 G CA 0.207 45.307 45.100 0.001 0.000 0.701 612 G HN 0.600 nan 8.290 nan 0.000 0.524 613 A N 1.241 124.093 122.820 0.054 0.000 2.548 613 A HA 0.517 4.841 4.320 0.008 0.000 0.247 613 A C -0.473 177.143 177.584 0.054 0.000 1.067 613 A CA 0.079 52.153 52.037 0.061 0.000 0.757 613 A CB 0.219 19.270 19.000 0.085 0.000 0.996 613 A HN 0.421 nan 8.150 nan 0.000 0.504 614 P HA 0.097 nan 4.420 nan 0.000 0.272 614 P C -0.382 176.933 177.300 0.026 0.000 1.223 614 P CA -0.277 62.852 63.100 0.048 0.000 0.784 614 P CB 0.661 32.396 31.700 0.058 0.000 0.923 615 E N 1.683 121.901 120.200 0.031 0.000 2.223 615 E HA 0.090 4.445 4.350 0.008 0.000 0.282 615 E C -0.318 176.276 176.600 -0.011 0.000 1.046 615 E CA -0.450 55.928 56.400 -0.037 0.000 0.857 615 E CB 0.375 30.104 29.700 0.048 0.000 1.055 615 E HN 0.230 nan 8.360 nan 0.000 0.409 616 K N 2.595 122.930 120.400 -0.109 0.000 2.234 616 K HA 0.394 4.719 4.320 0.008 0.000 0.282 616 K C -0.041 176.545 176.600 -0.023 0.000 1.039 616 K CA -0.403 55.860 56.287 -0.040 0.000 0.928 616 K CB 1.654 34.113 32.500 -0.069 0.000 1.039 616 K HN 0.547 nan 8.250 nan 0.000 0.470 617 G N 0.631 109.430 108.800 -0.003 0.000 2.730 617 G HA2 0.580 4.544 3.960 0.008 0.000 0.289 617 G HA3 0.580 4.544 3.960 0.008 0.000 0.289 617 G C -1.635 173.072 174.900 -0.322 0.000 1.341 617 G CA -0.529 44.451 45.100 -0.199 0.000 0.932 617 G HN 0.404 nan 8.290 nan 0.000 0.481 618 V N 0.188 119.841 119.914 -0.434 0.000 2.789 618 V HA 0.714 4.839 4.120 0.008 0.000 0.311 618 V C -1.292 174.613 176.094 -0.315 0.000 1.073 618 V CA -0.972 61.160 62.300 -0.279 0.000 0.921 618 V CB 1.795 33.540 31.823 -0.130 0.000 1.009 618 V HN 0.769 nan 8.190 nan 0.000 0.426 619 L N 7.149 128.275 121.223 -0.161 0.000 2.260 619 L HA 0.585 4.930 4.340 0.008 0.000 0.289 619 L C -0.667 176.198 176.870 -0.007 0.000 1.057 619 L CA 0.378 55.194 54.840 -0.040 0.000 0.811 619 L CB 0.610 42.718 42.059 0.082 0.000 1.184 619 L HN 0.653 nan 8.230 nan 0.000 0.429 620 L N 4.726 125.958 121.223 0.014 0.000 2.334 620 L HA 0.572 4.917 4.340 0.008 0.000 0.272 620 L C -0.200 176.691 176.870 0.035 0.000 1.020 620 L CA -0.810 54.044 54.840 0.024 0.000 0.812 620 L CB 1.600 43.681 42.059 0.036 0.000 1.264 620 L HN 0.545 nan 8.230 nan 0.000 0.439 621 K N 1.660 122.083 120.400 0.037 0.000 2.358 621 K HA 0.304 4.628 4.320 0.008 0.000 0.260 621 K C -1.767 174.873 176.600 0.065 0.000 0.956 621 K CA -0.581 55.733 56.287 0.045 0.000 0.834 621 K CB 1.361 33.875 32.500 0.024 0.000 1.102 621 K HN 0.473 nan 8.250 nan 0.000 0.431 622 Y N 4.381 124.649 120.300 -0.054 0.000 2.369 622 Y HA 0.176 4.730 4.550 0.007 0.000 0.337 622 Y C -0.618 175.255 175.900 -0.044 0.000 0.961 622 Y CA -0.807 57.259 58.100 -0.057 0.000 1.186 622 Y CB 0.935 39.342 38.460 -0.088 0.000 1.139 622 Y HN 0.597 nan 8.280 nan 0.000 0.494 623 D N 6.354 126.506 120.400 -0.414 0.000 2.338 623 D HA 0.016 4.661 4.640 0.008 0.000 0.255 623 D C 1.376 177.382 176.300 -0.491 0.000 1.237 623 D CA 0.158 53.972 54.000 -0.310 0.000 0.883 623 D CB 1.383 42.050 40.800 -0.222 0.000 1.087 623 D HN 0.683 nan 8.370 nan 0.000 0.485 624 V N 3.387 123.195 119.914 -0.176 0.000 2.392 624 V HA -0.194 3.930 4.120 0.008 0.000 0.249 624 V C 2.244 178.296 176.094 -0.069 0.000 1.059 624 V CA 1.003 63.299 62.300 -0.007 0.000 1.051 624 V CB -0.523 31.379 31.823 0.132 0.000 0.658 624 V HN 0.360 nan 8.190 nan 0.000 0.455 625 K N 1.315 121.668 120.400 -0.078 0.000 2.032 625 K HA -0.131 4.194 4.320 0.008 0.000 0.209 625 K C 2.224 178.773 176.600 -0.084 0.000 1.048 625 K CA 2.421 58.673 56.287 -0.059 0.000 0.927 625 K CB -0.727 31.745 32.500 -0.047 0.000 0.712 625 K HN 0.829 nan 8.250 nan 0.000 0.441 626 T N -3.074 111.397 114.554 -0.139 0.000 3.054 626 T HA 0.239 4.594 4.350 0.008 0.000 0.255 626 T C 0.422 175.009 174.700 -0.187 0.000 1.035 626 T CA -0.266 61.756 62.100 -0.130 0.000 0.941 626 T CB 0.209 69.012 68.868 -0.109 0.000 1.026 626 T HN 0.251 nan 8.240 nan 0.000 0.533 627 R N 0.362 120.653 120.500 -0.348 0.000 3.946 627 R HA -0.139 4.205 4.340 0.008 0.000 0.329 627 R C 0.057 176.120 176.300 -0.394 0.000 1.209 627 R CA 1.000 56.807 56.100 -0.488 0.000 0.909 627 R CB -1.569 28.671 30.300 -0.099 0.000 1.355 627 R HN 0.536 nan 8.270 nan 0.000 0.539 628 K N 1.606 121.801 120.400 -0.342 0.000 2.276 628 K HA 0.294 4.618 4.320 0.008 0.000 0.283 628 K C -0.374 176.118 176.600 -0.180 0.000 1.044 628 K CA -0.198 55.975 56.287 -0.190 0.000 0.944 628 K CB 1.099 33.520 32.500 -0.131 0.000 1.012 628 K HN -0.078 nan 8.250 nan 0.000 0.472 629 V N 4.358 124.233 119.914 -0.065 0.000 2.398 629 V HA 0.281 4.405 4.120 0.008 0.000 0.286 629 V C 0.049 176.142 176.094 -0.002 0.000 1.026 629 V CA -0.576 61.723 62.300 -0.001 0.000 0.868 629 V CB 1.351 33.219 31.823 0.076 0.000 0.982 629 V HN 1.029 nan 8.190 nan 0.000 0.443 630 T N 0.927 115.479 114.554 -0.003 0.000 2.916 630 T HA 0.619 4.973 4.350 0.008 0.000 0.292 630 T C -0.660 174.039 174.700 -0.001 0.000 1.064 630 T CA -0.822 61.274 62.100 -0.007 0.000 1.011 630 T CB 2.249 71.106 68.868 -0.019 0.000 1.152 630 T HN 0.594 nan 8.240 nan 0.000 0.510 631 E N 0.359 120.551 120.200 -0.012 0.000 2.200 631 E HA 0.448 4.803 4.350 0.008 0.000 0.283 631 E C 0.092 176.671 176.600 -0.035 0.000 1.015 631 E CA -0.655 55.732 56.400 -0.021 0.000 0.819 631 E CB 1.265 30.947 29.700 -0.030 0.000 1.081 631 E HN 0.496 nan 8.360 nan 0.000 0.397 632 V N 3.774 123.667 119.914 -0.034 0.000 2.795 632 V HA 0.139 4.264 4.120 0.008 0.000 0.243 632 V C 0.276 176.296 176.094 -0.123 0.000 1.069 632 V CA 0.643 62.913 62.300 -0.050 0.000 1.089 632 V CB 0.225 32.056 31.823 0.013 0.000 0.756 632 V HN 0.523 nan 8.190 nan 0.000 0.471 633 K N 0.777 121.113 120.400 -0.106 0.000 2.578 633 K HA 0.443 4.768 4.320 0.008 0.000 0.269 633 K C -1.357 175.177 176.600 -0.111 0.000 0.941 633 K CA -0.428 55.767 56.287 -0.155 0.000 0.847 633 K CB 1.762 34.152 32.500 -0.184 0.000 1.397 633 K HN 0.301 nan 8.250 nan 0.000 0.422 634 N N 0.545 119.174 118.700 -0.119 0.000 3.038 634 N HA 0.443 5.188 4.740 0.008 0.000 0.307 634 N C -1.096 174.361 175.510 -0.088 0.000 1.441 634 N CA -0.586 52.406 53.050 -0.098 0.000 0.772 634 N CB 0.421 38.859 38.487 -0.082 0.000 1.651 634 N HN 0.687 nan 8.380 nan 0.000 0.593 635 N N -1.648 117.012 118.700 -0.066 0.000 2.735 635 N HA -0.159 4.585 4.740 0.008 0.000 0.248 635 N C -1.125 174.378 175.510 -0.012 0.000 1.083 635 N CA 0.263 53.287 53.050 -0.043 0.000 0.703 635 N CB -1.235 37.218 38.487 -0.058 0.000 1.005 635 N HN 0.401 nan 8.380 nan 0.000 0.550 636 L N -0.505 120.727 121.223 0.014 0.000 2.387 636 L HA 0.486 4.831 4.340 0.008 0.000 0.266 636 L C 1.672 178.659 176.870 0.195 0.000 1.059 636 L CA -0.156 54.756 54.840 0.120 0.000 0.801 636 L CB 1.410 43.578 42.059 0.181 0.000 1.223 636 L HN 0.253 nan 8.230 nan 0.000 0.456 637 T N -4.548 110.158 114.554 0.253 0.000 3.130 637 T HA 0.252 4.607 4.350 0.008 0.000 0.288 637 T C -0.256 174.589 174.700 0.241 0.000 0.936 637 T CA -0.253 61.987 62.100 0.234 0.000 0.897 637 T CB 0.410 69.368 68.868 0.150 0.000 1.178 637 T HN 0.551 nan 8.240 nan 0.000 0.543 638 D N -0.246 120.325 120.400 0.284 0.000 2.728 638 D HA 0.536 5.180 4.640 0.008 0.000 0.249 638 D C -2.172 174.297 176.300 0.282 0.000 1.225 638 D CA -0.527 53.595 54.000 0.204 0.000 0.748 638 D CB 1.876 42.858 40.800 0.303 0.000 1.326 638 D HN 0.282 nan 8.370 nan 0.000 0.426 639 L N 1.709 123.031 121.223 0.166 0.000 2.614 639 L HA 0.596 4.940 4.340 0.008 0.000 0.264 639 L C -1.484 175.466 176.870 0.134 0.000 0.940 639 L CA -0.577 54.399 54.840 0.227 0.000 0.903 639 L CB 1.368 43.586 42.059 0.264 0.000 1.306 639 L HN 0.286 nan 8.230 nan 0.000 0.410 640 R N 4.415 125.029 120.500 0.190 0.000 2.664 640 R HA 0.642 4.986 4.340 0.008 0.000 0.286 640 R C -1.363 174.981 176.300 0.072 0.000 0.967 640 R CA -0.693 55.460 56.100 0.090 0.000 0.933 640 R CB 2.283 32.638 30.300 0.092 0.000 1.146 640 R HN 0.643 nan 8.270 nan 0.000 0.468 641 L N 0.926 122.173 121.223 0.039 0.000 2.362 641 L HA 0.308 4.652 4.340 0.008 0.000 0.275 641 L C 0.365 177.252 176.870 0.029 0.000 0.998 641 L CA -0.480 54.374 54.840 0.024 0.000 0.820 641 L CB 2.170 44.245 42.059 0.028 0.000 1.270 641 L HN 0.654 nan 8.230 nan 0.000 0.415 642 S N 2.400 118.111 115.700 0.018 0.000 2.560 642 S HA 0.090 4.565 4.470 0.008 0.000 0.276 642 S C 1.300 175.923 174.600 0.038 0.000 1.350 642 S CA 0.500 58.719 58.200 0.031 0.000 1.024 642 S CB 1.400 64.611 63.200 0.019 0.000 0.864 642 S HN 0.775 nan 8.310 nan 0.000 0.536 643 A N 2.802 125.649 122.820 0.045 0.000 1.877 643 A HA -0.115 4.209 4.320 0.008 0.000 0.216 643 A C 1.490 179.100 177.584 0.043 0.000 1.186 643 A CA 1.937 54.002 52.037 0.045 0.000 0.620 643 A CB -0.928 18.098 19.000 0.043 0.000 0.822 643 A HN 0.970 nan 8.150 nan 0.000 0.443 644 D N -1.982 118.441 120.400 0.038 0.000 2.336 644 D HA 0.049 4.693 4.640 0.008 0.000 0.229 644 D C 0.741 177.062 176.300 0.034 0.000 1.061 644 D CA 0.128 54.150 54.000 0.036 0.000 0.875 644 D CB -0.464 40.355 40.800 0.033 0.000 0.904 644 D HN 0.499 nan 8.370 nan 0.000 0.525 645 R N -0.976 119.543 120.500 0.032 0.000 4.000 645 R HA -0.234 4.111 4.340 0.008 0.000 0.362 645 R C 0.794 177.105 176.300 0.017 0.000 1.183 645 R CA 1.373 57.488 56.100 0.025 0.000 1.011 645 R CB -1.762 28.557 30.300 0.030 0.000 1.501 645 R HN 0.326 nan 8.270 nan 0.000 0.553 646 K N -0.138 120.272 120.400 0.015 0.000 2.284 646 K HA 0.076 4.400 4.320 0.008 0.000 0.198 646 K C 0.456 177.050 176.600 -0.010 0.000 1.048 646 K CA 0.931 57.226 56.287 0.013 0.000 0.987 646 K CB 0.562 33.075 32.500 0.023 0.000 0.800 646 K HN 0.045 nan 8.250 nan 0.000 0.486 647 T N 1.319 115.857 114.554 -0.028 0.000 2.829 647 T HA 0.412 4.766 4.350 0.008 0.000 0.280 647 T C -0.724 173.886 174.700 -0.149 0.000 0.999 647 T CA -0.654 61.399 62.100 -0.079 0.000 0.983 647 T CB 2.406 71.257 68.868 -0.029 0.000 0.968 647 T HN -0.272 nan 8.240 nan 0.000 0.446 648 V N 3.952 123.650 119.914 -0.360 0.000 2.540 648 V HA 0.532 4.657 4.120 0.008 0.000 0.302 648 V C -0.350 175.498 176.094 -0.411 0.000 1.035 648 V CA -0.782 61.243 62.300 -0.458 0.000 0.873 648 V CB 1.729 33.032 31.823 -0.866 0.000 0.992 648 V HN 0.844 nan 8.190 nan 0.000 0.428 649 M N 5.272 124.830 119.600 -0.071 0.000 2.311 649 M HA 0.743 5.227 4.480 0.008 0.000 0.325 649 M C -0.844 175.604 176.300 0.246 0.000 1.061 649 M CA -0.749 54.617 55.300 0.111 0.000 0.957 649 M CB 2.092 34.879 32.600 0.312 0.000 1.646 649 M HN 0.646 nan 8.290 nan 0.000 0.434 650 V N 0.923 120.957 119.914 0.199 0.000 3.078 650 V HA 0.837 4.962 4.120 0.008 0.000 0.311 650 V C -1.253 174.884 176.094 0.070 0.000 1.138 650 V CA -1.014 61.437 62.300 0.252 0.000 1.007 650 V CB 2.196 34.220 31.823 0.335 0.000 1.045 650 V HN 0.946 nan 8.190 nan 0.000 0.432 651 R N 1.731 122.309 120.500 0.130 0.000 2.494 651 R HA 0.671 5.015 4.340 0.008 0.000 0.305 651 R C -0.597 175.792 176.300 0.149 0.000 0.959 651 R CA -0.363 55.772 56.100 0.059 0.000 0.864 651 R CB 1.737 32.108 30.300 0.118 0.000 1.159 651 R HN 0.925 nan 8.270 nan 0.000 0.446 652 K N 1.843 122.334 120.400 0.153 0.000 2.211 652 K HA 0.170 4.494 4.320 0.008 0.000 0.237 652 K C 0.199 176.851 176.600 0.086 0.000 1.002 652 K CA -0.579 55.766 56.287 0.098 0.000 0.885 652 K CB 1.094 33.608 32.500 0.022 0.000 1.136 652 K HN 0.812 nan 8.250 nan 0.000 0.448 653 D N 0.790 121.222 120.400 0.054 0.000 2.265 653 D HA -0.212 4.433 4.640 0.008 0.000 0.208 653 D C 0.773 177.099 176.300 0.044 0.000 0.977 653 D CA 1.225 55.252 54.000 0.044 0.000 0.871 653 D CB -0.162 40.652 40.800 0.023 0.000 0.925 653 D HN 0.621 nan 8.370 nan 0.000 0.485 654 D N -0.278 120.156 120.400 0.057 0.000 2.363 654 D HA 0.045 4.689 4.640 0.008 0.000 0.226 654 D C 1.752 178.082 176.300 0.049 0.000 1.020 654 D CA 0.933 54.967 54.000 0.056 0.000 0.892 654 D CB -0.413 40.437 40.800 0.082 0.000 0.900 654 D HN 0.399 nan 8.370 nan 0.000 0.531 655 G N 0.028 108.860 108.800 0.054 0.000 2.179 655 G HA2 -0.312 3.653 3.960 0.008 0.000 0.260 655 G HA3 -0.312 3.653 3.960 0.008 0.000 0.260 655 G C 0.208 175.104 174.900 -0.008 0.000 0.977 655 G CA 0.363 45.477 45.100 0.024 0.000 0.641 655 G HN 0.508 nan 8.290 nan 0.000 0.533 656 K N -0.083 120.331 120.400 0.023 0.000 2.087 656 K HA 0.707 5.031 4.320 0.008 0.000 0.255 656 K C 0.289 176.814 176.600 -0.125 0.000 0.988 656 K CA -0.717 55.505 56.287 -0.109 0.000 0.915 656 K CB 1.452 33.824 32.500 -0.213 0.000 1.043 656 K HN 0.213 nan 8.250 nan 0.000 0.457 657 I N 2.423 122.783 120.570 -0.350 0.000 2.359 657 I HA 0.266 4.441 4.170 0.008 0.000 0.294 657 I C -0.830 175.057 176.117 -0.384 0.000 0.987 657 I CA -0.671 60.402 61.300 -0.379 0.000 1.225 657 I CB 0.507 38.180 38.000 -0.546 0.000 1.366 657 I HN 0.424 nan 8.210 nan 0.000 0.466 658 Y N 2.829 123.047 120.300 -0.136 0.000 2.570 658 Y HA 0.588 5.143 4.550 0.007 0.000 0.345 658 Y C 0.244 176.175 175.900 0.052 0.000 1.014 658 Y CA -0.882 57.217 58.100 -0.001 0.000 1.063 658 Y CB 2.218 40.727 38.460 0.082 0.000 1.272 658 Y HN 0.377 nan 8.280 nan 0.000 0.477 659 T N 2.488 117.210 114.554 0.279 0.000 2.909 659 T HA 0.791 5.145 4.350 0.008 0.000 0.299 659 T C -1.825 173.039 174.700 0.273 0.000 1.073 659 T CA -0.569 61.622 62.100 0.152 0.000 0.999 659 T CB 0.494 69.403 68.868 0.069 0.000 1.098 659 T HN 0.524 nan 8.240 nan 0.000 0.477 660 F N 1.442 121.446 119.950 0.090 0.000 2.688 660 F HA 0.729 5.260 4.527 0.007 0.000 0.308 660 F C -3.348 172.490 175.800 0.063 0.000 1.117 660 F CA -2.554 55.488 58.000 0.070 0.000 0.976 660 F CB 0.353 39.388 39.000 0.058 0.000 1.291 660 F HN 0.280 nan 8.300 nan 0.000 0.439 661 P HA 0.194 nan 4.420 nan 0.000 0.271 661 P C 0.813 178.226 177.300 0.190 0.000 1.220 661 P CA -0.196 62.972 63.100 0.114 0.000 0.768 661 P CB 1.220 32.989 31.700 0.113 0.000 0.848 662 L N 3.193 124.466 121.223 0.083 0.000 2.450 662 L HA -0.180 4.164 4.340 0.008 0.000 0.224 662 L C 1.765 178.718 176.870 0.138 0.000 1.149 662 L CA 1.378 56.298 54.840 0.133 0.000 0.816 662 L CB -0.131 41.961 42.059 0.054 0.000 0.932 662 L HN 0.399 nan 8.230 nan 0.000 0.449 663 E N -0.040 120.226 120.200 0.110 0.000 2.250 663 E HA -0.149 4.206 4.350 0.008 0.000 0.192 663 E C 0.683 177.335 176.600 0.086 0.000 0.986 663 E CA 0.368 56.818 56.400 0.083 0.000 0.849 663 E CB 0.104 29.840 29.700 0.060 0.000 0.797 663 E HN 0.310 nan 8.360 nan 0.000 0.482 664 K N 1.671 122.141 120.400 0.117 0.000 3.050 664 K HA 0.192 4.516 4.320 0.008 0.000 0.185 664 K C -2.223 174.450 176.600 0.123 0.000 1.147 664 K CA -1.453 54.890 56.287 0.093 0.000 0.916 664 K CB 1.418 33.960 32.500 0.070 0.000 1.119 664 K HN -0.253 nan 8.250 nan 0.000 0.605 665 P HA -0.214 nan 4.420 nan 0.000 0.227 665 P C 0.616 177.816 177.300 -0.167 0.000 1.145 665 P CA 1.024 64.093 63.100 -0.051 0.000 0.769 665 P CB 0.385 31.971 31.700 -0.190 0.000 0.769 666 E N 0.385 120.552 120.200 -0.055 0.000 2.158 666 E HA -0.084 4.271 4.350 0.008 0.000 0.191 666 E C 0.239 176.833 176.600 -0.010 0.000 0.982 666 E CA 0.352 56.719 56.400 -0.055 0.000 0.823 666 E CB -0.115 29.570 29.700 -0.026 0.000 0.766 666 E HN 0.147 nan 8.360 nan 0.000 0.468 667 D N 2.272 122.700 120.400 0.046 0.000 2.551 667 D HA 0.019 4.664 4.640 0.008 0.000 0.223 667 D C -0.633 175.753 176.300 0.143 0.000 1.144 667 D CA 0.317 54.366 54.000 0.082 0.000 1.025 667 D CB 0.322 41.175 40.800 0.089 0.000 1.085 667 D HN 0.273 nan 8.370 nan 0.000 0.506 668 E N 1.877 122.147 120.200 0.116 0.000 2.179 668 E HA 0.432 4.786 4.350 0.008 0.000 0.275 668 E C -0.616 176.100 176.600 0.193 0.000 0.945 668 E CA -0.761 55.753 56.400 0.190 0.000 0.792 668 E CB 1.256 30.998 29.700 0.070 0.000 1.125 668 E HN 0.096 nan 8.360 nan 0.000 0.397 669 R N 1.588 122.225 120.500 0.227 0.000 2.807 669 R HA 0.403 4.747 4.340 0.008 0.000 0.276 669 R C -1.067 175.296 176.300 0.106 0.000 0.979 669 R CA -0.701 55.486 56.100 0.145 0.000 0.928 669 R CB 2.316 32.671 30.300 0.092 0.000 1.191 669 R HN 0.414 nan 8.270 nan 0.000 0.471 670 T N 1.656 116.188 114.554 -0.038 0.000 2.744 670 T HA 0.227 4.582 4.350 0.008 0.000 0.291 670 T C -0.059 174.500 174.700 -0.235 0.000 0.957 670 T CA -0.602 61.315 62.100 -0.304 0.000 1.002 670 T CB 1.059 69.718 68.868 -0.347 0.000 0.919 670 T HN 0.132 nan 8.240 nan 0.000 0.468 671 V N 4.677 124.421 119.914 -0.284 0.000 2.508 671 V HA 0.177 4.302 4.120 0.008 0.000 0.281 671 V C 0.427 176.378 176.094 -0.240 0.000 1.041 671 V CA -0.219 61.956 62.300 -0.209 0.000 1.016 671 V CB 0.507 32.205 31.823 -0.208 0.000 0.984 671 V HN 0.755 nan 8.190 nan 0.000 0.478 672 E N 3.159 123.251 120.200 -0.181 0.000 2.158 672 E HA 0.375 4.730 4.350 0.008 0.000 0.271 672 E C 0.565 177.049 176.600 -0.193 0.000 0.911 672 E CA -0.136 56.155 56.400 -0.182 0.000 0.767 672 E CB 1.990 31.611 29.700 -0.132 0.000 1.120 672 E HN 0.843 nan 8.360 nan 0.000 0.405 673 T N -1.942 112.459 114.554 -0.254 0.000 3.004 673 T HA 0.106 4.460 4.350 0.008 0.000 0.266 673 T C 0.259 174.844 174.700 -0.192 0.000 0.986 673 T CA -0.243 61.678 62.100 -0.298 0.000 0.902 673 T CB 0.162 68.634 68.868 -0.661 0.000 1.118 673 T HN 0.037 nan 8.240 nan 0.000 0.522 674 D N 1.195 121.503 120.400 -0.155 0.000 2.358 674 D HA 0.236 4.881 4.640 0.008 0.000 0.224 674 D C 1.464 177.714 176.300 -0.084 0.000 1.123 674 D CA 0.033 53.968 54.000 -0.108 0.000 0.833 674 D CB 0.407 41.150 40.800 -0.096 0.000 0.946 674 D HN 0.399 nan 8.370 nan 0.000 0.505 675 K N 0.409 120.756 120.400 -0.088 0.000 2.155 675 K HA 0.007 4.332 4.320 0.008 0.000 0.203 675 K C 0.912 177.473 176.600 -0.065 0.000 1.052 675 K CA 0.394 56.637 56.287 -0.075 0.000 0.948 675 K CB 0.528 32.979 32.500 -0.082 0.000 0.728 675 K HN -0.050 nan 8.250 nan 0.000 0.448 676 R N 1.638 122.094 120.500 -0.072 0.000 2.295 676 R HA 0.249 4.593 4.340 0.008 0.000 0.324 676 R C -2.713 173.547 176.300 -0.067 0.000 0.968 676 R CA -2.084 53.978 56.100 -0.064 0.000 0.837 676 R CB 1.262 31.521 30.300 -0.068 0.000 1.133 676 R HN -0.125 nan 8.270 nan 0.000 0.450 677 P HA 0.017 nan 4.420 nan 0.000 0.271 677 P C -0.988 176.307 177.300 -0.009 0.000 1.218 677 P CA -0.442 62.648 63.100 -0.017 0.000 0.780 677 P CB 0.544 32.242 31.700 -0.004 0.000 0.901 678 L N 3.620 124.853 121.223 0.016 0.000 2.290 678 L HA 0.232 4.577 4.340 0.008 0.000 0.284 678 L C -0.423 176.471 176.870 0.041 0.000 1.078 678 L CA 0.057 54.928 54.840 0.053 0.000 0.815 678 L CB 0.836 42.949 42.059 0.090 0.000 1.162 678 L HN 0.093 nan 8.230 nan 0.000 0.435 679 V N 3.868 123.812 119.914 0.049 0.000 2.581 679 V HA 0.879 5.004 4.120 0.008 0.000 0.303 679 V C -0.170 175.916 176.094 -0.013 0.000 1.041 679 V CA -0.236 62.072 62.300 0.012 0.000 0.907 679 V CB 1.771 33.602 31.823 0.014 0.000 0.994 679 V HN 0.950 nan 8.190 nan 0.000 0.442 680 S N 2.124 117.795 115.700 -0.049 0.000 2.636 680 S HA 0.554 5.028 4.470 0.008 0.000 0.266 680 S C -0.831 173.696 174.600 -0.122 0.000 1.147 680 S CA -0.615 57.532 58.200 -0.087 0.000 0.815 680 S CB 1.685 64.824 63.200 -0.102 0.000 1.119 680 S HN 0.873 nan 8.310 nan 0.000 0.470 681 S N 0.082 115.676 115.700 -0.177 0.000 2.433 681 S HA 0.523 4.998 4.470 0.008 0.000 0.310 681 S C 1.066 175.472 174.600 -0.323 0.000 1.097 681 S CA -0.994 57.056 58.200 -0.250 0.000 1.103 681 S CB -0.237 62.737 63.200 -0.377 0.000 0.992 681 S HN 0.624 nan 8.310 nan 0.000 0.469 682 I N 4.449 124.827 120.570 -0.319 0.000 2.127 682 I HA -0.229 3.946 4.170 0.008 0.000 0.241 682 I C 2.607 178.376 176.117 -0.579 0.000 1.075 682 I CA 1.727 62.706 61.300 -0.536 0.000 1.334 682 I CB -0.562 37.083 38.000 -0.592 0.000 1.040 682 I HN 0.863 nan 8.210 nan 0.000 0.405 683 H N 1.610 120.475 119.070 -0.342 0.000 2.421 683 H HA -0.187 4.373 4.556 0.008 0.000 0.298 683 H C 1.836 177.128 175.328 -0.060 0.000 1.087 683 H CA 1.667 57.608 56.048 -0.178 0.000 1.330 683 H CB -0.560 29.141 29.762 -0.102 0.000 1.388 683 H HN 0.630 nan 8.280 nan 0.000 0.526 684 E N 1.415 121.258 120.200 -0.595 0.000 2.072 684 E HA -0.156 4.198 4.350 0.008 0.000 0.191 684 E C 1.904 178.440 176.600 -0.105 0.000 0.985 684 E CA 1.036 57.243 56.400 -0.323 0.000 0.801 684 E CB -0.208 29.276 29.700 -0.361 0.000 0.750 684 E HN 0.605 nan 8.360 nan 0.000 0.452 685 E N -0.177 119.954 120.200 -0.114 0.000 2.106 685 E HA -0.115 4.240 4.350 0.008 0.000 0.192 685 E C 1.821 178.546 176.600 0.209 0.000 0.984 685 E CA 0.806 57.211 56.400 0.010 0.000 0.806 685 E CB -0.137 29.542 29.700 -0.035 0.000 0.750 685 E HN 0.255 nan 8.360 nan 0.000 0.458 686 F N 0.901 120.838 119.950 -0.022 0.000 2.134 686 F HA -0.137 4.395 4.527 0.008 0.000 0.299 686 F C 2.187 178.030 175.800 0.073 0.000 1.097 686 F CA 0.815 58.828 58.000 0.021 0.000 1.264 686 F CB -0.784 38.230 39.000 0.023 0.000 1.001 686 F HN 0.028 nan 8.300 nan 0.000 0.479 687 L N -0.463 120.916 121.223 0.260 0.000 2.056 687 L HA -0.212 4.133 4.340 0.008 0.000 0.207 687 L C 2.722 179.712 176.870 0.201 0.000 1.078 687 L CA 1.251 56.212 54.840 0.201 0.000 0.749 687 L CB -0.485 41.660 42.059 0.145 0.000 0.901 687 L HN 0.131 nan 8.230 nan 0.000 0.433 688 Q N -0.018 119.869 119.800 0.145 0.000 2.084 688 Q HA -0.240 4.104 4.340 0.008 0.000 0.202 688 Q C 2.140 178.213 176.000 0.121 0.000 0.978 688 Q CA 1.938 57.809 55.803 0.112 0.000 0.844 688 Q CB -0.116 28.656 28.738 0.057 0.000 0.898 688 Q HN 0.512 nan 8.270 nan 0.000 0.426 689 M N -0.974 118.704 119.600 0.129 0.000 2.132 689 M HA -0.168 4.317 4.480 0.008 0.000 0.263 689 M C 2.043 178.408 176.300 0.109 0.000 1.065 689 M CA 1.465 56.822 55.300 0.095 0.000 1.122 689 M CB -0.493 32.148 32.600 0.068 0.000 1.365 689 M HN 0.188 nan 8.290 nan 0.000 0.411 690 Y N 1.559 121.893 120.300 0.058 0.000 2.128 690 Y HA -0.297 4.258 4.550 0.007 0.000 0.284 690 Y C 1.871 177.872 175.900 0.169 0.000 1.154 690 Y CA 1.952 60.096 58.100 0.072 0.000 1.149 690 Y CB -0.367 38.111 38.460 0.029 0.000 0.976 690 Y HN 0.214 nan 8.280 nan 0.000 0.505 691 D N 0.136 120.643 120.400 0.178 0.000 2.123 691 D HA -0.205 4.440 4.640 0.008 0.000 0.196 691 D C 2.069 178.496 176.300 0.211 0.000 0.992 691 D CA 1.763 55.893 54.000 0.216 0.000 0.833 691 D CB -0.329 40.629 40.800 0.262 0.000 0.954 691 D HN 0.623 nan 8.370 nan 0.000 0.455 692 E N 0.090 120.365 120.200 0.125 0.000 2.106 692 E HA -0.094 4.260 4.350 0.008 0.000 0.192 692 E C 1.977 178.607 176.600 0.051 0.000 0.984 692 E CA 0.918 57.373 56.400 0.091 0.000 0.806 692 E CB 0.031 29.763 29.700 0.054 0.000 0.750 692 E HN 0.180 nan 8.360 nan 0.000 0.458 693 A N 0.553 123.377 122.820 0.007 0.000 1.877 693 A HA -0.197 4.127 4.320 0.008 0.000 0.216 693 A C 1.919 179.475 177.584 -0.048 0.000 1.186 693 A CA 1.427 53.441 52.037 -0.037 0.000 0.620 693 A CB -1.230 17.733 19.000 -0.062 0.000 0.822 693 A HN 0.677 nan 8.150 nan 0.000 0.443 694 W N 0.899 122.034 121.300 -0.275 0.000 2.335 694 W HA -0.212 4.453 4.660 0.007 0.000 0.311 694 W C 2.221 178.712 176.519 -0.047 0.000 1.213 694 W CA 2.298 59.526 57.345 -0.195 0.000 1.274 694 W CB -0.042 29.256 29.460 -0.270 0.000 1.148 694 W HN 0.295 nan 8.180 nan 0.000 0.498 695 K N 0.033 120.509 120.400 0.127 0.000 2.057 695 K HA -0.178 4.147 4.320 0.008 0.000 0.206 695 K C 2.087 178.574 176.600 -0.189 0.000 1.050 695 K CA 1.769 58.009 56.287 -0.078 0.000 0.935 695 K CB -0.517 32.088 32.500 0.174 0.000 0.715 695 K HN 0.279 nan 8.250 nan 0.000 0.439 696 L N 0.525 121.680 121.223 -0.112 0.000 2.046 696 L HA -0.141 4.203 4.340 0.008 0.000 0.208 696 L C 2.622 179.367 176.870 -0.208 0.000 1.077 696 L CA 1.242 56.016 54.840 -0.111 0.000 0.747 696 L CB -0.506 41.520 42.059 -0.054 0.000 0.896 696 L HN 0.305 nan 8.230 nan 0.000 0.432 697 A N -0.136 122.507 122.820 -0.295 0.000 1.933 697 A HA -0.252 4.072 4.320 0.008 0.000 0.218 697 A C 2.436 179.698 177.584 -0.536 0.000 1.175 697 A CA 1.838 53.583 52.037 -0.487 0.000 0.628 697 A CB -0.561 18.109 19.000 -0.550 0.000 0.814 697 A HN 0.360 nan 8.150 nan 0.000 0.444 698 R N -0.435 119.787 120.500 -0.463 0.000 2.062 698 R HA -0.144 4.201 4.340 0.008 0.000 0.231 698 R C 1.415 177.579 176.300 -0.226 0.000 1.136 698 R CA 1.794 57.682 56.100 -0.352 0.000 0.948 698 R CB -0.409 29.524 30.300 -0.612 0.000 0.845 698 R HN 0.395 nan 8.270 nan 0.000 0.430 699 D N 0.369 120.637 120.400 -0.220 0.000 2.178 699 D HA -0.117 4.528 4.640 0.008 0.000 0.201 699 D C 1.040 177.261 176.300 -0.131 0.000 0.980 699 D CA 1.035 54.948 54.000 -0.145 0.000 0.842 699 D CB -0.196 40.542 40.800 -0.103 0.000 0.948 699 D HN 0.266 nan 8.370 nan 0.000 0.472 700 N N -0.652 117.963 118.700 -0.141 0.000 2.236 700 N HA -0.061 4.684 4.740 0.008 0.000 0.196 700 N C -0.058 175.358 175.510 -0.156 0.000 1.114 700 N CA -0.200 52.761 53.050 -0.148 0.000 0.859 700 N CB 0.140 38.553 38.487 -0.123 0.000 0.982 700 N HN 0.208 nan 8.380 nan 0.000 0.493 701 Y N 2.654 122.795 120.300 -0.265 0.000 2.620 701 Y HA -0.115 4.439 4.550 0.007 0.000 0.330 701 Y C 1.755 177.539 175.900 -0.193 0.000 1.186 701 Y CA -0.671 57.293 58.100 -0.226 0.000 1.467 701 Y CB 0.390 38.714 38.460 -0.226 0.000 1.262 701 Y HN 0.186 nan 8.280 nan 0.000 0.550 702 W N 4.971 125.756 121.300 -0.859 0.000 2.325 702 W HA -0.264 4.401 4.660 0.007 0.000 0.299 702 W C -0.595 175.631 176.519 -0.489 0.000 1.215 702 W CA 1.272 58.219 57.345 -0.664 0.000 1.244 702 W CB -0.638 28.425 29.460 -0.662 0.000 1.140 702 W HN 0.629 nan 8.180 nan 0.000 0.523 703 N N 1.801 119.517 118.700 -1.639 0.000 2.485 703 N HA 0.028 4.772 4.740 0.008 0.000 0.243 703 N C 1.045 176.297 175.510 -0.430 0.000 0.987 703 N CA -0.025 52.279 53.050 -1.243 0.000 0.940 703 N CB 0.939 38.468 38.487 -1.597 0.000 1.122 703 N HN 0.122 nan 8.380 nan 0.000 0.509 704 E N 3.567 123.571 120.200 -0.328 0.000 2.051 704 E HA -0.231 4.123 4.350 0.008 0.000 0.192 704 E C 1.697 178.210 176.600 -0.146 0.000 0.991 704 E CA 1.352 57.641 56.400 -0.184 0.000 0.799 704 E CB 0.006 29.604 29.700 -0.171 0.000 0.748 704 E HN 0.771 nan 8.360 nan 0.000 0.449 705 A N 0.656 123.374 122.820 -0.170 0.000 1.873 705 A HA -0.212 4.112 4.320 0.008 0.000 0.218 705 A C 2.451 179.968 177.584 -0.113 0.000 1.193 705 A CA 1.991 53.952 52.037 -0.128 0.000 0.629 705 A CB -1.025 17.897 19.000 -0.129 0.000 0.826 705 A HN 0.243 nan 8.150 nan 0.000 0.447 706 V N -0.075 119.759 119.914 -0.133 0.000 2.287 706 V HA -0.281 3.844 4.120 0.008 0.000 0.248 706 V C 3.068 179.083 176.094 -0.132 0.000 1.053 706 V CA 2.047 64.277 62.300 -0.116 0.000 1.027 706 V CB -1.495 30.274 31.823 -0.090 0.000 0.646 706 V HN 0.668 nan 8.190 nan 0.000 0.447 707 A N -0.050 122.728 122.820 -0.070 0.000 1.903 707 A HA -0.368 3.956 4.320 0.008 0.000 0.219 707 A C 2.356 179.889 177.584 -0.086 0.000 1.191 707 A CA 2.665 54.678 52.037 -0.041 0.000 0.638 707 A CB -0.621 18.400 19.000 0.035 0.000 0.823 707 A HN 0.570 nan 8.150 nan 0.000 0.451 708 K N -0.781 119.573 120.400 -0.077 0.000 2.032 708 K HA -0.220 4.105 4.320 0.008 0.000 0.209 708 K C 2.196 178.776 176.600 -0.033 0.000 1.048 708 K CA 1.655 57.911 56.287 -0.052 0.000 0.927 708 K CB -0.170 32.304 32.500 -0.044 0.000 0.712 708 K HN 0.514 nan 8.250 nan 0.000 0.441 709 E N 1.135 121.302 120.200 -0.055 0.000 2.028 709 E HA -0.175 4.179 4.350 0.008 0.000 0.191 709 E C 2.060 178.625 176.600 -0.058 0.000 0.988 709 E CA 1.337 57.712 56.400 -0.042 0.000 0.799 709 E CB -0.175 29.494 29.700 -0.053 0.000 0.755 709 E HN 0.399 nan 8.360 nan 0.000 0.447 710 I N 1.455 121.928 120.570 -0.160 0.000 2.099 710 I HA -0.335 3.839 4.170 0.008 0.000 0.239 710 I C 2.832 178.866 176.117 -0.138 0.000 1.066 710 I CA 1.605 62.742 61.300 -0.272 0.000 1.324 710 I CB -0.692 36.888 38.000 -0.700 0.000 1.037 710 I HN 0.158 nan 8.210 nan 0.000 0.401 711 S N 0.894 116.538 115.700 -0.094 0.000 2.359 711 S HA -0.278 4.197 4.470 0.008 0.000 0.223 711 S C 1.819 176.754 174.600 0.559 0.000 1.039 711 S CA 1.749 60.040 58.200 0.151 0.000 1.042 711 S CB -0.780 62.316 63.200 -0.174 0.000 0.915 711 S HN 0.518 nan 8.310 nan 0.000 0.439 712 E N 0.982 121.394 120.200 0.354 0.000 2.110 712 E HA -0.123 4.232 4.350 0.008 0.000 0.193 712 E C 2.416 179.171 176.600 0.258 0.000 0.988 712 E CA 0.965 57.558 56.400 0.322 0.000 0.804 712 E CB -0.218 29.585 29.700 0.172 0.000 0.745 712 E HN 0.581 nan 8.360 nan 0.000 0.458 713 R N 1.285 121.893 120.500 0.180 0.000 2.120 713 R HA -0.115 4.230 4.340 0.008 0.000 0.234 713 R C 2.311 178.724 176.300 0.188 0.000 1.123 713 R CA 1.380 57.562 56.100 0.137 0.000 0.975 713 R CB -0.129 30.215 30.300 0.074 0.000 0.866 713 R HN 0.325 nan 8.270 nan 0.000 0.446 714 I N -3.398 117.348 120.570 0.293 0.000 3.941 714 I HA 0.047 4.222 4.170 0.008 0.000 0.321 714 I C 1.693 178.093 176.117 0.472 0.000 1.284 714 I CA -0.117 61.413 61.300 0.383 0.000 1.226 714 I CB -0.399 37.876 38.000 0.459 0.000 1.045 714 I HN -0.001 nan 8.210 nan 0.000 0.420 715 Y N 2.733 123.243 120.300 0.349 0.000 2.002 715 Y HA -0.396 4.158 4.550 0.007 0.000 0.268 715 Y C 2.720 178.671 175.900 0.085 0.000 1.177 715 Y CA 2.772 60.924 58.100 0.088 0.000 1.111 715 Y CB -0.098 38.216 38.460 -0.244 0.000 0.952 715 Y HN 0.328 nan 8.280 nan 0.000 0.491 716 E N 0.188 120.384 120.200 -0.006 0.000 2.106 716 E HA -0.252 4.103 4.350 0.008 0.000 0.192 716 E C 2.300 178.818 176.600 -0.136 0.000 0.984 716 E CA 1.141 57.464 56.400 -0.127 0.000 0.806 716 E CB -0.238 29.475 29.700 0.021 0.000 0.750 716 E HN 0.510 nan 8.360 nan 0.000 0.458 717 K N -0.276 120.065 120.400 -0.098 0.000 2.044 717 K HA -0.226 4.098 4.320 0.008 0.000 0.210 717 K C 1.686 178.140 176.600 -0.243 0.000 1.049 717 K CA 1.934 58.084 56.287 -0.228 0.000 0.927 717 K CB -0.244 32.016 32.500 -0.399 0.000 0.713 717 K HN 0.229 nan 8.250 nan 0.000 0.443 718 Y N -0.209 120.135 120.300 0.073 0.000 2.397 718 Y HA 0.081 4.635 4.550 0.007 0.000 0.292 718 Y C 2.438 178.045 175.900 -0.489 0.000 1.115 718 Y CA 0.380 58.480 58.100 -0.001 0.000 1.208 718 Y CB 0.035 38.632 38.460 0.229 0.000 1.046 718 Y HN 0.031 nan 8.280 nan 0.000 0.552 719 R N 1.192 121.288 120.500 -0.674 0.000 2.152 719 R HA -0.146 4.199 4.340 0.008 0.000 0.232 719 R C 0.924 176.933 176.300 -0.485 0.000 1.117 719 R CA 1.151 56.639 56.100 -1.021 0.000 0.981 719 R CB -0.388 29.352 30.300 -0.932 0.000 0.870 719 R HN 0.354 nan 8.270 nan 0.000 0.451 720 N N 0.798 119.326 118.700 -0.288 0.000 2.453 720 N HA -0.083 4.662 4.740 0.008 0.000 0.183 720 N C 1.586 177.015 175.510 -0.136 0.000 1.041 720 N CA 0.706 53.661 53.050 -0.157 0.000 0.900 720 N CB 0.014 38.456 38.487 -0.075 0.000 0.961 720 N HN 0.320 nan 8.380 nan 0.000 0.443 721 L N -0.208 120.919 121.223 -0.161 0.000 2.477 721 L HA 0.087 4.432 4.340 0.008 0.000 0.220 721 L C 1.888 178.685 176.870 -0.122 0.000 1.106 721 L CA 0.094 54.851 54.840 -0.139 0.000 0.851 721 L CB -0.022 41.957 42.059 -0.132 0.000 0.994 721 L HN -0.108 nan 8.230 nan 0.000 0.462 722 V N 1.218 121.024 119.914 -0.179 0.000 2.332 722 V HA -0.173 3.952 4.120 0.008 0.000 0.248 722 V C -0.121 175.979 176.094 0.009 0.000 1.055 722 V CA 2.000 64.237 62.300 -0.105 0.000 1.038 722 V CB -1.645 30.070 31.823 -0.180 0.000 0.651 722 V HN 0.401 nan 8.190 nan 0.000 0.450 723 P HA -0.076 nan 4.420 nan 0.000 0.230 723 P C 1.547 178.846 177.300 -0.001 0.000 1.158 723 P CA 1.139 64.237 63.100 -0.002 0.000 0.769 723 P CB -0.003 31.672 31.700 -0.041 0.000 0.807 724 L N -1.251 119.963 121.223 -0.015 0.000 2.418 724 L HA 0.068 4.412 4.340 0.008 0.000 0.218 724 L C 1.134 178.020 176.870 0.027 0.000 1.125 724 L CA 0.081 54.908 54.840 -0.022 0.000 0.835 724 L CB -0.599 41.423 42.059 -0.061 0.000 0.953 724 L HN -0.081 nan 8.230 nan 0.000 0.454 725 C N 0.895 120.246 119.300 0.086 0.000 2.585 725 C HA 0.151 4.615 4.460 0.008 0.000 0.406 725 C C 1.506 176.674 174.990 0.296 0.000 1.312 725 C CA -0.329 58.799 59.018 0.184 0.000 1.924 725 C CB 0.726 28.570 27.740 0.174 0.000 2.578 725 C HN 0.307 nan 8.230 nan 0.000 0.580 726 K N 0.404 120.966 120.400 0.270 0.000 2.474 726 K HA 0.130 4.454 4.320 0.008 0.000 0.204 726 K C 0.909 177.671 176.600 0.270 0.000 1.220 726 K CA 0.417 56.822 56.287 0.196 0.000 0.966 726 K CB 0.377 32.945 32.500 0.114 0.000 1.049 726 K HN 0.872 nan 8.250 nan 0.000 0.554 727 T N -2.788 111.988 114.554 0.370 0.000 2.916 727 T HA 0.405 4.759 4.350 0.008 0.000 0.292 727 T C 0.786 175.701 174.700 0.358 0.000 1.064 727 T CA -0.826 61.488 62.100 0.356 0.000 1.011 727 T CB 2.149 71.178 68.868 0.268 0.000 1.152 727 T HN -0.148 nan 8.240 nan 0.000 0.510 728 R N -0.047 120.601 120.500 0.248 0.000 2.127 728 R HA -0.077 4.268 4.340 0.008 0.000 0.238 728 R C 1.792 178.047 176.300 -0.074 0.000 1.134 728 R CA 1.591 57.610 56.100 -0.136 0.000 0.975 728 R CB -1.494 28.539 30.300 -0.446 0.000 0.865 728 R HN 0.784 nan 8.270 nan 0.000 0.447 729 Y N 1.189 121.572 120.300 0.138 0.000 2.200 729 Y HA -0.160 4.395 4.550 0.007 0.000 0.290 729 Y C 1.533 177.516 175.900 0.138 0.000 1.137 729 Y CA 1.991 60.277 58.100 0.309 0.000 1.163 729 Y CB -0.347 38.286 38.460 0.289 0.000 0.988 729 Y HN 0.147 nan 8.280 nan 0.000 0.518 730 D N 0.257 120.697 120.400 0.067 0.000 2.106 730 D HA -0.258 4.387 4.640 0.008 0.000 0.191 730 D C 2.480 178.689 176.300 -0.152 0.000 0.997 730 D CA 1.531 55.501 54.000 -0.050 0.000 0.834 730 D CB -0.749 40.088 40.800 0.061 0.000 0.956 730 D HN 0.383 nan 8.370 nan 0.000 0.448 731 L N 0.718 121.786 121.223 -0.259 0.000 2.043 731 L HA -0.238 4.106 4.340 0.008 0.000 0.212 731 L C 2.430 179.178 176.870 -0.204 0.000 1.075 731 L CA 1.556 56.159 54.840 -0.395 0.000 0.752 731 L CB -0.340 41.165 42.059 -0.924 0.000 0.891 731 L HN 0.045 nan 8.230 nan 0.000 0.432 732 S N 0.046 115.663 115.700 -0.138 0.000 2.368 732 S HA -0.228 4.246 4.470 0.008 0.000 0.225 732 S C 1.552 176.095 174.600 -0.095 0.000 1.030 732 S CA 1.987 60.172 58.200 -0.024 0.000 0.999 732 S CB -0.314 63.000 63.200 0.190 0.000 0.844 732 S HN 0.554 nan 8.310 nan 0.000 0.459 733 N N 0.320 118.895 118.700 -0.209 0.000 2.223 733 N HA -0.026 4.718 4.740 0.008 0.000 0.185 733 N C 1.540 177.020 175.510 -0.051 0.000 1.016 733 N CA 1.323 54.274 53.050 -0.165 0.000 0.863 733 N CB -0.192 38.162 38.487 -0.221 0.000 0.983 733 N HN 0.295 nan 8.380 nan 0.000 0.429 734 V N 0.484 120.378 119.914 -0.033 0.000 2.379 734 V HA -0.050 4.074 4.120 0.008 0.000 0.243 734 V C 1.988 178.118 176.094 0.060 0.000 1.035 734 V CA 1.042 63.376 62.300 0.057 0.000 1.035 734 V CB -0.362 31.490 31.823 0.048 0.000 0.673 734 V HN 0.249 nan 8.190 nan 0.000 0.457 735 I N 0.092 120.698 120.570 0.060 0.000 2.226 735 I HA -0.202 3.973 4.170 0.008 0.000 0.245 735 I C 2.361 178.470 176.117 -0.013 0.000 1.100 735 I CA 1.219 62.555 61.300 0.060 0.000 1.374 735 I CB -0.375 37.649 38.000 0.040 0.000 1.057 735 I HN 0.148 nan 8.210 nan 0.000 0.413 736 V N 0.442 120.351 119.914 -0.008 0.000 2.427 736 V HA -0.213 3.911 4.120 0.008 0.000 0.248 736 V C 2.439 178.513 176.094 -0.033 0.000 1.051 736 V CA 1.626 63.934 62.300 0.014 0.000 1.048 736 V CB -0.592 31.259 31.823 0.047 0.000 0.666 736 V HN 0.402 nan 8.190 nan 0.000 0.456 737 E N 0.139 120.271 120.200 -0.114 0.000 2.106 737 E HA -0.235 4.119 4.350 0.008 0.000 0.192 737 E C 2.184 178.472 176.600 -0.520 0.000 0.984 737 E CA 1.761 58.033 56.400 -0.214 0.000 0.806 737 E CB -0.264 29.395 29.700 -0.068 0.000 0.750 737 E HN 0.737 nan 8.360 nan 0.000 0.458 738 M N 0.460 119.619 119.600 -0.735 0.000 2.132 738 M HA -0.124 4.360 4.480 0.008 0.000 0.263 738 M C 1.845 178.077 176.300 -0.113 0.000 1.065 738 M CA 1.676 56.594 55.300 -0.636 0.000 1.122 738 M CB -0.377 32.055 32.600 -0.280 0.000 1.365 738 M HN -0.138 nan 8.290 nan 0.000 0.411 739 Q N 0.420 120.194 119.800 -0.043 0.000 2.170 739 Q HA -0.046 4.299 4.340 0.008 0.000 0.203 739 Q C 2.160 178.229 176.000 0.115 0.000 0.976 739 Q CA 1.406 57.245 55.803 0.061 0.000 0.858 739 Q CB -0.630 28.129 28.738 0.036 0.000 0.907 739 Q HN 0.823 nan 8.270 nan 0.000 0.433 740 G N 0.813 109.639 108.800 0.043 0.000 2.471 740 G HA2 -0.208 3.757 3.960 0.008 0.000 0.219 740 G HA3 -0.208 3.757 3.960 0.008 0.000 0.219 740 G C 1.146 176.070 174.900 0.041 0.000 1.125 740 G CA 0.220 45.348 45.100 0.047 0.000 0.775 740 G HN 0.195 nan 8.290 nan 0.000 0.548 741 E N 0.138 120.342 120.200 0.007 0.000 2.333 741 E HA -0.100 4.254 4.350 0.008 0.000 0.198 741 E C 1.498 178.026 176.600 -0.119 0.000 1.007 741 E CA 0.477 56.859 56.400 -0.030 0.000 0.845 741 E CB -0.202 29.487 29.700 -0.018 0.000 0.766 741 E HN 0.653 nan 8.360 nan 0.000 0.507 742 Y N 0.586 120.834 120.300 -0.087 0.000 2.583 742 Y HA 0.029 4.583 4.550 0.008 0.000 0.293 742 Y C 0.801 176.678 175.900 -0.039 0.000 1.157 742 Y CA 0.405 58.395 58.100 -0.182 0.000 1.315 742 Y CB -0.014 38.273 38.460 -0.288 0.000 1.021 742 Y HN -0.063 nan 8.280 nan 0.000 0.536 743 R N -0.033 120.567 120.500 0.167 0.000 3.610 743 R HA -0.180 4.165 4.340 0.008 0.000 0.274 743 R C -0.557 175.929 176.300 0.310 0.000 1.123 743 R CA 1.000 57.291 56.100 0.317 0.000 0.747 743 R CB -2.664 27.801 30.300 0.275 0.000 1.149 743 R HN 0.118 nan 8.270 nan 0.000 0.471 744 T N -0.710 113.819 114.554 -0.042 0.000 2.907 744 T HA 0.418 4.772 4.350 0.008 0.000 0.292 744 T C 0.360 174.427 174.700 -1.055 0.000 1.043 744 T CA -0.336 61.614 62.100 -0.250 0.000 1.003 744 T CB 1.942 70.933 68.868 0.203 0.000 1.084 744 T HN 0.247 nan 8.240 nan 0.000 0.483 745 S N 0.633 115.557 115.700 -1.292 0.000 2.606 745 S HA 0.179 4.654 4.470 0.008 0.000 0.257 745 S C 0.059 174.364 174.600 -0.493 0.000 1.327 745 S CA 0.011 57.344 58.200 -1.446 0.000 0.984 745 S CB -0.378 62.210 63.200 -1.020 0.000 0.941 745 S HN 0.935 nan 8.310 nan 0.000 0.576 746 H N -1.537 117.238 119.070 -0.491 0.000 2.791 746 H HA -0.116 4.445 4.556 0.007 0.000 0.302 746 H C -0.423 174.416 175.328 -0.816 0.000 1.198 746 H CA 0.849 56.381 56.048 -0.859 0.000 1.145 746 H CB -2.434 27.028 29.762 -0.500 0.000 1.385 746 H HN 0.479 nan 8.280 nan 0.000 0.409 747 S N 0.996 116.470 115.700 -0.377 0.000 2.695 747 S HA 0.352 4.826 4.470 0.008 0.000 0.275 747 S C -0.105 174.562 174.600 0.112 0.000 1.203 747 S CA -0.624 57.502 58.200 -0.124 0.000 1.061 747 S CB 0.145 63.332 63.200 -0.022 0.000 1.152 747 S HN 0.330 nan 8.310 nan 0.000 0.495 748 Y N 1.203 121.511 120.300 0.014 0.000 2.496 748 Y HA 0.501 5.055 4.550 0.007 0.000 0.331 748 Y C 0.625 176.511 175.900 -0.024 0.000 1.140 748 Y CA -1.245 56.835 58.100 -0.034 0.000 1.166 748 Y CB 1.221 39.657 38.460 -0.041 0.000 1.249 748 Y HN 0.351 nan 8.280 nan 0.000 0.479 749 E N 3.286 123.565 120.200 0.132 0.000 2.235 749 E HA 0.394 4.749 4.350 0.008 0.000 0.252 749 E C -1.628 175.004 176.600 0.054 0.000 0.886 749 E CA -0.445 56.011 56.400 0.092 0.000 0.767 749 E CB 0.890 30.643 29.700 0.090 0.000 1.205 749 E HN 0.624 nan 8.360 nan 0.000 0.421 750 M N 2.495 122.138 119.600 0.072 0.000 2.644 750 M HA 0.638 5.123 4.480 0.008 0.000 0.304 750 M C 0.491 176.847 176.300 0.092 0.000 1.215 750 M CA -0.434 54.888 55.300 0.037 0.000 0.871 750 M CB 1.979 34.586 32.600 0.011 0.000 1.740 750 M HN 0.734 nan 8.290 nan 0.000 0.464 751 G N 0.820 109.670 108.800 0.083 0.000 2.562 751 G HA2 0.240 4.205 3.960 0.008 0.000 0.250 751 G HA3 0.240 4.205 3.960 0.008 0.000 0.250 751 G C 0.067 175.139 174.900 0.287 0.000 1.269 751 G CA -0.049 45.133 45.100 0.136 0.000 0.919 751 G HN 1.863 nan 8.290 nan 0.000 0.574 752 G N -3.466 105.491 108.800 0.262 0.000 2.746 752 G HA2 0.423 4.388 3.960 0.008 0.000 0.685 752 G HA3 0.423 4.388 3.960 0.008 0.000 0.685 752 G C -0.261 174.851 174.900 0.354 0.000 1.350 752 G CA 0.475 45.749 45.100 0.290 0.000 0.837 752 G HN 2.107 nan 8.290 nan 0.000 0.564 753 T N 1.159 115.849 114.554 0.227 0.000 2.833 753 T HA 0.591 4.946 4.350 0.008 0.000 0.297 753 T C 0.563 175.323 174.700 0.101 0.000 1.015 753 T CA -0.142 62.117 62.100 0.265 0.000 0.963 753 T CB 0.915 69.979 68.868 0.326 0.000 0.955 753 T HN 0.454 nan 8.240 nan 0.000 0.449 754 F N 1.219 121.233 119.950 0.107 0.000 2.694 754 F HA 0.326 4.858 4.527 0.008 0.000 0.292 754 F C 1.532 177.376 175.800 0.073 0.000 1.121 754 F CA -0.276 57.786 58.000 0.103 0.000 1.352 754 F CB 0.987 40.038 39.000 0.085 0.000 1.107 754 F HN 0.458 nan 8.300 nan 0.000 0.597 755 T N -1.025 113.664 114.554 0.224 0.000 2.769 755 T HA 0.198 4.552 4.350 0.008 0.000 0.306 755 T C -0.989 173.757 174.700 0.077 0.000 1.400 755 T CA -0.506 61.662 62.100 0.115 0.000 1.007 755 T CB 1.363 70.267 68.868 0.060 0.000 1.392 755 T HN 0.125 nan 8.240 nan 0.000 0.500 756 D N 0.299 120.722 120.400 0.037 0.000 2.398 756 D HA 0.194 4.838 4.640 0.008 0.000 0.210 756 D C 0.129 176.417 176.300 -0.020 0.000 1.094 756 D CA -0.186 53.825 54.000 0.019 0.000 0.839 756 D CB 0.206 41.018 40.800 0.021 0.000 0.963 756 D HN 0.161 nan 8.370 nan 0.000 0.506 757 K N 1.897 122.270 120.400 -0.046 0.000 2.412 757 K HA 0.087 4.412 4.320 0.008 0.000 0.281 757 K C 0.074 176.602 176.600 -0.120 0.000 1.027 757 K CA -0.144 56.081 56.287 -0.102 0.000 0.989 757 K CB 0.571 32.974 32.500 -0.161 0.000 0.935 757 K HN 0.210 nan 8.250 nan 0.000 0.475 758 D N 3.977 124.303 120.400 -0.123 0.000 2.382 758 D HA 0.086 4.731 4.640 0.008 0.000 0.240 758 D C -1.975 174.216 176.300 -0.181 0.000 1.146 758 D CA -1.029 52.905 54.000 -0.110 0.000 0.897 758 D CB 0.287 41.040 40.800 -0.078 0.000 1.197 758 D HN 0.259 nan 8.370 nan 0.000 0.432 759 P HA 0.045 nan 4.420 nan 0.000 0.271 759 P C -0.171 177.073 177.300 -0.093 0.000 1.218 759 P CA -0.235 62.794 63.100 -0.118 0.000 0.780 759 P CB 0.386 32.069 31.700 -0.029 0.000 0.901 760 F N 2.002 121.954 119.950 0.004 0.000 2.589 760 F HA 0.086 4.618 4.527 0.008 0.000 0.352 760 F C 1.829 177.641 175.800 0.020 0.000 1.168 760 F CA 0.763 58.768 58.000 0.009 0.000 1.353 760 F CB 0.184 39.179 39.000 -0.009 0.000 1.116 760 F HN 0.087 nan 8.300 nan 0.000 0.608 761 R N 1.062 121.724 120.500 0.271 0.000 2.664 761 R HA 0.591 4.936 4.340 0.008 0.000 0.286 761 R C -0.852 175.553 176.300 0.175 0.000 0.967 761 R CA -0.815 55.389 56.100 0.173 0.000 0.933 761 R CB 1.895 32.277 30.300 0.137 0.000 1.146 761 R HN 0.584 nan 8.270 nan 0.000 0.468 762 S N -0.091 115.690 115.700 0.136 0.000 2.548 762 S HA 0.640 5.114 4.470 0.008 0.000 0.276 762 S C -0.807 173.862 174.600 0.114 0.000 1.129 762 S CA -0.587 57.697 58.200 0.141 0.000 0.931 762 S CB 1.712 64.995 63.200 0.137 0.000 1.068 762 S HN 0.745 nan 8.310 nan 0.000 0.480 763 G N 3.189 112.058 108.800 0.115 0.000 2.368 763 G HA2 0.680 4.645 3.960 0.008 0.000 0.320 763 G HA3 0.680 4.645 3.960 0.008 0.000 0.320 763 G C -0.961 174.006 174.900 0.112 0.000 1.158 763 G CA -0.625 44.526 45.100 0.084 0.000 0.912 763 G HN 0.672 nan 8.290 nan 0.000 0.456 764 R N 0.894 121.451 120.500 0.095 0.000 2.795 764 R HA 0.525 4.870 4.340 0.008 0.000 0.275 764 R C 0.304 176.661 176.300 0.095 0.000 0.981 764 R CA -0.821 55.345 56.100 0.109 0.000 0.917 764 R CB 2.269 32.613 30.300 0.073 0.000 1.202 764 R HN 0.577 nan 8.270 nan 0.000 0.469 765 I N -1.453 119.185 120.570 0.113 0.000 3.597 765 I HA 0.476 4.651 4.170 0.008 0.000 0.323 765 I C 0.030 176.203 176.117 0.093 0.000 1.535 765 I CA -0.445 60.917 61.300 0.103 0.000 1.028 765 I CB 1.403 39.475 38.000 0.121 0.000 1.354 765 I HN 0.680 nan 8.210 nan 0.000 0.544 766 A N 0.500 123.362 122.820 0.069 0.000 2.610 766 A HA -0.190 4.135 4.320 0.008 0.000 0.299 766 A C 0.057 177.762 177.584 0.200 0.000 1.487 766 A CA 0.933 53.026 52.037 0.093 0.000 0.743 766 A CB -2.513 16.572 19.000 0.141 0.000 1.070 766 A HN 0.694 nan 8.150 nan 0.000 0.439 767 C N 0.149 119.458 119.300 0.014 0.000 2.888 767 C HA 0.686 5.150 4.460 0.008 0.000 0.308 767 C C -0.516 174.145 174.990 -0.547 0.000 1.213 767 C CA -0.889 58.009 59.018 -0.201 0.000 1.461 767 C CB 2.065 29.599 27.740 -0.344 0.000 1.934 767 C HN 0.668 nan 8.230 nan 0.000 0.474 768 D N 1.157 121.314 120.400 -0.405 0.000 2.217 768 D HA 0.629 5.273 4.640 0.008 0.000 0.243 768 D C -0.852 175.183 176.300 -0.442 0.000 1.054 768 D CA 0.101 53.903 54.000 -0.329 0.000 0.838 768 D CB 0.855 41.657 40.800 0.002 0.000 1.162 768 D HN 0.301 nan 8.370 nan 0.000 0.472 769 F N 0.810 120.876 119.950 0.194 0.000 2.480 769 F HA 0.439 4.970 4.527 0.007 0.000 0.329 769 F C 0.749 176.727 175.800 0.297 0.000 1.091 769 F CA -1.013 57.097 58.000 0.183 0.000 0.972 769 F CB 1.926 40.927 39.000 0.003 0.000 1.150 769 F HN -0.112 nan 8.300 nan 0.000 0.467 770 K N 3.134 123.815 120.400 0.468 0.000 2.397 770 K HA 0.395 4.719 4.320 0.008 0.000 0.253 770 K C -1.602 175.189 176.600 0.318 0.000 0.932 770 K CA -0.795 55.703 56.287 0.353 0.000 0.795 770 K CB 1.718 34.355 32.500 0.228 0.000 1.159 770 K HN 0.639 nan 8.250 nan 0.000 0.424 771 L N 5.010 126.361 121.223 0.214 0.000 2.342 771 L HA 0.249 4.593 4.340 0.008 0.000 0.285 771 L C -0.899 175.979 176.870 0.013 0.000 1.095 771 L CA 0.549 55.385 54.840 -0.006 0.000 0.843 771 L CB 0.552 42.545 42.059 -0.111 0.000 1.201 771 L HN 0.808 nan 8.230 nan 0.000 0.445 772 D N 4.592 125.004 120.400 0.020 0.000 2.441 772 D HA 0.440 5.084 4.640 0.008 0.000 0.231 772 D C 0.724 177.031 176.300 0.012 0.000 1.073 772 D CA 0.747 54.768 54.000 0.036 0.000 0.850 772 D CB 1.482 42.323 40.800 0.069 0.000 1.062 772 D HN 0.866 nan 8.370 nan 0.000 0.524 773 G N 5.288 114.081 108.800 -0.013 0.000 2.565 773 G HA2 -0.321 3.643 3.960 0.008 0.000 0.295 773 G HA3 -0.321 3.643 3.960 0.008 0.000 0.295 773 G C 0.608 175.447 174.900 -0.101 0.000 1.165 773 G CA 0.592 45.672 45.100 -0.033 0.000 0.977 773 G HN 0.637 nan 8.290 nan 0.000 0.546 774 D N 0.406 120.715 120.400 -0.152 0.000 2.369 774 D HA 0.147 4.791 4.640 0.008 0.000 0.211 774 D C 0.383 176.410 176.300 -0.454 0.000 1.077 774 D CA 0.355 54.173 54.000 -0.303 0.000 0.842 774 D CB -0.040 40.550 40.800 -0.349 0.000 0.947 774 D HN 0.607 nan 8.370 nan 0.000 0.509 775 H N -0.206 118.783 119.070 -0.135 0.000 2.679 775 H HA 0.274 4.835 4.556 0.007 0.000 0.367 775 H C -0.901 174.355 175.328 -0.120 0.000 1.162 775 H CA -0.589 55.392 56.048 -0.113 0.000 1.181 775 H CB 1.294 31.039 29.762 -0.029 0.000 1.693 775 H HN -0.041 nan 8.280 nan 0.000 0.538 776 Y N 0.505 120.877 120.300 0.120 0.000 2.308 776 Y HA 0.263 4.818 4.550 0.008 0.000 0.329 776 Y C 0.435 176.407 175.900 0.120 0.000 1.111 776 Y CA -0.323 57.824 58.100 0.079 0.000 1.179 776 Y CB 1.585 40.008 38.460 -0.061 0.000 1.201 776 Y HN 0.210 nan 8.280 nan 0.000 0.483 777 V N 4.525 124.642 119.914 0.337 0.000 2.680 777 V HA 0.441 4.566 4.120 0.008 0.000 0.309 777 V C -0.919 175.357 176.094 0.304 0.000 1.052 777 V CA -0.897 61.554 62.300 0.251 0.000 0.908 777 V CB 1.932 33.852 31.823 0.161 0.000 1.001 777 V HN 0.502 nan 8.190 nan 0.000 0.431 778 V N 7.748 127.814 119.914 0.254 0.000 2.364 778 V HA 0.205 4.329 4.120 0.008 0.000 0.252 778 V C 1.455 177.605 176.094 0.092 0.000 1.075 778 V CA 0.824 63.237 62.300 0.188 0.000 1.033 778 V CB 0.111 32.022 31.823 0.146 0.000 1.116 778 V HN 1.122 nan 8.190 nan 0.000 0.488 779 A N 4.955 127.818 122.820 0.071 0.000 1.969 779 A HA 0.001 4.325 4.320 0.008 0.000 0.218 779 A C 1.114 178.678 177.584 -0.033 0.000 1.169 779 A CA 1.170 53.233 52.037 0.042 0.000 0.635 779 A CB 0.087 19.131 19.000 0.073 0.000 0.810 779 A HN 0.660 nan 8.150 nan 0.000 0.445 780 K N -1.915 118.420 120.400 -0.107 0.000 2.569 780 K HA 0.549 4.873 4.320 0.008 0.000 0.259 780 K C -1.944 174.483 176.600 -0.288 0.000 0.932 780 K CA -0.160 55.988 56.287 -0.232 0.000 0.833 780 K CB 1.687 33.966 32.500 -0.369 0.000 1.340 780 K HN 0.194 nan 8.250 nan 0.000 0.429 781 A N 3.761 126.439 122.820 -0.237 0.000 2.310 781 A HA 0.513 4.837 4.320 0.008 0.000 0.304 781 A C -1.558 176.018 177.584 -0.012 0.000 1.231 781 A CA -0.533 51.456 52.037 -0.079 0.000 0.799 781 A CB 0.163 19.130 19.000 -0.056 0.000 1.162 781 A HN 0.578 nan 8.150 nan 0.000 0.486 782 Y N 1.216 121.586 120.300 0.117 0.000 2.346 782 Y HA 0.470 5.024 4.550 0.008 0.000 0.330 782 Y C 0.804 176.753 175.900 0.081 0.000 1.178 782 Y CA 0.696 58.835 58.100 0.065 0.000 1.331 782 Y CB 1.275 39.722 38.460 -0.021 0.000 1.253 782 Y HN 0.874 nan 8.280 nan 0.000 0.529 783 A N 1.504 124.333 122.820 0.015 0.000 2.513 783 A HA 0.662 4.987 4.320 0.008 0.000 0.296 783 A C 0.052 177.403 177.584 -0.388 0.000 1.052 783 A CA -0.049 51.807 52.037 -0.301 0.000 0.714 783 A CB 0.779 19.325 19.000 -0.756 0.000 1.279 783 A HN 0.838 nan 8.150 nan 0.000 0.397 784 G N 0.012 108.580 108.800 -0.387 0.000 2.766 784 G HA2 0.403 4.368 3.960 0.008 0.000 0.206 784 G HA3 0.403 4.368 3.960 0.008 0.000 0.206 784 G C -0.450 174.206 174.900 -0.408 0.000 2.072 784 G CA 0.524 45.422 45.100 -0.337 0.000 0.798 784 G HN 0.665 nan 8.290 nan 0.000 0.703 785 D N -0.384 119.851 120.400 -0.275 0.000 2.396 785 D HA 0.265 4.909 4.640 0.008 0.000 0.225 785 D C 0.615 176.812 176.300 -0.171 0.000 1.121 785 D CA -0.672 53.209 54.000 -0.199 0.000 0.853 785 D CB 0.950 41.708 40.800 -0.070 0.000 1.043 785 D HN 0.195 nan 8.370 nan 0.000 0.500 786 Y N 1.768 122.002 120.300 -0.110 0.000 2.241 786 Y HA -0.217 4.338 4.550 0.007 0.000 0.286 786 Y C 2.535 178.396 175.900 -0.064 0.000 1.166 786 Y CA 1.085 59.110 58.100 -0.125 0.000 1.203 786 Y CB -0.248 38.118 38.460 -0.156 0.000 0.977 786 Y HN 0.357 nan 8.280 nan 0.000 0.529 787 S N -0.621 115.146 115.700 0.112 0.000 2.489 787 S HA -0.031 4.443 4.470 0.008 0.000 0.228 787 S C 0.663 175.291 174.600 0.047 0.000 0.995 787 S CA 0.012 58.252 58.200 0.067 0.000 0.934 787 S CB -0.288 62.943 63.200 0.052 0.000 0.771 787 S HN 0.319 nan 8.310 nan 0.000 0.522 788 N N 2.175 120.899 118.700 0.039 0.000 2.424 788 N HA 0.124 4.869 4.740 0.008 0.000 0.257 788 N C -0.031 175.511 175.510 0.053 0.000 1.250 788 N CA -0.019 53.059 53.050 0.046 0.000 0.946 788 N CB 0.316 38.837 38.487 0.057 0.000 1.175 788 N HN 0.339 nan 8.380 nan 0.000 0.477 789 E N -0.411 119.823 120.200 0.056 0.000 2.331 789 E HA 0.306 4.661 4.350 0.008 0.000 0.272 789 E C 0.196 176.849 176.600 0.088 0.000 1.036 789 E CA -0.412 56.018 56.400 0.050 0.000 0.864 789 E CB 0.295 30.004 29.700 0.016 0.000 1.035 789 E HN 0.719 nan 8.360 nan 0.000 0.408 790 G N 3.877 112.728 108.800 0.085 0.000 2.323 790 G HA2 -0.292 3.672 3.960 0.008 0.000 0.292 790 G HA3 -0.292 3.672 3.960 0.008 0.000 0.292 790 G C 0.127 175.136 174.900 0.182 0.000 1.040 790 G CA 0.757 45.932 45.100 0.125 0.000 0.942 790 G HN 0.706 nan 8.290 nan 0.000 0.506 791 E N -0.607 119.651 120.200 0.097 0.000 2.789 791 E HA 0.199 4.553 4.350 0.008 0.000 0.208 791 E C 0.608 177.187 176.600 -0.035 0.000 0.988 791 E CA 0.129 56.531 56.400 0.004 0.000 1.092 791 E CB 0.404 30.071 29.700 -0.055 0.000 1.066 791 E HN 0.816 nan 8.360 nan 0.000 0.465 792 K N -1.133 119.303 120.400 0.060 0.000 2.597 792 K HA 0.302 4.627 4.320 0.008 0.000 0.282 792 K C -0.662 176.105 176.600 0.277 0.000 0.975 792 K CA -0.803 55.569 56.287 0.141 0.000 0.867 792 K CB 1.360 33.908 32.500 0.081 0.000 1.465 792 K HN -0.083 nan 8.250 nan 0.000 0.417 793 S N 1.648 117.611 115.700 0.438 0.000 2.546 793 S HA 0.087 4.561 4.470 0.008 0.000 0.290 793 S C -1.159 173.606 174.600 0.275 0.000 1.290 793 S CA -1.023 57.353 58.200 0.294 0.000 1.069 793 S CB 0.279 63.582 63.200 0.171 0.000 0.846 793 S HN 0.544 nan 8.310 nan 0.000 0.495 794 P HA -0.126 nan 4.420 nan 0.000 0.222 794 P C 1.309 178.711 177.300 0.171 0.000 1.142 794 P CA 1.095 64.291 63.100 0.160 0.000 0.788 794 P CB -0.073 31.702 31.700 0.125 0.000 0.767 795 I N -1.756 118.864 120.570 0.084 0.000 2.493 795 I HA -0.198 3.976 4.170 0.008 0.000 0.254 795 I C 2.178 178.309 176.117 0.024 0.000 1.160 795 I CA 1.187 62.498 61.300 0.018 0.000 1.445 795 I CB -0.727 37.153 38.000 -0.200 0.000 1.086 795 I HN -0.173 nan 8.210 nan 0.000 0.433 796 F N 1.257 121.266 119.950 0.098 0.000 2.333 796 F HA -0.181 4.350 4.527 0.007 0.000 0.300 796 F C 2.285 178.104 175.800 0.032 0.000 1.083 796 F CA 1.079 59.123 58.000 0.073 0.000 1.395 796 F CB -0.352 38.723 39.000 0.126 0.000 1.056 796 F HN 0.110 nan 8.300 nan 0.000 0.529 797 E N -1.320 118.984 120.200 0.173 0.000 2.478 797 E HA -0.166 4.189 4.350 0.008 0.000 0.198 797 E C 0.708 177.197 176.600 -0.184 0.000 1.046 797 E CA 0.583 56.969 56.400 -0.023 0.000 0.870 797 E CB -0.131 29.503 29.700 -0.111 0.000 0.818 797 E HN 0.548 nan 8.360 nan 0.000 0.527 798 Y N -0.395 119.915 120.300 0.016 0.000 2.468 798 Y HA 0.193 4.748 4.550 0.007 0.000 0.268 798 Y C 1.524 177.413 175.900 -0.018 0.000 1.177 798 Y CA 0.247 58.337 58.100 -0.017 0.000 1.265 798 Y CB 1.138 39.567 38.460 -0.052 0.000 1.103 798 Y HN 0.092 nan 8.280 nan 0.000 0.522 799 G N 1.291 110.147 108.800 0.094 0.000 2.159 799 G HA2 -0.290 3.674 3.960 0.008 0.000 0.256 799 G HA3 -0.290 3.674 3.960 0.008 0.000 0.256 799 G C 0.097 175.034 174.900 0.062 0.000 0.977 799 G CA 0.416 45.556 45.100 0.067 0.000 0.652 799 G HN 0.461 nan 8.290 nan 0.000 0.531 800 I N -3.332 117.259 120.570 0.036 0.000 2.969 800 I HA 0.792 4.967 4.170 0.008 0.000 0.307 800 I C -1.268 174.778 176.117 -0.118 0.000 1.149 800 I CA -1.512 59.777 61.300 -0.019 0.000 1.008 800 I CB 2.312 40.246 38.000 -0.111 0.000 1.232 800 I HN -0.087 nan 8.210 nan 0.000 0.435 801 D N 5.298 125.671 120.400 -0.046 0.000 2.373 801 D HA 0.356 5.001 4.640 0.008 0.000 0.227 801 D C -1.732 174.477 176.300 -0.151 0.000 1.091 801 D CA -2.390 51.536 54.000 -0.123 0.000 0.840 801 D CB 1.870 42.800 40.800 0.217 0.000 1.060 801 D HN 0.414 nan 8.370 nan 0.000 0.502 802 P HA -0.047 nan 4.420 nan 0.000 0.234 802 P C 0.139 177.512 177.300 0.122 0.000 1.167 802 P CA 0.082 63.026 63.100 -0.260 0.000 0.763 802 P CB -0.019 31.489 31.700 -0.320 0.000 0.835 803 T N 0.807 115.415 114.554 0.090 0.000 2.866 803 T HA 0.256 4.611 4.350 0.008 0.000 0.293 803 T C 1.540 176.335 174.700 0.158 0.000 1.005 803 T CA 1.442 63.603 62.100 0.102 0.000 1.162 803 T CB -0.271 68.640 68.868 0.072 0.000 0.968 803 T HN 0.376 nan 8.240 nan 0.000 0.530 804 G N 2.296 111.161 108.800 0.108 0.000 2.205 804 G HA2 -0.272 3.692 3.960 0.008 0.000 0.261 804 G HA3 -0.272 3.692 3.960 0.008 0.000 0.261 804 G C 0.090 175.006 174.900 0.027 0.000 0.980 804 G CA -0.080 45.050 45.100 0.050 0.000 0.632 804 G HN 0.724 nan 8.290 nan 0.000 0.533 805 Y N 0.140 120.441 120.300 0.001 0.000 2.326 805 Y HA 0.581 5.135 4.550 0.008 0.000 0.333 805 Y C 1.352 177.259 175.900 0.011 0.000 1.240 805 Y CA -0.484 57.611 58.100 -0.009 0.000 1.365 805 Y CB 0.632 39.077 38.460 -0.024 0.000 1.289 805 Y HN 0.121 nan 8.280 nan 0.000 0.548 806 L N 4.048 125.348 121.223 0.129 0.000 2.325 806 L HA 0.391 4.736 4.340 0.008 0.000 0.279 806 L C -0.569 176.350 176.870 0.083 0.000 1.054 806 L CA -0.498 54.383 54.840 0.067 0.000 0.804 806 L CB 1.029 43.034 42.059 -0.089 0.000 1.200 806 L HN 0.473 nan 8.230 nan 0.000 0.436 807 I N 3.096 123.721 120.570 0.091 0.000 2.307 807 I HA 0.091 4.266 4.170 0.008 0.000 0.287 807 I C 0.983 177.129 176.117 0.048 0.000 1.054 807 I CA -0.316 61.005 61.300 0.036 0.000 1.218 807 I CB 1.225 39.198 38.000 -0.045 0.000 1.398 807 I HN 0.727 nan 8.210 nan 0.000 0.475 808 E N 4.680 124.893 120.200 0.021 0.000 2.028 808 E HA -0.063 4.292 4.350 0.008 0.000 0.190 808 E C 0.045 176.663 176.600 0.031 0.000 0.984 808 E CA 1.110 57.536 56.400 0.043 0.000 0.800 808 E CB 0.193 29.897 29.700 0.007 0.000 0.758 808 E HN 0.725 nan 8.360 nan 0.000 0.448 809 D N -1.001 119.389 120.400 -0.017 0.000 2.653 809 D HA 0.356 5.000 4.640 0.008 0.000 0.258 809 D C -0.616 175.642 176.300 -0.071 0.000 1.252 809 D CA -0.575 53.402 54.000 -0.039 0.000 0.777 809 D CB 1.317 42.101 40.800 -0.028 0.000 1.339 809 D HN -0.120 nan 8.370 nan 0.000 0.422 810 I N 0.510 121.031 120.570 -0.082 0.000 2.478 810 I HA 0.139 4.313 4.170 0.008 0.000 0.287 810 I C -0.404 175.670 176.117 -0.072 0.000 1.042 810 I CA -0.489 60.756 61.300 -0.092 0.000 1.067 810 I CB 1.659 39.584 38.000 -0.125 0.000 1.233 810 I HN 0.546 nan 8.210 nan 0.000 0.431 811 D N 5.245 125.608 120.400 -0.062 0.000 2.708 811 D HA -0.202 4.443 4.640 0.008 0.000 0.236 811 D C 1.102 177.376 176.300 -0.043 0.000 1.146 811 D CA 1.673 55.644 54.000 -0.049 0.000 0.662 811 D CB -0.710 40.063 40.800 -0.046 0.000 1.059 811 D HN 1.126 nan 8.370 nan 0.000 0.428 812 G N -0.109 108.665 108.800 -0.043 0.000 2.184 812 G HA2 -0.364 3.601 3.960 0.008 0.000 0.264 812 G HA3 -0.364 3.601 3.960 0.008 0.000 0.264 812 G C 0.100 174.979 174.900 -0.035 0.000 0.975 812 G CA 0.643 45.722 45.100 -0.035 0.000 0.642 812 G HN 0.763 nan 8.290 nan 0.000 0.536 813 E N 1.237 121.411 120.200 -0.044 0.000 2.146 813 E HA 0.536 4.890 4.350 0.008 0.000 0.282 813 E C 0.152 176.725 176.600 -0.045 0.000 0.989 813 E CA -0.357 56.016 56.400 -0.045 0.000 0.799 813 E CB 0.524 30.191 29.700 -0.055 0.000 1.088 813 E HN 0.086 nan 8.360 nan 0.000 0.397 814 T N 3.462 117.996 114.554 -0.032 0.000 2.916 814 T HA 0.220 4.575 4.350 0.008 0.000 0.303 814 T C -0.112 174.575 174.700 -0.023 0.000 1.025 814 T CA -0.315 61.774 62.100 -0.019 0.000 1.142 814 T CB 0.589 69.448 68.868 -0.015 0.000 0.947 814 T HN 0.397 nan 8.240 nan 0.000 0.544 815 V N 0.605 120.521 119.914 0.002 0.000 2.815 815 V HA 1.078 5.202 4.120 0.008 0.000 0.314 815 V C 0.369 176.531 176.094 0.113 0.000 1.064 815 V CA -0.179 62.147 62.300 0.044 0.000 0.952 815 V CB 1.375 33.184 31.823 -0.022 0.000 1.020 815 V HN 1.160 nan 8.190 nan 0.000 0.439 816 G N 1.275 110.134 108.800 0.099 0.000 2.373 816 G HA2 0.519 4.483 3.960 0.008 0.000 0.250 816 G HA3 0.519 4.483 3.960 0.008 0.000 0.250 816 G C 0.614 175.298 174.900 -0.361 0.000 1.304 816 G CA -0.024 44.919 45.100 -0.261 0.000 0.948 816 G HN 1.600 nan 8.290 nan 0.000 0.474 817 A N -0.612 121.993 122.820 -0.357 0.000 1.915 817 A HA 0.164 4.489 4.320 0.008 0.000 0.220 817 A C 2.347 179.835 177.584 -0.160 0.000 1.198 817 A CA 3.284 55.166 52.037 -0.257 0.000 0.647 817 A CB -0.962 17.911 19.000 -0.211 0.000 0.825 817 A HN 2.142 nan 8.150 nan 0.000 0.456 818 G N -2.101 106.620 108.800 -0.131 0.000 3.434 818 G HA2 0.403 4.367 3.960 0.008 0.000 0.258 818 G HA3 0.403 4.367 3.960 0.008 0.000 0.258 818 G C 0.130 174.995 174.900 -0.059 0.000 1.128 818 G CA 0.854 45.904 45.100 -0.084 0.000 0.792 818 G HN 0.556 nan 8.290 nan 0.000 0.539 819 S N 0.505 116.180 115.700 -0.043 0.000 2.673 819 S HA 0.231 4.705 4.470 0.008 0.000 0.256 819 S C -0.830 173.792 174.600 0.037 0.000 1.141 819 S CA -0.815 57.373 58.200 -0.021 0.000 1.109 819 S CB 0.456 63.637 63.200 -0.031 0.000 1.101 819 S HN 0.183 nan 8.310 nan 0.000 0.471 820 N N 4.695 123.392 118.700 -0.004 0.000 2.386 820 N HA -0.009 4.736 4.740 0.008 0.000 0.273 820 N C 1.154 176.562 175.510 -0.170 0.000 1.331 820 N CA 0.283 53.332 53.050 -0.002 0.000 0.891 820 N CB 0.192 38.636 38.487 -0.072 0.000 1.139 820 N HN 0.843 nan 8.380 nan 0.000 0.487 821 I N 4.631 124.990 120.570 -0.351 0.000 2.394 821 I HA -0.259 3.916 4.170 0.008 0.000 0.251 821 I C 0.799 176.519 176.117 -0.661 0.000 1.136 821 I CA 1.063 61.929 61.300 -0.724 0.000 1.425 821 I CB 0.041 37.136 38.000 -1.509 0.000 1.079 821 I HN 0.517 nan 8.210 nan 0.000 0.425 822 Y N 0.620 120.731 120.300 -0.315 0.000 2.224 822 Y HA -0.227 4.327 4.550 0.007 0.000 0.289 822 Y C 2.706 178.361 175.900 -0.407 0.000 1.146 822 Y CA 1.629 59.594 58.100 -0.225 0.000 1.182 822 Y CB -0.728 37.679 38.460 -0.089 0.000 0.983 822 Y HN 0.131 nan 8.280 nan 0.000 0.524 823 R N 0.165 120.301 120.500 -0.607 0.000 2.075 823 R HA -0.118 4.227 4.340 0.008 0.000 0.232 823 R C 2.010 178.041 176.300 -0.448 0.000 1.126 823 R CA 1.492 56.961 56.100 -1.051 0.000 0.963 823 R CB -0.513 29.101 30.300 -1.143 0.000 0.858 823 R HN 0.194 nan 8.270 nan 0.000 0.435 824 V N 1.480 121.196 119.914 -0.330 0.000 2.343 824 V HA -0.254 3.870 4.120 0.008 0.000 0.247 824 V C 2.360 178.353 176.094 -0.168 0.000 1.051 824 V CA 1.756 63.925 62.300 -0.219 0.000 1.036 824 V CB -0.382 31.311 31.823 -0.216 0.000 0.654 824 V HN 0.348 nan 8.190 nan 0.000 0.451 825 L N -0.296 120.818 121.223 -0.183 0.000 2.083 825 L HA -0.153 4.191 4.340 0.008 0.000 0.209 825 L C 2.618 179.468 176.870 -0.032 0.000 1.083 825 L CA 1.598 56.380 54.840 -0.097 0.000 0.752 825 L CB -0.686 41.328 42.059 -0.075 0.000 0.899 825 L HN 0.301 nan 8.230 nan 0.000 0.433 826 S N -0.160 115.524 115.700 -0.026 0.000 2.370 826 S HA -0.214 4.261 4.470 0.008 0.000 0.226 826 S C 1.764 176.388 174.600 0.040 0.000 1.033 826 S CA 1.428 59.660 58.200 0.054 0.000 1.011 826 S CB -0.257 63.031 63.200 0.147 0.000 0.852 826 S HN 0.483 nan 8.310 nan 0.000 0.457 827 E N 0.424 120.620 120.200 -0.007 0.000 2.347 827 E HA -0.023 4.331 4.350 0.008 0.000 0.196 827 E C 1.402 178.000 176.600 -0.004 0.000 1.008 827 E CA 0.576 56.975 56.400 -0.001 0.000 0.852 827 E CB 0.145 29.827 29.700 -0.029 0.000 0.783 827 E HN 0.219 nan 8.360 nan 0.000 0.505 828 K N -0.023 120.370 120.400 -0.012 0.000 2.355 828 K HA 0.238 4.563 4.320 0.008 0.000 0.198 828 K C 0.336 176.940 176.600 0.007 0.000 1.039 828 K CA -0.009 56.273 56.287 -0.009 0.000 1.075 828 K CB 0.645 33.129 32.500 -0.027 0.000 0.870 828 K HN -0.016 nan 8.250 nan 0.000 0.540 829 A N 1.009 123.841 122.820 0.020 0.000 2.584 829 A HA 0.313 4.638 4.320 0.008 0.000 0.239 829 A C 1.262 178.863 177.584 0.028 0.000 1.043 829 A CA 1.364 53.420 52.037 0.032 0.000 0.756 829 A CB -0.549 18.481 19.000 0.049 0.000 0.963 829 A HN 0.578 nan 8.150 nan 0.000 0.511 830 G N 1.361 110.178 108.800 0.028 0.000 2.159 830 G HA2 -0.038 3.926 3.960 0.008 0.000 0.256 830 G HA3 -0.038 3.926 3.960 0.008 0.000 0.256 830 G C 0.478 175.390 174.900 0.020 0.000 0.977 830 G CA 1.098 46.213 45.100 0.024 0.000 0.652 830 G HN 2.621 nan 8.290 nan 0.000 0.531 831 T N -2.952 111.613 114.554 0.018 0.000 2.838 831 T HA 0.746 5.100 4.350 0.008 0.000 0.292 831 T C -0.380 174.330 174.700 0.016 0.000 1.113 831 T CA 0.241 62.350 62.100 0.015 0.000 1.008 831 T CB 2.083 70.956 68.868 0.008 0.000 1.259 831 T HN 0.560 nan 8.240 nan 0.000 0.520 832 S N 0.605 116.315 115.700 0.016 0.000 2.429 832 S HA 0.763 5.238 4.470 0.008 0.000 0.302 832 S C -0.209 174.393 174.600 0.003 0.000 1.115 832 S CA -0.649 57.563 58.200 0.020 0.000 1.095 832 S CB 0.655 63.875 63.200 0.034 0.000 0.987 832 S HN 1.067 nan 8.310 nan 0.000 0.474 833 A N 3.015 125.830 122.820 -0.009 0.000 2.356 833 A HA 0.699 5.024 4.320 0.008 0.000 0.323 833 A C -0.142 177.414 177.584 -0.047 0.000 1.119 833 A CA -0.905 51.115 52.037 -0.028 0.000 0.790 833 A CB 0.848 19.826 19.000 -0.038 0.000 1.273 833 A HN 0.803 nan 8.150 nan 0.000 0.452 834 R N 1.877 122.345 120.500 -0.054 0.000 2.296 834 R HA 0.449 4.793 4.340 0.008 0.000 0.323 834 R C -1.225 175.024 176.300 -0.086 0.000 1.067 834 R CA 0.106 56.161 56.100 -0.074 0.000 0.946 834 R CB -0.087 30.176 30.300 -0.061 0.000 0.991 834 R HN 0.621 nan 8.270 nan 0.000 0.448 835 I N 4.363 124.866 120.570 -0.112 0.000 2.378 835 I HA 0.315 4.489 4.170 0.008 0.000 0.291 835 I C -0.153 175.896 176.117 -0.114 0.000 0.992 835 I CA -1.137 60.097 61.300 -0.110 0.000 1.154 835 I CB 1.813 39.743 38.000 -0.116 0.000 1.315 835 I HN 0.471 nan 8.210 nan 0.000 0.448 836 R N 6.823 127.273 120.500 -0.084 0.000 2.255 836 R HA 0.633 4.977 4.340 0.008 0.000 0.326 836 R C -1.590 174.681 176.300 -0.048 0.000 0.986 836 R CA -0.153 55.907 56.100 -0.066 0.000 0.847 836 R CB 0.518 30.791 30.300 -0.045 0.000 1.111 836 R HN 0.577 nan 8.270 nan 0.000 0.452 837 L N 2.380 123.578 121.223 -0.041 0.000 2.342 837 L HA 0.564 4.908 4.340 0.008 0.000 0.271 837 L C -0.365 176.573 176.870 0.114 0.000 1.008 837 L CA -0.833 54.022 54.840 0.025 0.000 0.818 837 L CB 2.408 44.431 42.059 -0.060 0.000 1.296 837 L HN 0.596 nan 8.230 nan 0.000 0.427 838 S N 0.482 116.278 115.700 0.160 0.000 2.519 838 S HA 0.660 5.134 4.470 0.008 0.000 0.309 838 S C 0.035 174.648 174.600 0.021 0.000 1.100 838 S CA -0.598 57.652 58.200 0.083 0.000 1.059 838 S CB 1.832 65.005 63.200 -0.045 0.000 1.008 838 S HN 0.771 nan 8.310 nan 0.000 0.478 839 G N 1.338 110.050 108.800 -0.146 0.000 2.488 839 G HA2 0.469 4.433 3.960 0.008 0.000 0.318 839 G HA3 0.469 4.433 3.960 0.008 0.000 0.318 839 G C -0.679 174.017 174.900 -0.340 0.000 1.188 839 G CA -0.765 43.940 45.100 -0.658 0.000 0.944 839 G HN 0.597 nan 8.290 nan 0.000 0.495 840 K N 0.600 120.796 120.400 -0.341 0.000 2.294 840 K HA 0.480 4.804 4.320 0.008 0.000 0.288 840 K C 0.771 177.286 176.600 -0.142 0.000 1.072 840 K CA 0.934 57.108 56.287 -0.189 0.000 0.960 840 K CB -0.419 31.988 32.500 -0.155 0.000 1.043 840 K HN 0.977 nan 8.250 nan 0.000 0.455 841 G N 2.231 110.968 108.800 -0.105 0.000 2.233 841 G HA2 -0.093 3.872 3.960 0.008 0.000 0.162 841 G HA3 -0.093 3.872 3.960 0.008 0.000 0.162 841 G C 0.280 175.146 174.900 -0.058 0.000 1.327 841 G CA -0.332 44.725 45.100 -0.071 0.000 1.187 841 G HN 0.512 nan 8.290 nan 0.000 0.479 842 G N -0.189 108.587 108.800 -0.041 0.000 3.277 842 G HA2 0.400 4.365 3.960 0.008 0.000 0.243 842 G HA3 0.400 4.365 3.960 0.008 0.000 0.243 842 G C 0.058 174.950 174.900 -0.014 0.000 1.107 842 G CA 1.052 46.136 45.100 -0.027 0.000 0.771 842 G HN 0.617 nan 8.290 nan 0.000 0.544 843 D N 1.554 121.945 120.400 -0.016 0.000 2.382 843 D HA 0.204 4.849 4.640 0.008 0.000 0.259 843 D C 0.058 176.396 176.300 0.063 0.000 1.224 843 D CA 0.497 54.515 54.000 0.029 0.000 0.894 843 D CB 0.438 41.265 40.800 0.044 0.000 1.127 843 D HN 0.124 nan 8.370 nan 0.000 0.487 844 K N 3.917 124.353 120.400 0.061 0.000 2.371 844 K HA 0.554 4.878 4.320 0.008 0.000 0.251 844 K C -0.293 176.327 176.600 0.034 0.000 0.934 844 K CA -1.029 55.289 56.287 0.051 0.000 0.798 844 K CB 2.339 34.846 32.500 0.013 0.000 1.204 844 K HN 0.256 nan 8.250 nan 0.000 0.427 845 R N 1.496 122.000 120.500 0.006 0.000 2.686 845 R HA 0.311 4.655 4.340 0.008 0.000 0.283 845 R C -1.340 174.901 176.300 -0.099 0.000 0.978 845 R CA -0.892 55.170 56.100 -0.063 0.000 0.897 845 R CB 1.728 31.952 30.300 -0.128 0.000 1.192 845 R HN 0.603 nan 8.270 nan 0.000 0.457 846 D N 3.456 123.782 120.400 -0.123 0.000 2.440 846 D HA 0.415 5.060 4.640 0.008 0.000 0.252 846 D C -0.962 175.210 176.300 -0.214 0.000 1.180 846 D CA -0.332 53.589 54.000 -0.132 0.000 0.894 846 D CB 0.594 41.344 40.800 -0.084 0.000 1.111 846 D HN 0.372 nan 8.370 nan 0.000 0.544 847 L N 1.714 122.762 121.223 -0.291 0.000 2.388 847 L HA 0.544 4.889 4.340 0.008 0.000 0.264 847 L C -0.010 176.659 176.870 -0.335 0.000 0.998 847 L CA -1.057 53.487 54.840 -0.494 0.000 0.817 847 L CB 2.159 43.687 42.059 -0.886 0.000 1.338 847 L HN 0.078 nan 8.230 nan 0.000 0.414 848 M N 3.986 123.426 119.600 -0.266 0.000 2.135 848 M HA 0.384 4.868 4.480 0.008 0.000 0.345 848 M C -0.633 175.677 176.300 0.016 0.000 1.340 848 M CA -0.218 55.045 55.300 -0.061 0.000 1.162 848 M CB 0.279 32.903 32.600 0.039 0.000 1.570 848 M HN 0.307 nan 8.290 nan 0.000 0.454 849 I N 3.093 123.657 120.570 -0.009 0.000 2.377 849 I HA 0.239 4.413 4.170 0.008 0.000 0.293 849 I C 0.113 176.264 176.117 0.058 0.000 0.987 849 I CA -0.730 60.603 61.300 0.054 0.000 1.185 849 I CB 1.467 39.466 38.000 -0.002 0.000 1.341 849 I HN 0.427 nan 8.210 nan 0.000 0.455 850 D N 6.312 126.763 120.400 0.085 0.000 2.401 850 D HA 0.139 4.784 4.640 0.008 0.000 0.254 850 D C 0.192 176.524 176.300 0.052 0.000 1.192 850 D CA 0.072 54.109 54.000 0.062 0.000 0.885 850 D CB 1.287 42.126 40.800 0.065 0.000 1.147 850 D HN 0.126 nan 8.370 nan 0.000 0.478 851 I N 4.014 124.607 120.570 0.038 0.000 2.291 851 I HA 0.138 4.313 4.170 0.008 0.000 0.292 851 I C 0.729 176.871 176.117 0.042 0.000 1.064 851 I CA -0.427 60.895 61.300 0.037 0.000 1.269 851 I CB 0.053 38.066 38.000 0.021 0.000 1.418 851 I HN 0.115 nan 8.210 nan 0.000 0.485 852 L N 5.434 126.688 121.223 0.050 0.000 2.464 852 L HA 0.194 4.539 4.340 0.008 0.000 0.264 852 L C 1.075 177.973 176.870 0.047 0.000 1.199 852 L CA -0.306 54.562 54.840 0.047 0.000 0.818 852 L CB 0.546 42.634 42.059 0.049 0.000 1.102 852 L HN 0.434 nan 8.230 nan 0.000 0.473 853 D N -0.209 120.216 120.400 0.041 0.000 2.348 853 D HA 0.047 4.691 4.640 0.008 0.000 0.211 853 D C -0.191 176.133 176.300 0.040 0.000 0.998 853 D CA 0.796 54.823 54.000 0.044 0.000 0.873 853 D CB 0.193 41.015 40.800 0.038 0.000 0.925 853 D HN 0.516 nan 8.370 nan 0.000 0.524 854 D N -0.678 119.741 120.400 0.032 0.000 2.685 854 D HA 0.136 4.781 4.640 0.008 0.000 0.236 854 D C -1.563 174.743 176.300 0.010 0.000 1.233 854 D CA -0.619 53.390 54.000 0.015 0.000 0.760 854 D CB 1.324 42.129 40.800 0.009 0.000 1.410 854 D HN -0.162 nan 8.370 nan 0.000 0.439 855 D N 1.318 121.704 120.400 -0.023 0.000 2.712 855 D HA 0.117 4.761 4.640 0.008 0.000 0.300 855 D C 1.136 177.375 176.300 -0.102 0.000 1.521 855 D CA -0.348 53.628 54.000 -0.040 0.000 0.790 855 D CB 0.180 40.949 40.800 -0.053 0.000 1.155 855 D HN 0.255 nan 8.370 nan 0.000 0.456 856 R N -0.028 120.423 120.500 -0.081 0.000 2.081 856 R HA -0.018 4.326 4.340 0.008 0.000 0.235 856 R C 1.445 177.699 176.300 -0.076 0.000 1.131 856 R CA 1.253 57.276 56.100 -0.129 0.000 0.960 856 R CB -0.811 29.425 30.300 -0.106 0.000 0.856 856 R HN 0.186 nan 8.270 nan 0.000 0.436 857 F N 0.508 120.391 119.950 -0.111 0.000 2.186 857 F HA -0.007 4.524 4.527 0.008 0.000 0.299 857 F C 1.702 177.501 175.800 -0.002 0.000 1.090 857 F CA 1.317 59.289 58.000 -0.045 0.000 1.307 857 F CB -0.085 38.882 39.000 -0.054 0.000 1.019 857 F HN 0.022 nan 8.300 nan 0.000 0.489 858 I N -0.176 120.347 120.570 -0.079 0.000 2.252 858 I HA -0.263 3.911 4.170 0.008 0.000 0.245 858 I C 2.448 178.434 176.117 -0.218 0.000 1.102 858 I CA 1.193 62.408 61.300 -0.142 0.000 1.385 858 I CB -0.488 37.497 38.000 -0.025 0.000 1.064 858 I HN -0.006 nan 8.210 nan 0.000 0.414 859 R N -0.288 120.032 120.500 -0.300 0.000 2.120 859 R HA -0.213 4.131 4.340 0.008 0.000 0.234 859 R C 2.358 178.475 176.300 -0.304 0.000 1.123 859 R CA 1.629 57.464 56.100 -0.442 0.000 0.975 859 R CB -0.488 29.447 30.300 -0.607 0.000 0.866 859 R HN 0.376 nan 8.270 nan 0.000 0.446 860 Y N 1.416 121.453 120.300 -0.438 0.000 2.133 860 Y HA -0.145 4.410 4.550 0.008 0.000 0.287 860 Y C 2.171 177.912 175.900 -0.266 0.000 1.134 860 Y CA 1.337 59.161 58.100 -0.460 0.000 1.133 860 Y CB 0.028 38.183 38.460 -0.508 0.000 0.987 860 Y HN -0.197 nan 8.280 nan 0.000 0.502 861 R N -0.056 120.114 120.500 -0.549 0.000 2.120 861 R HA -0.151 4.194 4.340 0.008 0.000 0.234 861 R C 2.640 178.729 176.300 -0.351 0.000 1.123 861 R CA 1.240 57.025 56.100 -0.526 0.000 0.975 861 R CB -1.173 28.823 30.300 -0.505 0.000 0.866 861 R HN 0.430 nan 8.270 nan 0.000 0.446 862 S N -0.098 115.458 115.700 -0.241 0.000 2.368 862 S HA -0.160 4.315 4.470 0.008 0.000 0.224 862 S C 1.720 176.257 174.600 -0.105 0.000 1.029 862 S CA 0.906 59.030 58.200 -0.127 0.000 0.988 862 S CB -0.272 62.967 63.200 0.065 0.000 0.838 862 S HN 0.543 nan 8.310 nan 0.000 0.462 863 W N 1.824 122.942 121.300 -0.303 0.000 2.358 863 W HA -0.097 4.567 4.660 0.008 0.000 0.303 863 W C 1.956 178.290 176.519 -0.309 0.000 1.208 863 W CA 1.566 58.739 57.345 -0.287 0.000 1.274 863 W CB -0.624 28.624 29.460 -0.354 0.000 1.138 863 W HN 0.120 nan 8.180 nan 0.000 0.515 864 V N 1.032 120.788 119.914 -0.264 0.000 2.295 864 V HA -0.277 3.847 4.120 0.008 0.000 0.246 864 V C 2.401 178.317 176.094 -0.295 0.000 1.049 864 V CA 2.279 64.398 62.300 -0.302 0.000 1.024 864 V CB -0.856 30.806 31.823 -0.268 0.000 0.648 864 V HN 0.091 nan 8.190 nan 0.000 0.447 865 E N 0.218 120.261 120.200 -0.261 0.000 2.204 865 E HA -0.139 4.216 4.350 0.008 0.000 0.194 865 E C 2.288 178.721 176.600 -0.278 0.000 0.989 865 E CA 1.355 57.618 56.400 -0.228 0.000 0.824 865 E CB -0.428 29.149 29.700 -0.205 0.000 0.756 865 E HN 0.586 nan 8.360 nan 0.000 0.477 866 A N 1.446 124.072 122.820 -0.323 0.000 1.873 866 A HA -0.172 4.153 4.320 0.008 0.000 0.215 866 A C 1.980 179.314 177.584 -0.417 0.000 1.186 866 A CA 1.501 53.348 52.037 -0.317 0.000 0.616 866 A CB -0.744 18.075 19.000 -0.301 0.000 0.823 866 A HN 0.269 nan 8.150 nan 0.000 0.442 867 N N -1.057 117.248 118.700 -0.658 0.000 2.166 867 N HA -0.172 4.573 4.740 0.008 0.000 0.186 867 N C 2.069 177.076 175.510 -0.838 0.000 1.019 867 N CA 1.052 53.590 53.050 -0.854 0.000 0.856 867 N CB -0.142 37.535 38.487 -1.350 0.000 0.993 867 N HN 0.509 nan 8.380 nan 0.000 0.426 868 R N 1.560 121.644 120.500 -0.694 0.000 2.073 868 R HA -0.050 4.295 4.340 0.008 0.000 0.234 868 R C 2.087 177.987 176.300 -0.667 0.000 1.134 868 R CA 1.254 57.002 56.100 -0.586 0.000 0.952 868 R CB 0.054 30.168 30.300 -0.311 0.000 0.850 868 R HN 0.200 nan 8.270 nan 0.000 0.433 869 R N -0.842 119.423 120.500 -0.391 0.000 2.073 869 R HA -0.191 4.154 4.340 0.008 0.000 0.234 869 R C 2.304 178.495 176.300 -0.183 0.000 1.134 869 R CA 1.733 57.697 56.100 -0.227 0.000 0.952 869 R CB -0.680 29.554 30.300 -0.110 0.000 0.850 869 R HN 0.308 nan 8.270 nan 0.000 0.433 870 Y N 1.544 121.659 120.300 -0.308 0.000 2.151 870 Y HA -0.268 4.286 4.550 0.008 0.000 0.284 870 Y C 2.141 177.896 175.900 -0.241 0.000 1.166 870 Y CA 1.422 59.369 58.100 -0.255 0.000 1.163 870 Y CB -0.310 37.972 38.460 -0.297 0.000 0.974 870 Y HN -0.223 nan 8.280 nan 0.000 0.511 871 V N -0.104 119.603 119.914 -0.345 0.000 2.358 871 V HA -0.314 3.810 4.120 0.008 0.000 0.246 871 V C 2.356 178.318 176.094 -0.219 0.000 1.047 871 V CA 2.249 64.352 62.300 -0.328 0.000 1.035 871 V CB -0.789 30.863 31.823 -0.284 0.000 0.658 871 V HN 0.459 nan 8.190 nan 0.000 0.452 872 H N 0.497 119.423 119.070 -0.239 0.000 2.321 872 H HA -0.127 4.433 4.556 0.008 0.000 0.300 872 H C 2.366 177.600 175.328 -0.155 0.000 1.087 872 H CA 1.812 57.748 56.048 -0.186 0.000 1.319 872 H CB -0.326 29.367 29.762 -0.115 0.000 1.379 872 H HN 0.557 nan 8.280 nan 0.000 0.501 873 E N 0.326 120.492 120.200 -0.056 0.000 2.031 873 E HA -0.141 4.213 4.350 0.008 0.000 0.193 873 E C 2.405 178.899 176.600 -0.178 0.000 0.994 873 E CA 0.692 57.029 56.400 -0.106 0.000 0.800 873 E CB 0.006 29.635 29.700 -0.119 0.000 0.752 873 E HN 0.246 nan 8.360 nan 0.000 0.447 874 R N 0.755 121.053 120.500 -0.337 0.000 2.148 874 R HA -0.079 4.266 4.340 0.008 0.000 0.227 874 R C 2.030 178.212 176.300 -0.197 0.000 1.103 874 R CA 1.492 57.390 56.100 -0.336 0.000 0.983 874 R CB 0.017 29.963 30.300 -0.590 0.000 0.874 874 R HN 0.163 nan 8.270 nan 0.000 0.451 875 S N -0.055 115.552 115.700 -0.156 0.000 2.593 875 S HA 0.106 4.580 4.470 0.008 0.000 0.217 875 S C 0.233 174.807 174.600 -0.043 0.000 0.966 875 S CA -0.198 57.951 58.200 -0.085 0.000 0.914 875 S CB 0.383 63.545 63.200 -0.062 0.000 0.776 875 S HN 0.144 nan 8.310 nan 0.000 0.523 876 K N 0.627 120.998 120.400 -0.048 0.000 3.071 876 K HA -0.175 4.150 4.320 0.008 0.000 0.265 876 K C 0.904 177.508 176.600 0.007 0.000 1.060 876 K CA 0.737 57.010 56.287 -0.023 0.000 0.767 876 K CB -2.485 30.000 32.500 -0.025 0.000 1.241 876 K HN 1.264 nan 8.250 nan 0.000 0.486 877 G N -1.010 107.808 108.800 0.029 0.000 2.148 877 G HA2 -0.386 3.578 3.960 0.008 0.000 0.254 877 G HA3 -0.386 3.578 3.960 0.008 0.000 0.254 877 G C 0.711 175.723 174.900 0.188 0.000 0.981 877 G CA 1.637 46.789 45.100 0.087 0.000 0.670 877 G HN 0.716 nan 8.290 nan 0.000 0.528 878 T N -2.210 112.419 114.554 0.127 0.000 3.037 878 T HA 0.583 4.937 4.350 0.008 0.000 0.251 878 T C 0.967 175.777 174.700 0.183 0.000 1.079 878 T CA 0.633 62.828 62.100 0.158 0.000 1.067 878 T CB 0.489 69.396 68.868 0.065 0.000 0.948 878 T HN 0.481 nan 8.240 nan 0.000 0.496 879 I N 1.500 122.090 120.570 0.032 0.000 2.474 879 I HA 0.642 4.816 4.170 0.008 0.000 0.294 879 I C 0.613 176.498 176.117 -0.385 0.000 1.005 879 I CA -1.384 59.876 61.300 -0.068 0.000 1.113 879 I CB 2.074 40.056 38.000 -0.030 0.000 1.289 879 I HN 0.208 nan 8.210 nan 0.000 0.436 880 G N 3.707 112.303 108.800 -0.340 0.000 2.488 880 G HA2 0.526 4.490 3.960 0.008 0.000 0.318 880 G HA3 0.526 4.490 3.960 0.008 0.000 0.318 880 G C -1.965 172.925 174.900 -0.017 0.000 1.188 880 G CA -0.245 44.630 45.100 -0.374 0.000 0.944 880 G HN 0.517 nan 8.290 nan 0.000 0.495 881 Y N -0.532 119.692 120.300 -0.127 0.000 2.504 881 Y HA 0.709 5.264 4.550 0.007 0.000 0.344 881 Y C -0.987 174.903 175.900 -0.016 0.000 1.023 881 Y CA -1.149 56.902 58.100 -0.081 0.000 1.020 881 Y CB 1.874 40.230 38.460 -0.175 0.000 1.282 881 Y HN 0.450 nan 8.280 nan 0.000 0.454 882 I N 5.721 125.862 120.570 -0.716 0.000 2.644 882 I HA 0.247 4.422 4.170 0.008 0.000 0.291 882 I C -1.453 174.339 176.117 -0.542 0.000 1.180 882 I CA -0.746 60.291 61.300 -0.440 0.000 1.040 882 I CB 2.262 40.174 38.000 -0.147 0.000 1.255 882 I HN 0.653 nan 8.210 nan 0.000 0.422 883 H N 6.784 125.686 119.070 -0.281 0.000 2.492 883 H HA 0.611 5.172 4.556 0.007 0.000 0.345 883 H C -1.456 173.974 175.328 0.172 0.000 1.136 883 H CA -0.668 55.383 56.048 0.005 0.000 1.202 883 H CB 2.155 32.124 29.762 0.345 0.000 1.524 883 H HN 0.478 nan 8.280 nan 0.000 0.506 884 I N 7.837 128.036 120.570 -0.617 0.000 2.437 884 I HA 0.182 4.357 4.170 0.008 0.000 0.279 884 I C -1.741 174.110 176.117 -0.443 0.000 1.028 884 I CA -2.034 59.057 61.300 -0.348 0.000 1.142 884 I CB 2.097 39.890 38.000 -0.344 0.000 1.266 884 I HN 0.460 nan 8.210 nan 0.000 0.461 885 P HA -0.105 nan 4.420 nan 0.000 0.218 885 P C -0.243 177.101 177.300 0.073 0.000 1.149 885 P CA 1.478 64.686 63.100 0.181 0.000 0.817 885 P CB 0.157 31.942 31.700 0.142 0.000 0.785 886 D N -2.810 117.593 120.400 0.004 0.000 2.768 886 D HA 0.170 4.814 4.640 0.008 0.000 0.327 886 D C -0.070 176.197 176.300 -0.056 0.000 1.302 886 D CA -0.603 53.406 54.000 0.015 0.000 0.897 886 D CB -0.202 40.664 40.800 0.111 0.000 1.420 886 D HN -0.335 nan 8.370 nan 0.000 0.494 887 M N 0.604 120.178 119.600 -0.043 0.000 2.771 887 M HA 0.459 4.943 4.480 0.008 0.000 0.341 887 M C 0.493 176.666 176.300 -0.213 0.000 1.226 887 M CA -0.254 54.957 55.300 -0.148 0.000 0.955 887 M CB 0.165 32.693 32.600 -0.120 0.000 1.318 887 M HN 0.586 nan 8.290 nan 0.000 0.514 888 G N 0.032 108.749 108.800 -0.138 0.000 3.008 888 G HA2 0.465 4.430 3.960 0.008 0.000 0.181 888 G HA3 0.465 4.430 3.960 0.008 0.000 0.181 888 G C 0.835 175.475 174.900 -0.433 0.000 1.309 888 G CA -0.307 44.565 45.100 -0.380 0.000 1.009 888 G HN 0.101 nan 8.290 nan 0.000 0.584 889 M N -0.090 119.128 119.600 -0.636 0.000 2.229 889 M HA 0.054 4.539 4.480 0.008 0.000 0.264 889 M C 2.347 178.725 176.300 0.129 0.000 1.063 889 M CA 1.100 56.274 55.300 -0.210 0.000 1.114 889 M CB -1.061 31.427 32.600 -0.187 0.000 1.387 889 M HN 0.583 nan 8.290 nan 0.000 0.420 890 M N -0.107 119.645 119.600 0.254 0.000 2.156 890 M HA -0.059 4.425 4.480 0.008 0.000 0.264 890 M C 2.020 178.414 176.300 0.158 0.000 1.067 890 M CA 1.842 57.282 55.300 0.234 0.000 1.131 890 M CB -0.483 32.161 32.600 0.073 0.000 1.368 890 M HN 0.280 nan 8.290 nan 0.000 0.416 891 G N 1.026 109.870 108.800 0.074 0.000 2.446 891 G HA2 -0.250 3.715 3.960 0.008 0.000 0.217 891 G HA3 -0.250 3.715 3.960 0.008 0.000 0.217 891 G C 1.278 176.200 174.900 0.036 0.000 1.168 891 G CA 0.823 45.927 45.100 0.007 0.000 0.771 891 G HN 0.377 nan 8.290 nan 0.000 0.551 892 L N 1.204 122.437 121.223 0.016 0.000 2.012 892 L HA -0.047 4.298 4.340 0.008 0.000 0.210 892 L C 2.570 179.613 176.870 0.287 0.000 1.073 892 L CA 1.455 56.365 54.840 0.117 0.000 0.748 892 L CB -0.860 41.243 42.059 0.074 0.000 0.891 892 L HN 0.149 nan 8.230 nan 0.000 0.431 893 N N -0.300 118.543 118.700 0.238 0.000 2.025 893 N HA -0.180 4.565 4.740 0.008 0.000 0.194 893 N C 1.662 177.334 175.510 0.271 0.000 1.044 893 N CA 1.468 54.672 53.050 0.257 0.000 0.851 893 N CB -0.314 38.315 38.487 0.236 0.000 1.036 893 N HN 0.330 nan 8.380 nan 0.000 0.422 894 E N 0.321 120.684 120.200 0.272 0.000 2.153 894 E HA -0.122 4.233 4.350 0.008 0.000 0.194 894 E C 1.861 178.584 176.600 0.204 0.000 0.988 894 E CA 0.304 56.873 56.400 0.281 0.000 0.811 894 E CB -0.590 29.335 29.700 0.374 0.000 0.746 894 E HN 0.435 nan 8.360 nan 0.000 0.466 895 F N 0.537 120.496 119.950 0.016 0.000 2.075 895 F HA -0.244 4.287 4.527 0.007 0.000 0.297 895 F C 2.116 177.882 175.800 -0.057 0.000 1.113 895 F CA 1.487 59.416 58.000 -0.120 0.000 1.218 895 F CB -0.387 38.400 39.000 -0.354 0.000 0.984 895 F HN -0.058 nan 8.300 nan 0.000 0.472 896 Y N 0.131 120.447 120.300 0.025 0.000 2.293 896 Y HA -0.149 4.405 4.550 0.007 0.000 0.291 896 Y C 2.666 178.580 175.900 0.024 0.000 1.137 896 Y CA 1.338 59.429 58.100 -0.014 0.000 1.202 896 Y CB -0.503 38.018 38.460 0.102 0.000 0.990 896 Y HN 0.032 nan 8.280 nan 0.000 0.537 897 R N 0.131 120.749 120.500 0.196 0.000 2.117 897 R HA -0.207 4.138 4.340 0.008 0.000 0.243 897 R C 1.311 177.667 176.300 0.094 0.000 1.143 897 R CA 1.745 57.933 56.100 0.146 0.000 0.968 897 R CB -0.263 30.133 30.300 0.160 0.000 0.863 897 R HN 0.290 nan 8.270 nan 0.000 0.444 898 L N -1.146 120.106 121.223 0.048 0.000 2.470 898 L HA 0.109 4.454 4.340 0.008 0.000 0.219 898 L C 1.682 178.543 176.870 -0.014 0.000 1.071 898 L CA 0.577 55.432 54.840 0.025 0.000 0.850 898 L CB -0.410 41.660 42.059 0.019 0.000 1.040 898 L HN 0.099 nan 8.230 nan 0.000 0.475 899 F N 1.553 121.324 119.950 -0.298 0.000 2.126 899 F HA -0.245 4.287 4.527 0.008 0.000 0.299 899 F C 2.288 178.025 175.800 -0.105 0.000 1.096 899 F CA 2.022 59.810 58.000 -0.353 0.000 1.255 899 F CB -0.180 38.345 39.000 -0.792 0.000 0.997 899 F HN 0.158 nan 8.300 nan 0.000 0.479 900 I N -1.647 118.946 120.570 0.039 0.000 2.700 900 I HA -0.209 3.965 4.170 0.008 0.000 0.261 900 I C 1.177 177.251 176.117 -0.072 0.000 1.219 900 I CA 1.592 62.883 61.300 -0.014 0.000 1.463 900 I CB -0.576 37.478 38.000 0.089 0.000 1.092 900 I HN 0.172 nan 8.210 nan 0.000 0.452 901 N N 0.482 119.159 118.700 -0.038 0.000 2.332 901 N HA 0.043 4.787 4.740 0.008 0.000 0.190 901 N C 1.201 176.760 175.510 0.081 0.000 1.117 901 N CA 0.326 53.384 53.050 0.014 0.000 0.883 901 N CB 0.401 38.928 38.487 0.068 0.000 1.089 901 N HN 0.437 nan 8.380 nan 0.000 0.480 902 E N 0.351 120.583 120.200 0.053 0.000 2.473 902 E HA 0.089 4.443 4.350 0.008 0.000 0.204 902 E C 1.267 177.948 176.600 0.134 0.000 0.994 902 E CA 0.179 56.696 56.400 0.195 0.000 0.945 902 E CB 0.292 30.064 29.700 0.119 0.000 0.990 902 E HN 0.228 nan 8.360 nan 0.000 0.493 903 S N -0.240 115.367 115.700 -0.156 0.000 2.607 903 S HA 0.080 4.554 4.470 0.008 0.000 0.224 903 S C 1.465 176.021 174.600 -0.074 0.000 0.969 903 S CA 0.102 58.178 58.200 -0.207 0.000 0.927 903 S CB 0.070 62.820 63.200 -0.751 0.000 0.772 903 S HN -0.125 nan 8.310 nan 0.000 0.533 904 S N 0.902 116.577 115.700 -0.042 0.000 2.588 904 S HA 0.433 4.908 4.470 0.008 0.000 0.245 904 S C -0.679 173.872 174.600 -0.081 0.000 1.021 904 S CA -0.695 57.470 58.200 -0.059 0.000 1.006 904 S CB -0.139 62.995 63.200 -0.109 0.000 0.830 904 S HN 0.522 nan 8.310 nan 0.000 0.468 905 Y N 1.652 121.936 120.300 -0.027 0.000 2.418 905 Y HA 0.243 4.798 4.550 0.007 0.000 0.327 905 Y C 1.948 177.851 175.900 0.005 0.000 1.309 905 Y CA -0.427 57.662 58.100 -0.018 0.000 1.423 905 Y CB 0.415 38.872 38.460 -0.004 0.000 1.423 905 Y HN 0.042 nan 8.280 nan 0.000 0.532 906 Q N 0.100 120.011 119.800 0.185 0.000 2.119 906 Q HA 0.059 4.403 4.340 0.008 0.000 0.201 906 Q C 0.387 176.455 176.000 0.113 0.000 0.972 906 Q CA 1.093 56.963 55.803 0.111 0.000 0.847 906 Q CB 0.031 28.818 28.738 0.081 0.000 0.903 906 Q HN 0.800 nan 8.270 nan 0.000 0.433 907 G N -0.245 108.634 108.800 0.133 0.000 2.605 907 G HA2 0.574 4.539 3.960 0.008 0.000 0.296 907 G HA3 0.574 4.539 3.960 0.008 0.000 0.296 907 G C -2.029 172.943 174.900 0.119 0.000 1.304 907 G CA -0.516 44.649 45.100 0.109 0.000 0.941 907 G HN 0.034 nan 8.290 nan 0.000 0.475 908 L N 0.222 121.518 121.223 0.122 0.000 2.464 908 L HA 0.664 5.008 4.340 0.008 0.000 0.266 908 L C -1.149 175.800 176.870 0.132 0.000 0.965 908 L CA -0.640 54.275 54.840 0.125 0.000 0.833 908 L CB 1.841 43.993 42.059 0.155 0.000 1.296 908 L HN 0.464 nan 8.230 nan 0.000 0.405 909 I N 5.627 126.261 120.570 0.108 0.000 2.312 909 I HA 0.390 4.565 4.170 0.008 0.000 0.290 909 I C -0.677 175.450 176.117 0.017 0.000 1.008 909 I CA -0.812 60.552 61.300 0.107 0.000 1.226 909 I CB 1.681 39.799 38.000 0.197 0.000 1.371 909 I HN 0.282 nan 8.210 nan 0.000 0.468 910 V N 5.471 125.399 119.914 0.024 0.000 2.311 910 V HA 0.185 4.310 4.120 0.008 0.000 0.275 910 V C -0.179 175.883 176.094 -0.054 0.000 1.022 910 V CA -0.494 61.798 62.300 -0.013 0.000 0.830 910 V CB 1.318 33.219 31.823 0.131 0.000 1.012 910 V HN 0.595 nan 8.190 nan 0.000 0.452 911 D N 4.115 124.460 120.400 -0.091 0.000 2.313 911 D HA 0.264 4.908 4.640 0.008 0.000 0.239 911 D C 0.563 176.892 176.300 0.048 0.000 1.142 911 D CA -0.162 53.898 54.000 0.100 0.000 0.847 911 D CB 1.937 42.926 40.800 0.316 0.000 1.082 911 D HN 0.425 nan 8.370 nan 0.000 0.480 912 V N 1.839 121.758 119.914 0.008 0.000 3.176 912 V HA 0.392 4.516 4.120 0.008 0.000 0.332 912 V C 0.751 176.859 176.094 0.023 0.000 1.414 912 V CA -0.642 61.588 62.300 -0.117 0.000 1.133 912 V CB -0.582 31.103 31.823 -0.230 0.000 1.088 912 V HN 0.260 nan 8.190 nan 0.000 0.473 913 R N 0.399 121.004 120.500 0.175 0.000 2.640 913 R HA 0.319 4.664 4.340 0.008 0.000 0.270 913 R C 0.312 176.622 176.300 0.017 0.000 1.024 913 R CA 0.719 56.817 56.100 -0.004 0.000 1.085 913 R CB -0.117 30.191 30.300 0.014 0.000 0.963 913 R HN 0.482 nan 8.270 nan 0.000 0.426 914 F N -1.648 118.252 119.950 -0.083 0.000 2.871 914 F HA -0.349 4.182 4.527 0.008 0.000 0.326 914 F C 0.777 176.505 175.800 -0.119 0.000 0.675 914 F CA 0.432 58.280 58.000 -0.253 0.000 1.188 914 F CB -1.402 36.959 39.000 -1.065 0.000 1.567 914 F HN 0.634 nan 8.300 nan 0.000 0.325 915 N N 1.890 120.626 118.700 0.060 0.000 2.365 915 N HA 0.075 4.819 4.740 0.008 0.000 0.265 915 N C 1.195 176.732 175.510 0.044 0.000 1.288 915 N CA 1.131 54.199 53.050 0.030 0.000 0.869 915 N CB 1.075 39.533 38.487 -0.049 0.000 1.071 915 N HN 0.418 nan 8.380 nan 0.000 0.480 916 G N 2.093 110.926 108.800 0.055 0.000 3.026 916 G HA2 0.317 4.282 3.960 0.008 0.000 0.208 916 G HA3 0.317 4.282 3.960 0.008 0.000 0.208 916 G C 0.790 175.722 174.900 0.053 0.000 1.169 916 G CA 0.447 45.568 45.100 0.035 0.000 0.788 916 G HN 0.999 nan 8.290 nan 0.000 0.533 917 G N -1.582 107.261 108.800 0.070 0.000 2.725 917 G HA2 0.401 4.365 3.960 0.008 0.000 0.220 917 G HA3 0.401 4.365 3.960 0.008 0.000 0.220 917 G C 0.466 175.440 174.900 0.123 0.000 1.357 917 G CA 0.100 45.265 45.100 0.109 0.000 0.866 917 G HN 1.888 nan 8.290 nan 0.000 0.548 918 G N -2.871 106.025 108.800 0.160 0.000 2.272 918 G HA2 0.576 4.541 3.960 0.008 0.000 0.068 918 G HA3 0.576 4.541 3.960 0.008 0.000 0.068 918 G C 0.352 175.414 174.900 0.270 0.000 1.073 918 G CA 1.100 46.344 45.100 0.240 0.000 1.154 918 G HN 2.435 nan 8.290 nan 0.000 0.429 919 F N -0.704 119.234 119.950 -0.020 0.000 3.087 919 F HA 0.428 4.960 4.527 0.008 0.000 0.371 919 F C 1.279 177.036 175.800 -0.072 0.000 1.144 919 F CA 0.858 58.822 58.000 -0.060 0.000 1.030 919 F CB -0.288 38.670 39.000 -0.070 0.000 1.366 919 F HN 0.899 nan 8.300 nan 0.000 0.522 920 V N -0.444 119.057 119.914 -0.689 0.000 3.577 920 V HA 0.174 4.298 4.120 0.008 0.000 0.294 920 V C 2.037 177.960 176.094 -0.285 0.000 1.317 920 V CA 0.835 62.797 62.300 -0.564 0.000 1.169 920 V CB -1.024 30.418 31.823 -0.635 0.000 1.011 920 V HN 0.431 nan 8.190 nan 0.000 0.426 921 S N 2.102 117.709 115.700 -0.155 0.000 2.370 921 S HA -0.374 4.101 4.470 0.008 0.000 0.226 921 S C 1.952 176.575 174.600 0.037 0.000 1.033 921 S CA 1.891 60.095 58.200 0.008 0.000 1.011 921 S CB -0.822 62.456 63.200 0.130 0.000 0.852 921 S HN 0.896 nan 8.310 nan 0.000 0.457 922 Q N 1.298 121.094 119.800 -0.007 0.000 2.170 922 Q HA -0.034 4.310 4.340 0.008 0.000 0.203 922 Q C 2.268 178.247 176.000 -0.035 0.000 0.976 922 Q CA 1.437 57.242 55.803 0.003 0.000 0.858 922 Q CB -0.736 28.011 28.738 0.015 0.000 0.907 922 Q HN 0.556 nan 8.270 nan 0.000 0.433 923 L N 0.291 121.458 121.223 -0.093 0.000 2.056 923 L HA -0.102 4.242 4.340 0.008 0.000 0.207 923 L C 2.527 179.282 176.870 -0.192 0.000 1.078 923 L CA 0.934 55.708 54.840 -0.109 0.000 0.749 923 L CB -0.369 41.615 42.059 -0.125 0.000 0.901 923 L HN 0.248 nan 8.230 nan 0.000 0.433 924 I N -0.401 119.971 120.570 -0.331 0.000 2.315 924 I HA -0.272 3.902 4.170 0.008 0.000 0.248 924 I C 2.484 178.444 176.117 -0.261 0.000 1.117 924 I CA 0.870 61.795 61.300 -0.625 0.000 1.404 924 I CB -0.140 37.342 38.000 -0.864 0.000 1.071 924 I HN 0.172 nan 8.210 nan 0.000 0.419 925 I N 0.896 121.443 120.570 -0.039 0.000 2.163 925 I HA -0.314 3.861 4.170 0.008 0.000 0.243 925 I C 2.563 178.665 176.117 -0.025 0.000 1.085 925 I CA 1.665 62.966 61.300 0.002 0.000 1.347 925 I CB -1.135 36.857 38.000 -0.014 0.000 1.044 925 I HN 0.403 nan 8.210 nan 0.000 0.408 926 E N 0.889 121.070 120.200 -0.032 0.000 2.130 926 E HA -0.296 4.058 4.350 0.008 0.000 0.196 926 E C 2.042 178.640 176.600 -0.003 0.000 0.998 926 E CA 1.624 58.018 56.400 -0.011 0.000 0.806 926 E CB 0.161 29.860 29.700 -0.002 0.000 0.738 926 E HN 0.207 nan 8.360 nan 0.000 0.459 927 K N 0.282 120.661 120.400 -0.034 0.000 2.031 927 K HA 0.006 4.331 4.320 0.008 0.000 0.205 927 K C 2.025 178.681 176.600 0.092 0.000 1.049 927 K CA 0.873 57.158 56.287 -0.004 0.000 0.939 927 K CB -0.233 32.175 32.500 -0.154 0.000 0.717 927 K HN 0.147 nan 8.250 nan 0.000 0.438 928 L N 0.225 121.511 121.223 0.105 0.000 2.265 928 L HA -0.110 4.235 4.340 0.008 0.000 0.215 928 L C 1.992 178.914 176.870 0.087 0.000 1.117 928 L CA 0.624 55.570 54.840 0.178 0.000 0.782 928 L CB -0.356 41.830 42.059 0.211 0.000 0.914 928 L HN 0.236 nan 8.230 nan 0.000 0.441 929 M N -0.677 118.944 119.600 0.035 0.000 2.562 929 M HA -0.013 4.471 4.480 0.008 0.000 0.257 929 M C 0.359 176.671 176.300 0.019 0.000 1.099 929 M CA 0.453 55.753 55.300 0.000 0.000 1.099 929 M CB -1.036 31.555 32.600 -0.015 0.000 1.427 929 M HN 0.259 nan 8.290 nan 0.000 0.489 930 N N 1.905 120.634 118.700 0.048 0.000 2.454 930 N HA -0.001 4.743 4.740 0.008 0.000 0.260 930 N C -0.027 175.502 175.510 0.032 0.000 1.218 930 N CA 0.356 53.428 53.050 0.037 0.000 0.904 930 N CB 0.682 39.203 38.487 0.058 0.000 1.065 930 N HN 0.091 nan 8.380 nan 0.000 0.462 931 K N 2.475 122.883 120.400 0.014 0.000 2.265 931 K HA 0.205 4.530 4.320 0.008 0.000 0.267 931 K C -0.549 176.054 176.600 0.004 0.000 0.994 931 K CA -0.749 55.548 56.287 0.015 0.000 0.860 931 K CB 0.947 33.459 32.500 0.018 0.000 1.099 931 K HN 0.434 nan 8.250 nan 0.000 0.448 932 R N 5.397 125.893 120.500 -0.005 0.000 2.351 932 R HA 0.090 4.435 4.340 0.008 0.000 0.318 932 R C 0.766 177.056 176.300 -0.017 0.000 1.055 932 R CA 0.232 56.303 56.100 -0.049 0.000 0.968 932 R CB 0.102 30.356 30.300 -0.077 0.000 0.974 932 R HN 0.795 nan 8.270 nan 0.000 0.439 933 I N 0.652 121.233 120.570 0.019 0.000 4.240 933 I HA 0.500 4.675 4.170 0.008 0.000 0.331 933 I C 0.412 176.557 176.117 0.046 0.000 1.381 933 I CA -0.417 60.917 61.300 0.056 0.000 1.136 933 I CB 1.143 39.200 38.000 0.096 0.000 1.137 933 I HN 0.593 nan 8.210 nan 0.000 0.411 934 G N 0.234 109.025 108.800 -0.015 0.000 2.606 934 G HA2 0.644 4.609 3.960 0.008 0.000 0.300 934 G HA3 0.644 4.609 3.960 0.008 0.000 0.300 934 G C -2.313 172.471 174.900 -0.193 0.000 1.360 934 G CA -0.553 44.537 45.100 -0.017 0.000 0.783 934 G HN 0.071 nan 8.290 nan 0.000 0.484 935 Y N -0.537 119.801 120.300 0.062 0.000 2.519 935 Y HA 0.379 4.933 4.550 0.008 0.000 0.336 935 Y C -0.916 175.002 175.900 0.032 0.000 1.089 935 Y CA -0.883 57.252 58.100 0.059 0.000 1.025 935 Y CB 2.627 41.109 38.460 0.036 0.000 1.318 935 Y HN 0.386 nan 8.280 nan 0.000 0.452 936 D N 1.842 122.368 120.400 0.210 0.000 2.210 936 D HA 0.258 4.903 4.640 0.008 0.000 0.249 936 D C -1.083 175.285 176.300 0.112 0.000 1.062 936 D CA -0.213 53.859 54.000 0.119 0.000 0.891 936 D CB 1.221 42.080 40.800 0.099 0.000 1.186 936 D HN 0.528 nan 8.370 nan 0.000 0.432 937 N N 2.307 121.046 118.700 0.065 0.000 2.483 937 N HA 0.348 5.092 4.740 0.008 0.000 0.267 937 N C -2.273 173.253 175.510 0.027 0.000 0.998 937 N CA -0.984 52.089 53.050 0.039 0.000 0.918 937 N CB 1.745 40.245 38.487 0.022 0.000 1.215 937 N HN 0.185 nan 8.380 nan 0.000 0.500 938 P HA 0.327 nan 4.420 nan 0.000 0.282 938 P C 0.366 177.671 177.300 0.008 0.000 1.259 938 P CA -0.565 62.546 63.100 0.018 0.000 0.826 938 P CB 1.953 33.665 31.700 0.021 0.000 1.064 939 R N 1.678 122.183 120.500 0.007 0.000 2.115 939 R HA -0.053 4.291 4.340 0.008 0.000 0.230 939 R C 0.779 177.080 176.300 0.001 0.000 1.111 939 R CA 1.310 57.411 56.100 0.003 0.000 0.976 939 R CB -0.154 30.148 30.300 0.004 0.000 0.870 939 R HN 0.645 nan 8.270 nan 0.000 0.445 940 R N -1.507 118.995 120.500 0.003 0.000 2.604 940 R HA 0.633 4.978 4.340 0.008 0.000 0.281 940 R C -0.568 175.733 176.300 0.002 0.000 1.020 940 R CA -0.541 55.559 56.100 0.001 0.000 0.899 940 R CB 1.636 31.936 30.300 0.001 0.000 1.205 940 R HN 0.195 nan 8.270 nan 0.000 0.450 941 G N 0.954 109.753 108.800 -0.002 0.000 2.466 941 G HA2 -0.053 3.911 3.960 0.008 0.000 0.316 941 G HA3 -0.053 3.911 3.960 0.008 0.000 0.316 941 G C -0.568 174.330 174.900 -0.004 0.000 1.270 941 G CA -0.413 44.687 45.100 -0.001 0.000 0.982 941 G HN 1.048 nan 8.290 nan 0.000 0.506 942 T N -1.632 112.921 114.554 -0.001 0.000 2.937 942 T HA 0.751 5.105 4.350 0.008 0.000 0.283 942 T C 0.824 175.532 174.700 0.013 0.000 1.012 942 T CA -0.657 61.439 62.100 -0.007 0.000 0.997 942 T CB 1.332 70.190 68.868 -0.016 0.000 1.136 942 T HN 0.925 nan 8.240 nan 0.000 0.551 943 L N 1.679 122.904 121.223 0.004 0.000 2.485 943 L HA 0.297 4.642 4.340 0.008 0.000 0.275 943 L C 0.289 177.252 176.870 0.155 0.000 1.207 943 L CA -0.225 54.651 54.840 0.059 0.000 0.855 943 L CB 0.641 42.663 42.059 -0.062 0.000 1.114 943 L HN 0.737 nan 8.230 nan 0.000 0.485 944 S N 3.712 119.543 115.700 0.218 0.000 2.474 944 S HA 0.413 4.887 4.470 0.008 0.000 0.321 944 S C -2.317 172.418 174.600 0.225 0.000 1.080 944 S CA -1.183 57.127 58.200 0.183 0.000 1.106 944 S CB 1.502 64.776 63.200 0.122 0.000 0.984 944 S HN 0.417 nan 8.310 nan 0.000 0.464 945 P HA 0.188 nan 4.420 nan 0.000 0.274 945 P C -1.345 175.894 177.300 -0.102 0.000 1.231 945 P CA -0.342 62.620 63.100 -0.230 0.000 0.790 945 P CB 0.537 32.124 31.700 -0.188 0.000 0.951 946 Y N 2.351 122.470 120.300 -0.302 0.000 2.346 946 Y HA 0.445 4.999 4.550 0.008 0.000 0.332 946 Y C -2.671 173.152 175.900 -0.129 0.000 0.985 946 Y CA -2.646 55.369 58.100 -0.143 0.000 1.112 946 Y CB 1.854 40.255 38.460 -0.099 0.000 1.170 946 Y HN 0.257 nan 8.280 nan 0.000 0.447 947 P HA 0.131 nan 4.420 nan 0.000 0.272 947 P C 0.450 177.601 177.300 -0.248 0.000 1.240 947 P CA 0.139 62.849 63.100 -0.650 0.000 0.791 947 P CB 0.996 32.448 31.700 -0.414 0.000 0.978 948 T N -0.312 114.150 114.554 -0.153 0.000 2.746 948 T HA -0.121 4.234 4.350 0.008 0.000 0.267 948 T C 0.861 175.580 174.700 0.032 0.000 1.039 948 T CA 1.568 63.651 62.100 -0.028 0.000 1.142 948 T CB -0.951 67.929 68.868 0.020 0.000 0.866 948 T HN 0.498 nan 8.240 nan 0.000 0.444 949 N N 1.736 120.489 118.700 0.089 0.000 2.410 949 N HA 0.109 4.854 4.740 0.008 0.000 0.231 949 N C -0.352 175.345 175.510 0.312 0.000 1.172 949 N CA -0.411 52.817 53.050 0.297 0.000 0.849 949 N CB 0.222 38.893 38.487 0.307 0.000 1.116 949 N HN 0.299 nan 8.380 nan 0.000 0.485 950 S N -1.009 114.768 115.700 0.128 0.000 2.525 950 S HA 0.424 4.898 4.470 0.008 0.000 0.290 950 S C 0.094 174.749 174.600 0.092 0.000 1.152 950 S CA -0.908 57.358 58.200 0.110 0.000 1.072 950 S CB 1.765 64.966 63.200 0.002 0.000 1.027 950 S HN -0.158 nan 8.310 nan 0.000 0.500 951 V N 4.217 124.217 119.914 0.143 0.000 2.555 951 V HA 0.243 4.367 4.120 0.008 0.000 0.286 951 V C 1.903 178.037 176.094 0.066 0.000 1.044 951 V CA -0.327 62.038 62.300 0.108 0.000 1.026 951 V CB 0.720 32.650 31.823 0.177 0.000 0.981 951 V HN 1.063 nan 8.190 nan 0.000 0.480 952 R N 2.917 123.447 120.500 0.050 0.000 2.075 952 R HA 0.008 4.352 4.340 0.008 0.000 0.232 952 R C 1.119 177.462 176.300 0.073 0.000 1.126 952 R CA 1.514 57.651 56.100 0.060 0.000 0.963 952 R CB -0.018 30.319 30.300 0.061 0.000 0.858 952 R HN 0.891 nan 8.270 nan 0.000 0.435 953 G N -0.220 108.629 108.800 0.082 0.000 3.340 953 G HA2 0.243 4.207 3.960 0.008 0.000 0.176 953 G HA3 0.243 4.207 3.960 0.008 0.000 0.176 953 G C -1.117 173.831 174.900 0.080 0.000 1.103 953 G CA -0.596 44.551 45.100 0.078 0.000 0.779 953 G HN -0.041 nan 8.290 nan 0.000 0.673 954 K N 0.535 120.983 120.400 0.080 0.000 2.270 954 K HA 0.480 4.805 4.320 0.008 0.000 0.276 954 K C -0.441 176.231 176.600 0.120 0.000 1.023 954 K CA 0.052 56.389 56.287 0.083 0.000 0.955 954 K CB 1.402 33.943 32.500 0.068 0.000 0.975 954 K HN 0.313 nan 8.250 nan 0.000 0.471 955 I N 2.693 123.352 120.570 0.149 0.000 2.646 955 I HA 0.492 4.667 4.170 0.008 0.000 0.299 955 I C -0.146 176.163 176.117 0.320 0.000 1.036 955 I CA -1.017 60.430 61.300 0.245 0.000 1.074 955 I CB 1.779 39.967 38.000 0.313 0.000 1.258 955 I HN 0.412 nan 8.210 nan 0.000 0.430 956 I N 3.415 124.165 120.570 0.300 0.000 2.722 956 I HA 0.726 4.900 4.170 0.008 0.000 0.295 956 I C -1.140 175.003 176.117 0.043 0.000 1.161 956 I CA -0.375 61.064 61.300 0.231 0.000 1.032 956 I CB 1.956 40.047 38.000 0.151 0.000 1.244 956 I HN 0.727 nan 8.210 nan 0.000 0.421 957 A N 7.645 130.347 122.820 -0.197 0.000 2.365 957 A HA 0.848 5.173 4.320 0.008 0.000 0.318 957 A C -1.153 176.351 177.584 -0.133 0.000 1.091 957 A CA -0.558 51.248 52.037 -0.384 0.000 0.763 957 A CB 1.162 19.482 19.000 -1.133 0.000 1.248 957 A HN 0.591 nan 8.150 nan 0.000 0.442 958 I N 1.061 121.608 120.570 -0.038 0.000 2.474 958 I HA 0.603 4.778 4.170 0.008 0.000 0.294 958 I C 0.158 176.295 176.117 0.034 0.000 1.005 958 I CA -0.364 60.959 61.300 0.039 0.000 1.113 958 I CB 2.266 40.342 38.000 0.127 0.000 1.289 958 I HN 0.636 nan 8.210 nan 0.000 0.436 959 T N 4.064 118.630 114.554 0.020 0.000 2.864 959 T HA 0.617 4.972 4.350 0.008 0.000 0.299 959 T C -1.353 173.328 174.700 -0.033 0.000 1.166 959 T CA -0.600 61.503 62.100 0.004 0.000 1.007 959 T CB 1.723 70.605 68.868 0.023 0.000 1.219 959 T HN 0.865 nan 8.240 nan 0.000 0.506 960 N N 0.313 118.959 118.700 -0.089 0.000 3.204 960 N HA 0.272 5.017 4.740 0.008 0.000 0.285 960 N C 0.646 176.051 175.510 -0.175 0.000 1.536 960 N CA -0.697 52.264 53.050 -0.148 0.000 0.832 960 N CB 0.349 38.694 38.487 -0.237 0.000 1.645 960 N HN 0.611 nan 8.380 nan 0.000 0.586 961 E N -0.450 119.576 120.200 -0.291 0.000 2.401 961 E HA -0.189 4.166 4.350 0.008 0.000 0.199 961 E C 0.104 176.507 176.600 -0.328 0.000 1.023 961 E CA 1.222 57.439 56.400 -0.305 0.000 0.859 961 E CB -0.538 28.918 29.700 -0.406 0.000 0.780 961 E HN 0.738 nan 8.360 nan 0.000 0.523 962 Y N 1.044 121.282 120.300 -0.102 0.000 2.466 962 Y HA 0.355 4.910 4.550 0.008 0.000 0.272 962 Y C 1.210 177.055 175.900 -0.093 0.000 1.169 962 Y CA -0.061 57.974 58.100 -0.109 0.000 1.285 962 Y CB 0.510 38.848 38.460 -0.204 0.000 1.078 962 Y HN 0.048 nan 8.280 nan 0.000 0.523 963 A N 0.654 123.498 122.820 0.040 0.000 2.301 963 A HA 0.762 5.087 4.320 0.008 0.000 0.312 963 A C 0.427 178.130 177.584 0.198 0.000 1.182 963 A CA 0.205 52.287 52.037 0.076 0.000 0.826 963 A CB 0.325 19.355 19.000 0.049 0.000 1.134 963 A HN 0.303 nan 8.150 nan 0.000 0.501 964 G N -0.394 108.544 108.800 0.230 0.000 2.608 964 G HA2 0.627 4.592 3.960 0.008 0.000 0.291 964 G HA3 0.627 4.592 3.960 0.008 0.000 0.291 964 G C -0.005 175.184 174.900 0.481 0.000 1.425 964 G CA 0.697 46.097 45.100 0.500 0.000 0.787 964 G HN 2.047 nan 8.290 nan 0.000 0.484 965 S N -0.939 115.189 115.700 0.713 0.000 4.116 965 S HA -0.357 4.117 4.470 0.008 0.000 0.623 965 S C 1.513 176.275 174.600 0.269 0.000 1.933 965 S CA 2.425 60.954 58.200 0.548 0.000 4.224 965 S CB -1.610 61.950 63.200 0.600 0.000 0.208 965 S HN 1.428 nan 8.310 nan 0.000 0.527 966 D N 0.777 121.286 120.400 0.183 0.000 2.263 966 D HA 0.070 4.715 4.640 0.008 0.000 0.208 966 D C 1.847 178.223 176.300 0.128 0.000 0.971 966 D CA 2.054 56.101 54.000 0.077 0.000 0.867 966 D CB -0.950 39.884 40.800 0.057 0.000 0.929 966 D HN 0.602 nan 8.370 nan 0.000 0.492 967 G N -0.318 108.580 108.800 0.162 0.000 2.443 967 G HA2 -0.211 3.754 3.960 0.008 0.000 0.219 967 G HA3 -0.211 3.754 3.960 0.008 0.000 0.219 967 G C 1.426 176.472 174.900 0.244 0.000 1.131 967 G CA 0.590 45.787 45.100 0.162 0.000 0.775 967 G HN 0.237 nan 8.290 nan 0.000 0.547 968 D N 0.647 121.209 120.400 0.270 0.000 2.123 968 D HA -0.023 4.622 4.640 0.008 0.000 0.200 968 D C 2.593 179.081 176.300 0.313 0.000 0.976 968 D CA 0.381 54.554 54.000 0.288 0.000 0.831 968 D CB 0.030 41.007 40.800 0.295 0.000 0.974 968 D HN 0.329 nan 8.370 nan 0.000 0.469 969 I N 0.551 121.266 120.570 0.241 0.000 2.286 969 I HA -0.257 3.918 4.170 0.008 0.000 0.248 969 I C 2.349 178.676 176.117 0.351 0.000 1.115 969 I CA 0.752 62.208 61.300 0.261 0.000 1.392 969 I CB -0.236 37.669 38.000 -0.158 0.000 1.065 969 I HN -0.086 nan 8.210 nan 0.000 0.418 970 F N 1.472 121.506 119.950 0.140 0.000 2.102 970 F HA -0.232 4.300 4.527 0.008 0.000 0.298 970 F C 2.708 178.611 175.800 0.172 0.000 1.105 970 F CA 1.870 59.945 58.000 0.124 0.000 1.239 970 F CB -0.246 38.777 39.000 0.038 0.000 0.991 970 F HN -0.097 nan 8.300 nan 0.000 0.474 971 S N 0.349 116.256 115.700 0.345 0.000 2.370 971 S HA -0.238 4.236 4.470 0.008 0.000 0.226 971 S C 1.843 176.512 174.600 0.116 0.000 1.033 971 S CA 1.615 59.938 58.200 0.205 0.000 1.011 971 S CB -0.892 62.433 63.200 0.208 0.000 0.852 971 S HN 0.528 nan 8.310 nan 0.000 0.457 972 F N 2.186 122.148 119.950 0.021 0.000 2.146 972 F HA -0.120 4.412 4.527 0.008 0.000 0.298 972 F C 2.471 178.141 175.800 -0.217 0.000 1.096 972 F CA 1.359 59.272 58.000 -0.144 0.000 1.275 972 F CB -0.375 38.449 39.000 -0.293 0.000 1.008 972 F HN 0.086 nan 8.300 nan 0.000 0.480 973 S N 0.270 116.038 115.700 0.114 0.000 2.383 973 S HA -0.192 4.282 4.470 0.008 0.000 0.227 973 S C 1.799 176.311 174.600 -0.145 0.000 1.026 973 S CA 1.211 59.429 58.200 0.030 0.000 0.981 973 S CB -0.825 62.452 63.200 0.129 0.000 0.818 973 S HN 0.493 nan 8.310 nan 0.000 0.472 974 F N 2.456 122.183 119.950 -0.371 0.000 2.091 974 F HA -0.197 4.334 4.527 0.007 0.000 0.299 974 F C 2.096 177.745 175.800 -0.252 0.000 1.103 974 F CA 1.587 59.361 58.000 -0.376 0.000 1.228 974 F CB -0.147 38.601 39.000 -0.420 0.000 0.984 974 F HN 0.068 nan 8.300 nan 0.000 0.477 975 K N -0.205 120.150 120.400 -0.076 0.000 2.025 975 K HA -0.202 4.123 4.320 0.008 0.000 0.207 975 K C 2.077 178.501 176.600 -0.293 0.000 1.049 975 K CA 1.521 57.703 56.287 -0.176 0.000 0.933 975 K CB -0.296 32.058 32.500 -0.243 0.000 0.714 975 K HN 0.007 nan 8.250 nan 0.000 0.438 976 K N 1.523 121.680 120.400 -0.404 0.000 2.103 976 K HA -0.099 4.226 4.320 0.008 0.000 0.207 976 K C 1.560 178.039 176.600 -0.202 0.000 1.048 976 K CA 1.305 57.387 56.287 -0.342 0.000 0.930 976 K CB -0.111 32.184 32.500 -0.343 0.000 0.716 976 K HN 0.074 nan 8.250 nan 0.000 0.444 977 L N -0.680 120.421 121.223 -0.202 0.000 2.591 977 L HA 0.212 4.556 4.340 0.008 0.000 0.228 977 L C 0.904 177.647 176.870 -0.211 0.000 1.133 977 L CA 0.250 54.986 54.840 -0.173 0.000 0.880 977 L CB -0.276 41.682 42.059 -0.169 0.000 1.033 977 L HN 0.484 nan 8.230 nan 0.000 0.450 978 G N 0.648 109.299 108.800 -0.247 0.000 2.273 978 G HA2 -0.280 3.684 3.960 0.008 0.000 0.280 978 G HA3 -0.280 3.684 3.960 0.008 0.000 0.280 978 G C 0.526 175.240 174.900 -0.311 0.000 1.047 978 G CA 0.097 45.059 45.100 -0.230 0.000 0.869 978 G HN 0.218 nan 8.290 nan 0.000 0.502 979 L N -0.440 120.436 121.223 -0.578 0.000 2.291 979 L HA 0.467 4.812 4.340 0.008 0.000 0.214 979 L C 1.879 178.399 176.870 -0.583 0.000 1.120 979 L CA 2.107 56.502 54.840 -0.741 0.000 0.799 979 L CB -0.630 40.597 42.059 -1.386 0.000 0.925 979 L HN 1.172 nan 8.230 nan 0.000 0.446 980 G N -2.220 106.319 108.800 -0.434 0.000 2.345 980 G HA2 0.112 4.076 3.960 0.008 0.000 0.285 980 G HA3 0.112 4.076 3.960 0.008 0.000 0.285 980 G C -1.283 173.758 174.900 0.236 0.000 1.297 980 G CA -0.957 44.166 45.100 0.037 0.000 0.875 980 G HN -0.250 nan 8.290 nan 0.000 0.506 981 K N -0.390 120.175 120.400 0.274 0.000 2.154 981 K HA 0.605 4.929 4.320 0.008 0.000 0.264 981 K C -0.781 175.964 176.600 0.241 0.000 1.008 981 K CA -0.607 55.809 56.287 0.214 0.000 0.937 981 K CB 1.958 34.555 32.500 0.161 0.000 1.002 981 K HN 0.443 nan 8.250 nan 0.000 0.469 982 L N 3.389 124.697 121.223 0.143 0.000 2.305 982 L HA 0.411 4.755 4.340 0.008 0.000 0.284 982 L C -1.127 175.766 176.870 0.038 0.000 1.013 982 L CA -0.567 54.307 54.840 0.056 0.000 0.819 982 L CB 0.871 42.956 42.059 0.044 0.000 1.227 982 L HN 0.413 nan 8.230 nan 0.000 0.417 983 I N 4.387 124.976 120.570 0.032 0.000 2.603 983 I HA 0.941 5.115 4.170 0.008 0.000 0.300 983 I C 0.690 176.809 176.117 0.003 0.000 1.017 983 I CA 0.375 61.689 61.300 0.024 0.000 1.098 983 I CB 1.654 39.720 38.000 0.111 0.000 1.279 983 I HN 0.785 nan 8.210 nan 0.000 0.437 984 G N 3.116 111.898 108.800 -0.030 0.000 2.217 984 G HA2 0.197 4.162 3.960 0.008 0.000 0.173 984 G HA3 0.197 4.162 3.960 0.008 0.000 0.173 984 G C -0.624 174.258 174.900 -0.030 0.000 1.324 984 G CA -0.154 44.935 45.100 -0.017 0.000 1.225 984 G HN 0.886 nan 8.290 nan 0.000 0.494 985 T N -2.001 112.534 114.554 -0.031 0.000 2.906 985 T HA 0.708 5.063 4.350 0.008 0.000 0.295 985 T C 0.016 174.678 174.700 -0.062 0.000 1.075 985 T CA -0.034 62.040 62.100 -0.043 0.000 1.005 985 T CB 2.377 71.223 68.868 -0.038 0.000 1.136 985 T HN 0.968 nan 8.240 nan 0.000 0.498 986 R N 1.780 122.229 120.500 -0.085 0.000 2.537 986 R HA 0.222 4.566 4.340 0.008 0.000 0.281 986 R C 0.880 177.127 176.300 -0.088 0.000 0.988 986 R CA 0.359 56.388 56.100 -0.119 0.000 1.077 986 R CB -0.090 30.073 30.300 -0.227 0.000 0.932 986 R HN 0.938 nan 8.270 nan 0.000 0.409 987 T N 1.461 115.997 114.554 -0.029 0.000 2.701 987 T HA -0.071 4.283 4.350 0.008 0.000 0.303 987 T C 0.942 175.729 174.700 0.144 0.000 1.030 987 T CA -0.235 61.907 62.100 0.070 0.000 1.010 987 T CB 0.478 69.431 68.868 0.141 0.000 1.007 987 T HN 0.852 nan 8.240 nan 0.000 0.532 988 W N 1.911 123.251 121.300 0.067 0.000 2.325 988 W HA 0.049 4.714 4.660 0.007 0.000 0.299 988 W C 1.664 178.352 176.519 0.282 0.000 1.215 988 W CA 1.875 59.329 57.345 0.181 0.000 1.244 988 W CB -1.011 28.577 29.460 0.214 0.000 1.140 988 W HN 1.403 nan 8.180 nan 0.000 0.523 989 G N 0.193 109.094 108.800 0.169 0.000 2.289 989 G HA2 -0.033 3.931 3.960 0.008 0.000 0.280 989 G HA3 -0.033 3.931 3.960 0.008 0.000 0.280 989 G C 0.095 174.976 174.900 -0.033 0.000 1.089 989 G CA 0.035 45.172 45.100 0.062 0.000 0.939 989 G HN 1.022 nan 8.290 nan 0.000 0.499 990 G N -1.046 107.638 108.800 -0.194 0.000 2.814 990 G HA2 0.670 4.634 3.960 0.008 0.000 0.300 990 G HA3 0.670 4.634 3.960 0.008 0.000 0.300 990 G C 0.305 175.305 174.900 0.167 0.000 1.406 990 G CA 0.197 45.082 45.100 -0.357 0.000 1.041 990 G HN 1.626 nan 8.290 nan 0.000 0.532 991 V N 0.386 120.369 119.914 0.116 0.000 2.838 991 V HA 0.411 4.535 4.120 0.008 0.000 0.363 991 V C -0.355 175.705 176.094 -0.057 0.000 1.324 991 V CA -0.630 61.721 62.300 0.085 0.000 1.220 991 V CB 0.425 32.316 31.823 0.113 0.000 1.328 991 V HN 0.252 nan 8.190 nan 0.000 0.595 992 V N 2.221 122.027 119.914 -0.180 0.000 2.293 992 V HA 0.758 4.882 4.120 0.008 0.000 0.275 992 V C 1.328 177.143 176.094 -0.464 0.000 1.021 992 V CA 0.189 62.303 62.300 -0.309 0.000 0.815 992 V CB 0.772 32.381 31.823 -0.357 0.000 1.025 992 V HN 0.601 nan 8.190 nan 0.000 0.448 993 G N 4.770 113.384 108.800 -0.310 0.000 2.699 993 G HA2 0.530 4.495 3.960 0.008 0.000 0.246 993 G HA3 0.530 4.495 3.960 0.008 0.000 0.246 993 G C -0.331 174.527 174.900 -0.070 0.000 1.219 993 G CA -0.213 44.702 45.100 -0.309 0.000 0.866 993 G HN 0.902 nan 8.290 nan 0.000 0.572 994 I N -3.676 116.852 120.570 -0.070 0.000 2.865 994 I HA 0.763 4.937 4.170 0.008 0.000 0.302 994 I C -0.812 175.326 176.117 0.035 0.000 1.140 994 I CA -0.942 60.396 61.300 0.062 0.000 1.021 994 I CB 2.768 40.759 38.000 -0.014 0.000 1.233 994 I HN 0.316 nan 8.210 nan 0.000 0.427 995 T N 3.563 118.201 114.554 0.139 0.000 3.318 995 T HA 0.328 4.682 4.350 0.008 0.000 0.304 995 T C -2.587 172.148 174.700 0.058 0.000 1.051 995 T CA -0.550 61.576 62.100 0.044 0.000 1.546 995 T CB 0.484 69.375 68.868 0.040 0.000 0.875 995 T HN 0.575 nan 8.240 nan 0.000 0.578 996 P HA 0.243 nan 4.420 nan 0.000 0.268 996 P C 0.075 177.400 177.300 0.040 0.000 1.204 996 P CA -0.279 62.844 63.100 0.038 0.000 0.768 996 P CB 1.089 32.811 31.700 0.037 0.000 0.842 997 K N 1.558 122.004 120.400 0.076 0.000 2.517 997 K HA 0.300 4.625 4.320 0.008 0.000 0.210 997 K C 0.517 177.267 176.600 0.251 0.000 1.166 997 K CA -0.491 55.866 56.287 0.117 0.000 1.030 997 K CB 0.988 33.487 32.500 -0.002 0.000 0.974 997 K HN 0.232 nan 8.250 nan 0.000 0.585 998 R N 1.244 121.861 120.500 0.194 0.000 2.621 998 R HA 0.431 4.775 4.340 0.008 0.000 0.284 998 R C -1.015 175.344 176.300 0.098 0.000 0.998 998 R CA -0.756 55.445 56.100 0.168 0.000 0.895 998 R CB 2.300 32.704 30.300 0.174 0.000 1.195 998 R HN 0.028 nan 8.270 nan 0.000 0.450 999 R N 2.067 122.614 120.500 0.079 0.000 2.732 999 R HA 0.487 4.831 4.340 0.008 0.000 0.278 999 R C -0.023 176.308 176.300 0.053 0.000 0.976 999 R CA -0.883 55.259 56.100 0.070 0.000 0.963 999 R CB 1.391 31.739 30.300 0.081 0.000 1.150 999 R HN 0.298 nan 8.270 nan 0.000 0.478 1000 L N 2.555 123.811 121.223 0.054 0.000 2.476 1000 L HA 0.158 4.503 4.340 0.008 0.000 0.255 1000 L C 2.141 179.034 176.870 0.038 0.000 1.218 1000 L CA -0.058 54.803 54.840 0.036 0.000 0.819 1000 L CB 0.355 42.433 42.059 0.032 0.000 1.119 1000 L HN 0.744 nan 8.230 nan 0.000 0.485 1001 I N -1.473 119.103 120.570 0.009 0.000 2.530 1001 I HA -0.210 3.965 4.170 0.008 0.000 0.257 1001 I C 1.289 177.392 176.117 -0.023 0.000 1.179 1001 I CA 1.325 62.618 61.300 -0.011 0.000 1.440 1001 I CB -0.497 37.472 38.000 -0.051 0.000 1.087 1001 I HN 0.739 nan 8.210 nan 0.000 0.440 1002 D N 0.807 121.199 120.400 -0.012 0.000 2.342 1002 D HA 0.166 4.810 4.640 0.008 0.000 0.221 1002 D C 1.558 178.036 176.300 0.297 0.000 1.101 1002 D CA 0.412 54.414 54.000 0.004 0.000 0.837 1002 D CB 0.362 41.124 40.800 -0.063 0.000 0.938 1002 D HN 0.521 nan 8.370 nan 0.000 0.508 1003 G N 0.058 109.000 108.800 0.236 0.000 2.217 1003 G HA2 -0.281 3.683 3.960 0.008 0.000 0.246 1003 G HA3 -0.281 3.683 3.960 0.008 0.000 0.246 1003 G C 0.532 175.521 174.900 0.148 0.000 0.990 1003 G CA 0.241 45.468 45.100 0.211 0.000 0.627 1003 G HN 0.447 nan 8.290 nan 0.000 0.522 1004 T N 1.176 115.811 114.554 0.135 0.000 2.905 1004 T HA 0.364 4.719 4.350 0.008 0.000 0.299 1004 T C 0.491 175.249 174.700 0.098 0.000 1.024 1004 T CA 0.518 62.693 62.100 0.125 0.000 1.151 1004 T CB 1.910 70.840 68.868 0.103 0.000 0.987 1004 T HN 0.553 nan 8.240 nan 0.000 0.535 1005 V N 6.027 125.998 119.914 0.094 0.000 2.311 1005 V HA 0.319 4.444 4.120 0.008 0.000 0.275 1005 V C 0.283 176.423 176.094 0.077 0.000 1.022 1005 V CA -0.582 61.764 62.300 0.076 0.000 0.830 1005 V CB 0.606 32.466 31.823 0.062 0.000 1.012 1005 V HN 0.688 nan 8.190 nan 0.000 0.452 1006 L N 4.714 125.975 121.223 0.064 0.000 2.379 1006 L HA 0.679 5.023 4.340 0.008 0.000 0.269 1006 L C 0.623 177.518 176.870 0.042 0.000 1.084 1006 L CA -0.201 54.672 54.840 0.054 0.000 0.802 1006 L CB 2.000 44.074 42.059 0.026 0.000 1.175 1006 L HN 0.737 nan 8.230 nan 0.000 0.448 1007 T N -0.489 114.084 114.554 0.033 0.000 2.887 1007 T HA 0.684 5.038 4.350 0.008 0.000 0.288 1007 T C -0.691 173.966 174.700 -0.072 0.000 1.021 1007 T CA -0.933 61.162 62.100 -0.008 0.000 1.000 1007 T CB 2.078 70.940 68.868 -0.010 0.000 1.034 1007 T HN 0.436 nan 8.240 nan 0.000 0.467 1008 Q N 2.212 121.964 119.800 -0.081 0.000 2.304 1008 Q HA 0.448 4.793 4.340 0.008 0.000 0.270 1008 Q C -2.767 173.173 176.000 -0.101 0.000 1.035 1008 Q CA -2.131 53.601 55.803 -0.118 0.000 0.781 1008 Q CB 2.350 31.006 28.738 -0.137 0.000 1.261 1008 Q HN 0.488 nan 8.270 nan 0.000 0.444 1009 P HA -0.061 nan 4.420 nan 0.000 0.263 1009 P C -0.431 176.774 177.300 -0.159 0.000 1.276 1009 P CA 0.492 63.527 63.100 -0.109 0.000 0.986 1009 P CB 0.640 32.310 31.700 -0.051 0.000 1.105 1010 E N 2.080 122.174 120.200 -0.176 0.000 2.447 1010 E HA 0.093 4.448 4.350 0.008 0.000 0.204 1010 E C -0.485 175.733 176.600 -0.637 0.000 0.977 1010 E CA 0.083 56.241 56.400 -0.402 0.000 0.950 1010 E CB 0.260 29.647 29.700 -0.523 0.000 0.975 1010 E HN 0.288 nan 8.360 nan 0.000 0.496 1011 F N 0.900 120.753 119.950 -0.163 0.000 2.552 1011 F HA 0.461 4.992 4.527 0.007 0.000 0.369 1011 F C -0.139 175.500 175.800 -0.267 0.000 1.112 1011 F CA -0.954 56.954 58.000 -0.154 0.000 1.129 1011 F CB 1.269 40.198 39.000 -0.117 0.000 1.360 1011 F HN -0.110 nan 8.300 nan 0.000 0.473 1012 A N 2.962 125.567 122.820 -0.359 0.000 2.454 1012 A HA 0.382 4.707 4.320 0.008 0.000 0.260 1012 A C -0.728 176.782 177.584 -0.123 0.000 1.106 1012 A CA -0.162 51.490 52.037 -0.642 0.000 0.780 1012 A CB -0.067 17.778 19.000 -1.925 0.000 1.044 1012 A HN 0.573 nan 8.150 nan 0.000 0.498 1013 F N 2.662 122.522 119.950 -0.150 0.000 2.412 1013 F HA 0.495 5.027 4.527 0.007 0.000 0.348 1013 F C -0.231 175.581 175.800 0.020 0.000 1.102 1013 F CA -0.271 57.676 58.000 -0.088 0.000 1.196 1013 F CB 0.719 39.597 39.000 -0.203 0.000 1.144 1013 F HN 0.663 nan 8.300 nan 0.000 0.541 1014 W N 7.937 128.597 121.300 -1.067 0.000 2.683 1014 W HA 0.528 5.192 4.660 0.007 0.000 0.329 1014 W C -2.034 173.837 176.519 -1.079 0.000 1.037 1014 W CA -1.004 55.754 57.345 -0.978 0.000 1.232 1014 W CB 1.042 29.903 29.460 -0.998 0.000 1.390 1014 W HN 0.363 nan 8.180 nan 0.000 0.465 1015 F N 4.899 124.206 119.950 -1.073 0.000 2.425 1015 F HA 0.450 4.981 4.527 0.008 0.000 0.331 1015 F C 0.939 175.919 175.800 -1.366 0.000 1.085 1015 F CA -1.139 56.322 58.000 -0.897 0.000 1.028 1015 F CB 1.358 39.900 39.000 -0.763 0.000 1.177 1015 F HN 0.230 nan 8.300 nan 0.000 0.487 1016 R N 2.350 122.526 120.500 -0.540 0.000 2.522 1016 R HA 0.084 4.428 4.340 0.008 0.000 0.284 1016 R C -0.205 175.880 176.300 -0.359 0.000 1.032 1016 R CA 0.899 56.692 56.100 -0.512 0.000 1.049 1016 R CB 0.077 30.360 30.300 -0.027 0.000 0.956 1016 R HN 0.917 nan 8.270 nan 0.000 0.422 1017 D N 1.640 121.824 120.400 -0.360 0.000 3.000 1017 D HA -0.303 4.342 4.640 0.008 0.000 0.201 1017 D C 0.622 176.791 176.300 -0.218 0.000 1.381 1017 D CA 2.071 55.957 54.000 -0.191 0.000 2.051 1017 D CB -1.216 39.539 40.800 -0.074 0.000 1.331 1017 D HN 0.585 nan 8.370 nan 0.000 0.502 1018 A N 0.678 123.331 122.820 -0.278 0.000 2.147 1018 A HA 0.574 4.899 4.320 0.008 0.000 0.211 1018 A C 1.755 179.110 177.584 -0.382 0.000 1.160 1018 A CA 1.960 53.861 52.037 -0.226 0.000 0.781 1018 A CB -0.330 18.587 19.000 -0.138 0.000 0.842 1018 A HN 1.196 nan 8.150 nan 0.000 0.475 1019 G N -0.505 107.805 108.800 -0.817 0.000 2.547 1019 G HA2 -0.326 3.638 3.960 0.008 0.000 0.271 1019 G HA3 -0.326 3.638 3.960 0.008 0.000 0.271 1019 G C 0.364 174.833 174.900 -0.718 0.000 1.209 1019 G CA 0.463 44.937 45.100 -1.044 0.000 0.959 1019 G HN 0.556 nan 8.290 nan 0.000 0.563 1020 F N 2.560 122.474 119.950 -0.061 0.000 2.732 1020 F HA 0.334 4.866 4.527 0.008 0.000 0.303 1020 F C 2.559 178.359 175.800 0.000 0.000 1.110 1020 F CA 0.567 58.558 58.000 -0.016 0.000 1.355 1020 F CB 0.232 39.259 39.000 0.045 0.000 1.081 1020 F HN 0.562 nan 8.300 nan 0.000 0.565 1021 G N 0.076 108.937 108.800 0.101 0.000 2.564 1021 G HA2 -0.154 3.811 3.960 0.008 0.000 0.216 1021 G HA3 -0.154 3.811 3.960 0.008 0.000 0.216 1021 G C 1.574 176.553 174.900 0.133 0.000 1.124 1021 G CA 0.805 45.956 45.100 0.085 0.000 0.764 1021 G HN 0.291 nan 8.290 nan 0.000 0.550 1022 V N 0.122 120.125 119.914 0.149 0.000 2.591 1022 V HA 0.015 4.139 4.120 0.008 0.000 0.249 1022 V C 1.310 177.546 176.094 0.236 0.000 1.053 1022 V CA 0.855 63.287 62.300 0.219 0.000 1.068 1022 V CB -0.118 31.826 31.823 0.202 0.000 0.689 1022 V HN 0.446 nan 8.190 nan 0.000 0.462 1023 E N 1.592 121.915 120.200 0.205 0.000 2.417 1023 E HA -0.058 4.296 4.350 0.008 0.000 0.261 1023 E C 0.695 177.456 176.600 0.269 0.000 1.000 1023 E CA 0.710 57.233 56.400 0.205 0.000 0.919 1023 E CB -0.856 28.928 29.700 0.140 0.000 0.955 1023 E HN 0.418 nan 8.360 nan 0.000 0.455 1024 N N 2.659 121.562 118.700 0.340 0.000 2.818 1024 N HA -0.308 4.436 4.740 0.008 0.000 0.250 1024 N C -0.844 174.740 175.510 0.124 0.000 1.108 1024 N CA 0.790 54.013 53.050 0.288 0.000 0.745 1024 N CB -0.682 38.002 38.487 0.328 0.000 1.104 1024 N HN 0.656 nan 8.380 nan 0.000 0.557 1025 Y N -1.030 119.263 120.300 -0.013 0.000 3.341 1025 Y HA 0.434 4.988 4.550 0.007 0.000 0.179 1025 Y C 0.994 176.886 175.900 -0.014 0.000 0.929 1025 Y CA 2.045 60.114 58.100 -0.052 0.000 1.758 1025 Y CB 0.456 38.919 38.460 0.004 0.000 1.446 1025 Y HN 0.222 nan 8.280 nan 0.000 0.337 1026 G N 0.574 109.375 108.800 0.001 0.000 2.342 1026 G HA2 0.134 4.099 3.960 0.008 0.000 0.220 1026 G HA3 0.134 4.099 3.960 0.008 0.000 0.220 1026 G C -1.978 172.964 174.900 0.070 0.000 1.243 1026 G CA -0.525 44.558 45.100 -0.029 0.000 1.083 1026 G HN 0.652 nan 8.290 nan 0.000 0.500 1027 V N 1.327 121.273 119.914 0.054 0.000 2.444 1027 V HA 0.491 4.615 4.120 0.008 0.000 0.294 1027 V C -0.818 175.294 176.094 0.030 0.000 1.022 1027 V CA -0.955 61.426 62.300 0.136 0.000 0.850 1027 V CB 1.637 33.577 31.823 0.195 0.000 0.992 1027 V HN 0.661 nan 8.190 nan 0.000 0.426 1028 D N 6.740 127.172 120.400 0.054 0.000 2.350 1028 D HA 0.316 4.960 4.640 0.008 0.000 0.249 1028 D C -2.123 174.179 176.300 0.003 0.000 1.119 1028 D CA -0.888 53.120 54.000 0.014 0.000 0.886 1028 D CB 1.938 42.779 40.800 0.069 0.000 1.195 1028 D HN 0.325 nan 8.370 nan 0.000 0.437 1029 P HA 0.141 nan 4.420 nan 0.000 0.276 1029 P C 0.142 177.433 177.300 -0.014 0.000 1.261 1029 P CA -0.403 62.689 63.100 -0.013 0.000 0.800 1029 P CB 1.445 33.131 31.700 -0.022 0.000 1.066 1030 D N -0.678 119.720 120.400 -0.003 0.000 2.178 1030 D HA -0.003 4.641 4.640 0.008 0.000 0.202 1030 D C 0.278 176.571 176.300 -0.012 0.000 0.974 1030 D CA 1.453 55.453 54.000 0.001 0.000 0.841 1030 D CB 0.209 41.026 40.800 0.027 0.000 0.953 1030 D HN 0.079 nan 8.370 nan 0.000 0.478 1031 V N 1.348 121.240 119.914 -0.037 0.000 2.447 1031 V HA 0.111 4.236 4.120 0.008 0.000 0.292 1031 V C -0.124 175.876 176.094 -0.157 0.000 1.021 1031 V CA -0.887 61.343 62.300 -0.116 0.000 0.850 1031 V CB 2.351 34.052 31.823 -0.204 0.000 1.005 1031 V HN -0.076 nan 8.190 nan 0.000 0.426 1032 E N 5.104 125.228 120.200 -0.127 0.000 2.257 1032 E HA 0.434 4.788 4.350 0.008 0.000 0.278 1032 E C -1.102 175.413 176.600 -0.140 0.000 1.049 1032 E CA -0.255 56.083 56.400 -0.103 0.000 0.876 1032 E CB 0.714 30.378 29.700 -0.059 0.000 1.035 1032 E HN 0.654 nan 8.360 nan 0.000 0.419 1033 I N 5.335 125.829 120.570 -0.128 0.000 2.466 1033 I HA 0.146 4.320 4.170 0.008 0.000 0.279 1033 I C 0.035 176.129 176.117 -0.039 0.000 1.033 1033 I CA -0.709 60.515 61.300 -0.127 0.000 1.123 1033 I CB 1.272 39.153 38.000 -0.197 0.000 1.237 1033 I HN 0.396 nan 8.210 nan 0.000 0.460 1034 E N 3.679 123.891 120.200 0.019 0.000 2.422 1034 E HA 0.014 4.369 4.350 0.008 0.000 0.260 1034 E C -1.089 175.543 176.600 0.052 0.000 1.108 1034 E CA 0.128 56.589 56.400 0.100 0.000 0.943 1034 E CB 1.086 30.925 29.700 0.232 0.000 0.961 1034 E HN 0.325 nan 8.360 nan 0.000 0.443 1035 Y N 0.548 120.804 120.300 -0.074 0.000 2.805 1035 Y HA 0.389 4.944 4.550 0.008 0.000 0.339 1035 Y C -0.244 175.479 175.900 -0.296 0.000 1.012 1035 Y CA -0.993 56.984 58.100 -0.204 0.000 1.262 1035 Y CB 0.316 38.683 38.460 -0.155 0.000 1.100 1035 Y HN 0.489 nan 8.280 nan 0.000 0.559 1036 A N 5.872 128.560 122.820 -0.220 0.000 2.313 1036 A HA 0.416 4.741 4.320 0.008 0.000 0.261 1036 A C -1.646 175.611 177.584 -0.546 0.000 1.090 1036 A CA -1.280 50.349 52.037 -0.679 0.000 0.807 1036 A CB 0.338 18.859 19.000 -0.797 0.000 1.055 1036 A HN 0.550 nan 8.150 nan 0.000 0.492 1037 P HA -0.192 nan 4.420 nan 0.000 0.216 1037 P C 0.762 177.841 177.300 -0.367 0.000 1.150 1037 P CA 2.126 64.854 63.100 -0.621 0.000 0.837 1037 P CB -0.197 30.740 31.700 -1.272 0.000 0.786 1038 H N -2.362 116.630 119.070 -0.130 0.000 2.491 1038 H HA -0.028 4.533 4.556 0.008 0.000 0.290 1038 H C 1.406 176.765 175.328 0.052 0.000 1.050 1038 H CA 1.101 57.193 56.048 0.073 0.000 1.309 1038 H CB -1.299 28.602 29.762 0.231 0.000 1.392 1038 H HN 0.087 nan 8.280 nan 0.000 0.554 1039 D N 0.712 121.007 120.400 -0.174 0.000 2.097 1039 D HA -0.152 4.493 4.640 0.008 0.000 0.197 1039 D C 1.638 177.925 176.300 -0.022 0.000 0.984 1039 D CA 1.220 55.157 54.000 -0.105 0.000 0.826 1039 D CB -0.412 40.219 40.800 -0.281 0.000 0.973 1039 D HN 0.470 nan 8.370 nan 0.000 0.460 1040 Y N 0.997 121.324 120.300 0.045 0.000 2.224 1040 Y HA -0.066 4.489 4.550 0.008 0.000 0.289 1040 Y C 2.528 178.419 175.900 -0.016 0.000 1.146 1040 Y CA 0.476 58.587 58.100 0.019 0.000 1.182 1040 Y CB -0.287 38.089 38.460 -0.139 0.000 0.983 1040 Y HN -0.072 nan 8.280 nan 0.000 0.524 1041 L N -0.537 120.762 121.223 0.126 0.000 2.131 1041 L HA -0.205 4.140 4.340 0.008 0.000 0.210 1041 L C 2.301 179.228 176.870 0.096 0.000 1.092 1041 L CA 1.676 56.576 54.840 0.099 0.000 0.759 1041 L CB -0.509 41.624 42.059 0.123 0.000 0.903 1041 L HN 0.298 nan 8.230 nan 0.000 0.435 1042 S N -1.322 114.433 115.700 0.092 0.000 2.548 1042 S HA 0.144 4.619 4.470 0.008 0.000 0.215 1042 S C 1.459 176.083 174.600 0.040 0.000 0.976 1042 S CA 0.334 58.576 58.200 0.069 0.000 0.908 1042 S CB 0.550 63.794 63.200 0.074 0.000 0.781 1042 S HN 0.495 nan 8.310 nan 0.000 0.519 1043 G N 1.200 110.024 108.800 0.040 0.000 2.147 1043 G HA2 -0.283 3.682 3.960 0.008 0.000 0.244 1043 G HA3 -0.283 3.682 3.960 0.008 0.000 0.244 1043 G C -0.190 174.688 174.900 -0.037 0.000 1.005 1043 G CA 0.432 45.541 45.100 0.016 0.000 0.713 1043 G HN 0.765 nan 8.290 nan 0.000 0.515 1044 K N 0.387 120.752 120.400 -0.058 0.000 2.207 1044 K HA 0.476 4.801 4.320 0.008 0.000 0.255 1044 K C -1.299 175.144 176.600 -0.261 0.000 0.941 1044 K CA -0.876 55.333 56.287 -0.131 0.000 0.825 1044 K CB 1.058 33.500 32.500 -0.096 0.000 1.119 1044 K HN -0.004 nan 8.250 nan 0.000 0.430 1045 D N 6.342 126.559 120.400 -0.304 0.000 2.485 1045 D HA 0.157 4.802 4.640 0.008 0.000 0.229 1045 D C -1.592 174.434 176.300 -0.456 0.000 1.101 1045 D CA -2.373 51.331 54.000 -0.493 0.000 0.906 1045 D CB 1.489 42.180 40.800 -0.182 0.000 1.019 1045 D HN 0.352 nan 8.370 nan 0.000 0.516 1046 P HA -0.176 nan 4.420 nan 0.000 0.218 1046 P C 1.160 178.354 177.300 -0.177 0.000 1.149 1046 P CA 1.035 63.945 63.100 -0.318 0.000 0.817 1046 P CB 0.678 32.176 31.700 -0.338 0.000 0.785 1047 Q N -0.419 119.231 119.800 -0.249 0.000 2.016 1047 Q HA -0.076 4.269 4.340 0.008 0.000 0.200 1047 Q C 2.454 178.491 176.000 0.062 0.000 0.978 1047 Q CA 1.008 56.786 55.803 -0.042 0.000 0.833 1047 Q CB -0.517 28.228 28.738 0.012 0.000 0.895 1047 Q HN 0.228 nan 8.270 nan 0.000 0.427 1048 I N 0.829 121.426 120.570 0.045 0.000 2.315 1048 I HA -0.268 3.906 4.170 0.008 0.000 0.248 1048 I C 1.197 177.377 176.117 0.104 0.000 1.117 1048 I CA 1.111 62.469 61.300 0.097 0.000 1.404 1048 I CB 0.042 38.081 38.000 0.066 0.000 1.071 1048 I HN 0.185 nan 8.210 nan 0.000 0.419 1049 D N -0.006 120.445 120.400 0.085 0.000 2.123 1049 D HA -0.267 4.378 4.640 0.008 0.000 0.196 1049 D C 1.850 178.187 176.300 0.062 0.000 0.992 1049 D CA 1.439 55.490 54.000 0.085 0.000 0.833 1049 D CB -0.404 40.434 40.800 0.062 0.000 0.954 1049 D HN 0.434 nan 8.370 nan 0.000 0.455 1050 Y N 1.364 121.658 120.300 -0.010 0.000 2.181 1050 Y HA -0.174 4.381 4.550 0.007 0.000 0.288 1050 Y C 2.264 178.171 175.900 0.012 0.000 1.146 1050 Y CA 1.749 59.846 58.100 -0.003 0.000 1.164 1050 Y CB -0.312 38.143 38.460 -0.009 0.000 0.982 1050 Y HN -0.047 nan 8.280 nan 0.000 0.515 1051 A N 0.405 123.318 122.820 0.155 0.000 1.883 1051 A HA -0.195 4.129 4.320 0.008 0.000 0.217 1051 A C 2.273 179.854 177.584 -0.004 0.000 1.186 1051 A CA 2.084 54.180 52.037 0.098 0.000 0.624 1051 A CB -1.136 17.950 19.000 0.142 0.000 0.822 1051 A HN 0.572 nan 8.150 nan 0.000 0.444 1052 I N -0.201 120.363 120.570 -0.012 0.000 2.179 1052 I HA -0.237 3.938 4.170 0.008 0.000 0.242 1052 I C 1.941 178.000 176.117 -0.097 0.000 1.088 1052 I CA 1.569 62.839 61.300 -0.050 0.000 1.357 1052 I CB -0.562 37.392 38.000 -0.076 0.000 1.051 1052 I HN 0.247 nan 8.210 nan 0.000 0.409 1053 D N 1.232 121.545 120.400 -0.144 0.000 2.097 1053 D HA -0.144 4.500 4.640 0.008 0.000 0.195 1053 D C 2.276 178.436 176.300 -0.233 0.000 0.989 1053 D CA 1.631 55.520 54.000 -0.184 0.000 0.827 1053 D CB -0.309 40.366 40.800 -0.207 0.000 0.966 1053 D HN 0.327 nan 8.370 nan 0.000 0.456 1054 A N 0.719 123.317 122.820 -0.370 0.000 1.908 1054 A HA -0.147 4.177 4.320 0.008 0.000 0.218 1054 A C 2.380 179.888 177.584 -0.127 0.000 1.181 1054 A CA 1.006 52.852 52.037 -0.319 0.000 0.627 1054 A CB -0.814 17.962 19.000 -0.374 0.000 0.818 1054 A HN 0.221 nan 8.150 nan 0.000 0.445 1055 L N -0.778 120.397 121.223 -0.080 0.000 2.093 1055 L HA -0.128 4.216 4.340 0.008 0.000 0.208 1055 L C 2.457 179.311 176.870 -0.027 0.000 1.085 1055 L CA 1.039 55.865 54.840 -0.022 0.000 0.755 1055 L CB -0.363 41.701 42.059 0.009 0.000 0.904 1055 L HN 0.403 nan 8.230 nan 0.000 0.435 1056 I N -0.242 120.298 120.570 -0.050 0.000 2.208 1056 I HA -0.307 3.868 4.170 0.008 0.000 0.245 1056 I C 2.552 178.646 176.117 -0.039 0.000 1.097 1056 I CA 1.172 62.447 61.300 -0.042 0.000 1.363 1056 I CB -0.155 37.810 38.000 -0.058 0.000 1.051 1056 I HN 0.280 nan 8.210 nan 0.000 0.413 1057 E N 1.554 121.721 120.200 -0.056 0.000 2.031 1057 E HA -0.250 4.105 4.350 0.008 0.000 0.193 1057 E C 1.966 178.552 176.600 -0.024 0.000 0.994 1057 E CA 1.723 58.097 56.400 -0.045 0.000 0.800 1057 E CB -0.155 29.507 29.700 -0.063 0.000 0.752 1057 E HN 0.411 nan 8.360 nan 0.000 0.447 1058 E N -0.577 119.612 120.200 -0.019 0.000 2.118 1058 E HA -0.182 4.172 4.350 0.008 0.000 0.195 1058 E C 1.777 178.380 176.600 0.005 0.000 0.992 1058 E CA 0.978 57.378 56.400 -0.001 0.000 0.804 1058 E CB -0.112 29.594 29.700 0.011 0.000 0.741 1058 E HN 0.201 nan 8.360 nan 0.000 0.458 1059 L N 0.646 121.872 121.223 0.004 0.000 2.465 1059 L HA -0.066 4.278 4.340 0.008 0.000 0.224 1059 L C 1.970 178.843 176.870 0.005 0.000 1.145 1059 L CA 1.129 55.975 54.840 0.011 0.000 0.834 1059 L CB -0.371 41.697 42.059 0.015 0.000 0.944 1059 L HN 0.002 nan 8.230 nan 0.000 0.451 1060 R N -0.596 119.903 120.500 -0.002 0.000 2.105 1060 R HA -0.066 4.278 4.340 0.008 0.000 0.239 1060 R C 0.295 176.595 176.300 0.001 0.000 1.135 1060 R CA 0.846 56.944 56.100 -0.003 0.000 0.967 1060 R CB -0.058 30.237 30.300 -0.007 0.000 0.861 1060 R HN 0.424 nan 8.270 nan 0.000 0.442 1061 N N 0.000 118.702 118.700 0.003 0.000 1.763 1061 N HA 0.000 4.745 4.740 0.008 0.000 0.220 1061 N CA 0.000 53.053 53.050 0.006 0.000 0.885 1061 N CB 0.000 38.489 38.487 0.004 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667