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 2dtg_1_E DATA FIRST_RESID 4 DATA SEQUENCE PGEVcPGMDI RNNLTRLHEL ENcSVIEGHL QILLMFKTRP EDFRDLSFPK DATA SEQUENCE LIMITDYLLL FRVYGLESLK DLFPNLTVIR GSRLFFNYAL VIFEMVHLKE DATA SEQUENCE LGLYNLMNIT RGSVRIEKNN ELcYLATIDW SRILDSVEDN HIVLNKDDNE DATA SEQUENCE EcGDIcPGTA KGKTNcPATV INGQFVERcW THSHcQKVcP TIcKSHGcTA DATA SEQUENCE EGLccHSEcL GNcSQPDDPT KcVAcRNFYL DGRcVETcPP PYYHFQDWRc DATA SEQUENCE VNFSFcQDLH HKcKNSRRQG cHQYVIHNNK cIPEcPSGYT MNSSNLLcTP DATA SEQUENCE cLGPcPKVcH LLEGEKTIDS VTSAQELRGc TVINGSLIIN IRGGNNLAAE DATA SEQUENCE LEANLGLIEE ISGYLKIRRS YALVSLSFFR KLRLIRGETL EIGNYSFYAL DATA SEQUENCE DNQNLRQLWD WSKHNLTITQ GKLFFHYNPK LcLSEIHKME EVSGTKGRQE DATA SEQUENCE RNDIALKTNG DQAScENELL KFSYIRTSFD KILLRWEPYW PPDFRDLLGF DATA SEQUENCE MLFYKEAPYQ NVTEFDGQDA CGSNSWTVVD IDPPLRSNDP KSQNHPGWLM DATA SEQUENCE RGLKPWTQYA IFVKTLVTFS DERRTYGAKS DIIYVQTDAT NPSVPLDPIS DATA SEQUENCE VSNSSSQIIL KWKPPSDPNG NITHYLVFWE RQAEDSELFE LDYcLKGLKL DATA SEQUENCE PSXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XEHRPFEKVV NKESLVISGL RHFTGYRIEL QAcNQDTPEE RcSVAAYVSA DATA SEQUENCE RTMPEAKADD IVGPVTHEIF ENNVVHLMWQ EPKEPNGLIV LYEVSYRRYG DATA SEQUENCE DEELHLcDTR KHFALERGCR LRGLSPGNYS VRIRATSLAG NGSWTEPTYF DATA SEQUENCE YVTDYL 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.256 177.300 -0.073 0.000 1.155 4 P CA 0.000 63.031 63.100 -0.115 0.000 0.800 4 P CB 0.000 31.538 31.700 -0.270 0.000 0.726 5 G N 0.450 109.229 108.800 -0.035 0.000 2.608 5 G HA2 0.227 4.187 3.960 -0.000 0.000 0.210 5 G HA3 0.227 4.187 3.960 -0.000 0.000 0.210 5 G C 0.295 175.187 174.900 -0.013 0.000 1.139 5 G CA 0.395 45.492 45.100 -0.004 0.000 0.812 5 G HN 0.427 nan 8.290 nan 0.000 0.529 6 E N -0.670 119.513 120.200 -0.028 0.000 2.340 6 E HA 0.638 4.987 4.350 -0.000 0.000 0.273 6 E C -1.604 174.977 176.600 -0.032 0.000 0.891 6 E CA -0.729 55.659 56.400 -0.020 0.000 0.757 6 E CB 2.335 32.029 29.700 -0.011 0.000 1.231 6 E HN -0.062 nan 8.360 nan 0.000 0.439 7 V N 3.147 123.057 119.914 -0.007 0.000 2.789 7 V HA 0.685 4.805 4.120 -0.000 0.000 0.311 7 V C -1.021 175.075 176.094 0.002 0.000 1.073 7 V CA -0.428 61.875 62.300 0.005 0.000 0.921 7 V CB 1.625 33.507 31.823 0.099 0.000 1.009 7 V HN 0.975 nan 8.190 nan 0.000 0.426 8 c N 5.381 123.962 118.600 -0.030 0.000 2.971 8 c HA 0.731 5.301 4.570 -0.000 0.000 0.310 8 c C -2.712 171.351 174.090 -0.045 0.000 1.285 8 c CA -1.191 55.116 56.329 -0.036 0.000 1.593 8 c CB 2.174 44.640 42.510 -0.073 0.000 2.076 8 c HN 0.699 nan 8.230 nan 0.000 0.472 9 P HA 0.362 nan 4.420 nan 0.000 0.283 9 P C -0.053 177.173 177.300 -0.123 0.000 1.271 9 P CA 0.194 63.263 63.100 -0.052 0.000 0.841 9 P CB 0.380 32.076 31.700 -0.007 0.000 1.122 10 G N 0.610 109.299 108.800 -0.184 0.000 2.707 10 G HA2 0.257 4.217 3.960 -0.000 0.000 0.231 10 G HA3 0.257 4.217 3.960 -0.000 0.000 0.231 10 G C -0.619 174.126 174.900 -0.258 0.000 1.246 10 G CA 0.152 45.052 45.100 -0.332 0.000 0.852 10 G HN 0.500 nan 8.290 nan 0.000 0.584 11 M N 0.260 119.701 119.600 -0.265 0.000 2.413 11 M HA 0.344 4.824 4.480 -0.000 0.000 0.287 11 M C -2.169 174.113 176.300 -0.030 0.000 1.186 11 M CA -0.636 54.588 55.300 -0.126 0.000 0.927 11 M CB 2.576 35.109 32.600 -0.110 0.000 1.715 11 M HN 0.449 nan 8.290 nan 0.000 0.478 12 D N 3.927 124.338 120.400 0.018 0.000 2.549 12 D HA 0.513 5.153 4.640 -0.000 0.000 0.251 12 D C -1.227 175.101 176.300 0.046 0.000 1.153 12 D CA -0.090 53.956 54.000 0.078 0.000 0.861 12 D CB 1.424 42.293 40.800 0.115 0.000 1.207 12 D HN 0.363 nan 8.370 nan 0.000 0.543 13 I N 2.588 123.187 120.570 0.048 0.000 2.378 13 I HA 0.555 4.725 4.170 -0.000 0.000 0.291 13 I C -0.058 176.078 176.117 0.031 0.000 0.992 13 I CA -0.889 60.433 61.300 0.038 0.000 1.154 13 I CB 1.178 39.203 38.000 0.043 0.000 1.315 13 I HN 0.338 nan 8.210 nan 0.000 0.448 14 R N 4.376 124.888 120.500 0.020 0.000 2.584 14 R HA 0.563 4.903 4.340 -0.000 0.000 0.276 14 R C -0.607 175.695 176.300 0.003 0.000 1.046 14 R CA -0.461 55.637 56.100 -0.003 0.000 0.906 14 R CB 1.811 32.108 30.300 -0.006 0.000 1.215 14 R HN 0.883 nan 8.270 nan 0.000 0.449 15 N N 0.507 119.194 118.700 -0.022 0.000 1.736 15 N HA -0.276 4.464 4.740 -0.000 0.000 0.186 15 N C -0.963 174.555 175.510 0.013 0.000 0.790 15 N CA 1.233 54.289 53.050 0.011 0.000 1.247 15 N CB -1.331 37.185 38.487 0.048 0.000 1.496 15 N HN 0.754 nan 8.380 nan 0.000 0.424 16 N N 1.182 119.901 118.700 0.032 0.000 2.356 16 N HA 0.056 4.796 4.740 -0.000 0.000 0.252 16 N C 0.276 175.814 175.510 0.047 0.000 1.241 16 N CA 0.380 53.453 53.050 0.038 0.000 0.861 16 N CB 0.309 38.822 38.487 0.045 0.000 1.075 16 N HN 0.407 nan 8.380 nan 0.000 0.461 17 L N 1.885 123.142 121.223 0.057 0.000 2.591 17 L HA -0.031 4.308 4.340 -0.000 0.000 0.228 17 L C 1.927 178.859 176.870 0.104 0.000 1.133 17 L CA 0.299 55.187 54.840 0.081 0.000 0.880 17 L CB -0.396 41.721 42.059 0.095 0.000 1.033 17 L HN 0.755 nan 8.230 nan 0.000 0.450 18 T N -2.861 111.763 114.554 0.118 0.000 2.649 18 T HA -0.328 4.021 4.350 -0.000 0.000 0.268 18 T C 2.030 176.826 174.700 0.159 0.000 1.036 18 T CA 1.290 63.484 62.100 0.158 0.000 1.157 18 T CB -0.356 68.574 68.868 0.103 0.000 0.861 18 T HN 0.301 nan 8.240 nan 0.000 0.445 19 R N 0.289 120.847 120.500 0.097 0.000 2.148 19 R HA 0.154 4.494 4.340 -0.000 0.000 0.223 19 R C 2.471 178.804 176.300 0.054 0.000 1.088 19 R CA 0.686 56.829 56.100 0.073 0.000 0.985 19 R CB -0.726 29.599 30.300 0.043 0.000 0.880 19 R HN 0.332 nan 8.270 nan 0.000 0.451 20 L N 1.044 122.290 121.223 0.038 0.000 2.051 20 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 20 L C 1.584 178.461 176.870 0.012 0.000 1.076 20 L CA 1.802 56.640 54.840 -0.004 0.000 0.758 20 L CB -0.621 41.483 42.059 0.075 0.000 0.890 20 L HN 0.235 nan 8.230 nan 0.000 0.433 21 H N -0.145 119.074 119.070 0.248 0.000 2.606 21 H HA 0.012 4.567 4.556 -0.000 0.000 0.283 21 H C 1.240 176.644 175.328 0.126 0.000 1.084 21 H CA 0.473 56.684 56.048 0.271 0.000 1.191 21 H CB -0.129 29.751 29.762 0.197 0.000 1.289 21 H HN 0.594 nan 8.280 nan 0.000 0.628 22 E N 0.162 120.416 120.200 0.090 0.000 2.476 22 E HA 0.084 4.434 4.350 -0.000 0.000 0.199 22 E C 1.089 177.661 176.600 -0.047 0.000 1.021 22 E CA 0.002 56.420 56.400 0.029 0.000 0.907 22 E CB 0.618 30.320 29.700 0.002 0.000 0.974 22 E HN 0.430 nan 8.360 nan 0.000 0.489 23 L N 0.396 121.520 121.223 -0.165 0.000 2.728 23 L HA 0.196 4.536 4.340 -0.000 0.000 0.238 23 L C 1.931 178.747 176.870 -0.090 0.000 1.143 23 L CA -0.036 54.659 54.840 -0.242 0.000 0.937 23 L CB 0.011 41.757 42.059 -0.522 0.000 1.225 23 L HN 0.081 nan 8.230 nan 0.000 0.507 24 E N 1.985 122.248 120.200 0.103 0.000 2.002 24 E HA -0.294 4.056 4.350 -0.000 0.000 0.213 24 E C 1.422 178.104 176.600 0.136 0.000 1.024 24 E CA 2.436 58.985 56.400 0.249 0.000 0.876 24 E CB -0.029 29.819 29.700 0.247 0.000 0.799 24 E HN 0.496 nan 8.360 nan 0.000 0.497 25 N N -0.186 118.568 118.700 0.089 0.000 2.247 25 N HA -0.162 4.577 4.740 -0.000 0.000 0.189 25 N C 0.634 176.163 175.510 0.032 0.000 1.009 25 N CA 0.487 53.571 53.050 0.056 0.000 0.872 25 N CB -0.371 38.141 38.487 0.042 0.000 0.980 25 N HN 0.166 nan 8.380 nan 0.000 0.436 26 c N -0.262 118.345 118.600 0.012 0.000 2.702 26 c HA 0.088 4.658 4.570 -0.000 0.000 0.411 26 c C 2.018 176.090 174.090 -0.030 0.000 1.286 26 c CA 0.394 56.706 56.329 -0.028 0.000 1.979 26 c CB 0.367 42.830 42.510 -0.078 0.000 2.728 26 c HN 0.464 nan 8.230 nan 0.000 0.652 27 S N 2.498 118.165 115.700 -0.056 0.000 3.148 27 S HA 0.249 4.719 4.470 -0.000 0.000 0.246 27 S C 0.023 174.546 174.600 -0.128 0.000 1.041 27 S CA 0.275 58.432 58.200 -0.071 0.000 0.813 27 S CB -0.048 63.115 63.200 -0.062 0.000 0.813 27 S HN 0.663 nan 8.310 nan 0.000 0.546 28 V N 3.055 122.878 119.914 -0.152 0.000 2.628 28 V HA 0.570 4.690 4.120 -0.000 0.000 0.306 28 V C -1.071 174.893 176.094 -0.216 0.000 1.045 28 V CA -0.920 61.240 62.300 -0.232 0.000 0.905 28 V CB 1.832 33.451 31.823 -0.341 0.000 0.997 28 V HN 0.472 nan 8.190 nan 0.000 0.436 29 I N 3.403 123.814 120.570 -0.263 0.000 2.307 29 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 29 I C 0.772 176.746 176.117 -0.237 0.000 1.021 29 I CA 0.015 61.176 61.300 -0.232 0.000 1.224 29 I CB 1.156 39.003 38.000 -0.255 0.000 1.376 29 I HN 0.725 nan 8.210 nan 0.000 0.470 30 E N 4.881 124.991 120.200 -0.151 0.000 2.452 30 E HA 0.407 4.756 4.350 -0.000 0.000 0.293 30 E C 0.609 177.138 176.600 -0.118 0.000 1.535 30 E CA -0.214 56.128 56.400 -0.096 0.000 1.816 30 E CB 0.284 30.004 29.700 0.033 0.000 1.494 30 E HN 0.965 nan 8.360 nan 0.000 0.464 31 G N 0.631 109.325 108.800 -0.177 0.000 2.609 31 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.082 31 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.082 31 G C -1.090 173.657 174.900 -0.256 0.000 1.075 31 G CA -0.663 44.316 45.100 -0.202 0.000 1.172 31 G HN 0.392 nan 8.290 nan 0.000 0.532 32 H N -0.331 118.538 119.070 -0.335 0.000 2.768 32 H HA 0.748 5.304 4.556 -0.000 0.000 0.371 32 H C -1.629 173.526 175.328 -0.289 0.000 1.151 32 H CA -0.922 54.819 56.048 -0.512 0.000 1.165 32 H CB 2.377 31.349 29.762 -1.317 0.000 1.722 32 H HN 0.564 nan 8.280 nan 0.000 0.543 33 L N 2.552 123.756 121.223 -0.033 0.000 2.296 33 L HA 0.352 4.692 4.340 -0.000 0.000 0.286 33 L C -0.944 176.022 176.870 0.161 0.000 1.023 33 L CA -0.507 54.327 54.840 -0.010 0.000 0.812 33 L CB 1.587 43.544 42.059 -0.170 0.000 1.223 33 L HN 0.746 nan 8.230 nan 0.000 0.421 34 Q N 5.771 125.681 119.800 0.182 0.000 2.303 34 Q HA 0.512 4.852 4.340 -0.000 0.000 0.267 34 Q C -1.400 174.669 176.000 0.115 0.000 1.011 34 Q CA -0.452 55.464 55.803 0.188 0.000 0.740 34 Q CB 2.526 31.422 28.738 0.263 0.000 1.250 34 Q HN 0.601 nan 8.270 nan 0.000 0.458 35 I N 5.436 126.070 120.570 0.107 0.000 2.406 35 I HA 0.588 4.758 4.170 -0.000 0.000 0.290 35 I C -0.300 175.865 176.117 0.080 0.000 0.999 35 I CA -0.642 60.714 61.300 0.093 0.000 1.124 35 I CB 1.179 39.252 38.000 0.122 0.000 1.289 35 I HN 0.456 nan 8.210 nan 0.000 0.441 36 L N 3.446 124.693 121.223 0.040 0.000 3.041 36 L HA 0.502 4.841 4.340 -0.000 0.000 0.278 36 L C -0.924 175.880 176.870 -0.110 0.000 1.051 36 L CA -1.192 53.659 54.840 0.018 0.000 0.957 36 L CB 1.368 43.474 42.059 0.080 0.000 1.538 36 L HN 0.317 nan 8.230 nan 0.000 0.393 37 L N 0.413 121.500 121.223 -0.226 0.000 3.854 37 L HA -0.165 4.174 4.340 -0.000 0.000 0.460 37 L C -0.445 176.044 176.870 -0.635 0.000 1.228 37 L CA 1.600 56.145 54.840 -0.492 0.000 0.760 37 L CB -1.562 40.425 42.059 -0.120 0.000 1.597 37 L HN 0.594 nan 8.230 nan 0.000 0.852 38 M N -1.048 118.102 119.600 -0.750 0.000 2.072 38 M HA 0.358 4.838 4.480 -0.000 0.000 0.331 38 M C 0.511 176.345 176.300 -0.778 0.000 1.004 38 M CA -0.156 54.849 55.300 -0.491 0.000 0.952 38 M CB 0.858 33.342 32.600 -0.195 0.000 1.511 38 M HN 0.040 nan 8.290 nan 0.000 0.422 39 F N 0.431 120.227 119.950 -0.256 0.000 2.602 39 F HA 0.241 4.768 4.527 -0.000 0.000 0.284 39 F C 1.961 177.754 175.800 -0.011 0.000 1.111 39 F CA -0.007 57.827 58.000 -0.276 0.000 1.405 39 F CB -0.008 38.861 39.000 -0.219 0.000 1.121 39 F HN 0.459 nan 8.300 nan 0.000 0.603 40 K N 0.235 120.726 120.400 0.151 0.000 2.148 40 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 40 K C 1.176 177.785 176.600 0.015 0.000 1.050 40 K CA 1.141 57.480 56.287 0.087 0.000 0.942 40 K CB -0.576 31.958 32.500 0.057 0.000 0.724 40 K HN 0.181 nan 8.250 nan 0.000 0.446 41 T N 1.494 116.019 114.554 -0.047 0.000 2.939 41 T HA -0.054 4.296 4.350 -0.000 0.000 0.312 41 T C 0.019 174.612 174.700 -0.179 0.000 1.064 41 T CA 0.221 62.216 62.100 -0.174 0.000 1.136 41 T CB 0.341 69.071 68.868 -0.230 0.000 1.035 41 T HN 0.013 nan 8.240 nan 0.000 0.538 42 R N 4.161 124.487 120.500 -0.291 0.000 2.808 42 R HA 0.402 4.741 4.340 -0.000 0.000 0.272 42 R C -1.718 174.398 176.300 -0.307 0.000 0.995 42 R CA -2.428 53.544 56.100 -0.215 0.000 0.917 42 R CB 1.346 31.587 30.300 -0.098 0.000 1.217 42 R HN 0.380 nan 8.270 nan 0.000 0.471 43 P HA -0.198 nan 4.420 nan 0.000 0.215 43 P C 0.268 177.538 177.300 -0.049 0.000 1.157 43 P CA 1.633 64.718 63.100 -0.024 0.000 0.874 43 P CB 0.311 32.045 31.700 0.058 0.000 0.790 44 E N -0.109 120.061 120.200 -0.051 0.000 2.339 44 E HA -0.202 4.148 4.350 -0.000 0.000 0.201 44 E C 1.318 177.877 176.600 -0.067 0.000 1.015 44 E CA 1.452 57.830 56.400 -0.037 0.000 0.841 44 E CB -0.740 28.942 29.700 -0.030 0.000 0.754 44 E HN 0.397 nan 8.360 nan 0.000 0.508 45 D N 0.001 120.294 120.400 -0.179 0.000 2.249 45 D HA -0.046 4.593 4.640 -0.000 0.000 0.205 45 D C 0.699 176.925 176.300 -0.123 0.000 0.962 45 D CA 0.621 54.490 54.000 -0.220 0.000 0.860 45 D CB -0.180 40.371 40.800 -0.414 0.000 0.955 45 D HN 0.254 nan 8.370 nan 0.000 0.505 46 F N 1.779 121.715 119.950 -0.023 0.000 2.697 46 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 46 F C 2.075 177.843 175.800 -0.054 0.000 1.203 46 F CA -0.761 57.209 58.000 -0.051 0.000 1.421 46 F CB 0.214 39.177 39.000 -0.062 0.000 1.033 46 F HN -0.096 nan 8.300 nan 0.000 0.512 47 R N 0.781 121.352 120.500 0.118 0.000 2.065 47 R HA -0.175 4.165 4.340 -0.000 0.000 0.224 47 R C 1.777 178.096 176.300 0.031 0.000 1.161 47 R CA 2.047 58.183 56.100 0.061 0.000 0.923 47 R CB -1.465 28.857 30.300 0.036 0.000 0.822 47 R HN 0.270 nan 8.270 nan 0.000 0.437 48 D N 1.232 121.650 120.400 0.031 0.000 2.149 48 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 48 D C 0.440 176.708 176.300 -0.054 0.000 0.990 48 D CA 0.325 54.328 54.000 0.005 0.000 0.839 48 D CB -0.021 40.798 40.800 0.031 0.000 0.948 48 D HN 0.137 nan 8.370 nan 0.000 0.460 49 L N 1.772 122.971 121.223 -0.039 0.000 2.894 49 L HA -0.088 4.252 4.340 -0.000 0.000 0.286 49 L C 0.245 176.871 176.870 -0.407 0.000 1.077 49 L CA 0.877 55.573 54.840 -0.240 0.000 1.070 49 L CB -1.064 40.954 42.059 -0.069 0.000 1.470 49 L HN 0.057 nan 8.230 nan 0.000 0.452 50 S N 4.314 119.660 115.700 -0.590 0.000 2.626 50 S HA 0.495 4.965 4.470 -0.000 0.000 0.275 50 S C -0.861 173.433 174.600 -0.510 0.000 1.175 50 S CA -0.553 57.374 58.200 -0.455 0.000 0.982 50 S CB 0.690 63.764 63.200 -0.210 0.000 1.093 50 S HN 0.256 nan 8.310 nan 0.000 0.472 51 F N 6.119 126.065 119.950 -0.006 0.000 2.334 51 F HA 0.406 4.932 4.527 -0.000 0.000 0.343 51 F C -1.515 174.323 175.800 0.063 0.000 1.136 51 F CA -2.048 55.995 58.000 0.073 0.000 1.237 51 F CB 1.208 40.317 39.000 0.180 0.000 1.525 51 F HN 0.399 nan 8.300 nan 0.000 0.528 52 P HA -0.178 nan 4.420 nan 0.000 0.216 52 P C 1.316 178.658 177.300 0.070 0.000 1.153 52 P CA 1.512 64.657 63.100 0.075 0.000 0.848 52 P CB 0.410 32.137 31.700 0.045 0.000 0.787 53 K N -0.714 119.739 120.400 0.088 0.000 2.127 53 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 53 K C 1.059 177.663 176.600 0.007 0.000 1.047 53 K CA 0.473 56.787 56.287 0.046 0.000 0.927 53 K CB -1.166 31.368 32.500 0.056 0.000 0.716 53 K HN 0.122 nan 8.250 nan 0.000 0.450 54 L N 1.884 123.122 121.223 0.025 0.000 2.477 54 L HA 0.005 4.345 4.340 -0.000 0.000 0.272 54 L C 0.519 177.337 176.870 -0.086 0.000 1.157 54 L CA 0.450 55.254 54.840 -0.060 0.000 0.889 54 L CB 0.254 42.260 42.059 -0.088 0.000 1.158 54 L HN 0.274 nan 8.230 nan 0.000 0.473 55 I N 2.628 123.117 120.570 -0.135 0.000 4.779 55 I HA 0.302 4.472 4.170 -0.000 0.000 0.339 55 I C -0.171 175.836 176.117 -0.184 0.000 1.293 55 I CA 0.285 61.501 61.300 -0.140 0.000 1.324 55 I CB 0.001 37.936 38.000 -0.110 0.000 1.424 55 I HN 0.581 nan 8.210 nan 0.000 0.489 56 M N 1.791 121.251 119.600 -0.234 0.000 2.322 56 M HA 0.522 5.002 4.480 -0.000 0.000 0.285 56 M C -2.188 173.914 176.300 -0.331 0.000 1.119 56 M CA -0.275 54.854 55.300 -0.285 0.000 0.953 56 M CB 3.532 35.929 32.600 -0.337 0.000 1.701 56 M HN 0.020 nan 8.290 nan 0.000 0.479 57 I N 2.092 122.480 120.570 -0.304 0.000 2.509 57 I HA 0.306 4.476 4.170 -0.000 0.000 0.293 57 I C 1.274 177.222 176.117 -0.282 0.000 1.020 57 I CA -0.190 60.934 61.300 -0.293 0.000 1.088 57 I CB 2.639 40.492 38.000 -0.244 0.000 1.267 57 I HN 0.850 nan 8.210 nan 0.000 0.430 58 T N 1.011 115.386 114.554 -0.298 0.000 2.698 58 T HA -0.054 4.295 4.350 -0.000 0.000 0.260 58 T C 0.842 175.460 174.700 -0.136 0.000 1.044 58 T CA 1.262 63.212 62.100 -0.250 0.000 1.149 58 T CB -0.019 68.719 68.868 -0.217 0.000 0.864 58 T HN 0.511 nan 8.240 nan 0.000 0.419 59 D N 1.066 121.389 120.400 -0.128 0.000 2.130 59 D HA 0.285 4.925 4.640 -0.000 0.000 0.292 59 D C 0.244 176.546 176.300 0.004 0.000 1.146 59 D CA 0.721 54.677 54.000 -0.073 0.000 0.883 59 D CB -0.324 40.378 40.800 -0.163 0.000 0.936 59 D HN 0.666 nan 8.370 nan 0.000 0.298 60 Y N -1.332 119.034 120.300 0.109 0.000 2.662 60 Y HA 0.692 5.241 4.550 -0.000 0.000 0.335 60 Y C -1.321 174.603 175.900 0.039 0.000 1.066 60 Y CA -1.718 56.428 58.100 0.076 0.000 1.116 60 Y CB 0.642 39.179 38.460 0.129 0.000 1.308 60 Y HN 0.016 nan 8.280 nan 0.000 0.502 61 L N 2.984 124.396 121.223 0.315 0.000 2.388 61 L HA 0.555 4.895 4.340 -0.000 0.000 0.267 61 L C -1.615 175.339 176.870 0.140 0.000 0.995 61 L CA -0.620 54.320 54.840 0.167 0.000 0.864 61 L CB 1.039 43.101 42.059 0.005 0.000 1.216 61 L HN 0.823 nan 8.230 nan 0.000 0.430 62 L N 4.820 126.128 121.223 0.143 0.000 2.322 62 L HA 0.709 5.048 4.340 -0.000 0.000 0.279 62 L C -1.553 175.329 176.870 0.020 0.000 1.036 62 L CA -0.407 54.390 54.840 -0.071 0.000 0.807 62 L CB 1.307 43.139 42.059 -0.379 0.000 1.226 62 L HN 0.527 nan 8.230 nan 0.000 0.433 63 L N 5.570 126.803 121.223 0.017 0.000 2.471 63 L HA 0.439 4.779 4.340 -0.000 0.000 0.263 63 L C -0.625 176.302 176.870 0.095 0.000 0.985 63 L CA 0.098 54.983 54.840 0.076 0.000 0.868 63 L CB 1.084 43.186 42.059 0.073 0.000 1.203 63 L HN 0.555 nan 8.230 nan 0.000 0.429 64 F N 2.380 122.317 119.950 -0.021 0.000 2.272 64 F HA 0.459 4.986 4.527 -0.000 0.000 0.316 64 F C 1.166 176.976 175.800 0.016 0.000 1.068 64 F CA -0.506 57.502 58.000 0.013 0.000 1.114 64 F CB 0.604 39.586 39.000 -0.030 0.000 1.611 64 F HN 0.229 nan 8.300 nan 0.000 0.519 65 R N 1.315 121.967 120.500 0.254 0.000 3.110 65 R HA 0.064 4.404 4.340 -0.000 0.000 0.347 65 R C -1.295 174.898 176.300 -0.177 0.000 0.931 65 R CA 0.113 56.276 56.100 0.105 0.000 1.003 65 R CB -0.982 29.396 30.300 0.130 0.000 0.955 65 R HN 0.151 nan 8.270 nan 0.000 0.405 66 V N 5.947 125.880 119.914 0.032 0.000 2.284 66 V HA 0.123 4.242 4.120 -0.000 0.000 0.274 66 V C -0.367 175.851 176.094 0.207 0.000 1.023 66 V CA -0.829 61.476 62.300 0.009 0.000 0.808 66 V CB 0.494 32.368 31.823 0.085 0.000 1.035 66 V HN 0.428 nan 8.190 nan 0.000 0.445 67 Y N 2.728 122.935 120.300 -0.153 0.000 2.442 67 Y HA 0.490 5.040 4.550 -0.000 0.000 0.330 67 Y C 1.511 177.178 175.900 -0.388 0.000 1.129 67 Y CA 0.340 58.238 58.100 -0.338 0.000 1.365 67 Y CB 0.628 38.968 38.460 -0.199 0.000 1.233 67 Y HN 0.805 nan 8.280 nan 0.000 0.529 68 G N 1.973 110.433 108.800 -0.566 0.000 2.254 68 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 68 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 68 G C -0.108 174.922 174.900 0.217 0.000 1.003 68 G CA -0.156 44.810 45.100 -0.224 0.000 0.622 68 G HN 0.614 nan 8.290 nan 0.000 0.507 69 L N 1.259 122.742 121.223 0.433 0.000 2.313 69 L HA 0.640 4.980 4.340 -0.000 0.000 0.282 69 L C 1.052 178.028 176.870 0.178 0.000 1.092 69 L CA -0.184 54.865 54.840 0.350 0.000 0.831 69 L CB 0.801 42.887 42.059 0.045 0.000 1.159 69 L HN 0.302 nan 8.230 nan 0.000 0.442 70 E N 2.032 122.313 120.200 0.135 0.000 2.511 70 E HA 0.162 4.511 4.350 -0.000 0.000 0.209 70 E C -0.512 176.130 176.600 0.070 0.000 0.986 70 E CA -0.090 56.382 56.400 0.119 0.000 0.974 70 E CB 0.895 30.671 29.700 0.126 0.000 1.030 70 E HN 0.457 nan 8.360 nan 0.000 0.490 71 S N 0.095 115.801 115.700 0.010 0.000 2.582 71 S HA 0.116 4.586 4.470 -0.000 0.000 0.296 71 S C -0.280 174.258 174.600 -0.105 0.000 1.118 71 S CA -0.542 57.657 58.200 -0.000 0.000 0.947 71 S CB 0.599 63.837 63.200 0.063 0.000 1.131 71 S HN -0.000 nan 8.310 nan 0.000 0.453 72 L N 4.349 125.507 121.223 -0.109 0.000 2.353 72 L HA 0.037 4.377 4.340 -0.000 0.000 0.220 72 L C 2.676 179.412 176.870 -0.224 0.000 1.133 72 L CA 1.339 56.050 54.840 -0.216 0.000 0.798 72 L CB -0.923 41.086 42.059 -0.085 0.000 0.922 72 L HN 0.743 nan 8.230 nan 0.000 0.445 73 K N 0.300 120.635 120.400 -0.108 0.000 2.089 73 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 73 K C 1.392 177.943 176.600 -0.083 0.000 1.048 73 K CA 2.031 58.286 56.287 -0.052 0.000 0.926 73 K CB -0.148 32.416 32.500 0.107 0.000 0.714 73 K HN 0.289 nan 8.250 nan 0.000 0.448 74 D N 0.200 120.532 120.400 -0.113 0.000 2.249 74 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 74 D C 1.937 178.080 176.300 -0.262 0.000 0.962 74 D CA 0.286 54.209 54.000 -0.128 0.000 0.860 74 D CB 0.160 40.903 40.800 -0.096 0.000 0.955 74 D HN 0.130 nan 8.370 nan 0.000 0.505 75 L N -0.679 120.279 121.223 -0.442 0.000 2.049 75 L HA 0.048 4.388 4.340 -0.000 0.000 0.203 75 L C 0.600 177.082 176.870 -0.645 0.000 1.074 75 L CA 1.381 55.773 54.840 -0.748 0.000 0.749 75 L CB -0.040 41.284 42.059 -1.225 0.000 0.907 75 L HN -0.113 nan 8.230 nan 0.000 0.439 76 F N -0.193 119.683 119.950 -0.123 0.000 2.597 76 F HA 0.327 4.853 4.527 -0.000 0.000 0.336 76 F C -1.489 174.136 175.800 -0.291 0.000 1.432 76 F CA -1.405 56.508 58.000 -0.146 0.000 1.120 76 F CB 0.227 39.145 39.000 -0.138 0.000 1.253 76 F HN 0.019 nan 8.300 nan 0.000 0.546 77 P HA -0.119 nan 4.420 nan 0.000 0.222 77 P C 0.582 177.603 177.300 -0.465 0.000 1.147 77 P CA 1.388 64.218 63.100 -0.450 0.000 0.790 77 P CB 0.382 31.969 31.700 -0.189 0.000 0.780 78 N N -1.050 117.523 118.700 -0.212 0.000 2.184 78 N HA 0.072 4.812 4.740 -0.000 0.000 0.206 78 N C 0.315 175.729 175.510 -0.160 0.000 1.151 78 N CA -0.312 52.637 53.050 -0.167 0.000 0.878 78 N CB -0.350 38.092 38.487 -0.075 0.000 1.014 78 N HN 0.082 nan 8.380 nan 0.000 0.512 79 L N 1.690 122.815 121.223 -0.164 0.000 2.597 79 L HA 0.075 4.415 4.340 -0.000 0.000 0.271 79 L C 0.788 177.544 176.870 -0.189 0.000 1.157 79 L CA 1.039 55.773 54.840 -0.177 0.000 0.928 79 L CB -0.002 41.946 42.059 -0.187 0.000 1.216 79 L HN 0.010 nan 8.230 nan 0.000 0.481 80 T N 3.241 117.704 114.554 -0.151 0.000 3.018 80 T HA 0.278 4.628 4.350 -0.000 0.000 0.246 80 T C 0.211 174.857 174.700 -0.089 0.000 1.026 80 T CA 0.354 62.385 62.100 -0.115 0.000 1.081 80 T CB 0.329 69.146 68.868 -0.084 0.000 0.970 80 T HN 0.322 nan 8.240 nan 0.000 0.475 81 V N 2.009 121.855 119.914 -0.112 0.000 2.888 81 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 81 V C -1.358 174.664 176.094 -0.121 0.000 1.114 81 V CA -1.113 61.130 62.300 -0.096 0.000 0.940 81 V CB 2.481 34.243 31.823 -0.100 0.000 1.021 81 V HN 0.245 nan 8.190 nan 0.000 0.426 82 I N 3.859 124.385 120.570 -0.074 0.000 2.466 82 I HA 0.427 4.597 4.170 -0.000 0.000 0.279 82 I C 1.262 177.351 176.117 -0.047 0.000 1.033 82 I CA -0.611 60.647 61.300 -0.071 0.000 1.123 82 I CB 1.534 39.524 38.000 -0.017 0.000 1.237 82 I HN 0.743 nan 8.210 nan 0.000 0.460 83 R N 3.896 124.343 120.500 -0.089 0.000 2.148 83 R HA 0.104 4.444 4.340 -0.000 0.000 0.223 83 R C 1.219 177.508 176.300 -0.018 0.000 1.088 83 R CA 0.724 56.785 56.100 -0.064 0.000 0.985 83 R CB -0.279 29.956 30.300 -0.109 0.000 0.880 83 R HN 0.825 nan 8.270 nan 0.000 0.451 84 G N 1.816 110.611 108.800 -0.008 0.000 2.338 84 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.296 84 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.296 84 G C 0.682 175.608 174.900 0.044 0.000 1.040 84 G CA 0.541 45.672 45.100 0.052 0.000 1.004 84 G HN 0.487 nan 8.290 nan 0.000 0.509 85 S N -1.529 114.179 115.700 0.013 0.000 2.465 85 S HA 0.057 4.527 4.470 -0.000 0.000 0.241 85 S C 1.217 175.843 174.600 0.044 0.000 1.000 85 S CA 1.268 59.482 58.200 0.024 0.000 0.964 85 S CB 0.401 63.612 63.200 0.020 0.000 0.763 85 S HN 0.538 nan 8.310 nan 0.000 0.512 86 R N 1.252 121.792 120.500 0.066 0.000 2.713 86 R HA 0.350 4.689 4.340 -0.000 0.000 0.282 86 R C -1.487 174.941 176.300 0.213 0.000 1.472 86 R CA -1.367 54.792 56.100 0.099 0.000 1.060 86 R CB 0.432 30.788 30.300 0.094 0.000 1.237 86 R HN 0.293 nan 8.270 nan 0.000 0.484 87 L N 1.087 122.421 121.223 0.186 0.000 2.417 87 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 87 L C 0.201 177.263 176.870 0.320 0.000 1.158 87 L CA -0.413 54.594 54.840 0.278 0.000 0.819 87 L CB -0.134 41.999 42.059 0.123 0.000 1.112 87 L HN 0.464 nan 8.230 nan 0.000 0.458 88 F N 4.828 124.826 119.950 0.079 0.000 2.552 88 F HA 0.305 4.832 4.527 -0.000 0.000 0.342 88 F C -0.119 175.698 175.800 0.028 0.000 1.257 88 F CA -0.124 57.654 58.000 -0.370 0.000 1.058 88 F CB -0.741 37.352 39.000 -1.511 0.000 1.288 88 F HN 0.409 nan 8.300 nan 0.000 0.627 89 F N 5.356 125.014 119.950 -0.487 0.000 2.783 89 F HA -0.389 4.138 4.527 -0.000 0.000 0.222 89 F C 1.195 176.808 175.800 -0.312 0.000 1.028 89 F CA 1.263 59.024 58.000 -0.400 0.000 0.862 89 F CB -1.820 36.856 39.000 -0.540 0.000 0.744 89 F HN 0.868 nan 8.300 nan 0.000 0.850 90 N N -2.561 116.017 118.700 -0.203 0.000 2.900 90 N HA -0.250 4.490 4.740 -0.000 0.000 0.182 90 N C -0.203 175.040 175.510 -0.446 0.000 1.439 90 N CA 0.778 53.581 53.050 -0.411 0.000 1.810 90 N CB -0.931 37.170 38.487 -0.643 0.000 0.985 90 N HN 0.395 nan 8.380 nan 0.000 0.579 91 Y N 0.499 120.851 120.300 0.088 0.000 2.360 91 Y HA 0.643 5.193 4.550 -0.000 0.000 0.337 91 Y C 1.026 176.974 175.900 0.080 0.000 1.039 91 Y CA -0.167 57.968 58.100 0.059 0.000 1.109 91 Y CB 1.701 40.182 38.460 0.035 0.000 1.201 91 Y HN 0.163 nan 8.280 nan 0.000 0.458 92 A N 2.629 125.584 122.820 0.227 0.000 1.970 92 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 92 A C 0.016 177.713 177.584 0.189 0.000 1.170 92 A CA 0.916 53.076 52.037 0.206 0.000 0.645 92 A CB 0.086 19.169 19.000 0.138 0.000 0.816 92 A HN 0.559 nan 8.150 nan 0.000 0.447 93 L N -0.226 121.063 121.223 0.111 0.000 2.401 93 L HA 0.637 4.977 4.340 -0.000 0.000 0.266 93 L C -1.056 175.805 176.870 -0.014 0.000 0.991 93 L CA -0.896 53.975 54.840 0.052 0.000 0.818 93 L CB 2.474 44.550 42.059 0.029 0.000 1.321 93 L HN 0.290 nan 8.230 nan 0.000 0.413 94 V N 2.800 122.683 119.914 -0.051 0.000 2.577 94 V HA 0.602 4.721 4.120 -0.000 0.000 0.294 94 V C -1.133 174.926 176.094 -0.057 0.000 1.052 94 V CA -0.588 61.652 62.300 -0.099 0.000 0.891 94 V CB 1.476 33.165 31.823 -0.223 0.000 1.017 94 V HN 0.528 nan 8.190 nan 0.000 0.436 95 I N 5.832 126.389 120.570 -0.022 0.000 2.359 95 I HA 0.605 4.775 4.170 -0.000 0.000 0.284 95 I C -0.664 175.455 176.117 0.003 0.000 1.018 95 I CA -1.054 60.246 61.300 0.000 0.000 1.173 95 I CB 0.872 38.887 38.000 0.025 0.000 1.326 95 I HN 0.745 nan 8.210 nan 0.000 0.462 96 F N 4.406 124.202 119.950 -0.255 0.000 2.569 96 F HA 0.363 4.890 4.527 -0.000 0.000 0.312 96 F C 1.114 176.662 175.800 -0.420 0.000 1.109 96 F CA -0.345 57.432 58.000 -0.372 0.000 0.919 96 F CB 1.493 40.139 39.000 -0.590 0.000 1.211 96 F HN 0.640 nan 8.300 nan 0.000 0.446 97 E N 3.420 123.401 120.200 -0.365 0.000 2.885 97 E HA -0.261 4.089 4.350 -0.000 0.000 0.267 97 E C 0.041 176.635 176.600 -0.010 0.000 1.100 97 E CA 0.447 56.750 56.400 -0.162 0.000 0.779 97 E CB -0.560 29.119 29.700 -0.035 0.000 1.383 97 E HN 0.443 nan 8.360 nan 0.000 0.443 98 M N 1.448 121.034 119.600 -0.024 0.000 3.268 98 M HA 0.005 4.484 4.480 -0.000 0.000 0.249 98 M C 1.675 178.029 176.300 0.089 0.000 1.527 98 M CA 0.336 55.675 55.300 0.067 0.000 1.645 98 M CB -0.567 32.059 32.600 0.043 0.000 1.193 98 M HN 0.100 nan 8.290 nan 0.000 0.534 99 V N 1.766 121.767 119.914 0.145 0.000 2.288 99 V HA -0.335 3.784 4.120 -0.000 0.000 0.229 99 V C 1.936 178.091 176.094 0.103 0.000 0.983 99 V CA 1.726 64.082 62.300 0.093 0.000 1.006 99 V CB -1.451 30.409 31.823 0.060 0.000 0.660 99 V HN 0.738 nan 8.190 nan 0.000 0.490 100 H N 0.218 119.273 119.070 -0.026 0.000 2.509 100 H HA -0.153 4.403 4.556 -0.000 0.000 0.293 100 H C 1.263 176.602 175.328 0.019 0.000 1.125 100 H CA 1.237 57.283 56.048 -0.003 0.000 1.188 100 H CB -0.445 29.333 29.762 0.027 0.000 1.349 100 H HN 0.384 nan 8.280 nan 0.000 0.528 101 L N 2.782 124.092 121.223 0.146 0.000 2.562 101 L HA -0.076 4.264 4.340 -0.000 0.000 0.271 101 L C 1.342 178.246 176.870 0.055 0.000 1.167 101 L CA 0.266 55.160 54.840 0.091 0.000 0.917 101 L CB 0.409 42.513 42.059 0.074 0.000 1.187 101 L HN 0.228 nan 8.230 nan 0.000 0.482 102 K N 2.734 123.168 120.400 0.057 0.000 2.370 102 K HA 0.221 4.540 4.320 -0.000 0.000 0.194 102 K C -0.536 176.092 176.600 0.046 0.000 1.070 102 K CA -0.124 56.177 56.287 0.024 0.000 0.998 102 K CB 0.494 33.001 32.500 0.012 0.000 0.911 102 K HN 0.618 nan 8.250 nan 0.000 0.533 103 E N 0.508 120.779 120.200 0.118 0.000 2.343 103 E HA 0.251 4.600 4.350 -0.000 0.000 0.278 103 E C -0.068 176.656 176.600 0.206 0.000 0.910 103 E CA -0.695 55.839 56.400 0.222 0.000 0.757 103 E CB 1.707 31.619 29.700 0.354 0.000 1.218 103 E HN -0.143 nan 8.360 nan 0.000 0.435 104 L N 1.500 122.881 121.223 0.262 0.000 1.961 104 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 104 L C 1.781 178.709 176.870 0.096 0.000 1.072 104 L CA 2.498 57.458 54.840 0.200 0.000 0.749 104 L CB -0.525 41.712 42.059 0.298 0.000 0.889 104 L HN 1.077 nan 8.230 nan 0.000 0.432 105 G N -1.190 107.684 108.800 0.124 0.000 2.234 105 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.235 105 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.235 105 G C 0.293 175.060 174.900 -0.222 0.000 0.997 105 G CA 0.107 45.236 45.100 0.047 0.000 0.623 105 G HN 0.207 nan 8.290 nan 0.000 0.514 106 L N 2.178 123.095 121.223 -0.511 0.000 2.462 106 L HA 0.418 4.757 4.340 -0.000 0.000 0.283 106 L C 1.505 177.442 176.870 -1.555 0.000 1.166 106 L CA -0.646 53.690 54.840 -0.840 0.000 0.964 106 L CB -0.537 41.149 42.059 -0.621 0.000 1.294 106 L HN 0.419 nan 8.230 nan 0.000 0.449 107 Y N -0.829 118.837 120.300 -1.055 0.000 2.500 107 Y HA 0.207 4.756 4.550 -0.000 0.000 0.270 107 Y C 1.821 177.507 175.900 -0.356 0.000 1.134 107 Y CA -0.184 57.360 58.100 -0.926 0.000 1.293 107 Y CB -0.338 37.938 38.460 -0.306 0.000 1.063 107 Y HN 0.385 nan 8.280 nan 0.000 0.534 108 N N 0.972 119.352 118.700 -0.534 0.000 2.415 108 N HA 0.021 4.760 4.740 -0.000 0.000 0.176 108 N C 0.133 175.538 175.510 -0.176 0.000 1.042 108 N CA 0.134 53.029 53.050 -0.259 0.000 0.902 108 N CB 0.042 38.340 38.487 -0.315 0.000 0.986 108 N HN 0.340 nan 8.380 nan 0.000 0.447 109 L N 1.219 122.273 121.223 -0.281 0.000 2.628 109 L HA -0.071 4.268 4.340 -0.000 0.000 0.274 109 L C 0.931 177.824 176.870 0.040 0.000 1.209 109 L CA 0.555 55.310 54.840 -0.141 0.000 0.930 109 L CB 0.279 42.202 42.059 -0.227 0.000 1.183 109 L HN 0.149 nan 8.230 nan 0.000 0.492 110 M N 3.143 122.780 119.600 0.062 0.000 2.109 110 M HA 0.200 4.680 4.480 -0.000 0.000 0.372 110 M C -0.160 176.202 176.300 0.105 0.000 0.840 110 M CA 0.041 55.406 55.300 0.109 0.000 1.128 110 M CB 0.683 33.335 32.600 0.087 0.000 2.136 110 M HN 0.515 nan 8.290 nan 0.000 0.723 111 N N 1.188 119.937 118.700 0.083 0.000 2.542 111 N HA 0.391 5.131 4.740 -0.000 0.000 0.288 111 N C -1.669 173.882 175.510 0.068 0.000 1.115 111 N CA -0.147 52.949 53.050 0.077 0.000 0.924 111 N CB 2.082 40.592 38.487 0.038 0.000 1.526 111 N HN 0.113 nan 8.380 nan 0.000 0.515 112 I N 3.691 124.323 120.570 0.104 0.000 2.682 112 I HA 0.005 4.175 4.170 -0.000 0.000 0.302 112 I C 2.017 178.172 176.117 0.062 0.000 1.180 112 I CA -0.160 61.193 61.300 0.088 0.000 1.146 112 I CB 0.332 38.411 38.000 0.132 0.000 1.756 112 I HN 0.671 nan 8.210 nan 0.000 0.559 113 T N 1.706 116.278 114.554 0.031 0.000 2.515 113 T HA -0.351 3.999 4.350 -0.000 0.000 0.246 113 T C 1.148 175.863 174.700 0.026 0.000 1.268 113 T CA 1.560 63.670 62.100 0.016 0.000 1.136 113 T CB -0.131 68.726 68.868 -0.017 0.000 0.847 113 T HN 0.562 nan 8.240 nan 0.000 0.442 114 R N 1.427 121.943 120.500 0.026 0.000 2.422 114 R HA 0.554 4.893 4.340 -0.000 0.000 0.307 114 R C -0.154 176.174 176.300 0.046 0.000 1.004 114 R CA 0.108 56.228 56.100 0.032 0.000 0.882 114 R CB 1.022 31.336 30.300 0.023 0.000 1.164 114 R HN 0.934 nan 8.270 nan 0.000 0.489 115 G N 1.463 110.293 108.800 0.050 0.000 2.361 115 G HA2 0.051 4.011 3.960 -0.000 0.000 0.331 115 G HA3 0.051 4.011 3.960 -0.000 0.000 0.331 115 G C -1.406 173.538 174.900 0.074 0.000 1.324 115 G CA -0.345 44.792 45.100 0.062 0.000 0.984 115 G HN 0.691 nan 8.290 nan 0.000 0.586 116 S N -2.117 113.651 115.700 0.114 0.000 2.806 116 S HA 0.866 5.335 4.470 -0.000 0.000 0.315 116 S C -0.911 173.761 174.600 0.119 0.000 1.127 116 S CA -0.505 57.773 58.200 0.131 0.000 0.918 116 S CB 1.983 65.327 63.200 0.240 0.000 1.240 116 S HN 1.845 nan 8.310 nan 0.000 0.552 117 V N 0.746 120.628 119.914 -0.054 0.000 2.588 117 V HA 0.723 4.843 4.120 -0.000 0.000 0.304 117 V C -1.251 174.599 176.094 -0.407 0.000 1.042 117 V CA -0.740 61.416 62.300 -0.240 0.000 0.877 117 V CB 1.768 33.246 31.823 -0.576 0.000 0.996 117 V HN 0.858 nan 8.190 nan 0.000 0.425 118 R N 6.042 126.262 120.500 -0.467 0.000 2.272 118 R HA 0.627 4.967 4.340 -0.000 0.000 0.323 118 R C -1.329 174.831 176.300 -0.234 0.000 1.002 118 R CA -0.149 55.585 56.100 -0.610 0.000 0.900 118 R CB 0.677 30.397 30.300 -0.966 0.000 1.151 118 R HN 0.704 nan 8.270 nan 0.000 0.507 119 I N 4.743 125.207 120.570 -0.176 0.000 2.420 119 I HA 0.356 4.526 4.170 -0.000 0.000 0.282 119 I C -0.672 175.384 176.117 -0.102 0.000 1.019 119 I CA -0.419 60.828 61.300 -0.089 0.000 1.130 119 I CB 1.442 39.418 38.000 -0.040 0.000 1.262 119 I HN 0.667 nan 8.210 nan 0.000 0.454 120 E N 5.590 125.702 120.200 -0.145 0.000 2.390 120 E HA 0.469 4.819 4.350 -0.000 0.000 0.280 120 E C -1.136 175.145 176.600 -0.530 0.000 0.992 120 E CA -1.112 55.131 56.400 -0.262 0.000 0.790 120 E CB 1.546 31.152 29.700 -0.158 0.000 1.248 120 E HN 0.332 nan 8.360 nan 0.000 0.447 121 K N 1.540 121.694 120.400 -0.410 0.000 3.585 121 K HA -0.142 4.178 4.320 -0.000 0.000 0.275 121 K C -0.393 176.017 176.600 -0.317 0.000 1.026 121 K CA 0.675 56.713 56.287 -0.414 0.000 0.800 121 K CB -1.384 30.718 32.500 -0.664 0.000 1.401 121 K HN 0.611 nan 8.250 nan 0.000 0.453 122 N N 0.396 118.979 118.700 -0.195 0.000 2.257 122 N HA 0.004 4.744 4.740 -0.000 0.000 0.200 122 N C 0.377 175.834 175.510 -0.088 0.000 1.163 122 N CA -0.160 52.818 53.050 -0.121 0.000 0.891 122 N CB 0.245 38.683 38.487 -0.082 0.000 1.067 122 N HN 0.391 nan 8.380 nan 0.000 0.497 123 N N 0.918 119.561 118.700 -0.095 0.000 2.644 123 N HA -0.215 4.524 4.740 -0.000 0.000 0.248 123 N C -0.304 175.161 175.510 -0.076 0.000 1.150 123 N CA 0.992 53.992 53.050 -0.083 0.000 0.727 123 N CB 0.042 38.478 38.487 -0.084 0.000 1.091 123 N HN 0.355 nan 8.380 nan 0.000 0.556 124 E N -1.169 118.993 120.200 -0.064 0.000 2.626 124 E HA 0.099 4.449 4.350 -0.000 0.000 0.194 124 E C -0.093 176.484 176.600 -0.040 0.000 0.950 124 E CA -0.383 55.984 56.400 -0.055 0.000 1.583 124 E CB -0.260 29.412 29.700 -0.046 0.000 1.881 124 E HN 0.117 nan 8.360 nan 0.000 0.979 125 L N 2.212 123.419 121.223 -0.026 0.000 2.597 125 L HA 0.008 4.348 4.340 -0.000 0.000 0.271 125 L C 1.015 177.870 176.870 -0.026 0.000 1.157 125 L CA 0.544 55.385 54.840 0.002 0.000 0.928 125 L CB -0.014 42.057 42.059 0.021 0.000 1.216 125 L HN 0.191 nan 8.230 nan 0.000 0.481 126 c N 4.998 123.565 118.600 -0.055 0.000 2.742 126 c HA 0.102 4.672 4.570 -0.000 0.000 0.284 126 c C 1.050 175.067 174.090 -0.120 0.000 1.481 126 c CA -0.330 55.901 56.329 -0.163 0.000 1.809 126 c CB -0.199 42.104 42.510 -0.346 0.000 1.991 126 c HN 0.679 nan 8.230 nan 0.000 0.660 127 Y N 1.965 122.296 120.300 0.053 0.000 2.518 127 Y HA 0.182 4.732 4.550 -0.000 0.000 0.337 127 Y C 1.077 177.007 175.900 0.049 0.000 1.261 127 Y CA 0.100 58.224 58.100 0.039 0.000 1.856 127 Y CB -0.131 38.370 38.460 0.068 0.000 1.798 127 Y HN 0.382 nan 8.280 nan 0.000 0.440 128 L N 0.388 121.702 121.223 0.152 0.000 2.902 128 L HA 0.253 4.593 4.340 -0.000 0.000 0.254 128 L C 1.895 178.818 176.870 0.088 0.000 1.115 128 L CA 0.375 55.305 54.840 0.150 0.000 0.947 128 L CB 0.403 42.551 42.059 0.148 0.000 1.369 128 L HN 0.524 nan 8.230 nan 0.000 0.538 129 A N -0.826 122.018 122.820 0.041 0.000 2.252 129 A HA 0.040 4.359 4.320 -0.000 0.000 0.213 129 A C 1.921 179.468 177.584 -0.063 0.000 1.188 129 A CA 0.932 52.970 52.037 0.002 0.000 0.863 129 A CB -0.342 18.660 19.000 0.004 0.000 0.893 129 A HN 0.382 nan 8.150 nan 0.000 0.495 130 T N -0.961 113.552 114.554 -0.067 0.000 3.014 130 T HA 0.192 4.542 4.350 -0.000 0.000 0.263 130 T C 0.960 175.461 174.700 -0.331 0.000 1.078 130 T CA 0.555 62.567 62.100 -0.148 0.000 1.135 130 T CB -0.634 68.193 68.868 -0.069 0.000 0.895 130 T HN 0.556 nan 8.240 nan 0.000 0.480 131 I N 0.284 120.585 120.570 -0.447 0.000 2.532 131 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 131 I C -1.082 174.662 176.117 -0.621 0.000 1.014 131 I CA -0.494 60.321 61.300 -0.807 0.000 1.340 131 I CB 1.139 38.318 38.000 -1.368 0.000 1.422 131 I HN -0.169 nan 8.210 nan 0.000 0.528 132 D N 6.265 126.314 120.400 -0.584 0.000 2.473 132 D HA 0.194 4.834 4.640 -0.000 0.000 0.226 132 D C 0.263 176.420 176.300 -0.239 0.000 1.089 132 D CA -0.384 53.427 54.000 -0.315 0.000 0.883 132 D CB 0.436 41.109 40.800 -0.211 0.000 1.029 132 D HN 0.685 nan 8.370 nan 0.000 0.517 133 W N 1.983 123.253 121.300 -0.050 0.000 2.525 133 W HA -0.138 4.522 4.660 -0.000 0.000 0.259 133 W C 2.533 179.067 176.519 0.025 0.000 1.253 133 W CA 0.417 57.773 57.345 0.018 0.000 1.262 133 W CB 0.022 29.505 29.460 0.038 0.000 1.122 133 W HN 0.387 nan 8.180 nan 0.000 0.607 134 S N 0.786 116.597 115.700 0.184 0.000 2.400 134 S HA -0.238 4.231 4.470 -0.000 0.000 0.232 134 S C 2.155 176.817 174.600 0.103 0.000 1.025 134 S CA 1.298 59.571 58.200 0.123 0.000 0.993 134 S CB -0.196 63.044 63.200 0.067 0.000 0.808 134 S HN 0.207 nan 8.310 nan 0.000 0.478 135 R N 0.476 121.020 120.500 0.074 0.000 2.127 135 R HA 0.175 4.515 4.340 -0.000 0.000 0.217 135 R C 1.998 178.366 176.300 0.113 0.000 1.074 135 R CA 1.062 57.202 56.100 0.066 0.000 0.991 135 R CB -0.598 29.712 30.300 0.017 0.000 0.895 135 R HN 0.582 nan 8.270 nan 0.000 0.450 136 I N 0.694 121.369 120.570 0.175 0.000 2.206 136 I HA -0.137 4.033 4.170 -0.000 0.000 0.239 136 I C 0.508 176.770 176.117 0.241 0.000 1.078 136 I CA 0.545 61.996 61.300 0.252 0.000 1.367 136 I CB -0.215 38.037 38.000 0.420 0.000 1.078 136 I HN -0.072 nan 8.210 nan 0.000 0.413 137 L N 0.499 121.885 121.223 0.272 0.000 2.387 137 L HA 0.199 4.539 4.340 -0.000 0.000 0.266 137 L C 0.538 177.489 176.870 0.134 0.000 1.059 137 L CA 0.354 55.304 54.840 0.182 0.000 0.801 137 L CB 0.378 42.535 42.059 0.163 0.000 1.223 137 L HN 0.036 nan 8.230 nan 0.000 0.456 138 D N -0.929 119.529 120.400 0.098 0.000 2.350 138 D HA 0.113 4.753 4.640 -0.000 0.000 0.213 138 D C 0.042 176.384 176.300 0.071 0.000 1.031 138 D CA 0.553 54.600 54.000 0.078 0.000 0.861 138 D CB 0.575 41.413 40.800 0.063 0.000 0.926 138 D HN 0.294 nan 8.370 nan 0.000 0.520 139 S N -0.453 115.292 115.700 0.075 0.000 2.582 139 S HA 0.245 4.714 4.470 -0.000 0.000 0.287 139 S C -0.105 174.534 174.600 0.066 0.000 1.146 139 S CA -0.684 57.556 58.200 0.066 0.000 0.941 139 S CB 1.024 64.255 63.200 0.052 0.000 1.115 139 S HN -0.095 nan 8.310 nan 0.000 0.458 140 V N 2.347 122.300 119.914 0.066 0.000 3.427 140 V HA 0.452 4.572 4.120 -0.000 0.000 0.305 140 V C 1.542 177.664 176.094 0.047 0.000 1.412 140 V CA 0.765 63.095 62.300 0.051 0.000 1.086 140 V CB 0.008 31.872 31.823 0.068 0.000 0.964 140 V HN 0.878 nan 8.190 nan 0.000 0.439 141 E N 2.662 122.894 120.200 0.053 0.000 2.085 141 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 141 E C 1.623 178.267 176.600 0.072 0.000 0.994 141 E CA 2.000 58.433 56.400 0.056 0.000 0.801 141 E CB -0.009 29.720 29.700 0.049 0.000 0.743 141 E HN 0.904 nan 8.360 nan 0.000 0.453 142 D N -0.065 120.383 120.400 0.079 0.000 2.363 142 D HA -0.071 4.569 4.640 -0.000 0.000 0.226 142 D C 0.224 176.639 176.300 0.192 0.000 1.020 142 D CA 0.000 54.072 54.000 0.120 0.000 0.892 142 D CB -0.423 40.432 40.800 0.091 0.000 0.900 142 D HN -0.048 nan 8.370 nan 0.000 0.531 143 N N 0.148 118.910 118.700 0.102 0.000 2.354 143 N HA 0.258 4.998 4.740 -0.000 0.000 0.246 143 N C -1.025 174.534 175.510 0.081 0.000 1.285 143 N CA 0.084 53.150 53.050 0.027 0.000 0.925 143 N CB 0.384 38.817 38.487 -0.089 0.000 1.174 143 N HN 0.240 nan 8.380 nan 0.000 0.478 144 H N -0.197 118.760 119.070 -0.188 0.000 3.240 144 H HA 0.452 5.008 4.556 -0.000 0.000 0.329 144 H C -1.367 173.846 175.328 -0.192 0.000 1.024 144 H CA -0.271 55.676 56.048 -0.168 0.000 1.487 144 H CB 0.082 29.723 29.762 -0.201 0.000 1.909 144 H HN 0.377 nan 8.280 nan 0.000 0.465 145 I N 6.865 127.241 120.570 -0.324 0.000 2.517 145 I HA 0.367 4.537 4.170 -0.000 0.000 0.280 145 I C -0.888 175.071 176.117 -0.262 0.000 1.061 145 I CA -0.764 60.400 61.300 -0.227 0.000 1.091 145 I CB 1.271 39.207 38.000 -0.107 0.000 1.205 145 I HN 0.232 nan 8.210 nan 0.000 0.459 146 V N 4.477 124.231 119.914 -0.268 0.000 3.040 146 V HA 0.532 4.652 4.120 -0.000 0.000 0.312 146 V C 0.168 176.167 176.094 -0.158 0.000 1.115 146 V CA -1.477 60.692 62.300 -0.218 0.000 0.998 146 V CB 1.872 33.553 31.823 -0.237 0.000 1.042 146 V HN 0.659 nan 8.190 nan 0.000 0.433 147 L N 0.442 121.591 121.223 -0.123 0.000 3.844 147 L HA -0.184 4.155 4.340 -0.000 0.000 0.580 147 L C -0.138 176.658 176.870 -0.124 0.000 1.156 147 L CA 0.479 55.251 54.840 -0.113 0.000 0.848 147 L CB -2.116 39.872 42.059 -0.120 0.000 1.283 147 L HN 0.881 nan 8.230 nan 0.000 0.803 148 N N 0.645 119.287 118.700 -0.098 0.000 3.038 148 N HA 0.314 5.054 4.740 -0.000 0.000 0.307 148 N C 0.678 176.146 175.510 -0.070 0.000 1.441 148 N CA -0.850 52.148 53.050 -0.086 0.000 0.772 148 N CB 1.140 39.587 38.487 -0.067 0.000 1.651 148 N HN 0.208 nan 8.380 nan 0.000 0.593 149 K N 0.510 120.872 120.400 -0.064 0.000 2.026 149 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 149 K C 0.904 177.467 176.600 -0.062 0.000 1.048 149 K CA 1.867 58.115 56.287 -0.066 0.000 0.929 149 K CB -0.212 32.245 32.500 -0.072 0.000 0.713 149 K HN 0.470 nan 8.250 nan 0.000 0.439 150 D N 0.862 121.228 120.400 -0.056 0.000 2.144 150 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 150 D C 0.988 177.263 176.300 -0.042 0.000 0.978 150 D CA 1.328 55.298 54.000 -0.049 0.000 0.833 150 D CB -0.091 40.689 40.800 -0.033 0.000 0.961 150 D HN 0.163 nan 8.370 nan 0.000 0.470 151 D N -0.504 119.869 120.400 -0.045 0.000 2.389 151 D HA -0.088 4.552 4.640 -0.000 0.000 0.221 151 D C 0.033 176.307 176.300 -0.043 0.000 0.974 151 D CA 0.673 54.645 54.000 -0.046 0.000 0.923 151 D CB -0.324 40.440 40.800 -0.060 0.000 0.892 151 D HN 0.126 nan 8.370 nan 0.000 0.518 152 N N 0.703 119.376 118.700 -0.044 0.000 2.776 152 N HA 0.094 4.833 4.740 -0.000 0.000 0.245 152 N C -0.009 175.479 175.510 -0.038 0.000 1.121 152 N CA -0.224 52.802 53.050 -0.040 0.000 0.852 152 N CB 0.679 39.140 38.487 -0.044 0.000 1.142 152 N HN -0.039 nan 8.380 nan 0.000 0.514 153 E N 0.206 120.387 120.200 -0.032 0.000 3.360 153 E HA -0.280 4.070 4.350 -0.000 0.000 0.397 153 E C -0.725 175.855 176.600 -0.033 0.000 1.549 153 E CA 1.564 57.947 56.400 -0.029 0.000 1.539 153 E CB -0.530 29.155 29.700 -0.026 0.000 1.621 153 E HN 0.545 nan 8.360 nan 0.000 0.465 154 E N 0.564 120.743 120.200 -0.034 0.000 2.415 154 E HA 0.042 4.392 4.350 -0.000 0.000 0.263 154 E C 0.352 176.919 176.600 -0.054 0.000 0.995 154 E CA 0.246 56.622 56.400 -0.039 0.000 0.915 154 E CB 1.303 30.982 29.700 -0.035 0.000 0.951 154 E HN 0.496 nan 8.360 nan 0.000 0.449 155 c N 1.303 119.863 118.600 -0.065 0.000 3.002 155 c HA 0.461 5.031 4.570 -0.000 0.000 0.274 155 c C 0.937 174.957 174.090 -0.117 0.000 2.224 155 c CA 0.982 57.250 56.329 -0.101 0.000 1.788 155 c CB 0.029 42.468 42.510 -0.119 0.000 1.444 155 c HN 0.948 nan 8.230 nan 0.000 0.740 156 G N 2.309 111.047 108.800 -0.104 0.000 2.610 156 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.136 156 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.136 156 G C -1.047 173.799 174.900 -0.089 0.000 1.070 156 G CA 0.014 45.067 45.100 -0.078 0.000 0.812 156 G HN 0.460 nan 8.290 nan 0.000 0.495 157 D N 1.395 121.785 120.400 -0.017 0.000 2.619 157 D HA 0.293 4.933 4.640 -0.000 0.000 0.224 157 D C 1.300 177.783 176.300 0.304 0.000 1.133 157 D CA -0.136 54.002 54.000 0.231 0.000 1.017 157 D CB 0.070 40.990 40.800 0.201 0.000 1.077 157 D HN 0.636 nan 8.370 nan 0.000 0.503 158 I N -1.114 119.643 120.570 0.312 0.000 2.227 158 I HA 0.156 4.325 4.170 -0.000 0.000 0.297 158 I C 1.476 177.671 176.117 0.130 0.000 1.173 158 I CA -0.808 60.599 61.300 0.177 0.000 1.356 158 I CB -0.024 38.059 38.000 0.138 0.000 1.485 158 I HN 0.056 nan 8.210 nan 0.000 0.604 159 c N 5.383 124.010 118.600 0.044 0.000 5.436 159 c HA -0.167 4.403 4.570 -0.000 0.000 0.285 159 c C 0.004 174.040 174.090 -0.091 0.000 1.153 159 c CA 1.870 58.144 56.329 -0.090 0.000 1.885 159 c CB -1.413 41.035 42.510 -0.103 0.000 1.740 159 c HN 0.851 nan 8.230 nan 0.000 0.341 160 P HA -0.152 nan 4.420 nan 0.000 0.277 160 P C 0.060 177.295 177.300 -0.108 0.000 0.816 160 P CA 2.923 65.983 63.100 -0.067 0.000 1.003 160 P CB -0.978 30.708 31.700 -0.024 0.000 0.904 161 G N -5.257 103.494 108.800 -0.081 0.000 2.344 161 G HA2 0.334 4.294 3.960 -0.000 0.000 0.282 161 G HA3 0.334 4.294 3.960 -0.000 0.000 0.282 161 G C -0.080 174.804 174.900 -0.026 0.000 1.281 161 G CA 0.440 45.452 45.100 -0.147 0.000 0.877 161 G HN 0.505 nan 8.290 nan 0.000 0.494 162 T N -0.728 113.795 114.554 -0.052 0.000 3.272 162 T HA 0.473 4.822 4.350 -0.000 0.000 0.250 162 T C 1.595 176.293 174.700 -0.004 0.000 1.082 162 T CA 1.591 63.722 62.100 0.051 0.000 0.968 162 T CB -0.440 68.488 68.868 0.100 0.000 1.015 162 T HN 1.524 nan 8.240 nan 0.000 0.563 163 A N 0.745 123.547 122.820 -0.030 0.000 2.348 163 A HA 0.541 4.861 4.320 -0.000 0.000 0.224 163 A C 0.849 178.424 177.584 -0.015 0.000 1.227 163 A CA -0.254 51.766 52.037 -0.029 0.000 0.885 163 A CB -0.093 18.880 19.000 -0.045 0.000 0.933 163 A HN 0.413 nan 8.150 nan 0.000 0.506 164 K N -2.868 117.529 120.400 -0.004 0.000 1.399 164 K HA -0.101 4.219 4.320 -0.000 0.000 0.733 164 K C 0.914 177.513 176.600 -0.003 0.000 1.997 164 K CA 1.718 58.006 56.287 0.001 0.000 1.105 164 K CB -1.763 30.737 32.500 0.000 0.000 2.031 164 K HN 1.901 nan 8.250 nan 0.000 0.456 165 G N 0.323 109.122 108.800 -0.000 0.000 2.512 165 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.254 165 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.254 165 G C 0.383 175.285 174.900 0.004 0.000 1.199 165 G CA 2.165 47.264 45.100 -0.000 0.000 0.941 165 G HN 1.108 nan 8.290 nan 0.000 0.569 166 K N -1.844 118.558 120.400 0.004 0.000 2.567 166 K HA 0.501 4.821 4.320 -0.000 0.000 0.218 166 K C 0.708 177.315 176.600 0.011 0.000 1.440 166 K CA 0.963 57.256 56.287 0.010 0.000 0.995 166 K CB 1.046 33.554 32.500 0.012 0.000 1.186 166 K HN 0.867 nan 8.250 nan 0.000 0.593 167 T N -1.187 113.371 114.554 0.006 0.000 2.778 167 T HA 0.419 4.768 4.350 -0.000 0.000 0.293 167 T C -1.070 173.624 174.700 -0.009 0.000 1.144 167 T CA -0.277 61.827 62.100 0.006 0.000 1.010 167 T CB 1.878 70.759 68.868 0.023 0.000 1.325 167 T HN 0.224 nan 8.240 nan 0.000 0.515 168 N N -1.418 117.275 118.700 -0.012 0.000 2.478 168 N HA -0.024 4.715 4.740 -0.000 0.000 0.291 168 N C -0.508 174.984 175.510 -0.030 0.000 1.278 168 N CA 0.502 53.537 53.050 -0.024 0.000 2.393 168 N CB -0.635 37.828 38.487 -0.040 0.000 1.989 168 N HN 0.679 nan 8.380 nan 0.000 1.177 169 c N 3.575 122.147 118.600 -0.048 0.000 2.652 169 c HA 0.561 5.130 4.570 -0.000 0.000 0.412 169 c C -1.830 172.232 174.090 -0.046 0.000 1.294 169 c CA -0.711 55.580 56.329 -0.063 0.000 2.127 169 c CB 0.421 42.867 42.510 -0.107 0.000 2.691 169 c HN 0.339 nan 8.230 nan 0.000 0.615 170 P HA 0.449 nan 4.420 nan 0.000 0.272 170 P C -0.685 176.568 177.300 -0.077 0.000 1.240 170 P CA 0.207 63.290 63.100 -0.029 0.000 0.791 170 P CB 0.486 32.166 31.700 -0.033 0.000 0.978 171 A N 0.045 122.834 122.820 -0.052 0.000 2.539 171 A HA 0.736 5.056 4.320 -0.000 0.000 0.296 171 A C -0.519 176.955 177.584 -0.184 0.000 1.073 171 A CA -0.318 51.570 52.037 -0.249 0.000 0.700 171 A CB 1.627 20.299 19.000 -0.548 0.000 1.296 171 A HN 0.523 nan 8.150 nan 0.000 0.405 172 T N -1.142 113.218 114.554 -0.324 0.000 2.831 172 T HA 0.638 4.988 4.350 -0.000 0.000 0.287 172 T C -1.549 173.049 174.700 -0.169 0.000 1.070 172 T CA -0.359 61.656 62.100 -0.142 0.000 1.010 172 T CB 1.429 70.235 68.868 -0.103 0.000 1.264 172 T HN 1.076 nan 8.240 nan 0.000 0.532 173 V N 3.118 123.020 119.914 -0.020 0.000 2.383 173 V HA 0.428 4.548 4.120 -0.000 0.000 0.264 173 V C -0.670 175.429 176.094 0.007 0.000 1.001 173 V CA -0.822 61.489 62.300 0.018 0.000 0.828 173 V CB 0.583 32.482 31.823 0.127 0.000 1.069 173 V HN 0.697 nan 8.190 nan 0.000 0.451 174 I N 3.593 124.150 120.570 -0.022 0.000 2.365 174 I HA 0.458 4.628 4.170 -0.000 0.000 0.291 174 I C 0.868 176.988 176.117 0.005 0.000 1.004 174 I CA 0.131 61.429 61.300 -0.003 0.000 1.311 174 I CB 1.103 39.099 38.000 -0.007 0.000 1.401 174 I HN 0.648 nan 8.210 nan 0.000 0.491 175 N N 4.743 123.452 118.700 0.016 0.000 2.869 175 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 175 N C 0.995 176.518 175.510 0.021 0.000 1.104 175 N CA 1.184 54.245 53.050 0.018 0.000 0.760 175 N CB -1.272 37.223 38.487 0.013 0.000 1.108 175 N HN 1.057 nan 8.380 nan 0.000 0.555 176 G N -1.256 107.560 108.800 0.028 0.000 2.304 176 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.252 176 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.252 176 G C -0.093 174.837 174.900 0.051 0.000 1.014 176 G CA 0.818 45.939 45.100 0.036 0.000 0.619 176 G HN 0.623 nan 8.290 nan 0.000 0.525 177 Q N -0.089 119.738 119.800 0.044 0.000 2.243 177 Q HA 0.643 4.983 4.340 -0.000 0.000 0.252 177 Q C -0.436 175.612 176.000 0.080 0.000 0.909 177 Q CA -0.861 54.980 55.803 0.063 0.000 0.922 177 Q CB 1.692 30.450 28.738 0.033 0.000 1.215 177 Q HN 0.412 nan 8.270 nan 0.000 0.427 178 F N 2.910 122.853 119.950 -0.012 0.000 2.411 178 F HA 0.566 5.093 4.527 -0.000 0.000 0.350 178 F C -0.923 174.865 175.800 -0.021 0.000 1.114 178 F CA -0.637 57.353 58.000 -0.017 0.000 1.135 178 F CB 0.949 39.940 39.000 -0.016 0.000 1.120 178 F HN 0.401 nan 8.300 nan 0.000 0.495 179 V N 5.785 125.141 119.914 -0.930 0.000 3.147 179 V HA 0.384 4.504 4.120 -0.000 0.000 0.306 179 V C -0.720 174.904 176.094 -0.783 0.000 1.209 179 V CA -0.719 61.174 62.300 -0.679 0.000 1.023 179 V CB 2.189 33.833 31.823 -0.299 0.000 1.059 179 V HN 0.849 nan 8.190 nan 0.000 0.435 180 E N 2.115 122.041 120.200 -0.456 0.000 2.392 180 E HA 0.418 4.767 4.350 -0.000 0.000 0.256 180 E C -1.100 175.323 176.600 -0.295 0.000 1.145 180 E CA -0.519 55.688 56.400 -0.323 0.000 0.929 180 E CB 0.793 30.391 29.700 -0.170 0.000 0.998 180 E HN 0.350 nan 8.360 nan 0.000 0.442 181 R N 0.220 120.555 120.500 -0.276 0.000 2.502 181 R HA 0.376 4.716 4.340 -0.000 0.000 0.300 181 R C -1.119 174.964 176.300 -0.362 0.000 0.984 181 R CA -0.332 55.572 56.100 -0.328 0.000 0.882 181 R CB 0.752 30.858 30.300 -0.324 0.000 1.180 181 R HN 0.709 nan 8.270 nan 0.000 0.444 182 c N -1.249 117.078 118.600 -0.455 0.000 3.332 182 c HA 0.588 5.158 4.570 -0.000 0.000 0.329 182 c C 0.428 174.163 174.090 -0.592 0.000 1.434 182 c CA -1.079 54.964 56.329 -0.477 0.000 1.314 182 c CB 0.911 43.197 42.510 -0.374 0.000 1.664 182 c HN 0.923 nan 8.230 nan 0.000 0.457 183 W N 1.064 122.229 121.300 -0.225 0.000 2.699 183 W HA 0.298 4.958 4.660 -0.000 0.000 0.267 183 W C 1.544 177.944 176.519 -0.198 0.000 1.182 183 W CA 1.151 58.412 57.345 -0.140 0.000 1.453 183 W CB 0.058 29.510 29.460 -0.014 0.000 1.054 183 W HN 1.037 nan 8.180 nan 0.000 0.595 184 T N -3.921 110.552 114.554 -0.136 0.000 2.626 184 T HA 0.167 4.517 4.350 -0.000 0.000 0.279 184 T C 0.662 175.005 174.700 -0.595 0.000 0.983 184 T CA 0.178 62.118 62.100 -0.267 0.000 1.059 184 T CB 1.151 70.111 68.868 0.154 0.000 1.396 184 T HN 0.231 nan 8.240 nan 0.000 0.519 185 H N 0.161 119.137 119.070 -0.158 0.000 2.421 185 H HA 0.066 4.622 4.556 -0.000 0.000 0.298 185 H C 1.789 177.036 175.328 -0.135 0.000 1.087 185 H CA 2.327 58.330 56.048 -0.074 0.000 1.330 185 H CB -0.341 29.481 29.762 0.099 0.000 1.388 185 H HN 0.514 nan 8.280 nan 0.000 0.526 186 S N -0.102 114.942 115.700 -1.093 0.000 2.431 186 S HA 0.008 4.477 4.470 -0.000 0.000 0.210 186 S C 0.706 174.963 174.600 -0.573 0.000 1.013 186 S CA -0.295 57.348 58.200 -0.929 0.000 0.920 186 S CB -0.472 62.055 63.200 -1.122 0.000 0.882 186 S HN 0.457 nan 8.310 nan 0.000 0.567 187 H N 1.206 120.024 119.070 -0.421 0.000 2.964 187 H HA 0.224 4.780 4.556 -0.000 0.000 0.328 187 H C -0.134 175.069 175.328 -0.207 0.000 1.030 187 H CA -0.146 55.695 56.048 -0.345 0.000 1.445 187 H CB -0.035 29.405 29.762 -0.536 0.000 1.449 187 H HN 0.337 nan 8.280 nan 0.000 0.581 188 c N 2.885 121.454 118.600 -0.051 0.000 2.364 188 c HA 0.135 4.705 4.570 -0.000 0.000 0.356 188 c C 0.974 175.062 174.090 -0.002 0.000 1.201 188 c CA -0.728 55.555 56.329 -0.077 0.000 2.227 188 c CB 0.966 43.425 42.510 -0.085 0.000 2.387 188 c HN 0.748 nan 8.230 nan 0.000 0.546 189 Q N 1.876 121.596 119.800 -0.133 0.000 2.286 189 Q HA 0.098 4.438 4.340 -0.000 0.000 0.267 189 Q C -0.114 175.878 176.000 -0.013 0.000 1.028 189 Q CA 0.232 55.953 55.803 -0.136 0.000 0.901 189 Q CB 0.371 28.848 28.738 -0.435 0.000 1.183 189 Q HN 0.566 nan 8.270 nan 0.000 0.392 190 K N 3.499 123.964 120.400 0.107 0.000 2.361 190 K HA 0.071 4.391 4.320 -0.000 0.000 0.283 190 K C -0.956 175.670 176.600 0.042 0.000 1.078 190 K CA -0.147 56.190 56.287 0.082 0.000 1.041 190 K CB 0.165 32.739 32.500 0.123 0.000 0.932 190 K HN 0.414 nan 8.250 nan 0.000 0.462 191 V N 3.108 123.030 119.914 0.014 0.000 2.732 191 V HA 0.422 4.542 4.120 -0.000 0.000 0.310 191 V C 0.126 176.230 176.094 0.017 0.000 1.053 191 V CA -1.105 61.197 62.300 0.004 0.000 0.957 191 V CB 1.698 33.510 31.823 -0.019 0.000 1.018 191 V HN 0.777 nan 8.190 nan 0.000 0.452 192 c N 2.859 121.471 118.600 0.019 0.000 2.707 192 c HA 0.680 5.250 4.570 -0.000 0.000 0.313 192 c C -2.442 171.654 174.090 0.011 0.000 1.209 192 c CA -0.909 55.432 56.329 0.020 0.000 1.635 192 c CB 1.984 44.514 42.510 0.033 0.000 2.206 192 c HN 0.812 nan 8.230 nan 0.000 0.485 193 P HA 0.114 nan 4.420 nan 0.000 0.267 193 P C 0.796 178.090 177.300 -0.010 0.000 1.205 193 P CA 0.388 63.485 63.100 -0.004 0.000 0.765 193 P CB 0.430 32.124 31.700 -0.009 0.000 0.828 194 T N 0.451 115.001 114.554 -0.007 0.000 2.848 194 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 194 T C 1.588 176.271 174.700 -0.028 0.000 1.081 194 T CA 1.544 63.639 62.100 -0.008 0.000 1.125 194 T CB -1.057 67.809 68.868 -0.002 0.000 0.848 194 T HN 0.539 nan 8.240 nan 0.000 0.503 195 I N -1.268 119.278 120.570 -0.040 0.000 2.761 195 I HA 0.127 4.297 4.170 -0.000 0.000 0.261 195 I C 2.524 178.567 176.117 -0.123 0.000 1.198 195 I CA 0.206 61.465 61.300 -0.068 0.000 1.482 195 I CB -0.918 37.048 38.000 -0.055 0.000 1.100 195 I HN 0.213 nan 8.210 nan 0.000 0.445 196 c N 0.798 119.338 118.600 -0.101 0.000 2.495 196 c HA 0.086 4.656 4.570 -0.000 0.000 0.275 196 c C 1.748 175.735 174.090 -0.172 0.000 1.392 196 c CA 0.315 56.562 56.329 -0.138 0.000 1.766 196 c CB -1.088 41.398 42.510 -0.039 0.000 1.933 196 c HN 0.581 nan 8.230 nan 0.000 0.519 197 K N -0.354 120.004 120.400 -0.071 0.000 1.939 197 K HA -0.266 4.054 4.320 -0.000 0.000 0.165 197 K C 0.854 177.547 176.600 0.154 0.000 1.508 197 K CA 1.601 57.903 56.287 0.025 0.000 0.525 197 K CB -1.376 31.129 32.500 0.008 0.000 0.615 197 K HN 0.437 nan 8.250 nan 0.000 0.888 198 S N 0.613 116.491 115.700 0.296 0.000 2.701 198 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 198 S C 0.896 175.639 174.600 0.239 0.000 0.954 198 S CA 0.697 59.031 58.200 0.223 0.000 0.936 198 S CB -0.314 62.961 63.200 0.125 0.000 0.777 198 S HN 0.392 nan 8.310 nan 0.000 0.518 199 H N 1.845 120.929 119.070 0.024 0.000 2.465 199 H HA 0.449 5.005 4.556 -0.000 0.000 0.289 199 H C 1.549 176.896 175.328 0.032 0.000 1.022 199 H CA 0.159 56.224 56.048 0.028 0.000 1.340 199 H CB -0.567 29.207 29.762 0.020 0.000 1.437 199 H HN 0.580 nan 8.280 nan 0.000 0.539 200 G N -1.062 107.834 108.800 0.161 0.000 2.619 200 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 200 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 200 G C -0.518 174.430 174.900 0.080 0.000 1.256 200 G CA -0.600 44.560 45.100 0.100 0.000 0.826 200 G HN 0.475 nan 8.290 nan 0.000 0.619 201 c N -0.081 118.556 118.600 0.061 0.000 2.423 201 c HA 1.006 5.576 4.570 -0.000 0.000 0.378 201 c C 1.389 175.507 174.090 0.047 0.000 1.244 201 c CA 0.398 56.755 56.329 0.047 0.000 1.978 201 c CB 1.252 43.785 42.510 0.038 0.000 2.252 201 c HN 1.408 nan 8.230 nan 0.000 0.526 202 T N -1.370 113.206 114.554 0.038 0.000 2.735 202 T HA 0.610 4.959 4.350 -0.000 0.000 0.262 202 T C 0.272 174.990 174.700 0.030 0.000 0.955 202 T CA 0.002 62.123 62.100 0.036 0.000 1.022 202 T CB 0.631 69.519 68.868 0.033 0.000 1.455 202 T HN 0.931 nan 8.240 nan 0.000 0.583 203 A N 1.094 123.930 122.820 0.027 0.000 3.004 203 A HA 0.384 4.704 4.320 -0.000 0.000 0.254 203 A C 0.071 177.665 177.584 0.017 0.000 1.857 203 A CA -0.108 51.943 52.037 0.022 0.000 1.460 203 A CB -2.005 17.007 19.000 0.020 0.000 0.963 203 A HN 0.805 nan 8.150 nan 0.000 0.624 204 E N -1.543 118.668 120.200 0.018 0.000 7.104 204 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 204 E C 0.633 177.240 176.600 0.012 0.000 1.022 204 E CA 0.338 56.746 56.400 0.013 0.000 1.596 204 E CB -1.554 28.151 29.700 0.009 0.000 0.920 204 E HN 1.848 nan 8.360 nan 0.000 0.283 205 G N 1.615 110.422 108.800 0.012 0.000 3.355 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.247 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.247 205 G C -0.019 174.886 174.900 0.009 0.000 1.818 205 G CA -0.433 44.672 45.100 0.008 0.000 1.309 205 G HN 0.488 nan 8.290 nan 0.000 0.546 206 L N 1.221 122.450 121.223 0.011 0.000 2.788 206 L HA 0.086 4.426 4.340 -0.000 0.000 0.337 206 L C 1.225 178.104 176.870 0.016 0.000 1.269 206 L CA 0.201 55.049 54.840 0.013 0.000 0.842 206 L CB -1.220 40.851 42.059 0.020 0.000 1.070 206 L HN 0.700 nan 8.230 nan 0.000 0.559 207 c N 1.738 120.344 118.600 0.011 0.000 2.329 207 c HA 0.434 5.004 4.570 -0.000 0.000 0.329 207 c C 1.002 175.124 174.090 0.054 0.000 1.275 207 c CA -0.986 55.352 56.329 0.015 0.000 1.726 207 c CB 1.025 43.513 42.510 -0.037 0.000 2.291 207 c HN 0.932 nan 8.230 nan 0.000 0.514 208 c N 3.060 121.718 118.600 0.096 0.000 2.820 208 c HA 0.032 4.602 4.570 -0.000 0.000 0.359 208 c C 1.428 175.624 174.090 0.176 0.000 1.357 208 c CA 0.047 56.457 56.329 0.135 0.000 2.197 208 c CB -0.483 42.115 42.510 0.147 0.000 2.569 208 c HN 0.853 nan 8.230 nan 0.000 0.753 209 H N 0.490 119.615 119.070 0.091 0.000 2.935 209 H HA -0.061 4.495 4.556 -0.000 0.000 0.376 209 H C 1.437 176.873 175.328 0.181 0.000 1.307 209 H CA 1.369 57.473 56.048 0.093 0.000 1.442 209 H CB 0.621 30.411 29.762 0.047 0.000 1.427 209 H HN 0.731 nan 8.280 nan 0.000 0.615 210 S N 0.679 116.122 115.700 -0.429 0.000 2.356 210 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 210 S C 0.514 175.096 174.600 -0.029 0.000 1.032 210 S CA 1.066 59.242 58.200 -0.039 0.000 1.005 210 S CB 0.001 63.087 63.200 -0.190 0.000 0.867 210 S HN 0.676 nan 8.310 nan 0.000 0.449 211 E N 0.967 121.249 120.200 0.137 0.000 2.232 211 E HA 0.272 4.622 4.350 -0.000 0.000 0.296 211 E C -0.828 175.792 176.600 0.032 0.000 1.372 211 E CA -0.226 56.212 56.400 0.064 0.000 1.527 211 E CB -0.236 29.545 29.700 0.135 0.000 1.424 211 E HN 0.306 nan 8.360 nan 0.000 0.485 212 c N 0.720 119.258 118.600 -0.103 0.000 3.241 212 c HA 0.689 5.258 4.570 -0.000 0.000 0.312 212 c C -0.761 173.262 174.090 -0.112 0.000 1.350 212 c CA -0.968 55.332 56.329 -0.048 0.000 1.415 212 c CB 1.545 44.090 42.510 0.059 0.000 1.770 212 c HN 0.599 nan 8.230 nan 0.000 0.466 213 L N 0.304 121.503 121.223 -0.039 0.000 2.465 213 L HA 0.953 5.293 4.340 -0.000 0.000 0.257 213 L C 0.313 177.190 176.870 0.011 0.000 0.988 213 L CA 0.221 55.053 54.840 -0.014 0.000 0.827 213 L CB 1.444 43.483 42.059 -0.033 0.000 1.397 213 L HN 1.225 nan 8.230 nan 0.000 0.410 214 G N 2.127 110.947 108.800 0.033 0.000 3.594 214 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.285 214 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.285 214 G C -0.241 174.685 174.900 0.044 0.000 1.551 214 G CA 0.460 45.579 45.100 0.032 0.000 1.061 214 G HN 0.944 nan 8.290 nan 0.000 0.624 215 N N -0.661 118.059 118.700 0.033 0.000 3.091 215 N HA 0.669 5.409 4.740 -0.000 0.000 0.329 215 N C -0.772 174.765 175.510 0.044 0.000 1.430 215 N CA -0.070 53.005 53.050 0.041 0.000 0.755 215 N CB 2.576 41.084 38.487 0.034 0.000 1.626 215 N HN 1.508 nan 8.380 nan 0.000 0.614 216 c N -1.351 117.276 118.600 0.045 0.000 3.268 216 c HA 0.275 4.845 4.570 -0.000 0.000 0.374 216 c C 0.316 174.430 174.090 0.041 0.000 1.126 216 c CA -0.917 55.439 56.329 0.046 0.000 1.162 216 c CB 0.612 43.160 42.510 0.064 0.000 1.503 216 c HN 0.652 nan 8.230 nan 0.000 0.538 217 S N 1.648 117.369 115.700 0.034 0.000 2.803 217 S HA 0.297 4.767 4.470 -0.000 0.000 0.228 217 S C 0.159 174.778 174.600 0.031 0.000 0.953 217 S CA 0.586 58.804 58.200 0.030 0.000 0.983 217 S CB -0.924 62.291 63.200 0.025 0.000 0.784 217 S HN 1.157 nan 8.310 nan 0.000 0.498 218 Q N -2.387 117.436 119.800 0.039 0.000 3.020 218 Q HA 0.147 4.487 4.340 -0.000 0.000 0.288 218 Q C -3.782 172.253 176.000 0.058 0.000 0.909 218 Q CA -1.289 54.539 55.803 0.042 0.000 0.852 218 Q CB -0.503 28.256 28.738 0.035 0.000 1.807 218 Q HN 0.030 nan 8.270 nan 0.000 0.562 219 P HA 0.337 nan 4.420 nan 0.000 0.292 219 P C -1.299 176.068 177.300 0.111 0.000 1.304 219 P CA 0.099 63.252 63.100 0.088 0.000 0.848 219 P CB 0.452 32.190 31.700 0.063 0.000 1.260 220 D N -0.917 119.579 120.400 0.161 0.000 2.686 220 D HA -0.203 4.436 4.640 -0.000 0.000 0.235 220 D C -0.462 175.990 176.300 0.254 0.000 1.160 220 D CA 1.312 55.446 54.000 0.225 0.000 0.645 220 D CB -1.831 39.031 40.800 0.103 0.000 1.039 220 D HN 0.397 nan 8.370 nan 0.000 0.423 221 D N -1.364 119.174 120.400 0.230 0.000 2.296 221 D HA 0.124 4.763 4.640 -0.000 0.000 0.224 221 D C -1.980 174.215 176.300 -0.175 0.000 1.324 221 D CA -1.257 52.738 54.000 -0.008 0.000 0.940 221 D CB 1.421 42.225 40.800 0.008 0.000 1.492 221 D HN -0.154 nan 8.370 nan 0.000 0.531 222 P HA -0.119 nan 4.420 nan 0.000 0.216 222 P C 1.347 178.524 177.300 -0.206 0.000 1.153 222 P CA 1.027 63.824 63.100 -0.506 0.000 0.848 222 P CB 0.202 31.456 31.700 -0.742 0.000 0.787 223 T N 0.416 114.860 114.554 -0.184 0.000 2.778 223 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 223 T C 1.390 176.063 174.700 -0.044 0.000 1.050 223 T CA 1.399 63.439 62.100 -0.100 0.000 1.137 223 T CB -0.347 68.469 68.868 -0.086 0.000 0.860 223 T HN 0.094 nan 8.240 nan 0.000 0.468 224 K N 0.835 121.213 120.400 -0.037 0.000 2.493 224 K HA 0.266 4.586 4.320 -0.000 0.000 0.207 224 K C 0.164 176.770 176.600 0.009 0.000 1.033 224 K CA -0.220 56.064 56.287 -0.004 0.000 1.161 224 K CB -0.446 32.056 32.500 0.003 0.000 0.873 224 K HN 0.459 nan 8.250 nan 0.000 0.491 225 c N -0.697 117.905 118.600 0.003 0.000 2.493 225 c HA 0.706 5.276 4.570 -0.000 0.000 0.326 225 c C -0.029 174.080 174.090 0.032 0.000 1.200 225 c CA -0.686 55.656 56.329 0.022 0.000 1.739 225 c CB 1.033 43.559 42.510 0.027 0.000 2.300 225 c HN 0.051 nan 8.230 nan 0.000 0.500 226 V N 4.885 124.816 119.914 0.028 0.000 2.513 226 V HA 0.813 4.932 4.120 -0.000 0.000 0.299 226 V C 0.531 176.628 176.094 0.004 0.000 1.035 226 V CA 0.715 63.026 62.300 0.018 0.000 0.889 226 V CB 1.063 32.887 31.823 0.001 0.000 0.988 226 V HN 2.188 nan 8.190 nan 0.000 0.440 227 A N 3.764 126.579 122.820 -0.009 0.000 1.740 227 A HA -0.105 4.215 4.320 -0.000 0.000 0.325 227 A C -0.182 177.394 177.584 -0.013 0.000 1.042 227 A CA 0.017 52.033 52.037 -0.035 0.000 0.567 227 A CB -1.823 17.147 19.000 -0.050 0.000 1.864 227 A HN 1.165 nan 8.150 nan 0.000 0.275 228 c N 4.163 122.766 118.600 0.005 0.000 2.295 228 c HA 0.585 5.155 4.570 -0.000 0.000 0.331 228 c C 1.713 175.776 174.090 -0.045 0.000 1.280 228 c CA -0.854 55.479 56.329 0.006 0.000 1.746 228 c CB 1.213 43.764 42.510 0.068 0.000 2.328 228 c HN 0.870 nan 8.230 nan 0.000 0.521 229 R N 1.473 121.927 120.500 -0.078 0.000 2.357 229 R HA -0.007 4.333 4.340 -0.000 0.000 0.202 229 R C 0.402 176.624 176.300 -0.130 0.000 1.047 229 R CA 0.741 56.779 56.100 -0.104 0.000 1.034 229 R CB -0.162 30.065 30.300 -0.121 0.000 0.875 229 R HN 0.734 nan 8.270 nan 0.000 0.473 230 N N -1.033 117.593 118.700 -0.123 0.000 2.426 230 N HA 0.268 5.008 4.740 -0.000 0.000 0.171 230 N C -0.720 174.575 175.510 -0.359 0.000 1.643 230 N CA -0.167 52.749 53.050 -0.224 0.000 1.131 230 N CB 0.166 38.636 38.487 -0.029 0.000 1.641 230 N HN -0.203 nan 8.380 nan 0.000 0.302 231 F N -0.071 119.889 119.950 0.016 0.000 2.522 231 F HA 0.381 4.908 4.527 -0.000 0.000 0.324 231 F C -0.282 175.566 175.800 0.080 0.000 1.077 231 F CA -0.878 57.138 58.000 0.027 0.000 0.944 231 F CB 1.321 40.231 39.000 -0.151 0.000 1.175 231 F HN 0.210 nan 8.300 nan 0.000 0.468 232 Y N 3.569 123.992 120.300 0.206 0.000 2.308 232 Y HA 0.664 5.213 4.550 -0.000 0.000 0.329 232 Y C -1.558 174.341 175.900 -0.001 0.000 1.111 232 Y CA -0.894 57.279 58.100 0.121 0.000 1.179 232 Y CB 1.047 39.658 38.460 0.251 0.000 1.201 232 Y HN 0.530 nan 8.280 nan 0.000 0.483 233 L N 6.686 127.457 121.223 -0.753 0.000 2.505 233 L HA 0.360 4.699 4.340 -0.000 0.000 0.266 233 L C -0.247 176.183 176.870 -0.733 0.000 0.954 233 L CA -0.534 53.920 54.840 -0.643 0.000 0.852 233 L CB 1.476 43.295 42.059 -0.399 0.000 1.282 233 L HN 0.926 nan 8.230 nan 0.000 0.403 234 D N 3.780 123.859 120.400 -0.534 0.000 3.033 234 D HA -0.263 4.377 4.640 -0.000 0.000 0.214 234 D C 1.052 177.182 176.300 -0.283 0.000 1.173 234 D CA 1.923 55.745 54.000 -0.295 0.000 0.930 234 D CB -0.655 40.024 40.800 -0.202 0.000 1.092 234 D HN 1.210 nan 8.370 nan 0.000 0.384 235 G N -1.211 107.287 108.800 -0.502 0.000 3.211 235 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.202 235 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.202 235 G C 0.379 175.128 174.900 -0.250 0.000 1.035 235 G CA -0.005 44.950 45.100 -0.242 0.000 0.846 235 G HN 0.335 nan 8.290 nan 0.000 0.464 236 R N -0.470 119.851 120.500 -0.297 0.000 2.652 236 R HA 0.522 4.862 4.340 -0.000 0.000 0.271 236 R C -0.422 175.747 176.300 -0.219 0.000 1.129 236 R CA 0.407 56.368 56.100 -0.231 0.000 1.200 236 R CB 0.778 30.955 30.300 -0.205 0.000 1.146 236 R HN 0.237 nan 8.270 nan 0.000 0.581 237 c N 2.577 121.096 118.600 -0.136 0.000 2.717 237 c HA 0.226 4.796 4.570 -0.000 0.000 0.306 237 c C 0.121 174.208 174.090 -0.006 0.000 1.225 237 c CA -0.857 55.447 56.329 -0.041 0.000 1.658 237 c CB -0.727 41.783 42.510 0.000 0.000 1.714 237 c HN 0.461 nan 8.230 nan 0.000 0.463 238 V N 1.955 121.856 119.914 -0.022 0.000 3.098 238 V HA -0.107 4.013 4.120 -0.000 0.000 0.298 238 V C 1.666 177.811 176.094 0.084 0.000 1.200 238 V CA 0.794 63.100 62.300 0.010 0.000 1.321 238 V CB 0.558 32.366 31.823 -0.025 0.000 0.947 238 V HN 0.759 nan 8.190 nan 0.000 0.513 239 E N 0.434 120.681 120.200 0.078 0.000 2.299 239 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 239 E C 0.640 177.344 176.600 0.173 0.000 0.998 239 E CA 1.025 57.489 56.400 0.108 0.000 0.851 239 E CB 0.505 30.252 29.700 0.078 0.000 0.795 239 E HN 0.868 nan 8.360 nan 0.000 0.492 240 T N -0.780 113.848 114.554 0.124 0.000 3.559 240 T HA 0.082 4.431 4.350 -0.000 0.000 0.391 240 T C -1.103 173.549 174.700 -0.080 0.000 1.522 240 T CA -0.782 61.341 62.100 0.039 0.000 1.159 240 T CB -0.075 68.866 68.868 0.120 0.000 1.384 240 T HN 0.029 nan 8.240 nan 0.000 0.475 241 c N 7.438 125.847 118.600 -0.318 0.000 2.592 241 c HA 0.388 4.958 4.570 -0.000 0.000 0.408 241 c C -1.771 172.347 174.090 0.047 0.000 1.436 241 c CA -0.437 55.827 56.329 -0.109 0.000 1.595 241 c CB -0.749 41.731 42.510 -0.051 0.000 2.487 241 c HN 0.615 nan 8.230 nan 0.000 0.610 242 P HA 0.353 nan 4.420 nan 0.000 0.293 242 P C -2.682 174.632 177.300 0.024 0.000 1.291 242 P CA -2.152 60.946 63.100 -0.004 0.000 0.867 242 P CB 0.912 32.600 31.700 -0.021 0.000 1.074 243 P HA 0.071 nan 4.420 nan 0.000 0.265 243 P C -2.051 175.235 177.300 -0.023 0.000 1.193 243 P CA -0.916 62.104 63.100 -0.134 0.000 0.765 243 P CB -0.828 30.803 31.700 -0.116 0.000 0.823 244 P HA 0.302 nan 4.420 nan 0.000 0.208 244 P C -1.350 175.527 177.300 -0.705 0.000 1.863 244 P CA -0.348 62.543 63.100 -0.349 0.000 1.037 244 P CB -0.163 31.374 31.700 -0.272 0.000 1.881 245 Y N 0.566 120.548 120.300 -0.529 0.000 2.485 245 Y HA 0.466 5.015 4.550 -0.000 0.000 0.345 245 Y C -0.024 175.498 175.900 -0.629 0.000 0.998 245 Y CA -0.783 57.042 58.100 -0.459 0.000 1.059 245 Y CB 1.863 40.208 38.460 -0.192 0.000 1.234 245 Y HN 0.046 nan 8.280 nan 0.000 0.461 246 Y N 1.143 121.516 120.300 0.121 0.000 2.328 246 Y HA 0.299 4.849 4.550 -0.000 0.000 0.336 246 Y C -0.306 175.682 175.900 0.146 0.000 0.960 246 Y CA -1.292 56.842 58.100 0.057 0.000 1.134 246 Y CB 0.666 39.114 38.460 -0.020 0.000 1.166 246 Y HN 0.547 nan 8.280 nan 0.000 0.464 247 H N 3.832 122.894 119.070 -0.012 0.000 4.436 247 H HA -0.084 4.472 4.556 -0.000 0.000 0.198 247 H C -0.282 175.146 175.328 0.168 0.000 1.153 247 H CA -0.382 55.601 56.048 -0.108 0.000 1.483 247 H CB -1.194 28.434 29.762 -0.223 0.000 1.703 247 H HN 0.610 nan 8.280 nan 0.000 0.788 248 F N 2.787 122.788 119.950 0.086 0.000 2.471 248 F HA -0.006 4.521 4.527 -0.000 0.000 0.353 248 F C 0.953 176.761 175.800 0.015 0.000 1.113 248 F CA -0.556 57.458 58.000 0.025 0.000 1.262 248 F CB 0.438 39.434 39.000 -0.006 0.000 1.146 248 F HN 0.496 nan 8.300 nan 0.000 0.578 249 Q N 2.550 122.245 119.800 -0.175 0.000 2.015 249 Q HA -0.397 3.943 4.340 -0.000 0.000 0.393 249 Q C -0.205 175.879 176.000 0.140 0.000 0.701 249 Q CA 1.982 57.675 55.803 -0.183 0.000 0.921 249 Q CB -1.059 27.465 28.738 -0.356 0.000 2.909 249 Q HN 0.883 nan 8.270 nan 0.000 0.814 250 D N -0.962 119.613 120.400 0.291 0.000 2.914 250 D HA 0.169 4.808 4.640 -0.000 0.000 0.349 250 D C 0.339 176.791 176.300 0.253 0.000 1.540 250 D CA 0.506 54.691 54.000 0.308 0.000 0.778 250 D CB 0.388 41.288 40.800 0.167 0.000 1.213 250 D HN 0.542 nan 8.370 nan 0.000 0.451 251 W N -0.222 121.123 121.300 0.075 0.000 4.213 251 W HA 0.180 4.840 4.660 -0.000 0.000 0.153 251 W C 0.139 176.870 176.519 0.354 0.000 0.850 251 W CA -0.308 57.043 57.345 0.010 0.000 1.550 251 W CB -0.011 29.391 29.460 -0.096 0.000 0.517 251 W HN -0.140 nan 8.180 nan 0.000 0.995 252 R N 2.618 122.300 120.500 -1.364 0.000 2.537 252 R HA 0.369 4.709 4.340 -0.000 0.000 0.280 252 R C -0.560 175.620 176.300 -0.200 0.000 1.058 252 R CA 0.804 56.291 56.100 -1.022 0.000 1.057 252 R CB 0.594 29.965 30.300 -1.548 0.000 0.973 252 R HN 0.096 nan 8.270 nan 0.000 0.438 253 c N 4.438 123.015 118.600 -0.038 0.000 2.358 253 c HA 0.800 5.370 4.570 -0.000 0.000 0.354 253 c C -0.449 173.735 174.090 0.156 0.000 1.183 253 c CA -0.480 55.889 56.329 0.067 0.000 2.150 253 c CB 1.102 43.611 42.510 -0.002 0.000 2.361 253 c HN 0.713 nan 8.230 nan 0.000 0.535 254 V N 0.378 120.460 119.914 0.280 0.000 3.242 254 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 254 V C -1.205 175.056 176.094 0.280 0.000 1.352 254 V CA -0.883 61.572 62.300 0.258 0.000 1.052 254 V CB 1.797 33.781 31.823 0.268 0.000 1.101 254 V HN 0.882 nan 8.190 nan 0.000 0.446 255 N N 0.157 118.966 118.700 0.183 0.000 2.489 255 N HA 0.361 5.101 4.740 -0.000 0.000 0.284 255 N C 0.405 176.053 175.510 0.231 0.000 1.158 255 N CA -0.804 52.314 53.050 0.114 0.000 0.965 255 N CB 1.128 39.616 38.487 0.001 0.000 1.195 255 N HN 0.807 nan 8.380 nan 0.000 0.506 256 F N 1.299 121.311 119.950 0.103 0.000 2.063 256 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 256 F C 2.384 178.146 175.800 -0.062 0.000 1.109 256 F CA 2.139 60.100 58.000 -0.066 0.000 1.212 256 F CB -0.290 38.679 39.000 -0.050 0.000 0.973 256 F HN 0.559 nan 8.300 nan 0.000 0.480 257 S N -0.880 115.018 115.700 0.330 0.000 2.528 257 S HA -0.214 4.256 4.470 -0.000 0.000 0.244 257 S C 1.520 176.184 174.600 0.106 0.000 0.982 257 S CA 1.222 59.548 58.200 0.209 0.000 0.953 257 S CB -0.826 62.464 63.200 0.149 0.000 0.754 257 S HN 0.529 nan 8.310 nan 0.000 0.529 258 F N 0.074 119.967 119.950 -0.094 0.000 2.399 258 F HA 0.159 4.686 4.527 -0.000 0.000 0.282 258 F C 2.385 178.021 175.800 -0.274 0.000 1.027 258 F CA 0.638 58.543 58.000 -0.158 0.000 1.333 258 F CB -1.158 37.750 39.000 -0.153 0.000 1.132 258 F HN 0.286 nan 8.300 nan 0.000 0.590 259 c N 2.142 120.425 118.600 -0.528 0.000 2.401 259 c HA -0.236 4.333 4.570 -0.000 0.000 0.276 259 c C 2.971 176.692 174.090 -0.615 0.000 1.233 259 c CA 2.142 58.019 56.329 -0.754 0.000 1.753 259 c CB -1.530 40.578 42.510 -0.670 0.000 2.029 259 c HN 0.773 nan 8.230 nan 0.000 0.478 260 Q N 0.007 119.459 119.800 -0.581 0.000 2.020 260 Q HA -0.233 4.106 4.340 -0.000 0.000 0.202 260 Q C 1.862 177.788 176.000 -0.124 0.000 0.982 260 Q CA 2.288 57.874 55.803 -0.360 0.000 0.838 260 Q CB -0.744 27.871 28.738 -0.205 0.000 0.899 260 Q HN 0.567 nan 8.270 nan 0.000 0.423 261 D N 0.468 120.750 120.400 -0.197 0.000 2.157 261 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 261 D C 2.018 178.242 176.300 -0.126 0.000 1.004 261 D CA 1.432 55.316 54.000 -0.194 0.000 0.854 261 D CB -0.108 40.606 40.800 -0.143 0.000 0.936 261 D HN 0.235 nan 8.370 nan 0.000 0.446 262 L N 0.210 121.290 121.223 -0.238 0.000 1.956 262 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 262 L C 1.660 178.579 176.870 0.080 0.000 1.073 262 L CA 1.311 56.084 54.840 -0.112 0.000 0.762 262 L CB -1.953 39.963 42.059 -0.238 0.000 0.889 262 L HN 0.241 nan 8.230 nan 0.000 0.433 263 H N 1.251 120.322 119.070 0.000 0.000 4.623 263 H HA 0.036 4.592 4.556 -0.000 0.000 0.175 263 H C -0.512 174.860 175.328 0.074 0.000 1.307 263 H CA 0.395 56.453 56.048 0.017 0.000 1.403 263 H CB -1.084 28.651 29.762 -0.045 0.000 1.652 263 H HN 0.220 nan 8.280 nan 0.000 0.855 264 H N 2.327 121.292 119.070 -0.175 0.000 2.966 264 H HA 0.110 4.666 4.556 -0.000 0.000 0.347 264 H C 0.047 175.287 175.328 -0.148 0.000 1.048 264 H CA -1.002 54.948 56.048 -0.164 0.000 1.295 264 H CB 1.070 30.787 29.762 -0.076 0.000 1.744 264 H HN 0.426 nan 8.280 nan 0.000 0.513 265 K N 1.571 121.863 120.400 -0.179 0.000 3.356 265 K HA -0.208 4.112 4.320 -0.000 0.000 0.270 265 K C 0.796 177.326 176.600 -0.116 0.000 0.901 265 K CA 0.247 56.453 56.287 -0.135 0.000 0.688 265 K CB -1.359 31.104 32.500 -0.061 0.000 1.460 265 K HN 0.587 nan 8.250 nan 0.000 0.458 266 c N 0.246 118.753 118.600 -0.156 0.000 2.370 266 c HA -0.233 4.336 4.570 -0.000 0.000 0.311 266 c C 1.803 175.821 174.090 -0.120 0.000 1.407 266 c CA 0.990 57.242 56.329 -0.128 0.000 1.807 266 c CB -1.443 40.971 42.510 -0.160 0.000 1.782 266 c HN 0.824 nan 8.230 nan 0.000 0.565 267 K N 0.034 120.357 120.400 -0.129 0.000 5.335 267 K HA -0.321 3.999 4.320 -0.000 0.000 0.272 267 K C 0.218 176.732 176.600 -0.143 0.000 0.665 267 K CA 2.333 58.547 56.287 -0.122 0.000 0.885 267 K CB -1.446 31.009 32.500 -0.075 0.000 0.784 267 K HN 0.844 nan 8.250 nan 0.000 0.859 268 N N 2.158 120.794 118.700 -0.105 0.000 2.406 268 N HA 0.168 4.908 4.740 -0.000 0.000 0.269 268 N C -0.472 174.966 175.510 -0.121 0.000 1.210 268 N CA -0.014 52.977 53.050 -0.098 0.000 0.966 268 N CB 0.804 39.251 38.487 -0.066 0.000 1.293 268 N HN 0.415 nan 8.380 nan 0.000 0.491 269 S N 2.694 118.315 115.700 -0.132 0.000 2.601 269 S HA 0.234 4.704 4.470 -0.000 0.000 0.271 269 S C 1.020 175.566 174.600 -0.090 0.000 1.305 269 S CA -0.546 57.578 58.200 -0.126 0.000 1.022 269 S CB 1.631 64.756 63.200 -0.126 0.000 0.940 269 S HN 0.952 nan 8.310 nan 0.000 0.525 270 R N 0.148 120.587 120.500 -0.101 0.000 3.793 270 R HA -0.253 4.087 4.340 -0.000 0.000 0.318 270 R C 1.537 177.785 176.300 -0.087 0.000 0.729 270 R CA 1.690 57.743 56.100 -0.078 0.000 1.731 270 R CB -1.426 28.854 30.300 -0.033 0.000 1.879 270 R HN 0.747 nan 8.270 nan 0.000 0.498 271 R N 1.614 122.064 120.500 -0.083 0.000 2.357 271 R HA -0.020 4.320 4.340 -0.000 0.000 0.202 271 R C 0.659 176.895 176.300 -0.106 0.000 1.047 271 R CA 2.105 58.163 56.100 -0.070 0.000 1.034 271 R CB -0.176 30.092 30.300 -0.053 0.000 0.875 271 R HN 0.583 nan 8.270 nan 0.000 0.473 272 Q N -3.534 116.148 119.800 -0.196 0.000 2.324 272 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 272 Q C 1.116 176.944 176.000 -0.287 0.000 0.645 272 Q CA 0.844 56.436 55.803 -0.353 0.000 1.377 272 Q CB -1.962 26.660 28.738 -0.194 0.000 1.486 272 Q HN 0.601 nan 8.270 nan 0.000 0.796 273 G N 0.166 108.871 108.800 -0.158 0.000 2.485 273 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.221 273 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.221 273 G C 0.522 175.380 174.900 -0.069 0.000 1.115 273 G CA 1.125 46.176 45.100 -0.082 0.000 0.751 273 G HN 0.538 nan 8.290 nan 0.000 0.567 274 c N -1.109 117.397 118.600 -0.157 0.000 3.094 274 c HA 0.523 5.092 4.570 -0.000 0.000 0.414 274 c C 0.550 174.510 174.090 -0.217 0.000 0.993 274 c CA -1.131 55.148 56.329 -0.084 0.000 1.217 274 c CB 0.000 42.481 42.510 -0.049 0.000 1.603 274 c HN 0.437 nan 8.230 nan 0.000 0.564 275 H N 2.341 121.275 119.070 -0.226 0.000 2.547 275 H HA 0.202 4.758 4.556 -0.000 0.000 0.266 275 H C 0.854 175.981 175.328 -0.335 0.000 0.988 275 H CA 0.970 56.817 56.048 -0.335 0.000 1.147 275 H CB -0.075 29.367 29.762 -0.533 0.000 1.365 275 H HN 0.804 nan 8.280 nan 0.000 0.589 276 Q N -0.703 119.012 119.800 -0.141 0.000 2.449 276 Q HA -0.224 4.116 4.340 -0.000 0.000 0.351 276 Q C -1.160 174.929 176.000 0.149 0.000 1.456 276 Q CA -0.037 55.768 55.803 0.004 0.000 0.951 276 Q CB -2.528 26.187 28.738 -0.038 0.000 1.153 276 Q HN 0.516 nan 8.270 nan 0.000 0.341 277 Y N 0.023 120.419 120.300 0.159 0.000 2.597 277 Y HA 0.202 4.752 4.550 -0.000 0.000 0.336 277 Y C 1.360 177.163 175.900 -0.162 0.000 1.216 277 Y CA 0.464 58.563 58.100 -0.001 0.000 1.463 277 Y CB 0.519 38.908 38.460 -0.119 0.000 1.303 277 Y HN 0.399 nan 8.280 nan 0.000 0.576 278 V N 1.158 121.045 119.914 -0.045 0.000 3.184 278 V HA 0.758 4.877 4.120 -0.000 0.000 0.308 278 V C -0.995 174.988 176.094 -0.185 0.000 1.243 278 V CA -1.222 60.938 62.300 -0.233 0.000 1.058 278 V CB 2.104 33.819 31.823 -0.179 0.000 1.183 278 V HN 0.424 nan 8.190 nan 0.000 0.471 279 I N 1.721 122.172 120.570 -0.199 0.000 2.447 279 I HA 0.759 4.929 4.170 -0.000 0.000 0.287 279 I C -0.699 175.412 176.117 -0.011 0.000 1.023 279 I CA 0.048 61.245 61.300 -0.172 0.000 1.083 279 I CB 1.274 39.064 38.000 -0.350 0.000 1.245 279 I HN 0.961 nan 8.210 nan 0.000 0.434 280 H N 5.326 124.345 119.070 -0.084 0.000 2.974 280 H HA 0.392 4.948 4.556 -0.000 0.000 0.366 280 H C 0.226 175.531 175.328 -0.038 0.000 1.155 280 H CA -0.711 55.290 56.048 -0.077 0.000 1.186 280 H CB 1.341 31.057 29.762 -0.076 0.000 1.799 280 H HN 0.577 nan 8.280 nan 0.000 0.541 281 N N 3.065 121.353 118.700 -0.686 0.000 2.708 281 N HA -0.319 4.421 4.740 -0.000 0.000 0.251 281 N C -0.768 174.597 175.510 -0.242 0.000 1.017 281 N CA 1.524 54.301 53.050 -0.455 0.000 0.742 281 N CB -0.984 37.242 38.487 -0.435 0.000 0.943 281 N HN 0.964 nan 8.380 nan 0.000 0.539 282 N N -2.512 116.098 118.700 -0.150 0.000 2.878 282 N HA -0.233 4.507 4.740 -0.000 0.000 0.247 282 N C -1.086 174.372 175.510 -0.086 0.000 1.021 282 N CA 1.535 54.508 53.050 -0.129 0.000 0.873 282 N CB -0.707 37.556 38.487 -0.373 0.000 1.128 282 N HN 0.643 nan 8.380 nan 0.000 0.571 283 K N -0.152 120.255 120.400 0.010 0.000 2.318 283 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 283 K C -0.814 175.849 176.600 0.105 0.000 0.942 283 K CA -0.813 55.542 56.287 0.114 0.000 0.808 283 K CB 2.461 35.047 32.500 0.144 0.000 1.189 283 K HN 0.104 nan 8.250 nan 0.000 0.428 284 c N 4.254 122.926 118.600 0.120 0.000 2.252 284 c HA 0.314 4.883 4.570 -0.000 0.000 0.342 284 c C 0.234 174.408 174.090 0.141 0.000 1.110 284 c CA -0.582 55.734 56.329 -0.022 0.000 1.581 284 c CB -1.793 40.582 42.510 -0.226 0.000 2.087 284 c HN 0.563 nan 8.230 nan 0.000 0.500 285 I N 9.034 129.706 120.570 0.170 0.000 2.834 285 I HA 0.393 4.563 4.170 -0.000 0.000 0.305 285 I C -0.805 175.569 176.117 0.429 0.000 1.008 285 I CA -2.519 58.945 61.300 0.274 0.000 1.273 285 I CB 1.208 39.310 38.000 0.169 0.000 1.432 285 I HN 0.416 nan 8.210 nan 0.000 0.557 286 P HA -0.004 nan 4.420 nan 0.000 0.215 286 P C -0.571 176.645 177.300 -0.140 0.000 1.160 286 P CA 1.084 64.024 63.100 -0.266 0.000 0.869 286 P CB 0.598 32.179 31.700 -0.198 0.000 0.782 287 E N -1.642 118.544 120.200 -0.022 0.000 2.321 287 E HA 0.278 4.628 4.350 -0.000 0.000 0.278 287 E C -0.549 176.055 176.600 0.006 0.000 0.902 287 E CA -0.613 55.781 56.400 -0.011 0.000 0.758 287 E CB 1.082 30.778 29.700 -0.007 0.000 1.213 287 E HN 0.013 nan 8.360 nan 0.000 0.426 288 c N 3.213 121.806 118.600 -0.011 0.000 2.865 288 c HA 0.130 4.700 4.570 -0.000 0.000 0.365 288 c C -1.338 172.755 174.090 0.005 0.000 1.330 288 c CA -0.559 55.753 56.329 -0.029 0.000 2.106 288 c CB -1.074 41.414 42.510 -0.036 0.000 2.590 288 c HN 0.661 nan 8.230 nan 0.000 0.754 289 P HA 0.226 nan 4.420 nan 0.000 0.317 289 P C -0.721 176.572 177.300 -0.011 0.000 1.307 289 P CA -0.182 62.944 63.100 0.044 0.000 0.749 289 P CB 0.058 31.824 31.700 0.110 0.000 1.377 290 S N -1.296 114.360 115.700 -0.073 0.000 2.573 290 S HA 0.224 4.694 4.470 -0.000 0.000 0.297 290 S C 1.302 175.757 174.600 -0.241 0.000 1.280 290 S CA 0.697 58.820 58.200 -0.129 0.000 1.061 290 S CB -1.275 61.847 63.200 -0.130 0.000 0.812 290 S HN 0.970 nan 8.310 nan 0.000 0.500 291 G N 3.014 111.720 108.800 -0.156 0.000 5.059 291 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.336 291 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.336 291 G C 0.056 174.917 174.900 -0.064 0.000 1.364 291 G CA 0.384 45.391 45.100 -0.155 0.000 1.020 291 G HN 1.157 nan 8.290 nan 0.000 0.807 292 Y N 2.411 122.672 120.300 -0.065 0.000 3.084 292 Y HA 0.263 4.812 4.550 -0.000 0.000 0.375 292 Y C 1.270 177.123 175.900 -0.078 0.000 1.192 292 Y CA 0.997 59.042 58.100 -0.091 0.000 1.588 292 Y CB -0.370 37.981 38.460 -0.182 0.000 1.065 292 Y HN 0.701 nan 8.280 nan 0.000 0.585 293 T N 4.322 118.944 114.554 0.114 0.000 2.906 293 T HA 0.516 4.866 4.350 -0.000 0.000 0.295 293 T C -0.200 174.505 174.700 0.009 0.000 1.075 293 T CA -1.196 60.929 62.100 0.043 0.000 1.005 293 T CB 0.863 69.751 68.868 0.034 0.000 1.136 293 T HN 0.524 nan 8.240 nan 0.000 0.498 294 M N 3.174 122.770 119.600 -0.005 0.000 2.245 294 M HA 0.190 4.669 4.480 -0.000 0.000 0.344 294 M C 0.843 177.135 176.300 -0.014 0.000 1.170 294 M CA 0.325 55.608 55.300 -0.029 0.000 1.135 294 M CB 0.194 32.780 32.600 -0.023 0.000 1.574 294 M HN 0.797 nan 8.290 nan 0.000 0.452 295 N N 0.823 119.508 118.700 -0.025 0.000 2.321 295 N HA 0.025 4.765 4.740 -0.000 0.000 0.242 295 N C 0.267 175.779 175.510 0.004 0.000 1.141 295 N CA 0.029 53.074 53.050 -0.007 0.000 0.864 295 N CB 0.402 38.885 38.487 -0.007 0.000 1.100 295 N HN 0.748 nan 8.380 nan 0.000 0.510 296 S N -0.965 114.741 115.700 0.011 0.000 2.427 296 S HA -0.308 4.162 4.470 -0.000 0.000 0.239 296 S C 1.551 176.180 174.600 0.048 0.000 1.316 296 S CA 2.055 60.278 58.200 0.038 0.000 1.695 296 S CB -1.002 62.215 63.200 0.029 0.000 2.284 296 S HN 0.793 nan 8.310 nan 0.000 0.684 297 S N 2.646 118.369 115.700 0.039 0.000 2.291 297 S HA -0.004 4.466 4.470 -0.000 0.000 0.185 297 S C 1.336 176.007 174.600 0.119 0.000 0.996 297 S CA 0.765 59.000 58.200 0.059 0.000 0.997 297 S CB -0.697 62.520 63.200 0.028 0.000 0.899 297 S HN 0.695 nan 8.310 nan 0.000 0.493 298 N N 3.107 121.866 118.700 0.099 0.000 2.571 298 N HA 0.048 4.788 4.740 -0.000 0.000 0.189 298 N C 0.755 176.363 175.510 0.163 0.000 1.154 298 N CA 0.639 53.808 53.050 0.199 0.000 0.907 298 N CB -1.052 37.492 38.487 0.095 0.000 0.977 298 N HN 0.685 nan 8.380 nan 0.000 0.449 299 L N -2.321 118.895 121.223 -0.012 0.000 4.232 299 L HA -0.207 4.133 4.340 -0.000 0.000 0.415 299 L C -0.450 176.306 176.870 -0.189 0.000 1.168 299 L CA 0.132 54.832 54.840 -0.233 0.000 0.966 299 L CB -1.857 39.937 42.059 -0.442 0.000 2.052 299 L HN 0.222 nan 8.230 nan 0.000 0.887 300 L N 0.797 121.969 121.223 -0.085 0.000 2.357 300 L HA 0.409 4.748 4.340 -0.000 0.000 0.273 300 L C 0.399 177.222 176.870 -0.077 0.000 1.080 300 L CA -0.080 54.722 54.840 -0.064 0.000 0.803 300 L CB 1.431 43.478 42.059 -0.021 0.000 1.174 300 L HN 0.208 nan 8.230 nan 0.000 0.443 301 c N 3.074 121.619 118.600 -0.091 0.000 2.325 301 c HA 0.551 5.121 4.570 -0.000 0.000 0.347 301 c C 0.862 174.838 174.090 -0.190 0.000 1.263 301 c CA -0.668 55.568 56.329 -0.156 0.000 1.806 301 c CB -0.336 41.995 42.510 -0.297 0.000 2.405 301 c HN 0.868 nan 8.230 nan 0.000 0.537 302 T N 2.055 116.567 114.554 -0.070 0.000 2.922 302 T HA 0.388 4.738 4.350 -0.000 0.000 0.285 302 T C -0.986 173.813 174.700 0.164 0.000 1.005 302 T CA -1.451 60.647 62.100 -0.004 0.000 1.061 302 T CB 1.548 70.428 68.868 0.020 0.000 1.007 302 T HN 0.449 nan 8.240 nan 0.000 0.502 303 P HA -0.119 nan 4.420 nan 0.000 0.213 303 P C 0.812 178.240 177.300 0.214 0.000 1.176 303 P CA 1.302 64.634 63.100 0.387 0.000 0.919 303 P CB -0.663 31.163 31.700 0.211 0.000 0.791 304 c N -1.468 117.199 118.600 0.112 0.000 0.399 304 c HA -0.099 4.470 4.570 -0.000 0.000 0.064 304 c C -0.487 173.617 174.090 0.023 0.000 0.220 304 c CA -1.024 55.339 56.329 0.057 0.000 1.056 304 c CB -2.269 40.273 42.510 0.055 0.000 3.131 304 c HN 0.448 nan 8.230 nan 0.000 1.076 305 L N 7.926 129.158 121.223 0.016 0.000 2.309 305 L HA 0.924 5.264 4.340 -0.000 0.000 0.282 305 L C 0.937 177.806 176.870 -0.001 0.000 1.036 305 L CA 2.131 56.973 54.840 0.003 0.000 0.806 305 L CB 1.057 43.120 42.059 0.008 0.000 1.220 305 L HN 2.645 nan 8.230 nan 0.000 0.429 306 G N 4.455 113.250 108.800 -0.008 0.000 2.760 306 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.246 306 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.246 306 G C -2.710 172.185 174.900 -0.008 0.000 1.359 306 G CA -0.755 44.342 45.100 -0.005 0.000 0.861 306 G HN 0.617 nan 8.290 nan 0.000 0.541 307 P HA 0.330 nan 4.420 nan 0.000 0.261 307 P C 0.297 177.597 177.300 -0.001 0.000 1.203 307 P CA -0.091 63.008 63.100 -0.001 0.000 0.767 307 P CB 0.195 31.900 31.700 0.008 0.000 0.785 308 c N 7.568 126.165 118.600 -0.005 0.000 2.499 308 c HA 0.240 4.810 4.570 -0.000 0.000 0.386 308 c C -1.210 172.882 174.090 0.004 0.000 1.293 308 c CA -1.095 55.234 56.329 0.001 0.000 1.884 308 c CB -0.491 42.019 42.510 0.000 0.000 2.509 308 c HN 0.578 nan 8.230 nan 0.000 0.566 309 P HA 0.043 nan 4.420 nan 0.000 0.271 309 P C -0.817 176.487 177.300 0.006 0.000 1.212 309 P CA 0.442 63.544 63.100 0.005 0.000 0.788 309 P CB 0.492 32.195 31.700 0.004 0.000 0.865 310 K N 0.189 120.593 120.400 0.006 0.000 2.578 310 K HA 0.329 4.649 4.320 -0.000 0.000 0.263 310 K C -1.743 174.862 176.600 0.010 0.000 0.973 310 K CA -0.706 55.586 56.287 0.008 0.000 0.909 310 K CB 1.115 33.620 32.500 0.008 0.000 1.326 310 K HN 0.138 nan 8.250 nan 0.000 0.440 311 V N 2.281 122.205 119.914 0.017 0.000 2.966 311 V HA 0.588 4.707 4.120 -0.000 0.000 0.317 311 V C -0.421 175.694 176.094 0.035 0.000 1.070 311 V CA -0.661 61.654 62.300 0.026 0.000 1.008 311 V CB 1.612 33.468 31.823 0.054 0.000 1.070 311 V HN 0.909 nan 8.190 nan 0.000 0.457 312 c N 1.669 120.288 118.600 0.031 0.000 2.660 312 c HA 0.330 4.900 4.570 -0.000 0.000 0.336 312 c C -0.058 174.053 174.090 0.036 0.000 1.058 312 c CA -0.762 55.588 56.329 0.036 0.000 1.368 312 c CB -0.314 42.202 42.510 0.011 0.000 1.884 312 c HN 0.864 nan 8.230 nan 0.000 0.454 313 H N 3.517 122.566 119.070 -0.035 0.000 3.109 313 H HA 0.176 4.732 4.556 -0.000 0.000 0.266 313 H C 0.313 175.622 175.328 -0.032 0.000 1.334 313 H CA 0.189 56.216 56.048 -0.035 0.000 1.456 313 H CB 0.540 30.279 29.762 -0.039 0.000 1.587 313 H HN 0.615 nan 8.280 nan 0.000 0.500 314 L N 4.099 125.315 121.223 -0.011 0.000 2.628 314 L HA -0.213 4.127 4.340 -0.000 0.000 0.292 314 L C 0.372 177.249 176.870 0.011 0.000 1.250 314 L CA -0.111 54.722 54.840 -0.011 0.000 0.892 314 L CB 0.213 42.243 42.059 -0.047 0.000 1.138 314 L HN 0.401 nan 8.230 nan 0.000 0.502 315 L N 5.490 126.719 121.223 0.010 0.000 2.652 315 L HA 0.002 4.341 4.340 -0.000 0.000 0.284 315 L C 0.955 177.830 176.870 0.008 0.000 1.204 315 L CA 0.831 55.678 54.840 0.011 0.000 1.105 315 L CB -1.114 40.950 42.059 0.007 0.000 1.393 315 L HN 0.599 nan 8.230 nan 0.000 0.452 316 E N 1.199 121.406 120.200 0.013 0.000 3.687 316 E HA -0.257 4.093 4.350 -0.000 0.000 0.319 316 E C 1.235 177.838 176.600 0.004 0.000 0.821 316 E CA 0.638 57.044 56.400 0.011 0.000 1.195 316 E CB -1.521 28.185 29.700 0.009 0.000 1.605 316 E HN 0.929 nan 8.360 nan 0.000 0.419 317 G N 0.440 109.233 108.800 -0.011 0.000 2.812 317 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.219 317 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.219 317 G C 0.706 175.574 174.900 -0.054 0.000 1.275 317 G CA 1.021 46.102 45.100 -0.033 0.000 0.769 317 G HN 0.487 nan 8.290 nan 0.000 0.527 318 E N 0.410 120.596 120.200 -0.024 0.000 3.840 318 E HA 0.448 4.798 4.350 -0.000 0.000 0.562 318 E C 0.002 176.586 176.600 -0.027 0.000 0.276 318 E CA 0.378 56.762 56.400 -0.026 0.000 3.476 318 E CB -0.034 29.674 29.700 0.014 0.000 2.293 318 E HN 0.237 nan 8.360 nan 0.000 0.336 319 K N 0.850 121.249 120.400 -0.003 0.000 6.004 319 K HA -0.083 4.236 4.320 -0.000 0.000 0.832 319 K C -0.818 175.792 176.600 0.017 0.000 1.898 319 K CA 1.071 57.362 56.287 0.006 0.000 1.619 319 K CB -1.880 30.621 32.500 0.002 0.000 2.304 319 K HN 0.854 nan 8.250 nan 0.000 0.279 320 T N -0.048 114.524 114.554 0.030 0.000 2.932 320 T HA 0.853 5.203 4.350 -0.000 0.000 0.289 320 T C 0.600 175.330 174.700 0.050 0.000 1.039 320 T CA -1.204 60.926 62.100 0.051 0.000 1.024 320 T CB 1.564 70.468 68.868 0.059 0.000 1.090 320 T HN 0.379 nan 8.240 nan 0.000 0.496 321 I N 1.660 122.270 120.570 0.067 0.000 2.385 321 I HA 0.510 4.680 4.170 -0.000 0.000 0.294 321 I C -0.193 175.939 176.117 0.026 0.000 0.988 321 I CA -0.676 60.649 61.300 0.042 0.000 1.265 321 I CB 1.190 39.218 38.000 0.046 0.000 1.388 321 I HN 0.974 nan 8.210 nan 0.000 0.480 322 D N 2.510 122.912 120.400 0.004 0.000 2.460 322 D HA 0.032 4.672 4.640 -0.000 0.000 0.263 322 D C 0.188 176.477 176.300 -0.019 0.000 1.209 322 D CA 0.142 54.142 54.000 0.000 0.000 0.818 322 D CB 0.582 41.389 40.800 0.011 0.000 1.239 322 D HN 0.611 nan 8.370 nan 0.000 0.530 323 S N -0.639 115.043 115.700 -0.030 0.000 2.579 323 S HA 0.442 4.911 4.470 -0.000 0.000 0.272 323 S C 1.041 175.607 174.600 -0.056 0.000 1.141 323 S CA -0.275 57.901 58.200 -0.040 0.000 0.843 323 S CB 1.874 65.059 63.200 -0.025 0.000 1.122 323 S HN -0.195 nan 8.310 nan 0.000 0.468 324 V N 1.735 121.610 119.914 -0.065 0.000 2.220 324 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 324 V C 3.164 179.227 176.094 -0.051 0.000 1.056 324 V CA 2.883 65.139 62.300 -0.073 0.000 1.016 324 V CB -2.194 29.589 31.823 -0.067 0.000 0.639 324 V HN 1.122 nan 8.190 nan 0.000 0.446 325 T N 0.117 114.649 114.554 -0.036 0.000 2.699 325 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 325 T C 1.886 176.577 174.700 -0.015 0.000 1.036 325 T CA 2.051 64.137 62.100 -0.023 0.000 1.147 325 T CB -0.972 67.885 68.868 -0.018 0.000 0.862 325 T HN 0.688 nan 8.240 nan 0.000 0.446 326 S N 1.866 117.557 115.700 -0.015 0.000 2.493 326 S HA 0.158 4.627 4.470 -0.000 0.000 0.243 326 S C 2.167 176.769 174.600 0.003 0.000 0.991 326 S CA 0.663 58.861 58.200 -0.004 0.000 0.957 326 S CB -0.674 62.525 63.200 -0.002 0.000 0.756 326 S HN 0.816 nan 8.310 nan 0.000 0.521 327 A N 1.677 124.492 122.820 -0.009 0.000 1.901 327 A HA 0.131 4.451 4.320 -0.000 0.000 0.210 327 A C 2.206 179.798 177.584 0.013 0.000 1.208 327 A CA 0.636 52.675 52.037 0.004 0.000 0.644 327 A CB -0.623 18.358 19.000 -0.032 0.000 0.863 327 A HN 0.536 nan 8.150 nan 0.000 0.454 328 Q N 0.530 120.329 119.800 -0.002 0.000 2.268 328 Q HA -0.250 4.089 4.340 -0.000 0.000 0.210 328 Q C 1.710 177.715 176.000 0.008 0.000 0.988 328 Q CA 1.687 57.490 55.803 0.001 0.000 0.883 328 Q CB -0.404 28.328 28.738 -0.009 0.000 0.911 328 Q HN 0.944 nan 8.270 nan 0.000 0.430 329 E N 0.312 120.518 120.200 0.010 0.000 2.418 329 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 329 E C 1.488 178.100 176.600 0.021 0.000 1.026 329 E CA 0.557 56.965 56.400 0.013 0.000 0.862 329 E CB 0.042 29.748 29.700 0.011 0.000 0.799 329 E HN 0.375 nan 8.360 nan 0.000 0.518 330 L N 0.939 122.181 121.223 0.031 0.000 2.858 330 L HA 0.270 4.610 4.340 -0.000 0.000 0.251 330 L C 0.878 177.776 176.870 0.048 0.000 1.149 330 L CA -0.449 54.417 54.840 0.043 0.000 0.955 330 L CB 0.237 42.334 42.059 0.064 0.000 1.289 330 L HN 0.043 nan 8.230 nan 0.000 0.542 331 R N -0.158 120.365 120.500 0.038 0.000 2.705 331 R HA -0.081 4.259 4.340 -0.000 0.000 0.264 331 R C 1.433 177.754 176.300 0.035 0.000 0.988 331 R CA 1.428 57.551 56.100 0.037 0.000 1.103 331 R CB 0.198 30.511 30.300 0.021 0.000 0.950 331 R HN 0.331 nan 8.270 nan 0.000 0.427 332 G N 2.104 110.927 108.800 0.038 0.000 2.485 332 G HA2 -0.449 3.510 3.960 -0.000 0.000 0.255 332 G HA3 -0.449 3.510 3.960 -0.000 0.000 0.255 332 G C 0.591 175.510 174.900 0.031 0.000 0.992 332 G CA 0.682 45.800 45.100 0.030 0.000 0.643 332 G HN 0.872 nan 8.290 nan 0.000 0.565 333 c N 1.905 120.525 118.600 0.033 0.000 2.538 333 c HA 0.464 5.034 4.570 -0.000 0.000 0.408 333 c C 2.358 176.464 174.090 0.027 0.000 1.421 333 c CA 1.708 58.053 56.329 0.026 0.000 1.642 333 c CB 0.058 42.584 42.510 0.026 0.000 2.553 333 c HN 0.926 nan 8.230 nan 0.000 0.604 334 T N 2.148 116.710 114.554 0.013 0.000 3.001 334 T HA 0.298 4.648 4.350 -0.000 0.000 0.251 334 T C -0.110 174.582 174.700 -0.013 0.000 1.040 334 T CA 0.489 62.593 62.100 0.007 0.000 0.985 334 T CB -0.069 68.802 68.868 0.006 0.000 1.011 334 T HN 0.944 nan 8.240 nan 0.000 0.509 335 V N 0.576 120.479 119.914 -0.018 0.000 2.624 335 V HA 0.564 4.684 4.120 -0.000 0.000 0.294 335 V C -1.165 174.899 176.094 -0.051 0.000 1.077 335 V CA -1.377 60.899 62.300 -0.040 0.000 0.905 335 V CB 0.988 32.789 31.823 -0.036 0.000 1.025 335 V HN 0.147 nan 8.190 nan 0.000 0.440 336 I N 3.514 124.040 120.570 -0.073 0.000 2.325 336 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 336 I C 0.688 176.725 176.117 -0.134 0.000 1.019 336 I CA 0.142 61.390 61.300 -0.087 0.000 1.302 336 I CB 1.153 39.103 38.000 -0.084 0.000 1.401 336 I HN 0.766 nan 8.210 nan 0.000 0.485 337 N N 5.174 123.760 118.700 -0.191 0.000 3.298 337 N HA 0.526 5.266 4.740 -0.000 0.000 0.292 337 N C 0.069 175.420 175.510 -0.265 0.000 1.271 337 N CA 0.194 53.054 53.050 -0.317 0.000 1.184 337 N CB 0.070 38.124 38.487 -0.721 0.000 1.452 337 N HN 0.802 nan 8.380 nan 0.000 0.534 338 G N -0.926 107.767 108.800 -0.179 0.000 2.825 338 G HA2 0.281 4.241 3.960 -0.000 0.000 0.100 338 G HA3 0.281 4.241 3.960 -0.000 0.000 0.100 338 G C -1.390 173.395 174.900 -0.191 0.000 1.195 338 G CA -0.496 44.513 45.100 -0.151 0.000 1.317 338 G HN 0.144 nan 8.290 nan 0.000 0.632 339 S N 0.794 116.350 115.700 -0.239 0.000 2.387 339 S HA 0.422 4.891 4.470 -0.000 0.000 0.211 339 S C -0.425 173.990 174.600 -0.309 0.000 1.055 339 S CA -0.662 57.278 58.200 -0.433 0.000 1.133 339 S CB -0.150 62.473 63.200 -0.961 0.000 1.235 339 S HN 0.900 nan 8.310 nan 0.000 0.425 340 L N 1.684 122.813 121.223 -0.157 0.000 2.397 340 L HA 0.682 5.022 4.340 -0.000 0.000 0.271 340 L C -0.615 176.275 176.870 0.034 0.000 1.148 340 L CA -0.581 54.243 54.840 -0.026 0.000 0.825 340 L CB 0.155 42.250 42.059 0.060 0.000 1.117 340 L HN 0.300 nan 8.230 nan 0.000 0.456 341 I N 4.819 125.441 120.570 0.087 0.000 2.437 341 I HA 0.325 4.495 4.170 -0.000 0.000 0.279 341 I C 0.200 176.419 176.117 0.170 0.000 1.028 341 I CA -0.761 60.627 61.300 0.147 0.000 1.142 341 I CB 1.032 39.110 38.000 0.130 0.000 1.266 341 I HN 0.530 nan 8.210 nan 0.000 0.461 342 I N 4.155 124.865 120.570 0.233 0.000 2.598 342 I HA 0.072 4.241 4.170 -0.000 0.000 0.284 342 I C 0.476 176.676 176.117 0.137 0.000 1.140 342 I CA 0.509 61.925 61.300 0.194 0.000 1.420 342 I CB -0.290 37.867 38.000 0.261 0.000 1.387 342 I HN 0.717 nan 8.210 nan 0.000 0.553 343 N N 6.229 124.981 118.700 0.088 0.000 2.639 343 N HA 0.259 4.999 4.740 -0.000 0.000 0.265 343 N C -1.039 174.496 175.510 0.042 0.000 1.689 343 N CA -0.294 52.800 53.050 0.074 0.000 0.813 343 N CB 0.480 39.010 38.487 0.072 0.000 1.353 343 N HN 0.397 nan 8.380 nan 0.000 0.510 344 I N 1.472 122.056 120.570 0.023 0.000 2.312 344 I HA 0.199 4.368 4.170 -0.000 0.000 0.291 344 I C 1.341 177.473 176.117 0.025 0.000 1.031 344 I CA -0.150 61.144 61.300 -0.011 0.000 1.293 344 I CB 1.137 39.086 38.000 -0.084 0.000 1.403 344 I HN 0.496 nan 8.210 nan 0.000 0.484 345 R N 4.760 125.283 120.500 0.038 0.000 2.087 345 R HA 0.207 4.547 4.340 -0.000 0.000 0.216 345 R C 0.628 176.984 176.300 0.093 0.000 1.114 345 R CA 0.827 56.981 56.100 0.090 0.000 1.002 345 R CB 0.672 31.011 30.300 0.064 0.000 0.903 345 R HN 0.768 nan 8.270 nan 0.000 0.445 346 G N -1.525 107.297 108.800 0.037 0.000 2.921 346 G HA2 0.544 4.503 3.960 -0.000 0.000 0.291 346 G HA3 0.544 4.503 3.960 -0.000 0.000 0.291 346 G C -1.196 173.693 174.900 -0.017 0.000 1.370 346 G CA -0.242 44.871 45.100 0.022 0.000 0.847 346 G HN 0.443 nan 8.290 nan 0.000 0.532 347 G N -1.062 107.724 108.800 -0.023 0.000 2.301 347 G HA2 0.265 4.225 3.960 -0.000 0.000 0.290 347 G HA3 0.265 4.225 3.960 -0.000 0.000 0.290 347 G C -0.862 174.009 174.900 -0.048 0.000 1.669 347 G CA -0.805 44.270 45.100 -0.042 0.000 0.945 347 G HN 0.801 nan 8.290 nan 0.000 0.710 348 N N 1.418 120.089 118.700 -0.048 0.000 2.371 348 N HA 0.264 5.004 4.740 -0.000 0.000 0.243 348 N C 1.444 176.913 175.510 -0.068 0.000 1.287 348 N CA 0.196 53.215 53.050 -0.052 0.000 0.911 348 N CB 0.606 39.064 38.487 -0.048 0.000 1.142 348 N HN 0.975 nan 8.380 nan 0.000 0.451 349 N N 0.061 118.717 118.700 -0.074 0.000 2.289 349 N HA -0.361 4.379 4.740 -0.000 0.000 0.225 349 N C 0.339 175.790 175.510 -0.097 0.000 0.871 349 N CA 2.216 55.211 53.050 -0.092 0.000 2.759 349 N CB -0.504 37.927 38.487 -0.094 0.000 0.818 349 N HN 0.640 nan 8.380 nan 0.000 0.471 350 L N -2.014 119.153 121.223 -0.092 0.000 4.993 350 L HA -0.286 4.054 4.340 -0.000 0.000 0.053 350 L C 1.485 178.276 176.870 -0.132 0.000 3.697 350 L CA 3.376 58.158 54.840 -0.096 0.000 1.047 350 L CB -1.998 40.020 42.059 -0.067 0.000 3.289 350 L HN 0.550 nan 8.230 nan 0.000 1.066 351 A N -1.523 121.231 122.820 -0.110 0.000 2.140 351 A HA 0.633 4.952 4.320 -0.000 0.000 0.209 351 A C 1.870 179.400 177.584 -0.090 0.000 1.181 351 A CA 1.373 53.342 52.037 -0.114 0.000 0.824 351 A CB -0.278 18.707 19.000 -0.025 0.000 0.879 351 A HN 0.940 nan 8.150 nan 0.000 0.480 352 A N -0.051 122.714 122.820 -0.092 0.000 2.070 352 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 352 A C 1.889 179.429 177.584 -0.074 0.000 1.159 352 A CA 1.704 53.693 52.037 -0.081 0.000 0.656 352 A CB -0.236 18.698 19.000 -0.111 0.000 0.800 352 A HN 0.387 nan 8.150 nan 0.000 0.453 353 E N -0.358 119.783 120.200 -0.098 0.000 2.030 353 E HA -0.040 4.310 4.350 -0.000 0.000 0.189 353 E C 2.023 178.554 176.600 -0.115 0.000 0.974 353 E CA 0.363 56.705 56.400 -0.097 0.000 0.807 353 E CB -0.562 29.074 29.700 -0.107 0.000 0.771 353 E HN 0.364 nan 8.360 nan 0.000 0.451 354 L N 1.957 123.047 121.223 -0.220 0.000 2.089 354 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 354 L C 2.139 178.940 176.870 -0.114 0.000 1.079 354 L CA 1.673 56.284 54.840 -0.381 0.000 0.758 354 L CB -0.927 40.562 42.059 -0.950 0.000 0.891 354 L HN 0.259 nan 8.230 nan 0.000 0.433 355 E N -0.640 119.556 120.200 -0.008 0.000 1.993 355 E HA -0.213 4.136 4.350 -0.000 0.000 0.198 355 E C 1.997 178.657 176.600 0.099 0.000 0.999 355 E CA 1.163 57.632 56.400 0.114 0.000 0.850 355 E CB -0.093 29.649 29.700 0.071 0.000 0.796 355 E HN 0.411 nan 8.360 nan 0.000 0.482 356 A N 1.223 124.070 122.820 0.045 0.000 2.117 356 A HA -0.282 4.038 4.320 -0.000 0.000 0.224 356 A C 1.639 179.254 177.584 0.052 0.000 1.167 356 A CA 2.080 54.141 52.037 0.039 0.000 0.664 356 A CB -0.835 18.169 19.000 0.006 0.000 0.811 356 A HN 0.383 nan 8.150 nan 0.000 0.470 357 N N -0.977 117.758 118.700 0.059 0.000 2.368 357 N HA 0.123 4.862 4.740 -0.000 0.000 0.178 357 N C 1.280 176.871 175.510 0.135 0.000 1.021 357 N CA 1.271 54.362 53.050 0.070 0.000 0.875 357 N CB 0.014 38.522 38.487 0.035 0.000 1.020 357 N HN 0.546 nan 8.380 nan 0.000 0.433 358 L N -1.109 120.249 121.223 0.225 0.000 2.701 358 L HA 0.424 4.764 4.340 -0.000 0.000 0.238 358 L C 1.940 179.047 176.870 0.396 0.000 1.106 358 L CA -0.077 54.986 54.840 0.371 0.000 0.898 358 L CB -0.131 42.345 42.059 0.696 0.000 1.188 358 L HN -0.041 nan 8.230 nan 0.000 0.508 359 G N 0.778 109.766 108.800 0.313 0.000 2.740 359 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.208 359 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.208 359 G C 1.261 176.271 174.900 0.182 0.000 1.148 359 G CA 0.312 45.569 45.100 0.263 0.000 0.795 359 G HN 0.150 nan 8.290 nan 0.000 0.526 360 L N -0.285 121.031 121.223 0.156 0.000 2.575 360 L HA 0.437 4.777 4.340 -0.000 0.000 0.228 360 L C 1.218 178.133 176.870 0.074 0.000 1.075 360 L CA -0.002 54.895 54.840 0.096 0.000 0.867 360 L CB -0.246 41.856 42.059 0.072 0.000 1.097 360 L HN 0.089 nan 8.230 nan 0.000 0.485 361 I N 0.579 121.200 120.570 0.086 0.000 2.752 361 I HA -0.157 4.012 4.170 -0.000 0.000 0.289 361 I C 1.383 177.497 176.117 -0.004 0.000 1.197 361 I CA 0.712 62.022 61.300 0.018 0.000 1.432 361 I CB 0.659 38.638 38.000 -0.036 0.000 1.359 361 I HN 0.192 nan 8.210 nan 0.000 0.571 362 E N 4.033 124.214 120.200 -0.031 0.000 2.399 362 E HA 0.104 4.454 4.350 -0.000 0.000 0.205 362 E C 0.207 176.761 176.600 -0.077 0.000 0.906 362 E CA 0.113 56.488 56.400 -0.042 0.000 0.998 362 E CB 0.733 30.413 29.700 -0.033 0.000 1.002 362 E HN 0.670 nan 8.360 nan 0.000 0.501 363 E N 0.894 121.043 120.200 -0.086 0.000 2.372 363 E HA 0.263 4.613 4.350 -0.000 0.000 0.279 363 E C -1.592 174.945 176.600 -0.106 0.000 0.946 363 E CA -0.612 55.730 56.400 -0.097 0.000 0.769 363 E CB 1.686 31.339 29.700 -0.077 0.000 1.230 363 E HN -0.142 nan 8.360 nan 0.000 0.442 364 I N 3.534 124.039 120.570 -0.108 0.000 2.436 364 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 364 I C 1.527 177.594 176.117 -0.083 0.000 1.010 364 I CA -0.641 60.595 61.300 -0.107 0.000 1.098 364 I CB 0.983 38.913 38.000 -0.116 0.000 1.266 364 I HN 0.812 nan 8.210 nan 0.000 0.434 365 S N 5.081 120.726 115.700 -0.092 0.000 2.335 365 S HA -0.018 4.452 4.470 -0.000 0.000 0.216 365 S C 1.293 175.866 174.600 -0.045 0.000 1.032 365 S CA 0.825 58.980 58.200 -0.075 0.000 1.000 365 S CB -0.711 62.427 63.200 -0.103 0.000 0.928 365 S HN 0.713 nan 8.310 nan 0.000 0.434 366 G N 1.192 109.955 108.800 -0.063 0.000 2.711 366 G HA2 0.394 4.354 3.960 -0.000 0.000 0.186 366 G HA3 0.394 4.354 3.960 -0.000 0.000 0.186 366 G C -0.154 174.770 174.900 0.039 0.000 1.635 366 G CA 0.016 45.107 45.100 -0.016 0.000 1.065 366 G HN 0.811 nan 8.290 nan 0.000 0.545 367 Y N -1.553 118.771 120.300 0.040 0.000 2.409 367 Y HA 0.706 5.256 4.550 -0.000 0.000 0.339 367 Y C -0.643 175.338 175.900 0.135 0.000 1.033 367 Y CA -1.954 56.203 58.100 0.096 0.000 1.094 367 Y CB 1.615 40.131 38.460 0.094 0.000 1.210 367 Y HN 0.391 nan 8.280 nan 0.000 0.456 368 L N 4.801 126.205 121.223 0.301 0.000 2.275 368 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 368 L C -0.760 176.404 176.870 0.489 0.000 1.046 368 L CA -0.592 54.448 54.840 0.334 0.000 0.805 368 L CB 0.970 43.294 42.059 0.442 0.000 1.193 368 L HN 0.843 nan 8.230 nan 0.000 0.426 369 K N 5.861 126.491 120.400 0.383 0.000 2.345 369 K HA 0.577 4.897 4.320 -0.000 0.000 0.255 369 K C -1.599 175.156 176.600 0.259 0.000 0.934 369 K CA -0.627 55.870 56.287 0.350 0.000 0.801 369 K CB 1.286 34.053 32.500 0.446 0.000 1.137 369 K HN 0.740 nan 8.250 nan 0.000 0.424 370 I N 4.568 125.230 120.570 0.153 0.000 2.389 370 I HA 0.419 4.589 4.170 -0.000 0.000 0.288 370 I C -0.337 175.873 176.117 0.156 0.000 0.999 370 I CA -0.636 60.759 61.300 0.158 0.000 1.129 370 I CB 1.645 39.722 38.000 0.128 0.000 1.288 370 I HN 0.527 nan 8.210 nan 0.000 0.444 371 R N 6.529 127.131 120.500 0.170 0.000 2.564 371 R HA 0.538 4.877 4.340 -0.000 0.000 0.284 371 R C -0.696 175.683 176.300 0.132 0.000 1.031 371 R CA -0.674 55.529 56.100 0.172 0.000 0.904 371 R CB 1.323 31.752 30.300 0.215 0.000 1.199 371 R HN 0.669 nan 8.270 nan 0.000 0.443 372 R N 1.851 122.425 120.500 0.123 0.000 3.225 372 R HA -0.123 4.216 4.340 -0.000 0.000 0.245 372 R C -0.831 175.537 176.300 0.114 0.000 0.928 372 R CA 0.900 57.065 56.100 0.107 0.000 0.632 372 R CB -2.143 28.204 30.300 0.078 0.000 1.038 372 R HN 0.551 nan 8.270 nan 0.000 0.461 373 S N 0.868 116.637 115.700 0.114 0.000 3.548 373 S HA 0.076 4.546 4.470 -0.000 0.000 0.195 373 S C 0.682 175.343 174.600 0.101 0.000 1.432 373 S CA -0.642 57.615 58.200 0.095 0.000 1.087 373 S CB -0.009 63.236 63.200 0.075 0.000 1.337 373 S HN 0.447 nan 8.310 nan 0.000 0.505 374 Y N 2.242 122.546 120.300 0.007 0.000 2.365 374 Y HA -0.267 4.283 4.550 -0.000 0.000 0.287 374 Y C 1.965 177.860 175.900 -0.008 0.000 1.162 374 Y CA 1.611 59.712 58.100 0.001 0.000 1.260 374 Y CB -0.109 38.351 38.460 0.001 0.000 0.976 374 Y HN 0.572 nan 8.280 nan 0.000 0.548 375 A N -0.349 122.455 122.820 -0.026 0.000 1.984 375 A HA 0.165 4.485 4.320 -0.000 0.000 0.214 375 A C 0.952 178.460 177.584 -0.125 0.000 1.173 375 A CA -0.042 51.927 52.037 -0.113 0.000 0.673 375 A CB -0.563 18.419 19.000 -0.030 0.000 0.830 375 A HN 0.292 nan 8.150 nan 0.000 0.453 376 L N -0.141 121.033 121.223 -0.082 0.000 2.452 376 L HA 0.232 4.571 4.340 -0.000 0.000 0.267 376 L C 1.236 178.050 176.870 -0.095 0.000 1.188 376 L CA -0.014 54.789 54.840 -0.063 0.000 0.821 376 L CB 1.359 43.419 42.059 0.000 0.000 1.102 376 L HN 0.260 nan 8.230 nan 0.000 0.470 377 V N -3.008 116.846 119.914 -0.100 0.000 3.245 377 V HA 0.266 4.386 4.120 -0.000 0.000 0.246 377 V C 0.261 176.249 176.094 -0.177 0.000 1.487 377 V CA 0.068 62.280 62.300 -0.148 0.000 1.154 377 V CB 0.763 32.474 31.823 -0.186 0.000 0.971 377 V HN 0.637 nan 8.190 nan 0.000 0.443 378 S N 0.081 115.675 115.700 -0.177 0.000 2.619 378 S HA 0.601 5.071 4.470 -0.000 0.000 0.280 378 S C 0.030 174.386 174.600 -0.407 0.000 1.150 378 S CA -0.593 57.431 58.200 -0.295 0.000 0.978 378 S CB 1.764 64.795 63.200 -0.282 0.000 1.041 378 S HN 0.306 nan 8.310 nan 0.000 0.485 379 L N 3.920 124.694 121.223 -0.747 0.000 2.622 379 L HA -0.001 4.339 4.340 -0.000 0.000 0.233 379 L C 2.410 178.350 176.870 -1.550 0.000 1.156 379 L CA 0.654 54.744 54.840 -1.249 0.000 0.866 379 L CB -0.965 40.128 42.059 -1.609 0.000 0.980 379 L HN 0.857 nan 8.230 nan 0.000 0.448 380 S N 1.383 116.476 115.700 -1.012 0.000 2.380 380 S HA -0.308 4.162 4.470 -0.000 0.000 0.229 380 S C 1.812 176.174 174.600 -0.396 0.000 1.043 380 S CA 1.637 59.461 58.200 -0.628 0.000 1.038 380 S CB -1.215 61.796 63.200 -0.316 0.000 0.872 380 S HN 0.610 nan 8.310 nan 0.000 0.456 381 F N 0.525 120.336 119.950 -0.232 0.000 2.304 381 F HA 0.031 4.558 4.527 -0.000 0.000 0.301 381 F C 1.092 176.890 175.800 -0.003 0.000 1.052 381 F CA 0.156 58.063 58.000 -0.155 0.000 1.389 381 F CB -1.209 37.639 39.000 -0.253 0.000 1.081 381 F HN 0.094 nan 8.300 nan 0.000 0.538 382 F N 1.652 121.406 119.950 -0.327 0.000 2.873 382 F HA 0.322 4.849 4.527 -0.000 0.000 0.289 382 F C 1.845 177.732 175.800 0.145 0.000 1.206 382 F CA -1.048 56.962 58.000 0.017 0.000 1.401 382 F CB -0.822 38.227 39.000 0.082 0.000 0.996 382 F HN -0.099 nan 8.300 nan 0.000 0.511 383 R N 0.984 121.643 120.500 0.265 0.000 2.196 383 R HA -0.237 4.102 4.340 -0.000 0.000 0.259 383 R C 1.875 178.373 176.300 0.331 0.000 1.154 383 R CA 1.574 57.815 56.100 0.235 0.000 0.976 383 R CB -0.290 30.111 30.300 0.168 0.000 0.888 383 R HN 0.267 nan 8.270 nan 0.000 0.453 384 K N -0.020 120.530 120.400 0.250 0.000 2.400 384 K HA 0.071 4.390 4.320 -0.000 0.000 0.194 384 K C 0.781 177.453 176.600 0.120 0.000 1.033 384 K CA -0.247 56.139 56.287 0.164 0.000 1.021 384 K CB -0.047 32.514 32.500 0.102 0.000 0.808 384 K HN 0.121 nan 8.250 nan 0.000 0.505 385 L N 1.327 122.646 121.223 0.161 0.000 2.506 385 L HA -0.097 4.243 4.340 -0.000 0.000 0.281 385 L C 0.370 177.205 176.870 -0.058 0.000 1.228 385 L CA 0.723 55.572 54.840 0.015 0.000 0.850 385 L CB 0.363 42.395 42.059 -0.046 0.000 1.110 385 L HN 0.156 nan 8.230 nan 0.000 0.496 386 R N 3.600 124.016 120.500 -0.141 0.000 2.495 386 R HA 0.300 4.640 4.340 -0.000 0.000 0.299 386 R C -1.303 174.896 176.300 -0.168 0.000 0.902 386 R CA -0.606 55.376 56.100 -0.197 0.000 1.103 386 R CB 0.399 30.587 30.300 -0.187 0.000 1.750 386 R HN 0.415 nan 8.270 nan 0.000 0.480 387 L N 0.633 121.767 121.223 -0.147 0.000 2.513 387 L HA 0.554 4.893 4.340 -0.000 0.000 0.261 387 L C -1.664 175.138 176.870 -0.112 0.000 0.945 387 L CA -0.684 54.083 54.840 -0.122 0.000 0.848 387 L CB 2.142 44.146 42.059 -0.093 0.000 1.334 387 L HN 0.045 nan 8.230 nan 0.000 0.407 388 I N 5.765 126.280 120.570 -0.091 0.000 2.668 388 I HA 0.319 4.488 4.170 -0.000 0.000 0.276 388 I C 0.939 177.043 176.117 -0.022 0.000 1.139 388 I CA -0.464 60.805 61.300 -0.052 0.000 1.133 388 I CB 1.143 39.127 38.000 -0.027 0.000 1.327 388 I HN 0.758 nan 8.210 nan 0.000 0.520 389 R N 3.000 123.483 120.500 -0.029 0.000 2.154 389 R HA -0.144 4.196 4.340 -0.000 0.000 0.248 389 R C 1.488 177.794 176.300 0.009 0.000 1.155 389 R CA 1.103 57.192 56.100 -0.018 0.000 0.979 389 R CB -0.155 30.129 30.300 -0.028 0.000 0.869 389 R HN 0.864 nan 8.270 nan 0.000 0.452 390 G N 1.208 110.029 108.800 0.035 0.000 2.273 390 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 390 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 390 G C 0.385 175.317 174.900 0.053 0.000 1.047 390 G CA 0.589 45.735 45.100 0.078 0.000 0.869 390 G HN 0.363 nan 8.290 nan 0.000 0.502 391 E N 0.038 120.255 120.200 0.028 0.000 2.338 391 E HA 0.097 4.446 4.350 -0.000 0.000 0.197 391 E C 1.786 178.403 176.600 0.028 0.000 1.007 391 E CA 1.675 58.083 56.400 0.013 0.000 0.849 391 E CB 0.099 29.792 29.700 -0.012 0.000 0.774 391 E HN 0.894 nan 8.360 nan 0.000 0.506 392 T N -1.804 112.790 114.554 0.067 0.000 3.631 392 T HA 0.349 4.699 4.350 -0.000 0.000 0.256 392 T C 0.082 174.909 174.700 0.212 0.000 1.187 392 T CA -0.651 61.508 62.100 0.098 0.000 1.667 392 T CB -0.732 68.183 68.868 0.078 0.000 0.804 392 T HN -0.061 nan 8.240 nan 0.000 0.639 393 L N 1.375 122.673 121.223 0.124 0.000 2.461 393 L HA 0.462 4.801 4.340 -0.000 0.000 0.259 393 L C 0.998 177.785 176.870 -0.139 0.000 1.248 393 L CA -0.618 54.254 54.840 0.054 0.000 0.823 393 L CB 0.089 42.141 42.059 -0.013 0.000 1.111 393 L HN 0.674 nan 8.230 nan 0.000 0.516 394 E N 0.147 120.074 120.200 -0.456 0.000 2.243 394 E HA 0.374 4.723 4.350 -0.000 0.000 0.260 394 E C -0.176 176.212 176.600 -0.354 0.000 0.985 394 E CA -0.980 55.112 56.400 -0.513 0.000 0.858 394 E CB 1.565 30.698 29.700 -0.946 0.000 1.210 394 E HN 0.484 nan 8.360 nan 0.000 0.411 395 I N 1.646 122.040 120.570 -0.293 0.000 3.197 395 I HA 0.017 4.187 4.170 -0.000 0.000 0.293 395 I C 0.714 176.659 176.117 -0.287 0.000 1.227 395 I CA 1.973 63.131 61.300 -0.237 0.000 1.369 395 I CB -0.797 37.090 38.000 -0.189 0.000 1.441 395 I HN 0.873 nan 8.210 nan 0.000 0.539 396 G N 5.293 113.890 108.800 -0.338 0.000 2.260 396 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.179 396 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.179 396 G C 0.402 174.843 174.900 -0.765 0.000 1.002 396 G CA -0.058 44.708 45.100 -0.557 0.000 0.677 396 G HN 0.734 nan 8.290 nan 0.000 0.486 397 N N -1.200 117.218 118.700 -0.471 0.000 2.776 397 N HA -0.166 4.573 4.740 -0.000 0.000 0.249 397 N C -0.170 175.190 175.510 -0.251 0.000 1.111 397 N CA 1.336 54.199 53.050 -0.312 0.000 0.711 397 N CB -2.069 36.276 38.487 -0.236 0.000 1.065 397 N HN 0.735 nan 8.380 nan 0.000 0.556 398 Y N -0.013 120.243 120.300 -0.073 0.000 2.308 398 Y HA 0.277 4.826 4.550 -0.000 0.000 0.329 398 Y C 1.819 177.733 175.900 0.023 0.000 1.111 398 Y CA -0.108 57.995 58.100 0.006 0.000 1.179 398 Y CB 1.063 39.558 38.460 0.057 0.000 1.201 398 Y HN 0.118 nan 8.280 nan 0.000 0.483 399 S N 1.868 117.750 115.700 0.302 0.000 2.497 399 S HA 0.125 4.595 4.470 -0.000 0.000 0.218 399 S C -0.382 174.491 174.600 0.455 0.000 1.023 399 S CA -0.020 58.370 58.200 0.317 0.000 0.913 399 S CB 0.325 63.656 63.200 0.218 0.000 0.800 399 S HN 0.463 nan 8.310 nan 0.000 0.505 400 F N 2.020 122.096 119.950 0.209 0.000 2.716 400 F HA 0.563 5.090 4.527 -0.000 0.000 0.354 400 F C -1.523 174.348 175.800 0.118 0.000 1.168 400 F CA -2.196 55.913 58.000 0.182 0.000 1.045 400 F CB 1.007 40.072 39.000 0.108 0.000 1.311 400 F HN 0.117 nan 8.300 nan 0.000 0.477 401 Y N 4.411 124.599 120.300 -0.186 0.000 2.331 401 Y HA 0.718 5.268 4.550 -0.000 0.000 0.338 401 Y C -0.823 174.912 175.900 -0.274 0.000 0.992 401 Y CA -0.776 57.195 58.100 -0.214 0.000 1.121 401 Y CB 1.434 39.804 38.460 -0.149 0.000 1.184 401 Y HN 0.670 nan 8.280 nan 0.000 0.469 402 A N 8.554 131.140 122.820 -0.390 0.000 2.569 402 A HA 0.597 4.917 4.320 -0.000 0.000 0.282 402 A C -1.834 175.751 177.584 0.002 0.000 1.165 402 A CA -0.628 51.324 52.037 -0.142 0.000 0.747 402 A CB 0.176 19.194 19.000 0.029 0.000 1.215 402 A HN 0.840 nan 8.150 nan 0.000 0.431 403 L N 0.198 121.456 121.223 0.058 0.000 2.388 403 L HA 0.793 5.133 4.340 -0.000 0.000 0.264 403 L C 0.120 177.105 176.870 0.192 0.000 0.998 403 L CA -0.421 54.526 54.840 0.178 0.000 0.817 403 L CB 1.981 44.231 42.059 0.319 0.000 1.338 403 L HN 0.622 nan 8.230 nan 0.000 0.414 404 D N 1.194 121.738 120.400 0.239 0.000 3.018 404 D HA -0.216 4.424 4.640 -0.000 0.000 0.224 404 D C -0.290 176.093 176.300 0.140 0.000 1.185 404 D CA 1.091 55.196 54.000 0.176 0.000 0.858 404 D CB -0.703 40.149 40.800 0.086 0.000 1.112 404 D HN 0.808 nan 8.370 nan 0.000 0.415 405 N N 1.588 120.363 118.700 0.126 0.000 2.671 405 N HA 0.032 4.772 4.740 -0.000 0.000 0.274 405 N C 1.256 176.811 175.510 0.075 0.000 1.188 405 N CA 0.070 53.178 53.050 0.097 0.000 1.065 405 N CB 1.065 39.597 38.487 0.074 0.000 1.415 405 N HN 0.339 nan 8.380 nan 0.000 0.511 406 Q N 1.776 121.644 119.800 0.115 0.000 1.867 406 Q HA -0.177 4.163 4.340 -0.000 0.000 0.243 406 Q C 1.016 177.016 176.000 -0.000 0.000 1.036 406 Q CA 1.835 57.698 55.803 0.100 0.000 0.889 406 Q CB -0.196 28.683 28.738 0.234 0.000 0.983 406 Q HN 0.458 nan 8.270 nan 0.000 0.418 407 N N 0.093 118.736 118.700 -0.095 0.000 2.585 407 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 407 N C -0.125 175.311 175.510 -0.124 0.000 1.102 407 N CA 0.089 53.047 53.050 -0.153 0.000 0.920 407 N CB -0.433 37.883 38.487 -0.286 0.000 0.963 407 N HN 0.209 nan 8.380 nan 0.000 0.447 408 L N 1.573 122.743 121.223 -0.088 0.000 2.698 408 L HA -0.033 4.307 4.340 -0.000 0.000 0.272 408 L C 1.419 178.221 176.870 -0.113 0.000 1.154 408 L CA 0.335 55.117 54.840 -0.095 0.000 0.964 408 L CB 0.335 42.357 42.059 -0.060 0.000 1.272 408 L HN -0.073 nan 8.230 nan 0.000 0.483 409 R N 2.227 122.642 120.500 -0.142 0.000 2.156 409 R HA 0.135 4.475 4.340 -0.000 0.000 0.207 409 R C 0.174 176.382 176.300 -0.153 0.000 1.040 409 R CA 0.455 56.469 56.100 -0.143 0.000 1.013 409 R CB 0.342 30.544 30.300 -0.163 0.000 0.931 409 R HN 0.783 nan 8.270 nan 0.000 0.465 410 Q N 0.071 119.759 119.800 -0.187 0.000 2.345 410 Q HA 0.152 4.492 4.340 -0.000 0.000 0.275 410 Q C -0.193 175.637 176.000 -0.283 0.000 1.063 410 Q CA -0.374 55.306 55.803 -0.204 0.000 0.819 410 Q CB 2.033 30.635 28.738 -0.226 0.000 1.356 410 Q HN 0.108 nan 8.270 nan 0.000 0.418 411 L N 1.228 122.317 121.223 -0.223 0.000 1.984 411 L HA 0.260 4.599 4.340 -0.000 0.000 0.207 411 L C 0.636 177.030 176.870 -0.793 0.000 1.111 411 L CA 0.832 55.496 54.840 -0.294 0.000 0.770 411 L CB 0.035 42.324 42.059 0.382 0.000 0.900 411 L HN 0.514 nan 8.230 nan 0.000 0.441 412 W N -1.120 119.578 121.300 -1.003 0.000 3.029 412 W HA 0.167 4.826 4.660 -0.000 0.000 0.339 412 W C -1.005 174.773 176.519 -1.236 0.000 1.198 412 W CA -0.850 55.802 57.345 -1.154 0.000 1.148 412 W CB 1.235 29.921 29.460 -1.290 0.000 1.451 412 W HN 0.004 nan 8.180 nan 0.000 0.564 413 D N 0.925 121.073 120.400 -0.420 0.000 2.545 413 D HA 0.076 4.716 4.640 -0.000 0.000 0.227 413 D C 0.972 177.204 176.300 -0.113 0.000 1.150 413 D CA 0.017 53.862 54.000 -0.259 0.000 1.046 413 D CB -0.213 40.529 40.800 -0.097 0.000 1.098 413 D HN 0.239 nan 8.370 nan 0.000 0.502 414 W N 1.469 122.848 121.300 0.131 0.000 2.321 414 W HA -0.286 4.374 4.660 -0.000 0.000 0.285 414 W C 2.581 179.134 176.519 0.057 0.000 1.213 414 W CA 0.711 58.114 57.345 0.097 0.000 1.205 414 W CB -0.660 28.842 29.460 0.071 0.000 1.134 414 W HN 0.367 nan 8.180 nan 0.000 0.549 415 S N -0.184 115.641 115.700 0.208 0.000 2.400 415 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 415 S C 1.359 176.019 174.600 0.099 0.000 1.025 415 S CA 1.424 59.699 58.200 0.124 0.000 0.993 415 S CB -0.245 62.997 63.200 0.070 0.000 0.808 415 S HN 0.368 nan 8.310 nan 0.000 0.478 416 K N -0.070 120.391 120.400 0.101 0.000 3.334 416 K HA 0.303 4.623 4.320 -0.000 0.000 0.249 416 K C 0.612 177.279 176.600 0.111 0.000 1.231 416 K CA -0.287 56.051 56.287 0.085 0.000 1.266 416 K CB -0.579 31.963 32.500 0.070 0.000 2.012 416 K HN 0.284 nan 8.250 nan 0.000 0.440 417 H N 1.633 120.716 119.070 0.023 0.000 3.120 417 H HA -0.084 4.472 4.556 -0.000 0.000 0.356 417 H C -0.597 174.762 175.328 0.053 0.000 1.184 417 H CA 1.273 57.322 56.048 0.002 0.000 1.371 417 H CB 0.279 30.027 29.762 -0.024 0.000 1.290 417 H HN 0.453 nan 8.280 nan 0.000 0.602 418 N N 3.196 121.672 118.700 -0.374 0.000 3.049 418 N HA 0.255 4.995 4.740 -0.000 0.000 0.244 418 N C -1.805 173.525 175.510 -0.300 0.000 1.203 418 N CA -0.372 52.624 53.050 -0.089 0.000 0.945 418 N CB 1.167 39.636 38.487 -0.030 0.000 1.616 418 N HN 0.692 nan 8.380 nan 0.000 0.505 419 L N -1.270 119.861 121.223 -0.154 0.000 2.357 419 L HA 0.883 5.223 4.340 -0.000 0.000 0.244 419 L C -1.466 175.305 176.870 -0.165 0.000 1.115 419 L CA -0.565 54.146 54.840 -0.215 0.000 0.919 419 L CB 2.022 43.896 42.059 -0.308 0.000 1.532 419 L HN 0.589 nan 8.230 nan 0.000 0.416 420 T N 1.265 115.724 114.554 -0.158 0.000 2.952 420 T HA 0.613 4.963 4.350 -0.000 0.000 0.305 420 T C -0.806 173.831 174.700 -0.104 0.000 1.064 420 T CA -0.131 61.897 62.100 -0.121 0.000 1.008 420 T CB 1.745 70.555 68.868 -0.096 0.000 1.078 420 T HN 0.410 nan 8.240 nan 0.000 0.459 421 I N 3.323 123.844 120.570 -0.082 0.000 2.442 421 I HA 0.196 4.366 4.170 -0.000 0.000 0.279 421 I C 1.962 178.064 176.117 -0.025 0.000 1.081 421 I CA -0.417 60.856 61.300 -0.046 0.000 1.197 421 I CB 0.569 38.553 38.000 -0.027 0.000 1.394 421 I HN 0.919 nan 8.210 nan 0.000 0.488 422 T N 1.919 116.457 114.554 -0.026 0.000 2.685 422 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 422 T C 0.758 175.455 174.700 -0.006 0.000 1.034 422 T CA 1.429 63.517 62.100 -0.019 0.000 1.149 422 T CB -0.152 68.703 68.868 -0.021 0.000 0.860 422 T HN 0.548 nan 8.240 nan 0.000 0.449 423 Q N -0.672 119.133 119.800 0.009 0.000 2.553 423 Q HA 0.587 4.927 4.340 -0.000 0.000 0.293 423 Q C -0.039 175.987 176.000 0.043 0.000 1.038 423 Q CA -0.754 55.060 55.803 0.019 0.000 0.777 423 Q CB 2.162 30.909 28.738 0.014 0.000 1.487 423 Q HN 0.625 nan 8.270 nan 0.000 0.426 424 G N 0.845 109.670 108.800 0.043 0.000 2.757 424 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.638 424 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.638 424 G C -1.266 173.696 174.900 0.102 0.000 1.344 424 G CA -0.280 44.861 45.100 0.069 0.000 0.855 424 G HN 0.675 nan 8.290 nan 0.000 0.537 425 K N -1.332 119.171 120.400 0.172 0.000 2.395 425 K HA 0.863 5.183 4.320 -0.000 0.000 0.245 425 K C -0.834 175.952 176.600 0.311 0.000 1.017 425 K CA -1.241 55.184 56.287 0.229 0.000 0.852 425 K CB 1.739 34.383 32.500 0.241 0.000 1.311 425 K HN 0.377 nan 8.250 nan 0.000 0.452 426 L N 1.300 122.636 121.223 0.188 0.000 2.357 426 L HA 0.495 4.835 4.340 -0.000 0.000 0.273 426 L C -0.681 176.079 176.870 -0.184 0.000 1.080 426 L CA -0.226 54.617 54.840 0.005 0.000 0.803 426 L CB 0.254 42.288 42.059 -0.041 0.000 1.174 426 L HN 0.730 nan 8.230 nan 0.000 0.443 427 F N 3.174 122.687 119.950 -0.728 0.000 2.579 427 F HA 0.608 5.135 4.527 -0.000 0.000 0.325 427 F C -1.538 173.747 175.800 -0.859 0.000 1.162 427 F CA -0.587 56.914 58.000 -0.832 0.000 0.946 427 F CB 1.032 39.318 39.000 -1.190 0.000 1.211 427 F HN 0.229 nan 8.300 nan 0.000 0.447 428 F N 5.688 125.164 119.950 -0.789 0.000 2.536 428 F HA 0.483 5.010 4.527 -0.000 0.000 0.322 428 F C -0.557 174.694 175.800 -0.916 0.000 1.144 428 F CA -0.666 56.942 58.000 -0.652 0.000 0.924 428 F CB 1.576 40.337 39.000 -0.399 0.000 1.181 428 F HN 0.396 nan 8.300 nan 0.000 0.438 429 H N 4.036 122.821 119.070 -0.474 0.000 3.149 429 H HA 0.188 4.744 4.556 -0.000 0.000 0.334 429 H C -1.255 174.036 175.328 -0.063 0.000 1.000 429 H CA -1.040 54.753 56.048 -0.425 0.000 1.415 429 H CB 1.512 30.995 29.762 -0.465 0.000 1.819 429 H HN 0.773 nan 8.280 nan 0.000 0.486 430 Y N 0.937 121.221 120.300 -0.026 0.000 3.202 430 Y HA -0.240 4.310 4.550 -0.000 0.000 0.188 430 Y C -0.426 175.470 175.900 -0.007 0.000 1.761 430 Y CA -0.043 58.060 58.100 0.004 0.000 1.315 430 Y CB -2.104 36.386 38.460 0.050 0.000 1.545 430 Y HN 0.591 nan 8.280 nan 0.000 0.463 431 N N 0.033 118.747 118.700 0.024 0.000 2.642 431 N HA 0.179 4.919 4.740 -0.000 0.000 0.308 431 N C -1.909 173.573 175.510 -0.046 0.000 1.914 431 N CA -1.283 51.762 53.050 -0.008 0.000 0.893 431 N CB 0.623 39.073 38.487 -0.061 0.000 1.322 431 N HN 0.102 nan 8.380 nan 0.000 0.490 432 P HA -0.234 nan 4.420 nan 0.000 0.220 432 P C 0.837 178.118 177.300 -0.032 0.000 1.142 432 P CA 1.300 64.389 63.100 -0.017 0.000 0.801 432 P CB 0.441 32.155 31.700 0.023 0.000 0.764 433 K N -1.220 119.154 120.400 -0.043 0.000 2.262 433 K HA 0.150 4.470 4.320 -0.000 0.000 0.200 433 K C 1.050 177.599 176.600 -0.084 0.000 1.049 433 K CA 0.130 56.381 56.287 -0.059 0.000 0.979 433 K CB -0.302 32.157 32.500 -0.068 0.000 0.773 433 K HN 0.142 nan 8.250 nan 0.000 0.474 434 L N 1.778 122.935 121.223 -0.109 0.000 2.407 434 L HA 0.053 4.393 4.340 -0.000 0.000 0.282 434 L C -0.524 176.269 176.870 -0.128 0.000 1.110 434 L CA -0.179 54.575 54.840 -0.143 0.000 0.863 434 L CB 0.112 42.034 42.059 -0.229 0.000 1.207 434 L HN 0.194 nan 8.230 nan 0.000 0.454 435 c N 4.761 123.307 118.600 -0.089 0.000 2.648 435 c HA -0.009 4.561 4.570 -0.000 0.000 0.415 435 c C 2.191 176.244 174.090 -0.061 0.000 1.366 435 c CA -0.446 55.845 56.329 -0.063 0.000 1.756 435 c CB 0.030 42.513 42.510 -0.044 0.000 2.549 435 c HN 0.800 nan 8.230 nan 0.000 0.597 436 L N 3.438 124.633 121.223 -0.046 0.000 2.211 436 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 436 L C 2.512 179.475 176.870 0.155 0.000 1.092 436 L CA 1.760 56.604 54.840 0.008 0.000 0.767 436 L CB -0.274 41.848 42.059 0.104 0.000 0.894 436 L HN 0.879 nan 8.230 nan 0.000 0.437 437 S N -0.579 115.173 115.700 0.087 0.000 2.368 437 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 437 S C 1.792 176.445 174.600 0.089 0.000 1.044 437 S CA 1.485 59.730 58.200 0.074 0.000 1.062 437 S CB -0.363 62.835 63.200 -0.004 0.000 0.931 437 S HN 0.434 nan 8.310 nan 0.000 0.440 438 E N 0.935 121.183 120.200 0.081 0.000 2.265 438 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 438 E C 1.951 178.636 176.600 0.142 0.000 0.996 438 E CA 0.421 56.945 56.400 0.205 0.000 0.832 438 E CB -0.363 29.462 29.700 0.208 0.000 0.756 438 E HN 0.542 nan 8.360 nan 0.000 0.491 439 I N 0.578 121.114 120.570 -0.056 0.000 2.162 439 I HA -0.230 3.939 4.170 -0.000 0.000 0.238 439 I C 2.169 178.181 176.117 -0.174 0.000 1.076 439 I CA 0.938 62.121 61.300 -0.196 0.000 1.353 439 I CB -0.496 37.243 38.000 -0.436 0.000 1.063 439 I HN 0.187 nan 8.210 nan 0.000 0.408 440 H N 0.711 119.738 119.070 -0.072 0.000 2.518 440 H HA -0.134 4.421 4.556 -0.000 0.000 0.292 440 H C 1.998 177.232 175.328 -0.157 0.000 1.068 440 H CA 0.868 56.865 56.048 -0.085 0.000 1.275 440 H CB 0.001 29.717 29.762 -0.076 0.000 1.375 440 H HN 0.163 nan 8.280 nan 0.000 0.563 441 K N 1.059 121.376 120.400 -0.138 0.000 1.991 441 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 441 K C 2.299 178.468 176.600 -0.718 0.000 1.045 441 K CA 0.699 56.758 56.287 -0.380 0.000 0.937 441 K CB -0.578 31.666 32.500 -0.428 0.000 0.720 441 K HN 0.215 nan 8.250 nan 0.000 0.438 442 M N 0.879 119.889 119.600 -0.984 0.000 2.082 442 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 442 M C 1.925 177.968 176.300 -0.429 0.000 1.071 442 M CA 1.826 56.530 55.300 -0.994 0.000 1.103 442 M CB -0.350 31.988 32.600 -0.437 0.000 1.307 442 M HN 0.227 nan 8.290 nan 0.000 0.409 443 E N -0.264 119.813 120.200 -0.206 0.000 2.312 443 E HA -0.330 4.020 4.350 -0.000 0.000 0.209 443 E C 1.580 178.113 176.600 -0.112 0.000 1.047 443 E CA 2.205 58.549 56.400 -0.093 0.000 0.840 443 E CB 0.006 29.677 29.700 -0.049 0.000 0.738 443 E HN 0.642 nan 8.360 nan 0.000 0.478 444 E N -0.903 119.193 120.200 -0.173 0.000 2.110 444 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 444 E C 1.978 178.474 176.600 -0.174 0.000 0.944 444 E CA 0.579 56.895 56.400 -0.140 0.000 0.899 444 E CB -0.102 29.528 29.700 -0.116 0.000 0.907 444 E HN 0.091 nan 8.360 nan 0.000 0.473 445 V N 1.332 121.096 119.914 -0.250 0.000 2.546 445 V HA -0.254 3.865 4.120 -0.000 0.000 0.254 445 V C 2.253 178.219 176.094 -0.213 0.000 1.076 445 V CA 2.759 64.930 62.300 -0.216 0.000 1.087 445 V CB -0.634 31.052 31.823 -0.229 0.000 0.674 445 V HN 0.542 nan 8.190 nan 0.000 0.470 446 S N 0.300 115.829 115.700 -0.286 0.000 2.348 446 S HA 0.098 4.567 4.470 -0.000 0.000 0.221 446 S C 1.597 176.115 174.600 -0.137 0.000 1.033 446 S CA 1.526 59.594 58.200 -0.219 0.000 1.010 446 S CB -0.453 62.620 63.200 -0.212 0.000 0.891 446 S HN 2.071 nan 8.310 nan 0.000 0.442 447 G N -0.348 108.384 108.800 -0.114 0.000 2.441 447 G HA2 0.062 4.022 3.960 -0.000 0.000 0.139 447 G HA3 0.062 4.022 3.960 -0.000 0.000 0.139 447 G C 0.026 174.896 174.900 -0.050 0.000 1.067 447 G CA 0.115 45.170 45.100 -0.075 0.000 0.766 447 G HN 0.619 nan 8.290 nan 0.000 0.484 448 T N -0.491 114.035 114.554 -0.047 0.000 2.233 448 T HA 0.615 4.964 4.350 -0.000 0.000 0.172 448 T C 0.479 175.174 174.700 -0.010 0.000 0.740 448 T CA 0.515 62.606 62.100 -0.016 0.000 1.172 448 T CB 0.305 69.175 68.868 0.002 0.000 2.941 448 T HN 1.483 nan 8.240 nan 0.000 0.398 449 K N 0.738 121.138 120.400 -0.000 0.000 6.744 449 K HA -0.023 4.296 4.320 -0.000 0.000 0.720 449 K C 0.570 177.178 176.600 0.015 0.000 2.325 449 K CA 1.212 57.505 56.287 0.009 0.000 1.691 449 K CB -1.380 31.118 32.500 -0.004 0.000 1.863 449 K HN 1.195 nan 8.250 nan 0.000 0.302 450 G N 3.312 112.127 108.800 0.026 0.000 2.179 450 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.260 450 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.260 450 G C 0.695 175.613 174.900 0.029 0.000 0.977 450 G CA 0.634 45.749 45.100 0.025 0.000 0.641 450 G HN 0.696 nan 8.290 nan 0.000 0.533 451 R N -0.348 120.173 120.500 0.036 0.000 2.317 451 R HA 0.317 4.656 4.340 -0.000 0.000 0.208 451 R C 1.048 177.390 176.300 0.069 0.000 0.914 451 R CA 0.480 56.606 56.100 0.043 0.000 1.060 451 R CB 0.145 30.470 30.300 0.042 0.000 1.015 451 R HN 0.502 nan 8.270 nan 0.000 0.498 452 Q N -0.895 118.950 119.800 0.075 0.000 2.240 452 Q HA 0.304 4.644 4.340 -0.000 0.000 0.260 452 Q C -0.394 175.659 176.000 0.088 0.000 1.018 452 Q CA -0.315 55.552 55.803 0.106 0.000 0.898 452 Q CB 1.827 30.625 28.738 0.099 0.000 1.301 452 Q HN -0.018 nan 8.270 nan 0.000 0.469 453 E N -0.620 119.646 120.200 0.110 0.000 4.087 453 E HA 0.397 4.746 4.350 -0.000 0.000 0.195 453 E C 0.264 176.915 176.600 0.085 0.000 0.963 453 E CA -0.791 55.660 56.400 0.085 0.000 1.167 453 E CB 0.413 30.161 29.700 0.080 0.000 1.838 453 E HN 0.369 nan 8.360 nan 0.000 0.390 454 R N 0.959 121.511 120.500 0.086 0.000 1.629 454 R HA -0.213 4.127 4.340 -0.000 0.000 0.100 454 R C 1.860 178.211 176.300 0.085 0.000 0.484 454 R CA 2.415 58.563 56.100 0.079 0.000 1.847 454 R CB -0.554 29.797 30.300 0.084 0.000 0.468 454 R HN 0.462 nan 8.270 nan 0.000 0.733 455 N N -0.228 118.537 118.700 0.109 0.000 2.063 455 N HA -0.136 4.603 4.740 -0.000 0.000 0.192 455 N C 0.512 176.089 175.510 0.112 0.000 1.071 455 N CA 1.557 54.672 53.050 0.108 0.000 0.858 455 N CB -0.608 37.984 38.487 0.175 0.000 1.050 455 N HN 0.463 nan 8.380 nan 0.000 0.434 456 D N -0.948 119.590 120.400 0.229 0.000 4.192 456 D HA -0.200 4.440 4.640 -0.000 0.000 0.230 456 D C -0.261 175.977 176.300 -0.104 0.000 1.345 456 D CA 1.772 55.883 54.000 0.185 0.000 2.318 456 D CB -0.939 39.995 40.800 0.224 0.000 1.238 456 D HN 0.316 nan 8.370 nan 0.000 0.417 457 I N 1.682 122.166 120.570 -0.144 0.000 2.337 457 I HA 0.489 4.659 4.170 -0.000 0.000 0.285 457 I C 0.345 176.219 176.117 -0.406 0.000 1.041 457 I CA -1.136 60.001 61.300 -0.272 0.000 1.199 457 I CB 0.342 38.272 38.000 -0.116 0.000 1.370 457 I HN 0.153 nan 8.210 nan 0.000 0.470 458 A N 7.321 129.637 122.820 -0.840 0.000 2.491 458 A HA 0.327 4.647 4.320 -0.000 0.000 0.261 458 A C 1.266 178.616 177.584 -0.391 0.000 1.101 458 A CA -0.150 51.447 52.037 -0.733 0.000 0.772 458 A CB 0.224 18.546 19.000 -1.130 0.000 1.043 458 A HN 0.675 nan 8.150 nan 0.000 0.501 459 L N 1.920 123.001 121.223 -0.237 0.000 2.253 459 L HA 0.170 4.510 4.340 -0.000 0.000 0.205 459 L C 1.602 178.393 176.870 -0.132 0.000 1.078 459 L CA 1.275 56.031 54.840 -0.140 0.000 0.805 459 L CB -1.565 40.451 42.059 -0.073 0.000 0.963 459 L HN 0.729 nan 8.230 nan 0.000 0.459 460 K N 1.153 121.472 120.400 -0.136 0.000 2.504 460 K HA -0.001 4.318 4.320 -0.000 0.000 0.195 460 K C 0.048 176.568 176.600 -0.132 0.000 1.036 460 K CA 0.998 57.224 56.287 -0.103 0.000 0.984 460 K CB 0.089 32.545 32.500 -0.074 0.000 0.788 460 K HN 0.540 nan 8.250 nan 0.000 0.488 461 T N -1.542 112.880 114.554 -0.220 0.000 3.658 461 T HA 0.344 4.694 4.350 -0.000 0.000 0.245 461 T C -0.791 173.762 174.700 -0.245 0.000 1.292 461 T CA -1.001 60.946 62.100 -0.254 0.000 1.598 461 T CB 0.083 68.642 68.868 -0.514 0.000 0.861 461 T HN -0.151 nan 8.240 nan 0.000 0.663 462 N N 0.225 118.825 118.700 -0.167 0.000 2.666 462 N HA 0.468 5.208 4.740 -0.000 0.000 0.260 462 N C 0.878 176.320 175.510 -0.112 0.000 1.077 462 N CA 0.358 53.309 53.050 -0.165 0.000 1.026 462 N CB 1.636 39.987 38.487 -0.227 0.000 1.653 462 N HN 0.601 nan 8.380 nan 0.000 0.533 463 G N 1.516 110.259 108.800 -0.095 0.000 2.249 463 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.269 463 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.269 463 G C 0.747 175.628 174.900 -0.032 0.000 0.979 463 G CA 1.166 46.228 45.100 -0.064 0.000 0.644 463 G HN 0.841 nan 8.290 nan 0.000 0.546 464 D N -0.185 120.195 120.400 -0.033 0.000 2.417 464 D HA -0.128 4.512 4.640 -0.000 0.000 0.225 464 D C 1.373 177.682 176.300 0.014 0.000 0.983 464 D CA 1.269 55.264 54.000 -0.008 0.000 0.949 464 D CB -0.022 40.768 40.800 -0.017 0.000 0.879 464 D HN 0.531 nan 8.370 nan 0.000 0.520 465 Q N -0.410 119.396 119.800 0.010 0.000 2.093 465 Q HA 0.391 4.731 4.340 -0.000 0.000 0.217 465 Q C -0.194 175.818 176.000 0.019 0.000 0.785 465 Q CA -0.181 55.636 55.803 0.023 0.000 1.038 465 Q CB 1.898 30.652 28.738 0.026 0.000 1.190 465 Q HN 0.305 nan 8.270 nan 0.000 0.468 466 A N 0.787 123.613 122.820 0.010 0.000 2.374 466 A HA 0.649 4.968 4.320 -0.000 0.000 0.317 466 A C -0.526 177.068 177.584 0.017 0.000 1.094 466 A CA -0.483 51.556 52.037 0.004 0.000 0.765 466 A CB 1.811 20.796 19.000 -0.025 0.000 1.268 466 A HN 0.011 nan 8.150 nan 0.000 0.438 467 S N -0.158 115.555 115.700 0.022 0.000 2.525 467 S HA 0.641 5.111 4.470 -0.000 0.000 0.278 467 S C 0.342 174.944 174.600 0.005 0.000 1.234 467 S CA 0.104 58.323 58.200 0.032 0.000 1.058 467 S CB -0.127 63.105 63.200 0.053 0.000 0.983 467 S HN 1.622 nan 8.310 nan 0.000 0.495 468 c N 2.575 121.181 118.600 0.010 0.000 4.089 468 c HA 0.603 5.172 4.570 -0.000 0.000 0.209 468 c C 0.870 174.949 174.090 -0.018 0.000 4.523 468 c CA -0.009 56.308 56.329 -0.020 0.000 1.474 468 c CB -0.948 41.539 42.510 -0.038 0.000 4.587 468 c HN 0.787 nan 8.230 nan 0.000 0.460 469 E N 1.663 121.823 120.200 -0.067 0.000 3.112 469 E HA -0.239 4.111 4.350 -0.000 0.000 0.272 469 E C 0.140 176.677 176.600 -0.105 0.000 1.042 469 E CA 1.301 57.607 56.400 -0.157 0.000 0.802 469 E CB -1.235 28.370 29.700 -0.158 0.000 1.404 469 E HN 0.635 nan 8.360 nan 0.000 0.460 470 N N 0.225 118.911 118.700 -0.024 0.000 4.931 470 N HA -0.215 4.525 4.740 -0.000 0.000 0.352 470 N C -0.927 174.646 175.510 0.104 0.000 1.387 470 N CA 1.863 54.928 53.050 0.025 0.000 2.854 470 N CB 0.101 38.602 38.487 0.025 0.000 0.453 470 N HN 0.281 nan 8.380 nan 0.000 0.814 471 E N 0.938 121.164 120.200 0.043 0.000 2.388 471 E HA -0.010 4.340 4.350 -0.000 0.000 0.206 471 E C -0.912 175.660 176.600 -0.047 0.000 1.197 471 E CA -0.247 56.148 56.400 -0.009 0.000 0.464 471 E CB -0.594 29.116 29.700 0.017 0.000 0.890 471 E HN 0.530 nan 8.360 nan 0.000 0.426 472 L N 3.324 124.512 121.223 -0.059 0.000 2.615 472 L HA 0.094 4.434 4.340 -0.000 0.000 0.271 472 L C 0.013 176.842 176.870 -0.069 0.000 1.183 472 L CA 0.673 55.476 54.840 -0.061 0.000 0.933 472 L CB 0.221 42.250 42.059 -0.049 0.000 1.199 472 L HN 0.358 nan 8.230 nan 0.000 0.487 473 L N 6.613 127.787 121.223 -0.082 0.000 2.264 473 L HA 0.331 4.671 4.340 -0.000 0.000 0.289 473 L C 0.037 176.823 176.870 -0.141 0.000 1.044 473 L CA -0.462 54.324 54.840 -0.090 0.000 0.807 473 L CB 1.317 43.285 42.059 -0.150 0.000 1.192 473 L HN 0.656 nan 8.230 nan 0.000 0.425 474 K N 3.403 123.769 120.400 -0.056 0.000 2.106 474 K HA 0.429 4.749 4.320 -0.000 0.000 0.246 474 K C -0.968 175.616 176.600 -0.026 0.000 0.987 474 K CA -0.537 55.736 56.287 -0.023 0.000 0.904 474 K CB 1.394 33.926 32.500 0.055 0.000 1.071 474 K HN 0.240 nan 8.250 nan 0.000 0.453 475 F N 0.822 120.872 119.950 0.167 0.000 2.411 475 F HA 0.038 4.564 4.527 -0.000 0.000 0.355 475 F C 1.662 177.504 175.800 0.070 0.000 1.117 475 F CA 0.017 58.134 58.000 0.194 0.000 1.139 475 F CB 1.625 40.735 39.000 0.183 0.000 1.120 475 F HN 0.608 nan 8.300 nan 0.000 0.493 476 S N 4.467 120.251 115.700 0.138 0.000 2.428 476 S HA -0.094 4.376 4.470 -0.000 0.000 0.230 476 S C -0.396 174.254 174.600 0.083 0.000 1.014 476 S CA 0.814 58.930 58.200 -0.141 0.000 0.957 476 S CB -0.081 62.563 63.200 -0.927 0.000 0.784 476 S HN 0.602 nan 8.310 nan 0.000 0.499 477 Y N 0.674 120.984 120.300 0.016 0.000 2.522 477 Y HA 0.453 5.002 4.550 -0.000 0.000 0.326 477 Y C -2.095 173.804 175.900 -0.002 0.000 1.198 477 Y CA -1.730 56.369 58.100 -0.002 0.000 1.112 477 Y CB 0.972 39.405 38.460 -0.045 0.000 1.342 477 Y HN 0.150 nan 8.280 nan 0.000 0.460 478 I N 4.268 124.491 120.570 -0.578 0.000 2.497 478 I HA 0.600 4.770 4.170 -0.000 0.000 0.284 478 I C -1.200 174.526 176.117 -0.652 0.000 1.060 478 I CA -1.008 60.011 61.300 -0.469 0.000 1.071 478 I CB 1.243 39.052 38.000 -0.318 0.000 1.216 478 I HN 0.804 nan 8.210 nan 0.000 0.442 479 R N 3.963 124.210 120.500 -0.422 0.000 2.540 479 R HA 0.828 5.168 4.340 -0.000 0.000 0.287 479 R C -1.004 175.203 176.300 -0.156 0.000 0.980 479 R CA -0.205 55.751 56.100 -0.240 0.000 0.966 479 R CB 1.686 32.020 30.300 0.057 0.000 1.106 479 R HN 0.817 nan 8.270 nan 0.000 0.480 480 T N 1.456 115.935 114.554 -0.125 0.000 2.886 480 T HA 0.506 4.856 4.350 -0.000 0.000 0.292 480 T C -0.843 173.813 174.700 -0.073 0.000 1.012 480 T CA -0.391 61.639 62.100 -0.117 0.000 0.982 480 T CB 1.600 70.398 68.868 -0.116 0.000 1.018 480 T HN 0.712 nan 8.240 nan 0.000 0.451 481 S N 1.664 117.308 115.700 -0.093 0.000 3.206 481 S HA 0.559 5.029 4.470 -0.000 0.000 0.261 481 S C 0.144 174.750 174.600 0.009 0.000 1.020 481 S CA -0.504 57.660 58.200 -0.059 0.000 1.078 481 S CB 0.344 63.445 63.200 -0.166 0.000 1.301 481 S HN 0.810 nan 8.310 nan 0.000 0.677 482 F N 1.113 121.041 119.950 -0.037 0.000 2.706 482 F HA 0.483 5.010 4.527 -0.000 0.000 0.308 482 F C 0.685 176.470 175.800 -0.026 0.000 1.095 482 F CA 0.160 58.155 58.000 -0.007 0.000 1.244 482 F CB 0.205 39.216 39.000 0.019 0.000 1.063 482 F HN 0.507 nan 8.300 nan 0.000 0.582 483 D N 0.249 120.315 120.400 -0.557 0.000 2.497 483 D HA 0.112 4.752 4.640 -0.000 0.000 0.256 483 D C -0.180 175.885 176.300 -0.392 0.000 1.273 483 D CA -0.044 53.689 54.000 -0.446 0.000 0.812 483 D CB 0.390 40.812 40.800 -0.629 0.000 1.190 483 D HN 0.486 nan 8.370 nan 0.000 0.524 484 K N 0.751 120.922 120.400 -0.383 0.000 2.575 484 K HA 0.555 4.875 4.320 -0.000 0.000 0.279 484 K C -1.298 175.117 176.600 -0.309 0.000 0.969 484 K CA -0.989 55.081 56.287 -0.361 0.000 0.868 484 K CB 2.492 34.786 32.500 -0.343 0.000 1.457 484 K HN 0.074 nan 8.250 nan 0.000 0.426 485 I N 0.228 120.612 120.570 -0.311 0.000 2.607 485 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 485 I C -1.797 174.188 176.117 -0.220 0.000 1.129 485 I CA -0.985 60.167 61.300 -0.246 0.000 1.042 485 I CB 1.989 39.836 38.000 -0.256 0.000 1.242 485 I HN 0.809 nan 8.210 nan 0.000 0.421 486 L N 7.922 129.061 121.223 -0.141 0.000 2.343 486 L HA 0.773 5.113 4.340 -0.000 0.000 0.275 486 L C -1.185 175.696 176.870 0.020 0.000 1.056 486 L CA -0.701 54.096 54.840 -0.072 0.000 0.804 486 L CB 1.619 43.679 42.059 0.001 0.000 1.203 486 L HN 0.807 nan 8.230 nan 0.000 0.440 487 L N 1.794 123.071 121.223 0.091 0.000 2.556 487 L HA 0.672 5.011 4.340 -0.000 0.000 0.257 487 L C -1.508 175.512 176.870 0.250 0.000 0.955 487 L CA -1.022 53.922 54.840 0.174 0.000 0.850 487 L CB 1.960 44.019 42.059 0.000 0.000 1.398 487 L HN 0.537 nan 8.230 nan 0.000 0.412 488 R N 1.834 122.495 120.500 0.269 0.000 2.854 488 R HA 0.706 5.046 4.340 -0.000 0.000 0.271 488 R C -1.652 174.790 176.300 0.236 0.000 0.996 488 R CA -0.402 55.701 56.100 0.004 0.000 0.961 488 R CB 2.422 32.672 30.300 -0.084 0.000 1.182 488 R HN 0.940 nan 8.270 nan 0.000 0.479 489 W N 0.064 121.483 121.300 0.198 0.000 3.248 489 W HA 0.384 5.044 4.660 -0.000 0.000 0.311 489 W C -0.482 176.136 176.519 0.164 0.000 1.258 489 W CA -0.794 56.580 57.345 0.049 0.000 1.191 489 W CB 0.143 29.460 29.460 -0.240 0.000 1.389 489 W HN 0.441 nan 8.180 nan 0.000 0.561 490 E N 1.328 121.802 120.200 0.456 0.000 2.651 490 E HA -0.038 4.312 4.350 -0.000 0.000 0.272 490 E C -2.057 174.760 176.600 0.361 0.000 1.382 490 E CA 0.380 57.048 56.400 0.448 0.000 1.231 490 E CB -0.039 29.825 29.700 0.272 0.000 0.989 490 E HN -0.004 nan 8.360 nan 0.000 0.504 491 P HA 0.119 nan 4.420 nan 0.000 0.290 491 P C -0.628 176.696 177.300 0.040 0.000 1.302 491 P CA -0.391 62.665 63.100 -0.073 0.000 0.893 491 P CB 0.441 31.877 31.700 -0.439 0.000 1.272 492 Y N -1.528 118.938 120.300 0.277 0.000 1.865 492 Y HA -0.199 4.351 4.550 -0.000 0.000 0.154 492 Y C 1.794 177.926 175.900 0.386 0.000 0.806 492 Y CA 1.063 59.326 58.100 0.272 0.000 0.735 492 Y CB -0.804 37.788 38.460 0.221 0.000 0.788 492 Y HN 0.419 nan 8.280 nan 0.000 0.662 493 W N -1.214 120.450 121.300 0.606 0.000 1.401 493 W HA -0.089 4.571 4.660 -0.001 0.000 0.139 493 W C -2.108 174.523 176.519 0.187 0.000 0.615 493 W CA 0.267 57.800 57.345 0.313 0.000 0.647 493 W CB -1.191 28.361 29.460 0.155 0.000 0.545 493 W HN 0.312 nan 8.180 nan 0.000 0.518 494 P HA 0.205 nan 4.420 nan 0.000 0.272 494 P C -1.733 175.488 177.300 -0.133 0.000 1.240 494 P CA -0.220 62.902 63.100 0.037 0.000 0.791 494 P CB -0.099 31.593 31.700 -0.013 0.000 0.978 495 P HA -0.196 nan 4.420 nan 0.000 0.230 495 P C -0.213 176.981 177.300 -0.177 0.000 0.853 495 P CA 1.584 64.616 63.100 -0.113 0.000 1.096 495 P CB -0.276 31.397 31.700 -0.045 0.000 0.677 496 D N -2.428 117.905 120.400 -0.111 0.000 2.473 496 D HA 0.435 5.074 4.640 -0.000 0.000 0.253 496 D C -0.580 175.749 176.300 0.049 0.000 1.233 496 D CA -0.386 53.556 54.000 -0.096 0.000 0.908 496 D CB 0.555 41.319 40.800 -0.060 0.000 1.170 496 D HN -0.063 nan 8.370 nan 0.000 0.558 497 F N 1.586 121.399 119.950 -0.228 0.000 2.861 497 F HA 0.537 5.064 4.527 -0.000 0.000 0.222 497 F C 1.225 176.976 175.800 -0.082 0.000 1.320 497 F CA -0.718 57.196 58.000 -0.145 0.000 0.960 497 F CB 1.012 39.929 39.000 -0.138 0.000 2.058 497 F HN 0.109 nan 8.300 nan 0.000 0.528 498 R N 0.415 120.634 120.500 -0.468 0.000 2.581 498 R HA 0.007 4.346 4.340 -0.000 0.000 0.038 498 R C -2.288 173.726 176.300 -0.477 0.000 0.499 498 R CA 0.131 56.001 56.100 -0.383 0.000 0.744 498 R CB -0.670 29.426 30.300 -0.339 0.000 0.829 498 R HN 0.589 nan 8.270 nan 0.000 0.593 499 D N 0.977 121.027 120.400 -0.583 0.000 2.602 499 D HA 0.431 5.071 4.640 -0.000 0.000 0.245 499 D C -0.752 175.580 176.300 0.054 0.000 1.325 499 D CA -0.258 53.548 54.000 -0.324 0.000 0.952 499 D CB 2.059 42.528 40.800 -0.551 0.000 1.317 499 D HN -0.011 nan 8.370 nan 0.000 0.577 500 L N 1.359 122.612 121.223 0.050 0.000 2.409 500 L HA 0.722 5.062 4.340 -0.000 0.000 0.262 500 L C -1.610 175.238 176.870 -0.037 0.000 0.992 500 L CA -1.112 53.778 54.840 0.084 0.000 0.817 500 L CB 2.158 44.388 42.059 0.286 0.000 1.350 500 L HN 0.466 nan 8.230 nan 0.000 0.411 501 L N 0.508 121.655 121.223 -0.127 0.000 2.526 501 L HA 0.976 5.316 4.340 -0.000 0.000 0.263 501 L C -0.508 176.109 176.870 -0.422 0.000 0.943 501 L CA -0.188 54.488 54.840 -0.273 0.000 0.859 501 L CB 1.514 43.392 42.059 -0.300 0.000 1.313 501 L HN 0.455 nan 8.230 nan 0.000 0.406 502 G N 1.104 109.606 108.800 -0.497 0.000 2.705 502 G HA2 0.854 4.813 3.960 -0.000 0.000 0.299 502 G HA3 0.854 4.813 3.960 -0.000 0.000 0.299 502 G C -1.501 172.854 174.900 -0.909 0.000 1.315 502 G CA -0.820 44.002 45.100 -0.464 0.000 1.045 502 G HN 0.522 nan 8.290 nan 0.000 0.517 503 F N -0.520 119.167 119.950 -0.439 0.000 2.588 503 F HA 0.456 4.982 4.527 -0.000 0.000 0.318 503 F C 0.231 175.945 175.800 -0.144 0.000 1.155 503 F CA -0.812 56.962 58.000 -0.378 0.000 0.967 503 F CB 2.181 40.729 39.000 -0.753 0.000 1.236 503 F HN 0.270 nan 8.300 nan 0.000 0.455 504 M N 3.443 123.129 119.600 0.144 0.000 2.753 504 M HA 0.896 5.376 4.480 -0.000 0.000 0.299 504 M C -1.192 175.273 176.300 0.275 0.000 1.219 504 M CA -0.955 54.466 55.300 0.201 0.000 0.900 504 M CB 1.946 34.645 32.600 0.166 0.000 1.628 504 M HN 0.581 nan 8.290 nan 0.000 0.502 505 L N -0.321 121.123 121.223 0.368 0.000 2.948 505 L HA 0.605 4.945 4.340 -0.000 0.000 0.315 505 L C -2.007 175.110 176.870 0.413 0.000 0.800 505 L CA -0.533 54.547 54.840 0.400 0.000 1.109 505 L CB 1.024 43.224 42.059 0.234 0.000 1.717 505 L HN 0.941 nan 8.230 nan 0.000 0.349 506 F N -2.344 117.466 119.950 -0.234 0.000 2.926 506 F HA 0.692 5.219 4.527 -0.000 0.000 0.321 506 F C -1.420 174.235 175.800 -0.243 0.000 1.168 506 F CA -1.398 56.319 58.000 -0.471 0.000 0.890 506 F CB 0.713 39.006 39.000 -1.179 0.000 1.357 506 F HN 0.541 nan 8.300 nan 0.000 0.468 507 Y N 0.253 120.556 120.300 0.004 0.000 2.525 507 Y HA -0.149 4.401 4.550 -0.000 0.000 0.028 507 Y C 0.235 176.105 175.900 -0.051 0.000 1.718 507 Y CA 0.099 58.169 58.100 -0.050 0.000 1.406 507 Y CB -0.720 37.691 38.460 -0.083 0.000 2.052 507 Y HN 0.882 nan 8.280 nan 0.000 0.257 508 K N 0.486 120.995 120.400 0.181 0.000 5.778 508 K HA -0.246 4.073 4.320 -0.000 0.000 0.585 508 K C -0.256 176.387 176.600 0.071 0.000 1.547 508 K CA 0.942 57.278 56.287 0.082 0.000 1.421 508 K CB -0.030 32.485 32.500 0.024 0.000 1.834 508 K HN 0.563 nan 8.250 nan 0.000 0.313 509 E N 1.383 121.629 120.200 0.077 0.000 2.606 509 E HA 0.222 4.572 4.350 -0.000 0.000 0.248 509 E C -0.353 176.281 176.600 0.057 0.000 1.005 509 E CA 1.291 57.736 56.400 0.076 0.000 0.946 509 E CB 0.471 30.220 29.700 0.082 0.000 0.928 509 E HN 0.530 nan 8.360 nan 0.000 0.494 510 A N 4.868 127.725 122.820 0.062 0.000 2.583 510 A HA 0.455 4.774 4.320 -0.000 0.000 0.300 510 A C -2.864 174.760 177.584 0.067 0.000 0.966 510 A CA -1.168 50.902 52.037 0.055 0.000 0.673 510 A CB 1.122 20.154 19.000 0.052 0.000 1.297 510 A HN 0.455 nan 8.150 nan 0.000 0.418 511 P HA 0.341 nan 4.420 nan 0.000 0.300 511 P C -0.483 176.876 177.300 0.098 0.000 1.495 511 P CA -0.278 62.864 63.100 0.070 0.000 1.139 511 P CB 1.067 32.772 31.700 0.007 0.000 1.029 512 Y N 3.001 123.288 120.300 -0.021 0.000 2.738 512 Y HA -0.203 4.347 4.550 -0.000 0.000 0.293 512 Y C 1.937 177.800 175.900 -0.062 0.000 1.156 512 Y CA 1.441 59.519 58.100 -0.037 0.000 1.410 512 Y CB -0.371 38.073 38.460 -0.028 0.000 0.966 512 Y HN 0.337 nan 8.280 nan 0.000 0.568 513 Q N -0.058 119.672 119.800 -0.116 0.000 2.135 513 Q HA -0.198 4.141 4.340 -0.000 0.000 0.204 513 Q C 1.405 177.262 176.000 -0.238 0.000 0.981 513 Q CA 1.716 57.377 55.803 -0.238 0.000 0.856 513 Q CB -0.021 28.572 28.738 -0.242 0.000 0.902 513 Q HN 0.690 nan 8.270 nan 0.000 0.425 514 N N -1.223 117.399 118.700 -0.130 0.000 2.622 514 N HA 0.091 4.831 4.740 -0.000 0.000 0.213 514 N C 0.277 175.791 175.510 0.007 0.000 1.037 514 N CA 0.300 53.295 53.050 -0.092 0.000 0.999 514 N CB 1.207 39.656 38.487 -0.064 0.000 1.342 514 N HN -0.069 nan 8.380 nan 0.000 0.465 515 V N -0.396 119.586 119.914 0.114 0.000 3.234 515 V HA 0.300 4.420 4.120 -0.000 0.000 0.280 515 V C -1.175 175.010 176.094 0.151 0.000 1.580 515 V CA -0.400 62.027 62.300 0.213 0.000 1.032 515 V CB 1.961 33.845 31.823 0.101 0.000 1.203 515 V HN 0.345 nan 8.190 nan 0.000 0.459 516 T N 1.752 116.352 114.554 0.077 0.000 2.565 516 T HA 0.735 5.085 4.350 -0.000 0.000 0.266 516 T C -2.067 172.635 174.700 0.002 0.000 0.905 516 T CA 0.304 62.415 62.100 0.018 0.000 1.122 516 T CB 1.799 70.648 68.868 -0.031 0.000 1.437 516 T HN 1.200 nan 8.240 nan 0.000 0.506 517 E N 1.221 121.443 120.200 0.036 0.000 2.522 517 E HA 0.407 4.757 4.350 -0.000 0.000 0.315 517 E C -1.581 175.219 176.600 0.333 0.000 0.917 517 E CA -0.427 56.062 56.400 0.148 0.000 0.796 517 E CB 0.182 30.030 29.700 0.245 0.000 1.323 517 E HN 0.619 nan 8.360 nan 0.000 0.397 518 F N 0.784 120.678 119.950 -0.093 0.000 2.183 518 F HA -0.018 4.509 4.527 -0.000 0.000 0.319 518 F C 0.223 175.960 175.800 -0.105 0.000 1.286 518 F CA 1.633 59.582 58.000 -0.086 0.000 0.916 518 F CB -0.601 38.361 39.000 -0.065 0.000 4.130 518 F HN 0.912 nan 8.300 nan 0.000 0.145 519 D N -0.489 119.945 120.400 0.056 0.000 2.930 519 D HA 0.455 5.094 4.640 -0.000 0.000 0.337 519 D C -0.773 175.512 176.300 -0.025 0.000 1.392 519 D CA 0.249 54.239 54.000 -0.017 0.000 0.760 519 D CB 0.460 41.213 40.800 -0.077 0.000 1.343 519 D HN 0.885 nan 8.370 nan 0.000 0.460 520 G N 0.843 109.619 108.800 -0.040 0.000 2.322 520 G HA2 0.448 4.408 3.960 -0.000 0.000 0.309 520 G HA3 0.448 4.408 3.960 -0.000 0.000 0.309 520 G C 0.179 175.050 174.900 -0.048 0.000 1.121 520 G CA -0.160 44.921 45.100 -0.032 0.000 0.886 520 G HN 0.241 nan 8.290 nan 0.000 0.447 521 Q N 0.866 120.636 119.800 -0.050 0.000 1.596 521 Q HA 0.115 4.455 4.340 -0.000 0.000 0.516 521 Q C 0.250 176.220 176.000 -0.050 0.000 0.916 521 Q CA 1.051 56.820 55.803 -0.057 0.000 0.888 521 Q CB 0.445 29.147 28.738 -0.061 0.000 1.242 521 Q HN 0.654 nan 8.270 nan 0.000 0.383 522 D N -2.706 117.666 120.400 -0.047 0.000 2.021 522 D HA 0.192 4.832 4.640 -0.000 0.000 0.046 522 D C -1.120 175.154 176.300 -0.042 0.000 1.437 522 D CA 1.237 55.209 54.000 -0.047 0.000 0.883 522 D CB -0.494 40.279 40.800 -0.045 0.000 3.054 522 D HN 0.541 nan 8.370 nan 0.000 0.194 523 A N -0.623 122.174 122.820 -0.038 0.000 6.861 523 A HA -0.099 4.220 4.320 -0.000 0.000 0.278 523 A C 0.516 178.082 177.584 -0.030 0.000 2.084 523 A CA 0.668 52.686 52.037 -0.032 0.000 0.701 523 A CB -2.145 16.837 19.000 -0.029 0.000 1.283 523 A HN 1.361 nan 8.150 nan 0.000 0.398 524 C N 0.068 119.354 119.300 -0.023 0.000 2.264 524 C HA 0.920 5.380 4.460 -0.000 0.000 0.324 524 C C 0.704 175.685 174.990 -0.014 0.000 1.267 524 C CA 0.452 59.458 59.018 -0.020 0.000 1.618 524 C CB -0.134 27.597 27.740 -0.015 0.000 2.278 524 C HN 2.920 nan 8.230 nan 0.000 0.499 525 G N 2.947 111.739 108.800 -0.013 0.000 3.220 525 G HA2 0.474 4.434 3.960 -0.000 0.000 0.636 525 G HA3 0.474 4.434 3.960 -0.000 0.000 0.636 525 G C -0.802 174.097 174.900 -0.002 0.000 1.226 525 G CA 0.245 45.343 45.100 -0.004 0.000 1.177 525 G HN 1.986 nan 8.290 nan 0.000 0.527 526 S N 0.404 116.108 115.700 0.007 0.000 2.621 526 S HA 0.690 5.159 4.470 -0.000 0.000 0.271 526 S C -0.190 174.435 174.600 0.042 0.000 1.131 526 S CA 0.567 58.777 58.200 0.017 0.000 0.962 526 S CB 1.058 64.258 63.200 0.000 0.000 1.199 526 S HN 1.577 nan 8.310 nan 0.000 0.474 527 N N -0.345 118.397 118.700 0.071 0.000 1.872 527 N HA 0.200 4.940 4.740 -0.000 0.000 0.223 527 N C 0.144 175.790 175.510 0.227 0.000 1.424 527 N CA 0.838 53.973 53.050 0.142 0.000 0.710 527 N CB 0.171 38.732 38.487 0.123 0.000 1.074 527 N HN 0.465 nan 8.380 nan 0.000 0.544 528 S N -0.478 115.319 115.700 0.162 0.000 2.592 528 S HA 0.273 4.743 4.470 -0.000 0.000 0.247 528 S C -0.128 174.696 174.600 0.373 0.000 1.322 528 S CA 0.068 58.395 58.200 0.213 0.000 0.973 528 S CB 0.615 63.889 63.200 0.123 0.000 0.971 528 S HN 0.331 nan 8.310 nan 0.000 0.545 529 W N -0.027 121.303 121.300 0.051 0.000 3.079 529 W HA 0.304 4.964 4.660 -0.000 0.000 0.329 529 W C -1.410 175.156 176.519 0.077 0.000 1.181 529 W CA 0.576 57.956 57.345 0.058 0.000 1.160 529 W CB 0.566 30.058 29.460 0.054 0.000 1.423 529 W HN 1.304 nan 8.180 nan 0.000 0.566 530 T N 0.148 114.878 114.554 0.293 0.000 1.058 530 T HA -0.070 4.280 4.350 -0.000 0.000 0.720 530 T C -1.579 173.225 174.700 0.173 0.000 0.979 530 T CA 0.199 62.452 62.100 0.255 0.000 3.809 530 T CB -1.679 67.360 68.868 0.286 0.000 2.164 530 T HN 1.076 nan 8.240 nan 0.000 0.397 531 V N 4.640 124.641 119.914 0.146 0.000 3.074 531 V HA 0.852 4.972 4.120 -0.000 0.000 0.314 531 V C 1.192 177.381 176.094 0.158 0.000 1.117 531 V CA 0.135 62.498 62.300 0.105 0.000 1.014 531 V CB 2.244 34.083 31.823 0.028 0.000 1.057 531 V HN 1.096 nan 8.190 nan 0.000 0.438 532 V N 1.377 121.332 119.914 0.069 0.000 2.607 532 V HA 0.280 4.400 4.120 -0.000 0.000 0.228 532 V C 1.307 177.435 176.094 0.056 0.000 1.106 532 V CA 1.234 63.555 62.300 0.036 0.000 1.141 532 V CB -0.625 31.031 31.823 -0.278 0.000 0.808 532 V HN 1.004 nan 8.190 nan 0.000 0.501 533 D N -0.427 119.975 120.400 0.003 0.000 4.486 533 D HA -0.235 4.405 4.640 -0.000 0.000 0.134 533 D C -0.063 176.273 176.300 0.060 0.000 0.739 533 D CA 1.926 55.940 54.000 0.024 0.000 1.119 533 D CB -0.794 40.028 40.800 0.036 0.000 0.594 533 D HN 0.468 nan 8.370 nan 0.000 0.569 534 I N 1.163 121.787 120.570 0.089 0.000 2.676 534 I HA 0.250 4.420 4.170 -0.000 0.000 0.309 534 I C -0.463 175.742 176.117 0.148 0.000 0.990 534 I CA -0.647 60.724 61.300 0.120 0.000 1.168 534 I CB 1.194 39.258 38.000 0.108 0.000 1.343 534 I HN 0.167 nan 8.210 nan 0.000 0.482 535 D N 6.705 127.213 120.400 0.180 0.000 2.488 535 D HA 0.180 4.819 4.640 -0.000 0.000 0.238 535 D C -2.412 174.013 176.300 0.208 0.000 1.138 535 D CA -0.074 54.065 54.000 0.231 0.000 0.873 535 D CB 0.267 41.259 40.800 0.321 0.000 1.183 535 D HN 0.280 nan 8.370 nan 0.000 0.458 536 P HA 0.321 nan 4.420 nan 0.000 0.290 536 P C -2.662 174.634 177.300 -0.007 0.000 1.276 536 P CA -1.590 61.565 63.100 0.091 0.000 0.808 536 P CB 1.246 33.007 31.700 0.102 0.000 0.966 537 P HA 0.329 nan 4.420 nan 0.000 0.301 537 P C -1.199 175.926 177.300 -0.291 0.000 1.337 537 P CA -0.643 62.233 63.100 -0.373 0.000 0.889 537 P CB 1.218 32.697 31.700 -0.368 0.000 1.050 538 L N 2.934 123.931 121.223 -0.376 0.000 2.257 538 L HA 0.621 4.961 4.340 -0.000 0.000 0.290 538 L C 0.784 177.414 176.870 -0.401 0.000 1.044 538 L CA -0.815 53.831 54.840 -0.323 0.000 0.810 538 L CB 0.573 42.519 42.059 -0.187 0.000 1.193 538 L HN 0.212 nan 8.230 nan 0.000 0.425 539 R N 1.571 121.840 120.500 -0.385 0.000 2.666 539 R HA 0.332 4.672 4.340 -0.000 0.000 0.275 539 R C -0.949 175.149 176.300 -0.337 0.000 1.266 539 R CA -0.382 55.533 56.100 -0.309 0.000 1.401 539 R CB 0.138 30.302 30.300 -0.227 0.000 1.145 539 R HN 0.676 nan 8.270 nan 0.000 0.581 540 S N 2.286 117.806 115.700 -0.300 0.000 2.438 540 S HA 0.179 4.649 4.470 -0.000 0.000 0.293 540 S C 0.428 174.975 174.600 -0.088 0.000 1.141 540 S CA -0.890 57.163 58.200 -0.245 0.000 1.080 540 S CB 0.975 64.077 63.200 -0.164 0.000 0.978 540 S HN 0.580 nan 8.310 nan 0.000 0.479 541 N N 3.357 121.996 118.700 -0.102 0.000 2.170 541 N HA -0.090 4.650 4.740 -0.000 0.000 0.217 541 N C 0.052 175.570 175.510 0.013 0.000 1.191 541 N CA 1.228 54.240 53.050 -0.064 0.000 0.891 541 N CB -0.410 38.035 38.487 -0.070 0.000 0.898 541 N HN 0.804 nan 8.380 nan 0.000 0.362 542 D N -2.288 118.127 120.400 0.026 0.000 2.714 542 D HA 0.461 5.101 4.640 -0.000 0.000 0.278 542 D C -2.064 174.280 176.300 0.073 0.000 1.102 542 D CA -1.190 52.870 54.000 0.100 0.000 1.108 542 D CB 0.266 41.138 40.800 0.120 0.000 1.444 542 D HN 0.294 nan 8.370 nan 0.000 0.568 543 P HA 0.413 nan 4.420 nan 0.000 0.288 543 P C 0.206 177.543 177.300 0.063 0.000 1.333 543 P CA 0.252 63.379 63.100 0.046 0.000 0.806 543 P CB 1.011 32.707 31.700 -0.006 0.000 2.004 544 K N -2.392 118.055 120.400 0.078 0.000 2.226 544 K HA 0.163 4.483 4.320 -0.000 0.000 0.140 544 K C 0.842 177.493 176.600 0.084 0.000 2.039 544 K CA 1.057 57.386 56.287 0.070 0.000 1.172 544 K CB 0.256 32.772 32.500 0.026 0.000 2.136 544 K HN 0.524 nan 8.250 nan 0.000 0.492 545 S N -0.181 115.557 115.700 0.063 0.000 6.217 545 S HA 0.006 4.475 4.470 -0.000 0.000 0.134 545 S C -0.980 173.598 174.600 -0.037 0.000 1.451 545 S CA -0.607 57.624 58.200 0.051 0.000 0.925 545 S CB 0.236 63.450 63.200 0.023 0.000 1.722 545 S HN 0.015 nan 8.310 nan 0.000 0.574 546 Q N 1.995 121.760 119.800 -0.058 0.000 3.008 546 Q HA 0.695 5.035 4.340 -0.000 0.000 0.307 546 Q C -0.847 175.073 176.000 -0.135 0.000 1.273 546 Q CA -0.244 55.494 55.803 -0.107 0.000 1.091 546 Q CB -0.399 28.296 28.738 -0.072 0.000 1.393 546 Q HN 0.426 nan 8.270 nan 0.000 0.521 547 N N 0.566 119.157 118.700 -0.182 0.000 2.537 547 N HA 0.133 4.873 4.740 -0.000 0.000 0.281 547 N C -1.709 173.673 175.510 -0.212 0.000 1.097 547 N CA -0.420 52.529 53.050 -0.169 0.000 0.964 547 N CB 1.058 39.491 38.487 -0.090 0.000 1.588 547 N HN 0.377 nan 8.380 nan 0.000 0.511 548 H N 2.384 121.375 119.070 -0.132 0.000 3.140 548 H HA 0.087 4.643 4.556 -0.000 0.000 0.316 548 H C -1.816 173.337 175.328 -0.292 0.000 0.986 548 H CA 0.266 56.194 56.048 -0.201 0.000 1.397 548 H CB 0.473 30.137 29.762 -0.164 0.000 1.377 548 H HN 0.407 nan 8.280 nan 0.000 0.585 549 P HA 0.408 nan 4.420 nan 0.000 0.287 549 P C -0.303 176.418 177.300 -0.965 0.000 1.270 549 P CA -0.580 62.195 63.100 -0.542 0.000 0.844 549 P CB 2.329 33.662 31.700 -0.610 0.000 1.068 550 G N 0.427 108.895 108.800 -0.554 0.000 2.523 550 G HA2 0.388 4.348 3.960 -0.000 0.000 0.291 550 G HA3 0.388 4.348 3.960 -0.000 0.000 0.291 550 G C -2.457 172.571 174.900 0.213 0.000 1.450 550 G CA -0.785 44.115 45.100 -0.332 0.000 0.790 550 G HN 0.596 nan 8.290 nan 0.000 0.496 551 W N 0.132 121.499 121.300 0.112 0.000 3.164 551 W HA 0.791 5.450 4.660 -0.000 0.000 0.325 551 W C -1.356 175.190 176.519 0.045 0.000 1.228 551 W CA -1.176 56.225 57.345 0.094 0.000 1.024 551 W CB 1.736 31.288 29.460 0.152 0.000 1.534 551 W HN 0.483 nan 8.180 nan 0.000 0.614 552 L N 4.369 124.994 121.223 -0.995 0.000 2.492 552 L HA 0.306 4.646 4.340 -0.000 0.000 0.258 552 L C -0.551 175.593 176.870 -1.210 0.000 1.028 552 L CA -0.648 53.643 54.840 -0.915 0.000 0.900 552 L CB 1.071 42.703 42.059 -0.711 0.000 1.191 552 L HN 0.495 nan 8.230 nan 0.000 0.459 553 M N 3.447 122.610 119.600 -0.728 0.000 2.261 553 M HA 0.019 4.499 4.480 -0.000 0.000 0.350 553 M C 0.017 176.033 176.300 -0.474 0.000 1.343 553 M CA 1.016 56.010 55.300 -0.510 0.000 1.003 553 M CB 0.336 32.726 32.600 -0.350 0.000 1.848 553 M HN 0.462 nan 8.290 nan 0.000 0.456 554 R N 1.972 122.245 120.500 -0.378 0.000 2.750 554 R HA 0.596 4.936 4.340 -0.000 0.000 0.281 554 R C -0.397 175.760 176.300 -0.239 0.000 0.972 554 R CA 0.175 56.089 56.100 -0.311 0.000 0.912 554 R CB 1.787 31.919 30.300 -0.280 0.000 1.187 554 R HN 0.810 nan 8.270 nan 0.000 0.464 555 G N 3.913 112.572 108.800 -0.234 0.000 2.354 555 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.278 555 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.278 555 G C -0.693 174.101 174.900 -0.175 0.000 0.953 555 G CA 0.793 45.785 45.100 -0.180 0.000 1.346 555 G HN 0.467 nan 8.290 nan 0.000 0.467 556 L N -1.263 119.817 121.223 -0.240 0.000 2.354 556 L HA 0.695 5.035 4.340 -0.000 0.000 0.264 556 L C 0.593 177.421 176.870 -0.071 0.000 1.008 556 L CA -1.608 53.086 54.840 -0.245 0.000 0.819 556 L CB 1.649 43.259 42.059 -0.748 0.000 1.339 556 L HN 0.157 nan 8.230 nan 0.000 0.420 557 K N 1.664 122.117 120.400 0.088 0.000 2.484 557 K HA 0.172 4.492 4.320 -0.000 0.000 0.280 557 K C -2.297 174.434 176.600 0.218 0.000 1.013 557 K CA -0.983 55.393 56.287 0.149 0.000 1.029 557 K CB 0.577 33.141 32.500 0.107 0.000 0.902 557 K HN 0.306 nan 8.250 nan 0.000 0.481 558 P HA -0.038 nan 4.420 nan 0.000 0.274 558 P C -1.124 176.413 177.300 0.395 0.000 1.260 558 P CA -0.222 63.068 63.100 0.317 0.000 0.793 558 P CB 0.186 32.121 31.700 0.392 0.000 1.048 559 W N -0.733 120.660 121.300 0.156 0.000 6.719 559 W HA -0.192 4.468 4.660 -0.000 0.000 0.406 559 W C -0.871 175.792 176.519 0.240 0.000 1.551 559 W CA 1.202 58.643 57.345 0.161 0.000 1.103 559 W CB -1.935 27.605 29.460 0.134 0.000 2.735 559 W HN 0.127 nan 8.180 nan 0.000 1.586 560 T N 1.068 115.684 114.554 0.103 0.000 2.876 560 T HA 0.274 4.624 4.350 -0.000 0.000 0.289 560 T C -0.275 174.257 174.700 -0.280 0.000 1.014 560 T CA -0.716 61.329 62.100 -0.091 0.000 0.986 560 T CB 1.861 70.505 68.868 -0.375 0.000 1.021 560 T HN 0.040 nan 8.240 nan 0.000 0.458 561 Q N 2.476 122.013 119.800 -0.437 0.000 2.566 561 Q HA 0.259 4.599 4.340 -0.000 0.000 0.221 561 Q C -1.287 174.514 176.000 -0.331 0.000 1.195 561 Q CA -0.356 55.266 55.803 -0.301 0.000 0.967 561 Q CB -0.087 28.632 28.738 -0.031 0.000 1.337 561 Q HN 0.588 nan 8.270 nan 0.000 0.553 562 Y N 1.130 121.246 120.300 -0.307 0.000 2.436 562 Y HA 0.269 4.819 4.550 -0.000 0.000 0.336 562 Y C 0.466 176.307 175.900 -0.097 0.000 1.049 562 Y CA -0.274 57.720 58.100 -0.176 0.000 1.294 562 Y CB 0.960 39.286 38.460 -0.224 0.000 1.179 562 Y HN 0.556 nan 8.280 nan 0.000 0.520 563 A N 6.674 129.567 122.820 0.121 0.000 2.289 563 A HA 0.680 5.000 4.320 -0.000 0.000 0.298 563 A C -0.356 177.343 177.584 0.191 0.000 1.208 563 A CA -0.498 51.620 52.037 0.137 0.000 0.845 563 A CB -0.031 19.052 19.000 0.139 0.000 1.125 563 A HN 0.826 nan 8.150 nan 0.000 0.517 564 I N 0.268 120.953 120.570 0.192 0.000 3.174 564 I HA 1.011 5.181 4.170 -0.000 0.000 0.313 564 I C -1.067 175.286 176.117 0.392 0.000 1.155 564 I CA -1.233 60.201 61.300 0.222 0.000 0.977 564 I CB 2.463 40.531 38.000 0.113 0.000 1.248 564 I HN 0.901 nan 8.210 nan 0.000 0.453 565 F N 3.024 123.153 119.950 0.298 0.000 2.842 565 F HA 0.772 5.298 4.527 -0.000 0.000 0.319 565 F C -2.246 173.748 175.800 0.324 0.000 1.159 565 F CA -0.891 57.297 58.000 0.313 0.000 0.902 565 F CB 0.849 39.942 39.000 0.154 0.000 1.311 565 F HN 0.519 nan 8.300 nan 0.000 0.453 566 V N 1.845 121.981 119.914 0.369 0.000 2.925 566 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 566 V C -1.605 174.547 176.094 0.097 0.000 1.104 566 V CA -0.251 62.033 62.300 -0.026 0.000 0.954 566 V CB 2.006 33.420 31.823 -0.681 0.000 1.022 566 V HN 1.311 nan 8.190 nan 0.000 0.427 567 K N 2.564 123.003 120.400 0.065 0.000 2.509 567 K HA 0.797 5.117 4.320 -0.000 0.000 0.266 567 K C -1.122 175.487 176.600 0.014 0.000 0.987 567 K CA -0.270 56.085 56.287 0.113 0.000 0.868 567 K CB 2.429 35.139 32.500 0.350 0.000 1.421 567 K HN 0.814 nan 8.250 nan 0.000 0.444 568 T N 0.495 115.089 114.554 0.066 0.000 2.829 568 T HA 0.271 4.621 4.350 -0.000 0.000 0.282 568 T C 0.215 175.025 174.700 0.183 0.000 0.990 568 T CA -0.931 61.250 62.100 0.134 0.000 1.028 568 T CB 1.138 70.112 68.868 0.177 0.000 0.951 568 T HN 0.477 nan 8.240 nan 0.000 0.460 569 L N 4.497 125.864 121.223 0.241 0.000 2.922 569 L HA 0.229 4.569 4.340 -0.000 0.000 0.244 569 L C 0.323 177.489 176.870 0.494 0.000 1.324 569 L CA -0.447 54.530 54.840 0.229 0.000 1.172 569 L CB -1.806 40.294 42.059 0.068 0.000 1.545 569 L HN 0.668 nan 8.230 nan 0.000 0.438 570 V N -0.372 119.739 119.914 0.328 0.000 2.931 570 V HA -0.090 4.030 4.120 -0.000 0.000 0.290 570 V C 0.881 176.929 176.094 -0.075 0.000 1.315 570 V CA 0.651 62.772 62.300 -0.299 0.000 1.393 570 V CB -0.783 30.743 31.823 -0.496 0.000 0.887 570 V HN 0.618 nan 8.190 nan 0.000 0.520 571 T N 4.950 119.270 114.554 -0.390 0.000 3.504 571 T HA 0.410 4.760 4.350 -0.000 0.000 0.286 571 T C -0.351 174.290 174.700 -0.099 0.000 1.530 571 T CA -0.135 61.958 62.100 -0.013 0.000 1.652 571 T CB -0.403 68.654 68.868 0.316 0.000 0.895 571 T HN 0.436 nan 8.240 nan 0.000 0.674 572 F N 2.376 122.299 119.950 -0.046 0.000 2.471 572 F HA 0.293 4.820 4.527 -0.000 0.000 0.353 572 F C 1.525 177.319 175.800 -0.009 0.000 1.113 572 F CA -0.429 57.545 58.000 -0.042 0.000 1.262 572 F CB 0.863 39.837 39.000 -0.044 0.000 1.146 572 F HN 0.347 nan 8.300 nan 0.000 0.578 573 S N 1.064 116.906 115.700 0.236 0.000 2.590 573 S HA 0.149 4.619 4.470 -0.000 0.000 0.282 573 S C 0.569 175.208 174.600 0.066 0.000 1.136 573 S CA -0.781 57.490 58.200 0.117 0.000 1.030 573 S CB 0.507 63.761 63.200 0.091 0.000 1.195 573 S HN 0.591 nan 8.310 nan 0.000 0.506 574 D N 1.217 121.639 120.400 0.037 0.000 2.149 574 D HA -0.065 4.574 4.640 -0.000 0.000 0.194 574 D C 0.510 176.802 176.300 -0.013 0.000 1.001 574 D CA 1.463 55.469 54.000 0.011 0.000 0.849 574 D CB -0.500 40.306 40.800 0.009 0.000 0.939 574 D HN 0.448 nan 8.370 nan 0.000 0.449 575 E N -0.021 120.169 120.200 -0.017 0.000 2.521 575 E HA -0.100 4.250 4.350 -0.000 0.000 0.265 575 E C 0.520 177.053 176.600 -0.110 0.000 1.291 575 E CA 0.083 56.451 56.400 -0.054 0.000 1.092 575 E CB 0.170 29.840 29.700 -0.049 0.000 0.992 575 E HN 0.078 nan 8.360 nan 0.000 0.492 576 R N 2.389 122.806 120.500 -0.138 0.000 2.435 576 R HA -0.046 4.294 4.340 -0.000 0.000 0.325 576 R C -0.368 175.730 176.300 -0.337 0.000 1.149 576 R CA -0.483 55.510 56.100 -0.179 0.000 0.995 576 R CB 0.083 30.303 30.300 -0.132 0.000 1.008 576 R HN 0.318 nan 8.270 nan 0.000 0.470 577 R N 3.153 123.448 120.500 -0.342 0.000 2.549 577 R HA -0.051 4.289 4.340 -0.000 0.000 0.336 577 R C -0.786 175.187 176.300 -0.546 0.000 0.891 577 R CA 0.301 56.078 56.100 -0.538 0.000 1.102 577 R CB -0.152 30.043 30.300 -0.176 0.000 0.899 577 R HN 0.398 nan 8.270 nan 0.000 0.407 578 T N 3.616 117.600 114.554 -0.951 0.000 2.772 578 T HA 0.318 4.668 4.350 -0.000 0.000 0.288 578 T C 0.215 175.086 174.700 0.286 0.000 0.994 578 T CA -0.455 61.519 62.100 -0.210 0.000 0.951 578 T CB 0.003 68.832 68.868 -0.065 0.000 0.933 578 T HN 0.530 nan 8.240 nan 0.000 0.447 579 Y N 3.214 123.530 120.300 0.026 0.000 3.611 579 Y HA -0.378 4.172 4.550 -0.000 0.000 0.434 579 Y C 1.879 177.867 175.900 0.147 0.000 0.961 579 Y CA 2.017 60.161 58.100 0.073 0.000 2.745 579 Y CB -2.003 36.467 38.460 0.017 0.000 0.874 579 Y HN 1.224 nan 8.280 nan 0.000 0.548 580 G N 0.135 109.225 108.800 0.483 0.000 2.602 580 G HA2 0.155 4.115 3.960 -0.000 0.000 0.310 580 G HA3 0.155 4.115 3.960 -0.000 0.000 0.310 580 G C 0.161 175.149 174.900 0.148 0.000 1.183 580 G CA 1.681 46.935 45.100 0.256 0.000 0.979 580 G HN 1.970 nan 8.290 nan 0.000 0.545 581 A N -1.058 121.815 122.820 0.088 0.000 1.853 581 A HA 0.678 4.997 4.320 -0.000 0.000 0.260 581 A C -0.720 176.882 177.584 0.029 0.000 0.973 581 A CA 1.062 53.133 52.037 0.058 0.000 0.811 581 A CB 0.088 19.138 19.000 0.084 0.000 0.795 581 A HN 1.851 nan 8.150 nan 0.000 0.331 582 K N 1.933 122.332 120.400 -0.001 0.000 2.501 582 K HA 0.750 5.070 4.320 -0.000 0.000 0.252 582 K C 0.499 177.064 176.600 -0.058 0.000 0.934 582 K CA 0.207 56.486 56.287 -0.014 0.000 0.797 582 K CB 2.055 34.545 32.500 -0.017 0.000 1.270 582 K HN 1.117 nan 8.250 nan 0.000 0.431 583 S N 1.893 117.551 115.700 -0.069 0.000 2.375 583 S HA 0.162 4.632 4.470 -0.000 0.000 0.231 583 S C -0.272 174.290 174.600 -0.064 0.000 1.319 583 S CA 0.298 58.424 58.200 -0.124 0.000 0.983 583 S CB 0.193 63.249 63.200 -0.240 0.000 0.889 583 S HN 0.779 nan 8.310 nan 0.000 0.489 584 D N -1.008 119.400 120.400 0.013 0.000 2.596 584 D HA 0.362 5.001 4.640 -0.000 0.000 0.262 584 D C -0.905 175.510 176.300 0.192 0.000 1.210 584 D CA -0.539 53.472 54.000 0.018 0.000 0.873 584 D CB 1.532 42.354 40.800 0.037 0.000 1.408 584 D HN 0.473 nan 8.370 nan 0.000 0.441 585 I N -0.187 120.452 120.570 0.114 0.000 2.713 585 I HA 0.615 4.785 4.170 -0.000 0.000 0.300 585 I C -0.140 176.112 176.117 0.226 0.000 1.009 585 I CA -0.647 60.793 61.300 0.232 0.000 1.305 585 I CB 0.213 38.292 38.000 0.131 0.000 1.430 585 I HN 0.364 nan 8.210 nan 0.000 0.546 586 I N 3.223 123.930 120.570 0.227 0.000 2.913 586 I HA 0.425 4.595 4.170 -0.000 0.000 0.302 586 I C -0.866 175.343 176.117 0.153 0.000 1.246 586 I CA -1.090 60.317 61.300 0.178 0.000 1.010 586 I CB 1.833 39.916 38.000 0.138 0.000 1.259 586 I HN 0.708 nan 8.210 nan 0.000 0.434 587 Y N 4.262 124.580 120.300 0.030 0.000 2.346 587 Y HA 0.731 5.281 4.550 -0.000 0.000 0.330 587 Y C -1.029 174.860 175.900 -0.017 0.000 1.178 587 Y CA -0.366 57.740 58.100 0.010 0.000 1.331 587 Y CB 1.141 39.599 38.460 -0.002 0.000 1.253 587 Y HN 0.384 nan 8.280 nan 0.000 0.529 588 V N 6.418 125.830 119.914 -0.837 0.000 2.671 588 V HA 0.164 4.284 4.120 -0.000 0.000 0.292 588 V C -1.035 174.605 176.094 -0.757 0.000 1.115 588 V CA -0.765 61.056 62.300 -0.798 0.000 0.918 588 V CB 1.424 33.049 31.823 -0.329 0.000 1.036 588 V HN 0.823 nan 8.190 nan 0.000 0.445 589 Q N 1.985 121.284 119.800 -0.835 0.000 2.271 589 Q HA 0.622 4.962 4.340 -0.000 0.000 0.258 589 Q C -0.138 175.724 176.000 -0.230 0.000 0.936 589 Q CA -0.093 55.446 55.803 -0.439 0.000 0.909 589 Q CB 1.881 30.423 28.738 -0.325 0.000 1.253 589 Q HN 0.832 nan 8.270 nan 0.000 0.440 590 T N 3.124 117.608 114.554 -0.116 0.000 2.845 590 T HA 0.217 4.567 4.350 -0.000 0.000 0.288 590 T C -0.434 174.312 174.700 0.078 0.000 0.980 590 T CA -0.830 61.250 62.100 -0.033 0.000 1.071 590 T CB 0.425 69.282 68.868 -0.018 0.000 0.941 590 T HN 0.637 nan 8.240 nan 0.000 0.487 591 D N 2.543 123.009 120.400 0.109 0.000 2.405 591 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 591 D C -0.145 176.339 176.300 0.307 0.000 1.240 591 D CA 0.486 54.606 54.000 0.200 0.000 0.881 591 D CB 0.227 41.141 40.800 0.191 0.000 1.222 591 D HN 0.738 nan 8.370 nan 0.000 0.482 592 A N 0.669 123.660 122.820 0.284 0.000 2.340 592 A HA 0.553 4.873 4.320 -0.000 0.000 0.297 592 A C -0.258 177.324 177.584 -0.004 0.000 1.195 592 A CA -0.755 51.409 52.037 0.212 0.000 0.769 592 A CB 0.611 19.772 19.000 0.268 0.000 1.163 592 A HN 0.412 nan 8.150 nan 0.000 0.472 593 T N 1.721 116.161 114.554 -0.190 0.000 2.867 593 T HA 0.437 4.786 4.350 -0.000 0.000 0.282 593 T C 0.151 174.689 174.700 -0.270 0.000 1.000 593 T CA -1.082 60.801 62.100 -0.362 0.000 1.042 593 T CB 0.664 69.008 68.868 -0.872 0.000 0.973 593 T HN 0.735 nan 8.240 nan 0.000 0.465 594 N N 2.214 120.789 118.700 -0.209 0.000 1.680 594 N HA -0.124 4.615 4.740 -0.000 0.000 0.364 594 N C -2.677 172.750 175.510 -0.138 0.000 1.181 594 N CA -0.174 52.779 53.050 -0.161 0.000 0.790 594 N CB -0.368 38.033 38.487 -0.144 0.000 0.988 594 N HN 0.442 nan 8.380 nan 0.000 0.520 595 P HA 0.195 nan 4.420 nan 0.000 0.283 595 P C -0.228 177.034 177.300 -0.063 0.000 1.278 595 P CA -0.612 62.440 63.100 -0.081 0.000 0.834 595 P CB 1.055 32.706 31.700 -0.082 0.000 1.150 596 S N -0.250 115.427 115.700 -0.038 0.000 2.614 596 S HA 0.174 4.644 4.470 -0.000 0.000 0.265 596 S C 0.426 175.002 174.600 -0.039 0.000 1.303 596 S CA -0.703 57.475 58.200 -0.037 0.000 1.000 596 S CB 0.188 63.376 63.200 -0.020 0.000 0.935 596 S HN 0.394 nan 8.310 nan 0.000 0.551 597 V N 3.676 123.555 119.914 -0.057 0.000 3.061 597 V HA 0.260 4.380 4.120 -0.000 0.000 0.306 597 V C -2.302 173.756 176.094 -0.059 0.000 1.118 597 V CA -1.088 61.162 62.300 -0.084 0.000 1.231 597 V CB -0.102 31.662 31.823 -0.098 0.000 0.956 597 V HN 0.793 nan 8.190 nan 0.000 0.499 598 P HA 0.261 nan 4.420 nan 0.000 0.272 598 P C -0.816 176.468 177.300 -0.027 0.000 1.230 598 P CA -0.103 62.960 63.100 -0.061 0.000 0.788 598 P CB 0.366 31.925 31.700 -0.235 0.000 0.949 599 L N 1.351 122.593 121.223 0.032 0.000 2.322 599 L HA 0.285 4.624 4.340 -0.000 0.000 0.269 599 L C 0.277 177.176 176.870 0.049 0.000 1.012 599 L CA -0.334 54.523 54.840 0.029 0.000 0.815 599 L CB 0.572 42.648 42.059 0.028 0.000 1.295 599 L HN 0.449 nan 8.230 nan 0.000 0.438 600 D N -0.198 120.221 120.400 0.032 0.000 2.686 600 D HA -0.138 4.502 4.640 -0.000 0.000 0.235 600 D C -2.376 173.961 176.300 0.062 0.000 1.160 600 D CA 0.453 54.474 54.000 0.036 0.000 0.645 600 D CB -1.161 39.654 40.800 0.026 0.000 1.039 600 D HN 0.224 nan 8.370 nan 0.000 0.423 601 P HA 0.307 nan 4.420 nan 0.000 0.281 601 P C -0.121 177.219 177.300 0.065 0.000 1.252 601 P CA -0.440 62.718 63.100 0.096 0.000 0.778 601 P CB 0.769 32.480 31.700 0.020 0.000 0.895 602 I N -0.668 119.952 120.570 0.082 0.000 2.563 602 I HA 0.352 4.522 4.170 -0.000 0.000 0.285 602 I C -1.002 175.149 176.117 0.057 0.000 1.123 602 I CA -0.842 60.489 61.300 0.052 0.000 1.059 602 I CB 1.673 39.693 38.000 0.033 0.000 1.229 602 I HN 0.159 nan 8.210 nan 0.000 0.442 603 S N 5.327 121.054 115.700 0.045 0.000 2.448 603 S HA 0.685 5.155 4.470 -0.000 0.000 0.320 603 S C -0.291 174.319 174.600 0.017 0.000 1.071 603 S CA -0.713 57.510 58.200 0.038 0.000 1.113 603 S CB 2.036 65.260 63.200 0.040 0.000 0.972 603 S HN 0.750 nan 8.310 nan 0.000 0.465 604 V N 2.186 122.105 119.914 0.007 0.000 2.680 604 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 604 V C -0.053 176.032 176.094 -0.015 0.000 1.052 604 V CA -0.569 61.727 62.300 -0.006 0.000 0.908 604 V CB 2.050 33.870 31.823 -0.005 0.000 1.001 604 V HN 0.917 nan 8.190 nan 0.000 0.431 605 S N 4.253 119.939 115.700 -0.024 0.000 2.528 605 S HA 0.223 4.693 4.470 -0.000 0.000 0.277 605 S C 0.930 175.517 174.600 -0.021 0.000 1.297 605 S CA 0.210 58.393 58.200 -0.028 0.000 1.052 605 S CB 0.283 63.459 63.200 -0.040 0.000 0.917 605 S HN 0.980 nan 8.310 nan 0.000 0.492 606 N N 2.569 121.256 118.700 -0.021 0.000 2.322 606 N HA -0.020 4.720 4.740 -0.000 0.000 0.186 606 N C 0.805 176.310 175.510 -0.008 0.000 1.037 606 N CA 0.882 53.923 53.050 -0.015 0.000 0.869 606 N CB 0.096 38.571 38.487 -0.020 0.000 1.036 606 N HN 0.670 nan 8.380 nan 0.000 0.439 607 S N -1.052 114.645 115.700 -0.005 0.000 3.137 607 S HA 0.363 4.832 4.470 -0.000 0.000 0.292 607 S C 1.099 175.715 174.600 0.026 0.000 1.041 607 S CA -0.353 57.851 58.200 0.007 0.000 0.956 607 S CB 1.046 64.248 63.200 0.004 0.000 1.360 607 S HN 0.116 nan 8.310 nan 0.000 0.690 608 S N 0.848 116.572 115.700 0.039 0.000 2.355 608 S HA 0.053 4.523 4.470 -0.000 0.000 0.222 608 S C 1.509 176.179 174.600 0.117 0.000 1.031 608 S CA 1.452 59.700 58.200 0.080 0.000 0.993 608 S CB -0.462 62.766 63.200 0.047 0.000 0.859 608 S HN 0.704 nan 8.310 nan 0.000 0.453 609 S N 0.189 115.934 115.700 0.074 0.000 2.846 609 S HA 0.336 4.805 4.470 -0.000 0.000 0.249 609 S C -0.357 174.241 174.600 -0.003 0.000 1.028 609 S CA -0.503 57.741 58.200 0.074 0.000 1.043 609 S CB 0.083 63.338 63.200 0.092 0.000 0.990 609 S HN 0.367 nan 8.310 nan 0.000 0.564 610 Q N 1.027 120.816 119.800 -0.018 0.000 2.266 610 Q HA 0.665 5.004 4.340 -0.000 0.000 0.261 610 Q C -1.330 174.629 176.000 -0.068 0.000 0.985 610 Q CA -0.697 55.069 55.803 -0.061 0.000 0.873 610 Q CB 2.293 31.004 28.738 -0.045 0.000 1.306 610 Q HN 0.362 nan 8.270 nan 0.000 0.447 611 I N 2.292 122.797 120.570 -0.108 0.000 2.571 611 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 611 I C -1.688 174.378 176.117 -0.084 0.000 1.134 611 I CA -1.078 60.168 61.300 -0.090 0.000 1.052 611 I CB 1.432 39.369 38.000 -0.105 0.000 1.237 611 I HN 0.598 nan 8.210 nan 0.000 0.435 612 I N 6.498 127.043 120.570 -0.041 0.000 2.396 612 I HA 0.579 4.749 4.170 -0.000 0.000 0.292 612 I C -1.418 174.713 176.117 0.023 0.000 0.999 612 I CA -0.189 61.102 61.300 -0.015 0.000 1.310 612 I CB 1.316 39.308 38.000 -0.013 0.000 1.404 612 I HN 0.622 nan 8.210 nan 0.000 0.496 613 L N 6.458 127.729 121.223 0.079 0.000 2.333 613 L HA 0.626 4.966 4.340 -0.000 0.000 0.280 613 L C -0.904 176.121 176.870 0.259 0.000 1.004 613 L CA -0.663 54.281 54.840 0.173 0.000 0.820 613 L CB 1.186 43.371 42.059 0.209 0.000 1.247 613 L HN 0.739 nan 8.230 nan 0.000 0.416 614 K N 4.605 125.138 120.400 0.220 0.000 2.328 614 K HA 0.616 4.936 4.320 -0.000 0.000 0.246 614 K C -1.491 175.271 176.600 0.270 0.000 0.955 614 K CA -0.530 55.822 56.287 0.108 0.000 0.817 614 K CB 2.793 35.291 32.500 -0.003 0.000 1.208 614 K HN 0.677 nan 8.250 nan 0.000 0.432 615 W N -0.034 121.205 121.300 -0.103 0.000 3.298 615 W HA 0.442 5.101 4.660 -0.000 0.000 0.302 615 W C -1.553 174.883 176.519 -0.139 0.000 1.255 615 W CA -0.891 56.368 57.345 -0.143 0.000 1.196 615 W CB 0.480 29.803 29.460 -0.229 0.000 1.364 615 W HN 0.102 nan 8.180 nan 0.000 0.566 616 K N 1.872 122.301 120.400 0.048 0.000 2.123 616 K HA 0.572 4.892 4.320 -0.000 0.000 0.248 616 K C -2.558 174.097 176.600 0.091 0.000 0.969 616 K CA -2.448 53.833 56.287 -0.010 0.000 0.882 616 K CB 0.748 33.250 32.500 0.004 0.000 1.080 616 K HN 0.205 nan 8.250 nan 0.000 0.441 617 P HA 0.068 nan 4.420 nan 0.000 0.267 617 P C -1.685 175.683 177.300 0.113 0.000 1.205 617 P CA -0.960 62.237 63.100 0.161 0.000 0.765 617 P CB 0.205 31.974 31.700 0.115 0.000 0.828 618 P HA -0.174 nan 4.420 nan 0.000 0.222 618 P C 0.096 177.424 177.300 0.047 0.000 1.147 618 P CA 1.270 64.410 63.100 0.068 0.000 0.790 618 P CB -0.279 31.460 31.700 0.064 0.000 0.780 619 S N -1.593 114.136 115.700 0.049 0.000 3.884 619 S HA -0.115 4.354 4.470 -0.000 0.000 0.374 619 S C -0.438 174.183 174.600 0.035 0.000 0.971 619 S CA 0.617 58.841 58.200 0.040 0.000 1.152 619 S CB -2.813 60.416 63.200 0.047 0.000 0.877 619 S HN 0.364 nan 8.310 nan 0.000 0.491 620 D N 0.449 120.855 120.400 0.010 0.000 2.615 620 D HA 0.501 5.140 4.640 -0.000 0.000 0.267 620 D C -3.071 173.200 176.300 -0.049 0.000 1.236 620 D CA -1.601 52.401 54.000 0.003 0.000 0.839 620 D CB 1.211 42.012 40.800 0.000 0.000 1.380 620 D HN 0.072 nan 8.370 nan 0.000 0.433 621 P HA -0.166 nan 4.420 nan 0.000 0.259 621 P C 0.622 177.752 177.300 -0.283 0.000 1.111 621 P CA 1.173 64.228 63.100 -0.075 0.000 0.758 621 P CB 0.066 31.736 31.700 -0.049 0.000 0.693 622 N N 1.627 119.958 118.700 -0.615 0.000 2.984 622 N HA -0.180 4.560 4.740 -0.000 0.000 0.199 622 N C 0.918 175.567 175.510 -1.435 0.000 0.934 622 N CA 2.001 54.276 53.050 -1.290 0.000 1.043 622 N CB -1.362 36.733 38.487 -0.653 0.000 1.015 622 N HN 0.686 nan 8.380 nan 0.000 0.557 623 G N 1.204 109.477 108.800 -0.877 0.000 2.720 623 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.293 623 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.293 623 G C 0.183 174.900 174.900 -0.304 0.000 1.256 623 G CA 0.512 45.300 45.100 -0.520 0.000 0.974 623 G HN 0.488 nan 8.290 nan 0.000 0.551 624 N N 2.210 120.747 118.700 -0.271 0.000 2.389 624 N HA 0.411 5.151 4.740 -0.000 0.000 0.237 624 N C 1.351 176.736 175.510 -0.208 0.000 1.148 624 N CA 0.182 53.132 53.050 -0.167 0.000 0.854 624 N CB -0.172 38.256 38.487 -0.100 0.000 1.115 624 N HN 0.942 nan 8.380 nan 0.000 0.492 625 I N -3.462 116.944 120.570 -0.274 0.000 4.908 625 I HA -0.500 3.670 4.170 -0.000 0.000 0.038 625 I C 1.189 177.156 176.117 -0.250 0.000 0.635 625 I CA 2.105 63.233 61.300 -0.287 0.000 0.204 625 I CB -1.537 36.279 38.000 -0.306 0.000 0.319 625 I HN 0.153 nan 8.210 nan 0.000 0.151 626 T N -1.680 112.710 114.554 -0.272 0.000 3.764 626 T HA 0.271 4.621 4.350 -0.000 0.000 0.300 626 T C -0.161 174.464 174.700 -0.126 0.000 0.943 626 T CA 0.661 62.668 62.100 -0.154 0.000 1.151 626 T CB -0.554 68.268 68.868 -0.076 0.000 1.116 626 T HN 1.643 nan 8.240 nan 0.000 0.483 627 H N -1.095 117.816 119.070 -0.264 0.000 2.981 627 H HA 0.497 5.053 4.556 -0.000 0.000 0.327 627 H C -2.061 173.071 175.328 -0.327 0.000 1.342 627 H CA -0.830 55.058 56.048 -0.267 0.000 1.123 627 H CB 0.449 30.166 29.762 -0.076 0.000 1.851 627 H HN 0.365 nan 8.280 nan 0.000 0.531 628 Y N 0.453 120.908 120.300 0.259 0.000 2.409 628 Y HA 0.374 4.924 4.550 -0.000 0.000 0.339 628 Y C -0.205 175.830 175.900 0.225 0.000 1.033 628 Y CA -1.260 56.907 58.100 0.112 0.000 1.094 628 Y CB 2.166 40.660 38.460 0.056 0.000 1.210 628 Y HN 0.298 nan 8.280 nan 0.000 0.456 629 L N 4.158 125.543 121.223 0.271 0.000 2.360 629 L HA 0.386 4.726 4.340 -0.000 0.000 0.265 629 L C -0.927 176.083 176.870 0.233 0.000 1.066 629 L CA -0.523 54.496 54.840 0.298 0.000 0.929 629 L CB 0.250 42.459 42.059 0.250 0.000 1.306 629 L HN 0.416 nan 8.230 nan 0.000 0.434 630 V N 5.162 125.242 119.914 0.277 0.000 2.405 630 V HA 0.244 4.364 4.120 -0.000 0.000 0.264 630 V C 0.360 176.817 176.094 0.605 0.000 1.048 630 V CA -0.242 62.221 62.300 0.271 0.000 0.966 630 V CB -0.012 31.905 31.823 0.155 0.000 1.015 630 V HN 0.301 nan 8.190 nan 0.000 0.477 631 F N 4.245 124.242 119.950 0.079 0.000 2.410 631 F HA 0.848 5.375 4.527 -0.000 0.000 0.324 631 F C -0.010 175.810 175.800 0.032 0.000 1.093 631 F CA -1.757 56.151 58.000 -0.154 0.000 1.028 631 F CB 1.670 40.491 39.000 -0.298 0.000 1.309 631 F HN 0.697 nan 8.300 nan 0.000 0.499 632 W N 0.486 121.657 121.300 -0.215 0.000 4.071 632 W HA 0.562 5.222 4.660 -0.000 0.000 0.274 632 W C -2.077 174.365 176.519 -0.128 0.000 1.278 632 W CA -0.873 56.417 57.345 -0.092 0.000 1.258 632 W CB 0.336 29.765 29.460 -0.052 0.000 1.236 632 W HN 0.535 nan 8.180 nan 0.000 0.530 633 E N 2.764 123.080 120.200 0.194 0.000 2.288 633 E HA 0.443 4.793 4.350 -0.000 0.000 0.268 633 E C -0.859 175.981 176.600 0.401 0.000 0.885 633 E CA -1.457 55.043 56.400 0.167 0.000 0.767 633 E CB 2.077 31.779 29.700 0.003 0.000 1.220 633 E HN 0.633 nan 8.360 nan 0.000 0.427 634 R N 3.507 124.192 120.500 0.308 0.000 2.248 634 R HA 0.141 4.480 4.340 -0.000 0.000 0.328 634 R C -0.690 175.527 176.300 -0.138 0.000 1.067 634 R CA -0.162 55.872 56.100 -0.109 0.000 0.924 634 R CB 0.679 30.974 30.300 -0.009 0.000 1.013 634 R HN 0.408 nan 8.270 nan 0.000 0.454 635 Q N 3.449 123.117 119.800 -0.219 0.000 2.360 635 Q HA 0.264 4.604 4.340 -0.000 0.000 0.254 635 Q C -0.170 175.743 176.000 -0.145 0.000 0.975 635 Q CA -0.418 55.306 55.803 -0.131 0.000 0.912 635 Q CB 1.834 30.515 28.738 -0.096 0.000 1.212 635 Q HN 0.776 nan 8.270 nan 0.000 0.452 636 A N 3.423 126.185 122.820 -0.097 0.000 2.366 636 A HA 0.123 4.443 4.320 -0.000 0.000 0.250 636 A C 0.373 177.913 177.584 -0.072 0.000 1.099 636 A CA -0.289 51.700 52.037 -0.081 0.000 0.794 636 A CB 0.412 19.382 19.000 -0.050 0.000 1.056 636 A HN 0.604 nan 8.150 nan 0.000 0.499 637 E N -0.312 119.849 120.200 -0.065 0.000 2.345 637 E HA 0.231 4.581 4.350 -0.000 0.000 0.259 637 E C -0.165 176.408 176.600 -0.045 0.000 1.117 637 E CA -0.094 56.270 56.400 -0.061 0.000 0.913 637 E CB 0.578 30.233 29.700 -0.074 0.000 1.057 637 E HN 0.635 nan 8.360 nan 0.000 0.432 638 D N -0.430 119.946 120.400 -0.041 0.000 2.468 638 D HA 0.032 4.671 4.640 -0.000 0.000 0.243 638 D C 0.805 177.095 176.300 -0.017 0.000 0.994 638 D CA 0.794 54.779 54.000 -0.025 0.000 0.932 638 D CB 0.102 40.891 40.800 -0.018 0.000 1.078 638 D HN 0.429 nan 8.370 nan 0.000 0.473 639 S N -1.055 114.633 115.700 -0.019 0.000 3.576 639 S HA 0.125 4.594 4.470 -0.000 0.000 0.280 639 S C -0.770 173.829 174.600 -0.000 0.000 1.207 639 S CA 0.001 58.196 58.200 -0.010 0.000 1.725 639 S CB 0.089 63.295 63.200 0.009 0.000 1.452 639 S HN 0.605 nan 8.310 nan 0.000 0.296 640 E N 0.725 120.939 120.200 0.023 0.000 5.391 640 E HA -0.283 4.067 4.350 -0.000 0.000 0.186 640 E C -1.036 175.593 176.600 0.048 0.000 1.508 640 E CA 0.696 57.121 56.400 0.042 0.000 2.573 640 E CB -1.142 28.588 29.700 0.049 0.000 2.040 640 E HN 1.047 nan 8.360 nan 0.000 0.432 641 L N 1.405 122.667 121.223 0.065 0.000 2.317 641 L HA 0.421 4.761 4.340 -0.000 0.000 0.281 641 L C 0.908 177.852 176.870 0.123 0.000 1.024 641 L CA -0.585 54.296 54.840 0.069 0.000 0.810 641 L CB 0.867 42.954 42.059 0.048 0.000 1.240 641 L HN 0.684 nan 8.230 nan 0.000 0.427 642 F N 2.309 122.231 119.950 -0.047 0.000 2.009 642 F HA -0.203 4.324 4.527 -0.000 0.000 0.293 642 F C 1.541 177.327 175.800 -0.023 0.000 1.156 642 F CA 1.096 59.074 58.000 -0.038 0.000 1.168 642 F CB 0.320 39.287 39.000 -0.054 0.000 0.981 642 F HN 0.691 nan 8.300 nan 0.000 0.475 643 E N 2.412 122.317 120.200 -0.492 0.000 2.506 643 E HA 0.065 4.415 4.350 -0.000 0.000 0.210 643 E C -0.417 176.032 176.600 -0.252 0.000 1.325 643 E CA 0.080 56.140 56.400 -0.566 0.000 1.273 643 E CB -1.002 28.461 29.700 -0.395 0.000 1.276 643 E HN 0.165 nan 8.360 nan 0.000 0.442 644 L N 0.761 121.890 121.223 -0.158 0.000 1.183 644 L HA -0.219 4.120 4.340 -0.000 0.000 0.373 644 L C 0.854 177.726 176.870 0.004 0.000 1.004 644 L CA 0.595 55.407 54.840 -0.046 0.000 1.207 644 L CB -1.080 40.955 42.059 -0.041 0.000 0.240 644 L HN 0.402 nan 8.230 nan 0.000 0.259 645 D N 2.535 122.961 120.400 0.043 0.000 1.558 645 D HA -0.175 4.465 4.640 -0.000 0.000 0.238 645 D C 0.598 176.977 176.300 0.132 0.000 1.095 645 D CA 1.170 55.214 54.000 0.073 0.000 0.950 645 D CB 0.001 40.851 40.800 0.084 0.000 1.695 645 D HN 0.666 nan 8.370 nan 0.000 0.514 646 Y N -1.046 119.254 120.300 0.001 0.000 2.900 646 Y HA -0.280 4.270 4.550 -0.000 0.000 0.146 646 Y C 0.068 175.969 175.900 0.001 0.000 1.748 646 Y CA -0.697 57.403 58.100 0.000 0.000 0.997 646 Y CB -1.235 37.220 38.460 -0.007 0.000 1.596 646 Y HN 0.279 nan 8.280 nan 0.000 0.335 647 c N 6.773 125.223 118.600 -0.251 0.000 3.060 647 c HA 0.418 4.988 4.570 -0.000 0.000 0.409 647 c C 0.601 174.521 174.090 -0.284 0.000 1.128 647 c CA 0.457 56.668 56.329 -0.198 0.000 1.170 647 c CB -2.308 40.130 42.510 -0.120 0.000 1.762 647 c HN 0.654 nan 8.230 nan 0.000 0.586 648 L N 2.097 123.203 121.223 -0.195 0.000 5.111 648 L HA 0.171 4.511 4.340 -0.000 0.000 0.247 648 L C -0.341 176.562 176.870 0.055 0.000 1.105 648 L CA 0.087 54.861 54.840 -0.111 0.000 0.992 648 L CB 0.480 42.418 42.059 -0.202 0.000 1.726 648 L HN 0.324 nan 8.230 nan 0.000 0.430 649 K N 2.056 122.489 120.400 0.054 0.000 2.604 649 K HA 0.349 4.669 4.320 -0.000 0.000 0.201 649 K C 0.172 176.796 176.600 0.040 0.000 1.733 649 K CA 0.896 57.228 56.287 0.074 0.000 1.115 649 K CB 1.383 33.915 32.500 0.053 0.000 1.532 649 K HN 0.801 nan 8.250 nan 0.000 0.595 650 G N 0.367 109.182 108.800 0.025 0.000 3.359 650 G HA2 0.468 4.428 3.960 -0.000 0.000 0.187 650 G HA3 0.468 4.428 3.960 -0.000 0.000 0.187 650 G C 0.133 175.040 174.900 0.013 0.000 1.294 650 G CA 0.032 45.142 45.100 0.017 0.000 0.769 650 G HN 0.021 nan 8.290 nan 0.000 0.733 651 L N -2.010 119.219 121.223 0.010 0.000 1.509 651 L HA 0.502 4.842 4.340 -0.000 0.000 0.076 651 L C 0.313 177.184 176.870 0.002 0.000 1.566 651 L CA 0.617 55.459 54.840 0.002 0.000 1.065 651 L CB -0.257 41.803 42.059 0.002 0.000 2.100 651 L HN 0.791 nan 8.230 nan 0.000 0.434 652 K N -2.134 118.269 120.400 0.005 0.000 8.034 652 K HA -0.070 4.250 4.320 -0.000 0.000 0.201 652 K C -0.462 176.136 176.600 -0.003 0.000 1.603 652 K CA 0.522 56.812 56.287 0.005 0.000 0.929 652 K CB -1.062 31.442 32.500 0.006 0.000 0.413 652 K HN 0.186 nan 8.250 nan 0.000 0.417 653 L N -2.463 118.754 121.223 -0.010 0.000 1.978 653 L HA -0.133 4.207 4.340 -0.000 0.000 0.494 653 L C -1.743 175.122 176.870 -0.008 0.000 0.718 653 L CA 1.277 56.111 54.840 -0.011 0.000 3.193 653 L CB -3.594 38.460 42.059 -0.009 0.000 0.700 653 L HN 0.909 nan 8.230 nan 0.000 0.762 654 P HA -0.082 nan 4.420 nan 0.000 0.299 654 P C -0.508 176.791 177.300 -0.001 0.000 1.964 654 P CA 1.330 64.429 63.100 -0.003 0.000 1.757 654 P CB -0.109 31.588 31.700 -0.005 0.000 0.249 756 H N 1.753 120.872 119.070 0.081 0.000 2.538 756 H HA 0.296 4.852 4.556 -0.000 0.000 0.286 756 H C 0.317 175.659 175.328 0.022 0.000 1.035 756 H CA 1.211 57.282 56.048 0.039 0.000 1.169 756 H CB 0.171 29.945 29.762 0.020 0.000 1.417 756 H HN 0.083 nan 8.280 nan 0.000 0.567 757 R N -2.881 117.610 120.500 -0.015 0.000 4.162 757 R HA -0.051 4.289 4.340 -0.000 0.000 0.090 757 R C -2.692 173.645 176.300 0.062 0.000 0.333 757 R CA -0.370 55.708 56.100 -0.037 0.000 0.554 757 R CB -1.454 28.761 30.300 -0.142 0.000 1.063 757 R HN 0.171 nan 8.270 nan 0.000 0.541 758 P HA 0.429 nan 4.420 nan 0.000 0.287 758 P C -0.810 176.395 177.300 -0.158 0.000 1.292 758 P CA -0.440 62.685 63.100 0.041 0.000 0.879 758 P CB 0.830 32.528 31.700 -0.004 0.000 1.214 759 F N -0.628 119.119 119.950 -0.340 0.000 2.728 759 F HA 0.326 4.853 4.527 -0.000 0.000 0.314 759 F C -0.055 175.624 175.800 -0.201 0.000 1.094 759 F CA 0.186 57.844 58.000 -0.570 0.000 1.217 759 F CB 0.793 39.063 39.000 -1.216 0.000 1.056 759 F HN 0.320 nan 8.300 nan 0.000 0.577 760 E N 0.754 121.012 120.200 0.096 0.000 4.494 760 E HA 0.071 4.421 4.350 -0.000 0.000 0.391 760 E C -1.627 175.088 176.600 0.192 0.000 1.076 760 E CA -0.118 56.398 56.400 0.192 0.000 0.781 760 E CB -0.069 29.905 29.700 0.456 0.000 1.201 760 E HN 0.064 nan 8.360 nan 0.000 0.576 761 K N 3.531 123.976 120.400 0.076 0.000 2.296 761 K HA 0.379 4.699 4.320 -0.000 0.000 0.257 761 K C -0.612 176.055 176.600 0.112 0.000 1.088 761 K CA -0.732 55.566 56.287 0.018 0.000 0.980 761 K CB 1.211 33.517 32.500 -0.323 0.000 1.430 761 K HN 0.255 nan 8.250 nan 0.000 0.441 762 V N 4.222 124.296 119.914 0.267 0.000 2.479 762 V HA 0.055 4.175 4.120 -0.000 0.000 0.281 762 V C 0.223 176.477 176.094 0.267 0.000 1.031 762 V CA -0.464 62.028 62.300 0.320 0.000 1.038 762 V CB 0.415 32.577 31.823 0.566 0.000 0.981 762 V HN 0.363 nan 8.190 nan 0.000 0.478 763 V N 2.671 122.682 119.914 0.161 0.000 2.588 763 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 763 V C 0.402 176.535 176.094 0.065 0.000 1.042 763 V CA -0.928 61.428 62.300 0.093 0.000 0.877 763 V CB 1.462 33.319 31.823 0.058 0.000 0.996 763 V HN 0.738 nan 8.190 nan 0.000 0.425 764 N N 1.029 119.748 118.700 0.032 0.000 2.936 764 N HA -0.185 4.555 4.740 -0.000 0.000 0.236 764 N C -0.179 175.346 175.510 0.026 0.000 0.930 764 N CA 1.597 54.657 53.050 0.017 0.000 0.966 764 N CB -0.752 37.742 38.487 0.012 0.000 1.090 764 N HN 0.918 nan 8.380 nan 0.000 0.592 765 K N 0.683 121.122 120.400 0.066 0.000 2.482 765 K HA 0.185 4.505 4.320 -0.000 0.000 0.251 765 K C -0.130 176.489 176.600 0.031 0.000 0.936 765 K CA -0.538 55.762 56.287 0.021 0.000 0.791 765 K CB 1.501 34.009 32.500 0.013 0.000 1.213 765 K HN 0.008 nan 8.250 nan 0.000 0.428 766 E N 1.390 121.453 120.200 -0.228 0.000 2.338 766 E HA 0.086 4.435 4.350 -0.000 0.000 0.231 766 E C -0.648 174.945 176.600 -1.677 0.000 1.231 766 E CA -0.313 55.606 56.400 -0.801 0.000 1.490 766 E CB 0.538 29.874 29.700 -0.606 0.000 1.360 766 E HN 0.316 nan 8.360 nan 0.000 0.435 767 S N 0.691 115.722 115.700 -1.115 0.000 2.582 767 S HA 0.466 4.935 4.470 -0.000 0.000 0.287 767 S C -1.651 172.932 174.600 -0.029 0.000 1.146 767 S CA -0.908 56.882 58.200 -0.683 0.000 0.941 767 S CB 0.864 63.841 63.200 -0.371 0.000 1.115 767 S HN 0.388 nan 8.310 nan 0.000 0.458 768 L N 5.245 126.658 121.223 0.318 0.000 2.362 768 L HA 0.928 5.268 4.340 -0.000 0.000 0.271 768 L C -1.198 175.737 176.870 0.109 0.000 1.002 768 L CA -0.749 54.242 54.840 0.252 0.000 0.818 768 L CB 2.051 44.321 42.059 0.351 0.000 1.298 768 L HN 0.532 nan 8.230 nan 0.000 0.420 769 V N 3.414 123.341 119.914 0.021 0.000 2.284 769 V HA 0.391 4.510 4.120 -0.000 0.000 0.274 769 V C 0.481 176.499 176.094 -0.128 0.000 1.023 769 V CA -0.601 61.672 62.300 -0.045 0.000 0.808 769 V CB 0.554 32.354 31.823 -0.038 0.000 1.035 769 V HN 0.635 nan 8.190 nan 0.000 0.445 770 I N 4.433 124.865 120.570 -0.231 0.000 2.849 770 I HA -0.011 4.159 4.170 -0.000 0.000 0.288 770 I C 1.285 177.201 176.117 -0.334 0.000 1.156 770 I CA 0.668 61.697 61.300 -0.452 0.000 1.394 770 I CB -0.223 37.348 38.000 -0.715 0.000 1.462 770 I HN 0.804 nan 8.210 nan 0.000 0.587 771 S N 4.794 120.349 115.700 -0.241 0.000 2.586 771 S HA 0.078 4.548 4.470 -0.000 0.000 0.256 771 S C 1.073 175.581 174.600 -0.153 0.000 1.392 771 S CA -0.386 57.725 58.200 -0.148 0.000 0.983 771 S CB 0.092 63.236 63.200 -0.093 0.000 0.897 771 S HN 0.771 nan 8.310 nan 0.000 0.566 772 G N -0.939 107.813 108.800 -0.080 0.000 2.707 772 G HA2 0.292 4.252 3.960 -0.000 0.000 0.231 772 G HA3 0.292 4.252 3.960 -0.000 0.000 0.231 772 G C 0.067 174.945 174.900 -0.037 0.000 1.246 772 G CA -0.003 45.072 45.100 -0.042 0.000 0.852 772 G HN 0.558 nan 8.290 nan 0.000 0.584 773 L N -0.282 120.948 121.223 0.012 0.000 1.383 773 L HA 0.427 4.767 4.340 -0.000 0.000 0.087 773 L C 0.124 177.085 176.870 0.153 0.000 1.492 773 L CA 0.632 55.512 54.840 0.066 0.000 1.115 773 L CB -0.460 41.596 42.059 -0.005 0.000 2.265 773 L HN 0.753 nan 8.230 nan 0.000 0.448 774 R N 0.443 121.070 120.500 0.211 0.000 2.584 774 R HA 0.438 4.778 4.340 -0.000 0.000 0.276 774 R C -0.835 175.615 176.300 0.250 0.000 1.046 774 R CA -0.470 55.778 56.100 0.247 0.000 0.906 774 R CB 0.772 31.223 30.300 0.252 0.000 1.215 774 R HN 0.456 nan 8.270 nan 0.000 0.449 775 H N 2.805 121.963 119.070 0.147 0.000 2.546 775 H HA 0.255 4.811 4.556 -0.000 0.000 0.365 775 H C -0.233 175.214 175.328 0.199 0.000 1.220 775 H CA -0.209 55.927 56.048 0.148 0.000 1.386 775 H CB 0.461 30.300 29.762 0.128 0.000 1.510 775 H HN 0.758 nan 8.280 nan 0.000 0.591 776 F N 0.802 120.745 119.950 -0.011 0.000 2.642 776 F HA -0.260 4.267 4.527 -0.000 0.000 0.200 776 F C -0.897 174.798 175.800 -0.176 0.000 1.041 776 F CA 1.619 59.560 58.000 -0.098 0.000 0.851 776 F CB -0.774 38.176 39.000 -0.083 0.000 0.727 776 F HN 0.770 nan 8.300 nan 0.000 0.848 777 T N 0.724 115.227 114.554 -0.084 0.000 2.932 777 T HA 0.591 4.941 4.350 -0.000 0.000 0.318 777 T C 0.161 174.690 174.700 -0.284 0.000 1.265 777 T CA -0.292 61.695 62.100 -0.188 0.000 1.036 777 T CB 1.720 70.424 68.868 -0.273 0.000 1.209 777 T HN 0.457 nan 8.240 nan 0.000 0.484 778 G N 0.815 109.427 108.800 -0.313 0.000 2.356 778 G HA2 0.598 4.557 3.960 -0.000 0.000 0.298 778 G HA3 0.598 4.557 3.960 -0.000 0.000 0.298 778 G C -1.511 173.190 174.900 -0.331 0.000 1.145 778 G CA -0.290 44.676 45.100 -0.223 0.000 0.850 778 G HN 0.591 nan 8.290 nan 0.000 0.487 779 Y N 1.088 121.394 120.300 0.010 0.000 2.409 779 Y HA 0.507 5.057 4.550 -0.000 0.000 0.343 779 Y C 0.451 176.391 175.900 0.067 0.000 0.973 779 Y CA -1.102 57.037 58.100 0.064 0.000 1.064 779 Y CB 2.118 40.642 38.460 0.108 0.000 1.207 779 Y HN 0.241 nan 8.280 nan 0.000 0.452 780 R N 4.774 125.412 120.500 0.231 0.000 2.215 780 R HA 0.367 4.706 4.340 -0.000 0.000 0.336 780 R C -0.769 175.657 176.300 0.210 0.000 0.996 780 R CA -0.590 55.607 56.100 0.162 0.000 0.847 780 R CB 0.055 30.405 30.300 0.083 0.000 1.127 780 R HN 0.701 nan 8.270 nan 0.000 0.465 781 I N -0.100 120.590 120.570 0.201 0.000 2.488 781 I HA 0.372 4.541 4.170 -0.000 0.000 0.299 781 I C 0.781 176.977 176.117 0.132 0.000 0.984 781 I CA -0.394 61.023 61.300 0.194 0.000 1.250 781 I CB 1.814 39.909 38.000 0.158 0.000 1.389 781 I HN 0.538 nan 8.210 nan 0.000 0.488 782 E N 3.334 123.563 120.200 0.049 0.000 2.083 782 E HA 0.127 4.477 4.350 -0.000 0.000 0.193 782 E C 0.039 176.399 176.600 -0.400 0.000 0.950 782 E CA 0.016 56.286 56.400 -0.218 0.000 0.849 782 E CB 0.348 29.860 29.700 -0.312 0.000 0.827 782 E HN 0.590 nan 8.360 nan 0.000 0.465 783 L N 1.862 122.898 121.223 -0.311 0.000 3.291 783 L HA -0.209 4.131 4.340 -0.000 0.000 0.659 783 L C -1.351 175.256 176.870 -0.438 0.000 1.042 783 L CA 0.841 55.429 54.840 -0.420 0.000 1.256 783 L CB -0.989 40.739 42.059 -0.551 0.000 1.596 783 L HN 0.210 nan 8.230 nan 0.000 0.819 784 Q N 2.429 122.032 119.800 -0.327 0.000 2.195 784 Q HA 0.906 5.246 4.340 -0.000 0.000 0.250 784 Q C -0.081 175.866 176.000 -0.088 0.000 0.988 784 Q CA -0.353 55.300 55.803 -0.250 0.000 0.911 784 Q CB 1.668 30.261 28.738 -0.243 0.000 1.258 784 Q HN 0.876 nan 8.270 nan 0.000 0.475 785 A N 0.515 123.314 122.820 -0.036 0.000 2.342 785 A HA 0.695 5.015 4.320 -0.000 0.000 0.323 785 A C -1.036 176.475 177.584 -0.121 0.000 1.125 785 A CA -0.518 51.579 52.037 0.100 0.000 0.785 785 A CB 0.751 19.872 19.000 0.201 0.000 1.221 785 A HN 0.777 nan 8.150 nan 0.000 0.463 786 c N 1.569 119.987 118.600 -0.304 0.000 2.634 786 c HA 0.531 5.101 4.570 -0.000 0.000 0.313 786 c C 1.146 175.017 174.090 -0.364 0.000 1.198 786 c CA -0.831 55.269 56.329 -0.382 0.000 1.605 786 c CB 1.640 43.799 42.510 -0.586 0.000 2.196 786 c HN 0.951 nan 8.230 nan 0.000 0.486 787 N N 1.171 119.718 118.700 -0.255 0.000 2.235 787 N HA 0.068 4.808 4.740 -0.000 0.000 0.209 787 N C -0.207 175.205 175.510 -0.164 0.000 1.122 787 N CA 0.068 52.981 53.050 -0.229 0.000 0.845 787 N CB 0.769 39.124 38.487 -0.220 0.000 1.004 787 N HN 0.947 nan 8.380 nan 0.000 0.499 788 Q N -0.601 119.113 119.800 -0.143 0.000 2.805 788 Q HA 0.065 4.404 4.340 -0.000 0.000 0.257 788 Q C -1.944 174.070 176.000 0.024 0.000 0.977 788 Q CA -0.528 55.247 55.803 -0.046 0.000 0.901 788 Q CB 0.989 29.712 28.738 -0.025 0.000 1.778 788 Q HN -0.115 nan 8.270 nan 0.000 0.441 789 D N 0.665 121.119 120.400 0.090 0.000 2.526 789 D HA 0.068 4.708 4.640 -0.000 0.000 0.293 789 D C 0.991 177.331 176.300 0.067 0.000 1.081 789 D CA 2.013 56.103 54.000 0.149 0.000 0.924 789 D CB 0.474 41.387 40.800 0.189 0.000 1.498 789 D HN 0.705 nan 8.370 nan 0.000 0.497 790 T N 0.768 115.348 114.554 0.044 0.000 2.413 790 T HA -0.077 4.273 4.350 -0.000 0.000 0.244 790 T C -1.538 173.175 174.700 0.022 0.000 1.300 790 T CA 1.084 63.199 62.100 0.026 0.000 1.251 790 T CB -2.199 66.683 68.868 0.023 0.000 0.865 790 T HN 0.145 nan 8.240 nan 0.000 0.395 791 P HA 0.254 nan 4.420 nan 0.000 0.245 791 P C -0.055 177.256 177.300 0.018 0.000 1.670 791 P CA 0.416 63.527 63.100 0.019 0.000 1.146 791 P CB -1.150 30.563 31.700 0.021 0.000 1.954 792 E N 0.101 120.312 120.200 0.018 0.000 8.951 792 E HA -0.171 4.179 4.350 -0.000 0.000 0.467 792 E C -0.293 176.324 176.600 0.028 0.000 1.277 792 E CA 0.477 56.889 56.400 0.020 0.000 2.218 792 E CB -0.119 29.591 29.700 0.016 0.000 1.018 792 E HN 0.492 nan 8.360 nan 0.000 0.336 793 E N 1.036 121.257 120.200 0.035 0.000 2.383 793 E HA 0.176 4.526 4.350 -0.000 0.000 0.264 793 E C 0.323 176.925 176.600 0.003 0.000 1.050 793 E CA 0.073 56.498 56.400 0.042 0.000 0.896 793 E CB 0.889 30.628 29.700 0.066 0.000 0.982 793 E HN 0.263 nan 8.360 nan 0.000 0.424 794 R N 2.434 122.918 120.500 -0.027 0.000 2.718 794 R HA 0.242 4.582 4.340 -0.000 0.000 0.266 794 R C -1.090 175.151 176.300 -0.098 0.000 1.776 794 R CA -0.235 55.830 56.100 -0.059 0.000 1.567 794 R CB -0.178 30.085 30.300 -0.062 0.000 1.336 794 R HN 0.524 nan 8.270 nan 0.000 0.619 795 c N -0.163 118.382 118.600 -0.091 0.000 2.576 795 c HA 0.708 5.278 4.570 -0.000 0.000 0.394 795 c C 0.859 174.880 174.090 -0.115 0.000 1.876 795 c CA -0.476 55.783 56.329 -0.117 0.000 1.858 795 c CB 1.436 43.883 42.510 -0.104 0.000 1.943 795 c HN 0.777 nan 8.230 nan 0.000 0.479 796 S N -0.828 114.799 115.700 -0.120 0.000 2.715 796 S HA 0.543 5.013 4.470 -0.000 0.000 0.307 796 S C -0.685 173.836 174.600 -0.131 0.000 1.119 796 S CA -0.495 57.636 58.200 -0.114 0.000 0.937 796 S CB 1.113 64.253 63.200 -0.099 0.000 1.150 796 S HN 1.011 nan 8.310 nan 0.000 0.521 797 V N 2.510 122.354 119.914 -0.116 0.000 2.458 797 V HA 0.479 4.598 4.120 -0.000 0.000 0.287 797 V C 0.842 176.819 176.094 -0.195 0.000 1.009 797 V CA 0.257 62.484 62.300 -0.122 0.000 1.091 797 V CB -0.692 31.083 31.823 -0.080 0.000 0.960 797 V HN 1.202 nan 8.190 nan 0.000 0.476 798 A N 6.100 128.748 122.820 -0.286 0.000 2.520 798 A HA 0.571 4.891 4.320 -0.000 0.000 0.235 798 A C 0.576 177.811 177.584 -0.583 0.000 1.065 798 A CA 0.401 52.115 52.037 -0.538 0.000 0.764 798 A CB 0.234 18.733 19.000 -0.834 0.000 1.002 798 A HN 2.077 nan 8.150 nan 0.000 0.502 799 A N 2.268 124.740 122.820 -0.581 0.000 2.293 799 A HA 0.616 4.935 4.320 -0.000 0.000 0.312 799 A C -0.776 176.560 177.584 -0.414 0.000 1.309 799 A CA -0.454 51.357 52.037 -0.377 0.000 0.839 799 A CB 0.079 18.935 19.000 -0.240 0.000 1.155 799 A HN 0.676 nan 8.150 nan 0.000 0.501 800 Y N 1.072 121.322 120.300 -0.083 0.000 2.304 800 Y HA 0.542 5.092 4.550 -0.000 0.000 0.327 800 Y C 0.619 176.494 175.900 -0.043 0.000 1.209 800 Y CA -0.021 58.040 58.100 -0.065 0.000 1.299 800 Y CB 1.441 39.867 38.460 -0.056 0.000 1.249 800 Y HN 0.571 nan 8.280 nan 0.000 0.519 801 V N 1.396 121.392 119.914 0.137 0.000 3.225 801 V HA 0.710 4.829 4.120 -0.000 0.000 0.293 801 V C -1.123 175.024 176.094 0.088 0.000 1.405 801 V CA -0.241 62.107 62.300 0.081 0.000 1.038 801 V CB 2.262 34.109 31.823 0.040 0.000 1.123 801 V HN 0.943 nan 8.190 nan 0.000 0.447 802 S N 3.224 118.963 115.700 0.065 0.000 2.740 802 S HA 1.059 5.529 4.470 -0.000 0.000 0.300 802 S C -0.520 174.111 174.600 0.051 0.000 1.147 802 S CA -0.142 58.099 58.200 0.069 0.000 0.871 802 S CB 1.975 65.201 63.200 0.043 0.000 1.173 802 S HN 2.677 nan 8.310 nan 0.000 0.510 803 A N 0.340 123.193 122.820 0.055 0.000 2.586 803 A HA 0.722 5.042 4.320 -0.000 0.000 0.296 803 A C -1.295 176.300 177.584 0.018 0.000 1.040 803 A CA -0.785 51.267 52.037 0.026 0.000 0.701 803 A CB 1.111 20.131 19.000 0.032 0.000 1.277 803 A HN 1.081 nan 8.150 nan 0.000 0.413 804 R N 0.884 121.344 120.500 -0.066 0.000 2.494 804 R HA 0.690 5.030 4.340 -0.000 0.000 0.305 804 R C 0.205 176.392 176.300 -0.188 0.000 0.959 804 R CA 0.525 56.530 56.100 -0.158 0.000 0.864 804 R CB 1.091 31.212 30.300 -0.297 0.000 1.159 804 R HN 1.007 nan 8.270 nan 0.000 0.446 805 T N 2.586 117.065 114.554 -0.126 0.000 2.860 805 T HA 0.231 4.581 4.350 -0.000 0.000 0.299 805 T C 1.086 175.670 174.700 -0.194 0.000 1.045 805 T CA -0.607 61.447 62.100 -0.078 0.000 1.071 805 T CB 0.407 69.316 68.868 0.069 0.000 0.985 805 T HN 0.486 nan 8.240 nan 0.000 0.537 806 M N 1.932 121.499 119.600 -0.055 0.000 2.036 806 M HA 0.324 4.804 4.480 -0.000 0.000 0.276 806 M C -2.112 174.326 176.300 0.230 0.000 1.262 806 M CA -1.546 53.761 55.300 0.012 0.000 1.097 806 M CB -0.281 32.344 32.600 0.042 0.000 1.386 806 M HN 0.499 nan 8.290 nan 0.000 0.482 807 P HA 0.537 nan 4.420 nan 0.000 0.296 807 P C -1.847 175.566 177.300 0.189 0.000 1.297 807 P CA -0.670 62.695 63.100 0.442 0.000 0.947 807 P CB 1.824 33.827 31.700 0.505 0.000 1.366 808 E N -0.775 119.484 120.200 0.099 0.000 2.356 808 E HA 0.571 4.920 4.350 -0.000 0.000 0.275 808 E C -0.811 175.780 176.600 -0.015 0.000 0.904 808 E CA -1.171 55.222 56.400 -0.011 0.000 0.757 808 E CB 2.195 31.819 29.700 -0.126 0.000 1.232 808 E HN 0.480 nan 8.360 nan 0.000 0.442 809 A N 3.209 126.023 122.820 -0.010 0.000 2.580 809 A HA 0.019 4.339 4.320 -0.000 0.000 0.244 809 A C -0.205 177.373 177.584 -0.010 0.000 1.045 809 A CA 0.842 52.875 52.037 -0.006 0.000 0.761 809 A CB 0.054 19.055 19.000 0.001 0.000 0.962 809 A HN 0.374 nan 8.150 nan 0.000 0.512 810 K N 1.000 121.396 120.400 -0.007 0.000 2.523 810 K HA 0.680 5.000 4.320 -0.000 0.000 0.257 810 K C -0.023 176.581 176.600 0.006 0.000 0.932 810 K CA 0.124 56.414 56.287 0.005 0.000 0.812 810 K CB 2.384 34.892 32.500 0.012 0.000 1.326 810 K HN 0.897 nan 8.250 nan 0.000 0.433 811 A N 1.862 124.701 122.820 0.032 0.000 2.588 811 A HA 0.535 4.855 4.320 -0.000 0.000 0.172 811 A C -1.138 176.501 177.584 0.091 0.000 1.149 811 A CA 0.050 52.112 52.037 0.042 0.000 1.987 811 A CB 0.561 19.582 19.000 0.036 0.000 2.500 811 A HN 0.595 nan 8.150 nan 0.000 0.982 812 D N -0.734 119.725 120.400 0.098 0.000 2.812 812 D HA 0.547 5.187 4.640 -0.000 0.000 0.318 812 D C -2.209 174.156 176.300 0.107 0.000 1.234 812 D CA 0.313 54.392 54.000 0.130 0.000 0.989 812 D CB 1.697 42.604 40.800 0.178 0.000 1.442 812 D HN 0.555 nan 8.370 nan 0.000 0.537 813 D N 0.655 121.125 120.400 0.117 0.000 2.548 813 D HA 0.402 5.042 4.640 -0.000 0.000 0.214 813 D C 0.562 176.920 176.300 0.097 0.000 1.345 813 D CA -0.506 53.550 54.000 0.092 0.000 0.945 813 D CB 0.554 41.398 40.800 0.074 0.000 1.499 813 D HN 0.755 nan 8.370 nan 0.000 0.579 814 I N -1.665 118.958 120.570 0.088 0.000 9.171 814 I HA -0.228 3.942 4.170 -0.000 0.000 0.126 814 I C -1.341 174.845 176.117 0.115 0.000 1.867 814 I CA -0.172 61.179 61.300 0.085 0.000 2.042 814 I CB -0.598 37.443 38.000 0.069 0.000 3.965 814 I HN 0.256 nan 8.210 nan 0.000 0.171 815 V N 2.654 122.630 119.914 0.102 0.000 7.024 815 V HA 0.973 5.093 4.120 -0.000 0.000 0.231 815 V C 1.070 177.235 176.094 0.118 0.000 1.639 815 V CA 0.132 62.510 62.300 0.129 0.000 0.732 815 V CB 0.536 32.411 31.823 0.087 0.000 1.808 815 V HN 2.013 nan 8.190 nan 0.000 0.333 816 G N 2.094 110.949 108.800 0.091 0.000 2.409 816 G HA2 0.112 4.072 3.960 -0.000 0.000 0.231 816 G HA3 0.112 4.072 3.960 -0.000 0.000 0.231 816 G C -3.104 171.835 174.900 0.065 0.000 3.185 816 G CA -0.415 44.730 45.100 0.075 0.000 0.941 816 G HN 0.458 nan 8.290 nan 0.000 0.556 817 P HA 0.246 nan 4.420 nan 0.000 0.266 817 P C 1.085 178.377 177.300 -0.013 0.000 1.586 817 P CA -0.259 62.805 63.100 -0.061 0.000 1.088 817 P CB 1.661 33.251 31.700 -0.184 0.000 1.584 818 V N 3.252 123.187 119.914 0.035 0.000 2.982 818 V HA -0.174 3.946 4.120 -0.000 0.000 0.265 818 V C 1.473 177.562 176.094 -0.008 0.000 1.122 818 V CA 2.324 64.622 62.300 -0.004 0.000 1.143 818 V CB -1.554 30.241 31.823 -0.047 0.000 0.726 818 V HN 0.769 nan 8.190 nan 0.000 0.507 819 T N 1.060 115.626 114.554 0.020 0.000 3.479 819 T HA -0.309 4.041 4.350 -0.000 0.000 0.396 819 T C 0.398 175.142 174.700 0.074 0.000 0.768 819 T CA 0.833 62.950 62.100 0.029 0.000 1.954 819 T CB -1.943 66.929 68.868 0.006 0.000 1.731 819 T HN 0.827 nan 8.240 nan 0.000 0.661 820 H N 1.498 120.591 119.070 0.038 0.000 3.187 820 H HA -0.093 4.463 4.556 -0.000 0.000 0.321 820 H C 0.642 175.991 175.328 0.036 0.000 1.035 820 H CA 1.606 57.677 56.048 0.037 0.000 1.293 820 H CB 0.536 30.340 29.762 0.071 0.000 1.172 820 H HN 0.583 nan 8.280 nan 0.000 0.603 821 E N 4.758 125.125 120.200 0.278 0.000 2.597 821 E HA 0.097 4.446 4.350 -0.000 0.000 0.235 821 E C 0.356 177.086 176.600 0.216 0.000 1.155 821 E CA -0.623 55.872 56.400 0.157 0.000 1.199 821 E CB 0.063 29.755 29.700 -0.013 0.000 1.409 821 E HN 0.300 nan 8.360 nan 0.000 0.453 822 I N 1.794 122.508 120.570 0.240 0.000 2.906 822 I HA -0.052 4.117 4.170 -0.000 0.000 0.312 822 I C 0.345 176.659 176.117 0.328 0.000 1.169 822 I CA 0.182 61.632 61.300 0.250 0.000 2.267 822 I CB -2.049 36.057 38.000 0.176 0.000 1.624 822 I HN 0.409 nan 8.210 nan 0.000 1.067 823 F N 1.672 121.671 119.950 0.083 0.000 3.105 823 F HA -0.395 4.132 4.527 -0.000 0.000 0.280 823 F C 1.075 176.911 175.800 0.062 0.000 0.894 823 F CA 1.492 59.529 58.000 0.061 0.000 0.992 823 F CB -0.626 38.402 39.000 0.046 0.000 1.047 823 F HN 0.586 nan 8.300 nan 0.000 0.607 824 E N -1.407 118.882 120.200 0.149 0.000 0.358 824 E HA 0.031 4.381 4.350 -0.000 0.000 0.134 824 E C 0.148 176.829 176.600 0.135 0.000 2.535 824 E CA 0.405 56.877 56.400 0.121 0.000 1.503 824 E CB -0.839 28.942 29.700 0.135 0.000 0.361 824 E HN 0.111 nan 8.360 nan 0.000 0.903 825 N N -0.114 118.675 118.700 0.149 0.000 2.235 825 N HA 0.232 4.971 4.740 -0.000 0.000 0.267 825 N C 0.408 176.031 175.510 0.189 0.000 1.298 825 N CA 0.760 53.912 53.050 0.171 0.000 0.936 825 N CB -0.042 38.566 38.487 0.202 0.000 1.035 825 N HN 0.498 nan 8.380 nan 0.000 0.451 826 N N -1.815 117.023 118.700 0.230 0.000 1.857 826 N HA -0.239 4.501 4.740 -0.000 0.000 0.208 826 N C -0.634 175.024 175.510 0.248 0.000 0.803 826 N CA 0.699 53.875 53.050 0.209 0.000 1.346 826 N CB -1.015 37.559 38.487 0.145 0.000 1.633 826 N HN 0.297 nan 8.380 nan 0.000 0.392 827 V N 1.294 121.314 119.914 0.178 0.000 3.388 827 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 827 V C 0.398 176.624 176.094 0.219 0.000 1.160 827 V CA 0.736 63.142 62.300 0.176 0.000 1.277 827 V CB 1.117 32.991 31.823 0.086 0.000 1.018 827 V HN 0.351 nan 8.190 nan 0.000 0.504 828 V N 4.667 124.704 119.914 0.204 0.000 2.886 828 V HA 0.220 4.340 4.120 -0.000 0.000 0.368 828 V C 0.065 176.243 176.094 0.141 0.000 1.313 828 V CA -0.001 62.384 62.300 0.142 0.000 1.491 828 V CB -0.504 31.397 31.823 0.130 0.000 1.345 828 V HN 1.175 nan 8.190 nan 0.000 0.646 829 H N 1.668 120.810 119.070 0.120 0.000 3.243 829 H HA 0.101 4.657 4.556 -0.000 0.000 0.267 829 H C -0.091 175.287 175.328 0.083 0.000 0.875 829 H CA 0.387 56.509 56.048 0.123 0.000 1.413 829 H CB 0.359 30.229 29.762 0.179 0.000 1.459 829 H HN 0.341 nan 8.280 nan 0.000 0.536 830 L N 5.213 126.442 121.223 0.009 0.000 2.448 830 L HA 0.492 4.832 4.340 -0.000 0.000 0.258 830 L C -0.077 176.943 176.870 0.251 0.000 1.104 830 L CA -0.249 54.676 54.840 0.141 0.000 0.800 830 L CB 1.185 43.336 42.059 0.153 0.000 1.241 830 L HN 0.830 nan 8.230 nan 0.000 0.472 831 M N 0.579 120.418 119.600 0.398 0.000 2.471 831 M HA 0.444 4.924 4.480 -0.000 0.000 0.284 831 M C -1.798 174.821 176.300 0.532 0.000 1.203 831 M CA -0.537 54.959 55.300 0.326 0.000 0.915 831 M CB 2.224 34.933 32.600 0.182 0.000 1.734 831 M HN 0.754 nan 8.290 nan 0.000 0.485 832 W N 0.022 121.290 121.300 -0.054 0.000 2.926 832 W HA 0.491 5.150 4.660 -0.000 0.000 0.361 832 W C -1.982 174.495 176.519 -0.070 0.000 1.195 832 W CA -0.894 56.416 57.345 -0.058 0.000 1.177 832 W CB 0.680 30.101 29.460 -0.066 0.000 1.453 832 W HN 0.574 nan 8.180 nan 0.000 0.571 833 Q N 2.144 122.025 119.800 0.134 0.000 2.307 833 Q HA 0.060 4.400 4.340 -0.000 0.000 0.259 833 Q C -0.081 175.919 176.000 0.000 0.000 0.998 833 Q CA -0.356 55.462 55.803 0.025 0.000 0.923 833 Q CB 1.291 30.081 28.738 0.088 0.000 1.196 833 Q HN 0.299 nan 8.270 nan 0.000 0.416 834 E N 4.615 124.755 120.200 -0.099 0.000 2.406 834 E HA -0.024 4.326 4.350 -0.000 0.000 0.247 834 E C -1.668 174.986 176.600 0.090 0.000 1.160 834 E CA -1.412 54.978 56.400 -0.017 0.000 0.950 834 E CB 0.560 30.219 29.700 -0.068 0.000 0.993 834 E HN 0.374 nan 8.360 nan 0.000 0.472 835 P HA -0.256 nan 4.420 nan 0.000 0.221 835 P C 0.351 177.717 177.300 0.110 0.000 1.145 835 P CA 1.094 64.286 63.100 0.154 0.000 0.812 835 P CB 0.271 32.080 31.700 0.183 0.000 0.755 836 K N -3.040 117.419 120.400 0.099 0.000 7.576 836 K HA -0.165 4.154 4.320 -0.000 0.000 0.483 836 K C -0.198 176.458 176.600 0.094 0.000 0.367 836 K CA 2.272 58.606 56.287 0.079 0.000 1.965 836 K CB -1.648 30.893 32.500 0.068 0.000 0.620 836 K HN 0.477 nan 8.250 nan 0.000 0.853 837 E N -0.384 119.877 120.200 0.102 0.000 2.406 837 E HA 0.269 4.619 4.350 -0.000 0.000 0.299 837 E C -2.895 173.762 176.600 0.094 0.000 1.073 837 E CA -0.880 55.576 56.400 0.094 0.000 0.681 837 E CB 0.645 30.395 29.700 0.082 0.000 1.217 837 E HN 0.184 nan 8.360 nan 0.000 0.413 838 P HA 0.401 nan 4.420 nan 0.000 0.295 838 P C -0.404 176.879 177.300 -0.029 0.000 1.319 838 P CA -0.643 62.521 63.100 0.107 0.000 0.940 838 P CB 0.891 32.633 31.700 0.070 0.000 1.192 839 N N 0.816 119.502 118.700 -0.025 0.000 2.698 839 N HA -0.276 4.464 4.740 -0.000 0.000 0.258 839 N C 1.095 176.314 175.510 -0.485 0.000 0.978 839 N CA 0.648 53.453 53.050 -0.409 0.000 0.777 839 N CB -1.233 36.903 38.487 -0.585 0.000 0.907 839 N HN 0.906 nan 8.380 nan 0.000 0.543 840 G N -0.740 107.910 108.800 -0.250 0.000 4.236 840 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.222 840 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.222 840 G C -0.072 174.723 174.900 -0.175 0.000 1.354 840 G CA 0.908 45.910 45.100 -0.163 0.000 0.966 840 G HN 0.457 nan 8.290 nan 0.000 0.624 841 L N -0.301 120.778 121.223 -0.240 0.000 2.493 841 L HA 0.749 5.088 4.340 -0.000 0.000 0.265 841 L C -1.003 175.708 176.870 -0.265 0.000 0.954 841 L CA -0.778 53.902 54.840 -0.268 0.000 0.844 841 L CB 1.849 43.737 42.059 -0.285 0.000 1.302 841 L HN 0.390 nan 8.230 nan 0.000 0.405 842 I N 4.933 125.359 120.570 -0.239 0.000 2.315 842 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 842 I C 0.446 176.428 176.117 -0.225 0.000 1.006 842 I CA 0.356 61.535 61.300 -0.202 0.000 1.265 842 I CB 1.773 39.716 38.000 -0.095 0.000 1.387 842 I HN 0.545 nan 8.210 nan 0.000 0.475 843 V N 8.546 128.318 119.914 -0.237 0.000 3.085 843 V HA 0.259 4.379 4.120 -0.000 0.000 0.245 843 V C -0.215 175.760 176.094 -0.198 0.000 1.114 843 V CA 0.717 62.925 62.300 -0.155 0.000 1.108 843 V CB 0.568 32.332 31.823 -0.098 0.000 0.798 843 V HN 0.651 nan 8.190 nan 0.000 0.471 844 L N -1.483 119.484 121.223 -0.426 0.000 2.653 844 L HA 0.567 4.907 4.340 -0.000 0.000 0.257 844 L C -1.705 174.777 176.870 -0.647 0.000 0.969 844 L CA -1.531 52.980 54.840 -0.548 0.000 0.869 844 L CB 0.382 42.158 42.059 -0.472 0.000 1.439 844 L HN 0.137 nan 8.230 nan 0.000 0.414 845 Y N -0.281 119.933 120.300 -0.143 0.000 2.509 845 Y HA 0.753 5.303 4.550 -0.000 0.000 0.341 845 Y C -0.232 175.571 175.900 -0.161 0.000 1.038 845 Y CA -0.636 57.409 58.100 -0.093 0.000 1.089 845 Y CB 1.920 40.489 38.460 0.181 0.000 1.241 845 Y HN 0.593 nan 8.280 nan 0.000 0.468 846 E N 1.366 121.522 120.200 -0.073 0.000 2.183 846 E HA 0.348 4.698 4.350 -0.000 0.000 0.250 846 E C -1.258 175.417 176.600 0.124 0.000 0.901 846 E CA -0.478 55.920 56.400 -0.004 0.000 0.741 846 E CB 1.151 30.723 29.700 -0.213 0.000 1.182 846 E HN 0.341 nan 8.360 nan 0.000 0.425 847 V N 2.438 122.391 119.914 0.065 0.000 2.529 847 V HA 0.002 4.121 4.120 -0.000 0.000 0.292 847 V C 1.094 177.154 176.094 -0.058 0.000 1.028 847 V CA 0.347 62.626 62.300 -0.034 0.000 1.074 847 V CB 1.183 32.980 31.823 -0.043 0.000 0.958 847 V HN 0.684 nan 8.190 nan 0.000 0.481 848 S N 4.280 119.936 115.700 -0.073 0.000 2.477 848 S HA 0.339 4.809 4.470 -0.000 0.000 0.162 848 S C 0.089 174.362 174.600 -0.545 0.000 0.909 848 S CA 0.653 58.702 58.200 -0.252 0.000 1.147 848 S CB -0.080 62.979 63.200 -0.235 0.000 0.740 848 S HN 1.305 nan 8.310 nan 0.000 0.478 849 Y N 0.139 120.414 120.300 -0.042 0.000 2.517 849 Y HA -0.084 4.466 4.550 -0.000 0.000 0.021 849 Y C -0.796 175.036 175.900 -0.112 0.000 1.713 849 Y CA -0.001 58.094 58.100 -0.008 0.000 1.412 849 Y CB -1.229 37.282 38.460 0.084 0.000 2.058 849 Y HN 0.916 nan 8.280 nan 0.000 0.255 850 R N 1.923 122.560 120.500 0.229 0.000 3.086 850 R HA 0.750 5.090 4.340 -0.000 0.000 0.286 850 R C -0.986 175.436 176.300 0.203 0.000 0.958 850 R CA -0.652 55.470 56.100 0.037 0.000 0.822 850 R CB 0.926 31.222 30.300 -0.008 0.000 1.382 850 R HN 0.912 nan 8.270 nan 0.000 0.519 851 R N -0.599 119.932 120.500 0.052 0.000 4.335 851 R HA 0.102 4.442 4.340 -0.000 0.000 0.050 851 R C -0.845 175.508 176.300 0.089 0.000 0.766 851 R CA 1.215 57.356 56.100 0.069 0.000 2.101 851 R CB -0.151 30.141 30.300 -0.013 0.000 1.383 851 R HN 0.656 nan 8.270 nan 0.000 0.441 852 Y N 0.525 120.900 120.300 0.125 0.000 2.919 852 Y HA 0.698 5.247 4.550 -0.000 0.000 0.341 852 Y C 0.518 176.440 175.900 0.037 0.000 1.045 852 Y CA -0.438 57.697 58.100 0.059 0.000 1.218 852 Y CB 1.042 39.529 38.460 0.046 0.000 1.137 852 Y HN 0.546 nan 8.280 nan 0.000 0.577 853 G N 1.770 110.615 108.800 0.075 0.000 2.498 853 G HA2 0.078 4.038 3.960 -0.000 0.000 0.651 853 G HA3 0.078 4.038 3.960 -0.000 0.000 0.651 853 G C -1.961 172.916 174.900 -0.037 0.000 1.284 853 G CA -0.737 44.375 45.100 0.020 0.000 0.950 853 G HN 0.640 nan 8.290 nan 0.000 0.511 854 D N 0.466 120.835 120.400 -0.052 0.000 2.686 854 D HA 0.536 5.175 4.640 -0.000 0.000 0.249 854 D C -0.864 175.365 176.300 -0.119 0.000 1.260 854 D CA -0.603 53.345 54.000 -0.088 0.000 0.910 854 D CB 1.710 42.456 40.800 -0.089 0.000 1.323 854 D HN 0.440 nan 8.370 nan 0.000 0.561 855 E N 1.869 121.966 120.200 -0.171 0.000 2.113 855 E HA 0.203 4.553 4.350 -0.000 0.000 0.273 855 E C 0.793 177.067 176.600 -0.543 0.000 0.924 855 E CA -0.702 55.556 56.400 -0.237 0.000 0.764 855 E CB 1.755 31.471 29.700 0.026 0.000 1.104 855 E HN 0.218 nan 8.360 nan 0.000 0.406 856 E N 2.135 122.138 120.200 -0.328 0.000 2.029 856 E HA 0.018 4.368 4.350 -0.000 0.000 0.217 856 E C 0.026 176.417 176.600 -0.348 0.000 0.903 856 E CA 0.172 56.402 56.400 -0.284 0.000 1.062 856 E CB -0.218 29.393 29.700 -0.147 0.000 0.908 856 E HN 0.322 nan 8.360 nan 0.000 0.569 857 L N 1.634 122.685 121.223 -0.287 0.000 3.034 857 L HA -0.156 4.184 4.340 -0.000 0.000 0.710 857 L C 0.578 177.386 176.870 -0.104 0.000 1.237 857 L CA 0.456 55.177 54.840 -0.199 0.000 1.286 857 L CB -2.167 39.861 42.059 -0.052 0.000 1.946 857 L HN 0.584 nan 8.230 nan 0.000 0.918 858 H N -0.002 119.051 119.070 -0.027 0.000 4.610 858 H HA 0.934 5.490 4.556 -0.000 0.000 0.219 858 H C 0.302 175.598 175.328 -0.053 0.000 1.417 858 H CA -0.329 55.703 56.048 -0.028 0.000 0.949 858 H CB 0.835 30.559 29.762 -0.064 0.000 1.289 858 H HN 0.262 nan 8.280 nan 0.000 0.502 859 L N -0.646 120.672 121.223 0.159 0.000 2.403 859 L HA 0.554 4.893 4.340 -0.000 0.000 0.253 859 L C -0.081 176.744 176.870 -0.075 0.000 1.045 859 L CA -0.803 53.912 54.840 -0.208 0.000 0.845 859 L CB 2.323 43.534 42.059 -1.412 0.000 1.447 859 L HN 0.904 nan 8.230 nan 0.000 0.411 860 c N -2.588 115.971 118.600 -0.068 0.000 3.614 860 c HA 0.515 5.084 4.570 -0.000 0.000 0.095 860 c C 0.427 174.557 174.090 0.066 0.000 2.706 860 c CA 0.551 56.879 56.329 -0.000 0.000 1.175 860 c CB 0.029 42.556 42.510 0.027 0.000 2.332 860 c HN 1.113 nan 8.230 nan 0.000 0.505 861 D N 2.299 122.760 120.400 0.101 0.000 3.842 861 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 861 D C -0.104 176.276 176.300 0.132 0.000 2.098 861 D CA 2.003 56.076 54.000 0.120 0.000 0.892 861 D CB -0.936 39.945 40.800 0.135 0.000 0.900 861 D HN 1.589 nan 8.370 nan 0.000 0.981 862 T N -3.804 110.822 114.554 0.119 0.000 2.841 862 T HA 0.694 5.044 4.350 -0.000 0.000 0.296 862 T C 0.092 174.845 174.700 0.088 0.000 1.166 862 T CA -0.106 62.056 62.100 0.102 0.000 1.007 862 T CB 1.990 70.901 68.868 0.072 0.000 1.253 862 T HN 0.943 nan 8.240 nan 0.000 0.511 863 R N 0.917 121.462 120.500 0.075 0.000 2.249 863 R HA 0.101 4.441 4.340 -0.000 0.000 0.040 863 R C -1.013 175.323 176.300 0.060 0.000 0.583 863 R CA 0.890 57.025 56.100 0.058 0.000 1.589 863 R CB -1.287 29.045 30.300 0.053 0.000 0.875 863 R HN 0.995 nan 8.270 nan 0.000 0.553 864 K N 0.413 120.854 120.400 0.068 0.000 3.896 864 K HA -0.153 4.167 4.320 -0.000 0.000 0.955 864 K C -0.876 175.798 176.600 0.123 0.000 1.356 864 K CA 1.114 57.426 56.287 0.043 0.000 1.298 864 K CB -1.623 30.887 32.500 0.017 0.000 2.979 864 K HN 0.663 nan 8.250 nan 0.000 0.197 865 H N 1.010 120.125 119.070 0.075 0.000 4.552 865 H HA -0.169 4.386 4.556 -0.000 0.000 0.100 865 H C -0.622 174.851 175.328 0.241 0.000 0.619 865 H CA 1.091 57.202 56.048 0.105 0.000 1.018 865 H CB -0.750 29.058 29.762 0.076 0.000 0.419 865 H HN 0.759 nan 8.280 nan 0.000 0.779 866 F N -0.147 119.899 119.950 0.160 0.000 2.145 866 F HA -0.076 4.451 4.527 -0.000 0.000 0.508 866 F C -0.195 175.684 175.800 0.132 0.000 1.275 866 F CA 0.146 58.224 58.000 0.131 0.000 1.633 866 F CB -0.654 38.426 39.000 0.134 0.000 2.610 866 F HN 0.404 nan 8.300 nan 0.000 0.724 867 A N 8.004 130.473 122.820 -0.585 0.000 2.541 867 A HA 0.419 4.738 4.320 -0.000 0.000 0.293 867 A C 0.815 178.044 177.584 -0.592 0.000 1.307 867 A CA 0.285 52.046 52.037 -0.459 0.000 0.978 867 A CB -0.277 18.536 19.000 -0.313 0.000 1.111 867 A HN 1.604 nan 8.150 nan 0.000 0.535 868 L N 1.546 122.610 121.223 -0.265 0.000 2.906 868 L HA 0.303 4.642 4.340 -0.000 0.000 0.255 868 L C 0.511 177.291 176.870 -0.149 0.000 1.166 868 L CA -0.438 54.331 54.840 -0.118 0.000 0.977 868 L CB 0.018 42.141 42.059 0.106 0.000 1.313 868 L HN 0.575 nan 8.230 nan 0.000 0.549 869 E N 2.008 122.124 120.200 -0.141 0.000 2.765 869 E HA -0.164 4.186 4.350 -0.000 0.000 0.256 869 E C 0.536 177.088 176.600 -0.081 0.000 0.935 869 E CA 0.851 57.182 56.400 -0.115 0.000 0.954 869 E CB 0.589 30.235 29.700 -0.089 0.000 0.908 869 E HN 0.624 nan 8.360 nan 0.000 0.500 870 R N 0.990 121.447 120.500 -0.072 0.000 2.837 870 R HA -0.140 4.200 4.340 -0.000 0.000 0.312 870 R C 0.635 176.922 176.300 -0.023 0.000 0.541 870 R CA 1.714 57.832 56.100 0.029 0.000 1.534 870 R CB -1.610 28.778 30.300 0.148 0.000 1.546 870 R HN 1.694 nan 8.270 nan 0.000 0.404 871 G N -0.897 107.770 108.800 -0.223 0.000 2.462 871 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.685 871 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.685 871 G C -0.166 174.566 174.900 -0.279 0.000 1.295 871 G CA -0.312 44.520 45.100 -0.446 0.000 0.941 871 G HN 0.799 nan 8.290 nan 0.000 0.554 872 C N 0.106 119.419 119.300 0.021 0.000 2.656 872 C HA 0.867 5.327 4.460 -0.000 0.000 0.391 872 C C 0.742 175.690 174.990 -0.070 0.000 1.300 872 C CA 0.141 59.286 59.018 0.211 0.000 2.302 872 C CB 0.450 28.516 27.740 0.543 0.000 2.655 872 C HN 1.160 nan 8.230 nan 0.000 0.656 873 R N 4.133 124.637 120.500 0.007 0.000 2.531 873 R HA 0.518 4.858 4.340 -0.000 0.000 0.293 873 R C -1.354 174.999 176.300 0.088 0.000 1.124 873 R CA -0.434 55.667 56.100 0.002 0.000 0.945 873 R CB 0.698 30.995 30.300 -0.005 0.000 1.195 873 R HN 0.874 nan 8.270 nan 0.000 0.433 874 L N 3.979 125.270 121.223 0.113 0.000 2.295 874 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 874 L C 0.319 177.264 176.870 0.125 0.000 1.018 874 L CA -1.129 53.784 54.840 0.122 0.000 0.841 874 L CB 0.959 43.094 42.059 0.127 0.000 1.218 874 L HN 0.453 nan 8.230 nan 0.000 0.424 875 R N 1.968 122.527 120.500 0.098 0.000 2.553 875 R HA 0.484 4.823 4.340 -0.000 0.000 0.263 875 R C 0.697 177.045 176.300 0.080 0.000 1.066 875 R CA 0.020 56.178 56.100 0.096 0.000 1.135 875 R CB 0.372 30.710 30.300 0.063 0.000 1.148 875 R HN 0.791 nan 8.270 nan 0.000 0.558 876 G N 0.113 108.964 108.800 0.084 0.000 2.256 876 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.279 876 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.279 876 G C 0.217 175.126 174.900 0.014 0.000 0.998 876 G CA 0.540 45.673 45.100 0.055 0.000 0.720 876 G HN 0.521 nan 8.290 nan 0.000 0.521 877 L N 1.456 122.689 121.223 0.018 0.000 2.559 877 L HA 0.337 4.676 4.340 -0.000 0.000 0.282 877 L C 0.773 177.473 176.870 -0.283 0.000 1.232 877 L CA 0.299 55.039 54.840 -0.166 0.000 0.885 877 L CB 0.117 42.066 42.059 -0.184 0.000 1.131 877 L HN 0.210 nan 8.230 nan 0.000 0.498 878 S N 6.554 122.098 115.700 -0.259 0.000 2.548 878 S HA 0.327 4.797 4.470 -0.000 0.000 0.277 878 S C -2.199 172.226 174.600 -0.291 0.000 1.315 878 S CA -0.921 57.175 58.200 -0.173 0.000 1.050 878 S CB 0.581 63.760 63.200 -0.035 0.000 0.918 878 S HN 0.551 nan 8.310 nan 0.000 0.497 879 P HA 0.226 nan 4.420 nan 0.000 0.265 879 P C 0.598 177.698 177.300 -0.333 0.000 1.167 879 P CA 1.009 63.968 63.100 -0.236 0.000 0.760 879 P CB 0.034 31.683 31.700 -0.086 0.000 0.783 880 G N 1.475 109.902 108.800 -0.623 0.000 2.320 880 G HA2 0.087 4.047 3.960 -0.000 0.000 0.274 880 G HA3 0.087 4.047 3.960 -0.000 0.000 0.274 880 G C -1.701 172.442 174.900 -1.262 0.000 1.324 880 G CA -0.631 43.984 45.100 -0.808 0.000 0.957 880 G HN 0.738 nan 8.290 nan 0.000 0.481 881 N N -0.047 118.108 118.700 -0.908 0.000 2.399 881 N HA 0.609 5.349 4.740 -0.000 0.000 0.280 881 N C -1.421 173.702 175.510 -0.645 0.000 1.008 881 N CA -0.452 52.246 53.050 -0.587 0.000 0.894 881 N CB 1.520 40.081 38.487 0.124 0.000 1.273 881 N HN 0.552 nan 8.380 nan 0.000 0.486 882 Y N 0.418 120.480 120.300 -0.396 0.000 2.528 882 Y HA 0.400 4.950 4.550 -0.000 0.000 0.335 882 Y C 0.377 176.285 175.900 0.015 0.000 1.093 882 Y CA -1.137 56.812 58.100 -0.250 0.000 1.134 882 Y CB 2.013 40.317 38.460 -0.259 0.000 1.253 882 Y HN 0.404 nan 8.280 nan 0.000 0.478 883 S N 1.810 117.700 115.700 0.317 0.000 2.426 883 S HA 0.380 4.850 4.470 -0.000 0.000 0.236 883 S C -0.372 174.384 174.600 0.260 0.000 1.368 883 S CA -0.878 57.482 58.200 0.267 0.000 1.154 883 S CB -0.324 62.955 63.200 0.132 0.000 1.037 883 S HN 0.543 nan 8.310 nan 0.000 0.481 884 V N 0.678 120.801 119.914 0.348 0.000 3.051 884 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 884 V C -0.003 176.122 176.094 0.051 0.000 1.083 884 V CA -0.677 61.755 62.300 0.220 0.000 1.104 884 V CB 0.404 32.327 31.823 0.167 0.000 1.027 884 V HN 0.901 nan 8.190 nan 0.000 0.483 885 R N 3.493 123.981 120.500 -0.020 0.000 3.009 885 R HA 0.452 4.792 4.340 -0.000 0.000 0.278 885 R C -1.355 175.061 176.300 0.194 0.000 1.515 885 R CA -0.558 55.520 56.100 -0.035 0.000 1.055 885 R CB -0.070 30.067 30.300 -0.271 0.000 1.345 885 R HN 0.757 nan 8.270 nan 0.000 0.421 886 I N 2.655 123.262 120.570 0.063 0.000 2.662 886 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 886 I C 0.254 176.378 176.117 0.012 0.000 1.046 886 I CA -0.601 60.654 61.300 -0.074 0.000 1.361 886 I CB 0.795 38.275 38.000 -0.867 0.000 1.429 886 I HN 0.602 nan 8.210 nan 0.000 0.558 887 R N 3.897 124.199 120.500 -0.330 0.000 2.508 887 R HA 0.693 5.033 4.340 -0.000 0.000 0.283 887 R C -1.513 174.548 176.300 -0.399 0.000 1.120 887 R CA -0.555 55.123 56.100 -0.703 0.000 0.958 887 R CB 0.935 29.950 30.300 -2.142 0.000 1.215 887 R HN 0.678 nan 8.270 nan 0.000 0.427 888 A N 1.867 124.605 122.820 -0.138 0.000 2.304 888 A HA 0.677 4.997 4.320 -0.000 0.000 0.271 888 A C -0.489 176.909 177.584 -0.310 0.000 1.091 888 A CA -0.403 51.532 52.037 -0.171 0.000 0.812 888 A CB 0.755 19.742 19.000 -0.021 0.000 1.056 888 A HN 0.768 nan 8.150 nan 0.000 0.489 889 T N 1.564 115.899 114.554 -0.364 0.000 2.963 889 T HA 0.495 4.845 4.350 -0.000 0.000 0.328 889 T C 0.117 174.662 174.700 -0.258 0.000 1.048 889 T CA -0.182 61.744 62.100 -0.289 0.000 1.033 889 T CB 0.615 69.312 68.868 -0.286 0.000 1.010 889 T HN 0.962 nan 8.240 nan 0.000 0.469 890 S N 3.107 118.674 115.700 -0.221 0.000 2.713 890 S HA 0.604 5.074 4.470 -0.000 0.000 0.277 890 S C 0.366 174.832 174.600 -0.224 0.000 1.168 890 S CA -1.038 57.027 58.200 -0.225 0.000 0.994 890 S CB 0.387 63.455 63.200 -0.219 0.000 1.054 890 S HN 0.430 nan 8.310 nan 0.000 0.555 891 L N 1.818 122.864 121.223 -0.295 0.000 2.865 891 L HA 0.220 4.559 4.340 -0.000 0.000 0.283 891 L C 0.933 177.524 176.870 -0.465 0.000 1.101 891 L CA 1.610 56.224 54.840 -0.376 0.000 1.061 891 L CB -1.465 40.333 42.059 -0.435 0.000 1.437 891 L HN 1.384 nan 8.230 nan 0.000 0.460 892 A N 3.207 125.912 122.820 -0.192 0.000 2.482 892 A HA 0.267 4.587 4.320 -0.000 0.000 0.283 892 A C 0.594 178.129 177.584 -0.083 0.000 1.411 892 A CA 0.612 52.626 52.037 -0.038 0.000 0.725 892 A CB -1.910 17.090 19.000 -0.001 0.000 1.140 892 A HN 2.082 nan 8.150 nan 0.000 0.375 893 G N -0.106 108.662 108.800 -0.053 0.000 2.308 893 G HA2 0.474 4.434 3.960 -0.000 0.000 0.288 893 G HA3 0.474 4.434 3.960 -0.000 0.000 0.288 893 G C -0.162 174.667 174.900 -0.119 0.000 1.722 893 G CA 0.163 45.214 45.100 -0.082 0.000 0.924 893 G HN 0.484 nan 8.290 nan 0.000 0.732 894 N N -0.029 118.597 118.700 -0.123 0.000 2.409 894 N HA 0.277 5.017 4.740 -0.000 0.000 0.174 894 N C 1.748 177.125 175.510 -0.221 0.000 1.037 894 N CA 1.698 54.629 53.050 -0.198 0.000 0.898 894 N CB 0.230 38.604 38.487 -0.188 0.000 1.010 894 N HN 1.779 nan 8.380 nan 0.000 0.445 895 G N 0.275 108.991 108.800 -0.140 0.000 2.539 895 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.256 895 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.256 895 G C -0.268 174.575 174.900 -0.095 0.000 1.233 895 G CA 0.187 45.222 45.100 -0.107 0.000 0.936 895 G HN 0.354 nan 8.290 nan 0.000 0.571 896 S N -1.423 114.237 115.700 -0.066 0.000 2.748 896 S HA 0.848 5.317 4.470 -0.000 0.000 0.299 896 S C -0.026 174.573 174.600 -0.003 0.000 1.119 896 S CA -0.035 58.169 58.200 0.008 0.000 0.997 896 S CB 2.040 65.270 63.200 0.050 0.000 1.223 896 S HN 0.749 nan 8.310 nan 0.000 0.541 897 W N 0.354 121.651 121.300 -0.005 0.000 4.007 897 W HA 0.571 5.231 4.660 -0.000 0.000 0.565 897 W C -0.557 175.950 176.519 -0.019 0.000 2.287 897 W CA -0.247 57.086 57.345 -0.021 0.000 0.957 897 W CB 0.451 29.893 29.460 -0.030 0.000 2.578 897 W HN 0.761 nan 8.180 nan 0.000 0.609 898 T N -0.290 114.489 114.554 0.375 0.000 2.661 898 T HA 0.310 4.660 4.350 -0.000 0.000 0.305 898 T C -0.982 173.735 174.700 0.028 0.000 1.441 898 T CA -0.536 61.657 62.100 0.155 0.000 0.999 898 T CB 2.439 71.391 68.868 0.140 0.000 1.650 898 T HN 0.117 nan 8.240 nan 0.000 0.489 899 E N -0.736 119.478 120.200 0.023 0.000 2.703 899 E HA 0.233 4.583 4.350 -0.000 0.000 0.214 899 E C -2.655 173.962 176.600 0.028 0.000 0.944 899 E CA -0.578 55.820 56.400 -0.002 0.000 1.299 899 E CB -0.173 29.527 29.700 0.001 0.000 1.189 899 E HN 0.410 nan 8.360 nan 0.000 0.597 900 P HA 0.049 nan 4.420 nan 0.000 0.267 900 P C -0.126 177.249 177.300 0.126 0.000 1.200 900 P CA 0.385 63.531 63.100 0.076 0.000 0.772 900 P CB 1.014 32.755 31.700 0.067 0.000 0.855 901 T N 1.871 116.514 114.554 0.149 0.000 2.948 901 T HA 0.673 5.023 4.350 -0.000 0.000 0.285 901 T C -0.419 174.480 174.700 0.331 0.000 1.019 901 T CA -0.251 61.979 62.100 0.216 0.000 1.013 901 T CB 0.934 69.884 68.868 0.138 0.000 1.117 901 T HN 0.617 nan 8.240 nan 0.000 0.533 902 Y N -0.598 119.765 120.300 0.106 0.000 2.687 902 Y HA 0.684 5.234 4.550 -0.000 0.000 0.338 902 Y C -2.388 173.589 175.900 0.129 0.000 1.189 902 Y CA -1.739 56.419 58.100 0.097 0.000 1.097 902 Y CB 0.891 39.381 38.460 0.051 0.000 1.342 902 Y HN 0.665 nan 8.280 nan 0.000 0.461 903 F N 1.900 121.726 119.950 -0.206 0.000 2.593 903 F HA 0.723 5.250 4.527 -0.000 0.000 0.320 903 F C -1.841 173.785 175.800 -0.290 0.000 1.060 903 F CA -1.405 56.439 58.000 -0.259 0.000 0.940 903 F CB 1.808 40.742 39.000 -0.110 0.000 1.268 903 F HN 0.564 nan 8.300 nan 0.000 0.475 904 Y N 3.384 123.191 120.300 -0.821 0.000 2.334 904 Y HA 0.366 4.916 4.550 -0.000 0.000 0.336 904 Y C -0.080 175.730 175.900 -0.150 0.000 0.960 904 Y CA -1.150 56.714 58.100 -0.394 0.000 1.164 904 Y CB 1.581 39.771 38.460 -0.450 0.000 1.155 904 Y HN 0.383 nan 8.280 nan 0.000 0.478 905 V N 2.152 122.218 119.914 0.253 0.000 2.358 905 V HA -0.066 4.054 4.120 -0.000 0.000 0.234 905 V C 0.914 177.143 176.094 0.225 0.000 1.239 905 V CA 0.084 62.564 62.300 0.300 0.000 1.343 905 V CB -1.409 30.533 31.823 0.197 0.000 1.377 905 V HN 0.912 nan 8.190 nan 0.000 0.487 906 T N 2.358 117.049 114.554 0.229 0.000 3.244 906 T HA 0.045 4.394 4.350 -0.000 0.000 0.422 906 T C -0.004 174.787 174.700 0.152 0.000 1.121 906 T CA 0.734 62.923 62.100 0.147 0.000 1.112 906 T CB 0.324 69.268 68.868 0.126 0.000 1.369 906 T HN 0.809 nan 8.240 nan 0.000 0.513 907 D N 0.338 120.811 120.400 0.122 0.000 2.328 907 D HA 0.290 4.930 4.640 -0.000 0.000 0.243 907 D C -0.921 175.418 176.300 0.065 0.000 1.324 907 D CA -0.419 53.626 54.000 0.076 0.000 0.966 907 D CB 0.261 41.077 40.800 0.027 0.000 1.324 907 D HN 0.552 nan 8.370 nan 0.000 0.549 908 Y N 1.559 121.889 120.300 0.051 0.000 2.223 908 Y HA 0.536 5.086 4.550 -0.000 0.000 0.352 908 Y C -0.453 175.463 175.900 0.026 0.000 1.293 908 Y CA -0.823 57.300 58.100 0.038 0.000 1.601 908 Y CB 0.400 38.884 38.460 0.040 0.000 1.407 908 Y HN 0.274 nan 8.280 nan 0.000 0.639 909 L N 0.000 121.332 121.223 0.181 0.000 2.949 909 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 909 L CA 0.000 54.853 54.840 0.022 0.000 0.813 909 L CB 0.000 42.098 42.059 0.065 0.000 0.961 909 L HN 0.000 nan 8.230 nan 0.000 0.502