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 3loh_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 XXXXXXXXXL KELEESSFRK DATA SEQUENCE TFEDYLHXXX 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 0.000 177.356 177.300 0.094 0.000 1.155 4 P CA 0.000 63.156 63.100 0.094 0.000 0.800 4 P CB 0.000 31.718 31.700 0.030 0.000 0.726 5 G N 0.916 109.741 108.800 0.042 0.000 2.823 5 G HA2 0.464 4.424 3.960 -0.000 0.000 0.235 5 G HA3 0.464 4.424 3.960 -0.000 0.000 0.235 5 G C -1.005 173.907 174.900 0.020 0.000 3.696 5 G CA 0.505 45.630 45.100 0.042 0.000 0.652 5 G HN 0.869 nan 8.290 nan 0.000 0.431 6 E N -0.847 119.356 120.200 0.005 0.000 7.511 6 E HA -0.016 4.333 4.350 -0.000 0.000 0.215 6 E C -1.383 175.217 176.600 -0.001 0.000 0.871 6 E CA 0.302 56.703 56.400 0.003 0.000 1.658 6 E CB -0.939 28.769 29.700 0.013 0.000 0.896 6 E HN 1.282 nan 8.360 nan 0.000 0.262 7 V N 4.709 124.626 119.914 0.004 0.000 2.612 7 V HA 0.786 4.906 4.120 -0.000 0.000 0.301 7 V C 0.037 176.135 176.094 0.006 0.000 1.046 7 V CA -0.060 62.249 62.300 0.015 0.000 0.946 7 V CB 1.565 33.440 31.823 0.086 0.000 1.003 7 V HN 0.939 nan 8.190 nan 0.000 0.459 8 c N 5.885 124.472 118.600 -0.020 0.000 2.889 8 c HA 0.729 5.299 4.570 -0.000 0.000 0.307 8 c C -2.714 171.358 174.090 -0.029 0.000 1.251 8 c CA -1.017 55.298 56.329 -0.023 0.000 1.593 8 c CB 2.317 44.799 42.510 -0.046 0.000 2.104 8 c HN 0.746 nan 8.230 nan 0.000 0.476 9 P HA 0.362 nan 4.420 nan 0.000 0.290 9 P C -0.238 177.017 177.300 -0.075 0.000 1.283 9 P CA 0.151 63.239 63.100 -0.021 0.000 0.869 9 P CB 0.561 32.267 31.700 0.009 0.000 1.100 10 G N 1.456 110.183 108.800 -0.122 0.000 2.614 10 G HA2 0.203 4.163 3.960 -0.000 0.000 0.229 10 G HA3 0.203 4.163 3.960 -0.000 0.000 0.229 10 G C -0.558 174.262 174.900 -0.134 0.000 1.232 10 G CA 0.101 45.074 45.100 -0.212 0.000 0.857 10 G HN 0.555 nan 8.290 nan 0.000 0.560 11 M N 0.569 120.112 119.600 -0.094 0.000 2.470 11 M HA 0.371 4.851 4.480 -0.000 0.000 0.285 11 M C -2.038 174.291 176.300 0.047 0.000 1.213 11 M CA -0.741 54.542 55.300 -0.028 0.000 0.901 11 M CB 2.526 35.093 32.600 -0.055 0.000 1.718 11 M HN 0.408 nan 8.290 nan 0.000 0.469 12 D N 4.306 124.735 120.400 0.048 0.000 2.481 12 D HA 0.488 5.128 4.640 -0.000 0.000 0.246 12 D C -1.155 175.167 176.300 0.037 0.000 1.109 12 D CA -0.009 54.032 54.000 0.069 0.000 0.845 12 D CB 1.489 42.348 40.800 0.098 0.000 1.160 12 D HN 0.385 nan 8.370 nan 0.000 0.534 13 I N 2.136 122.723 120.570 0.028 0.000 2.389 13 I HA 0.479 4.649 4.170 -0.000 0.000 0.288 13 I C 0.272 176.396 176.117 0.013 0.000 0.999 13 I CA -0.649 60.660 61.300 0.015 0.000 1.129 13 I CB 1.208 39.210 38.000 0.004 0.000 1.288 13 I HN 0.075 nan 8.210 nan 0.000 0.444 14 R N 4.631 125.134 120.500 0.005 0.000 2.807 14 R HA 0.546 4.886 4.340 -0.000 0.000 0.276 14 R C 0.079 176.363 176.300 -0.028 0.000 0.979 14 R CA -0.875 55.216 56.100 -0.015 0.000 0.928 14 R CB 1.797 32.102 30.300 0.008 0.000 1.191 14 R HN 0.656 nan 8.270 nan 0.000 0.471 15 N N 0.598 119.257 118.700 -0.069 0.000 1.156 15 N HA -0.308 4.432 4.740 -0.000 0.000 0.125 15 N C -0.407 175.088 175.510 -0.025 0.000 0.726 15 N CA 1.065 54.087 53.050 -0.047 0.000 0.887 15 N CB -1.130 37.357 38.487 0.001 0.000 1.163 15 N HN 0.696 nan 8.380 nan 0.000 0.564 16 N N 2.154 120.853 118.700 -0.001 0.000 1.792 16 N HA -0.140 4.600 4.740 -0.000 0.000 0.321 16 N C 1.070 176.579 175.510 -0.002 0.000 1.314 16 N CA 0.406 53.460 53.050 0.006 0.000 0.814 16 N CB -0.240 38.259 38.487 0.019 0.000 1.073 16 N HN 0.390 nan 8.380 nan 0.000 0.503 17 L N 2.383 123.600 121.223 -0.010 0.000 2.376 17 L HA -0.174 4.166 4.340 -0.000 0.000 0.219 17 L C 2.194 179.031 176.870 -0.055 0.000 1.133 17 L CA 0.985 55.815 54.840 -0.017 0.000 0.816 17 L CB -0.446 41.606 42.059 -0.012 0.000 0.933 17 L HN 0.780 nan 8.230 nan 0.000 0.449 18 T N -1.932 112.615 114.554 -0.012 0.000 2.572 18 T HA -0.433 3.916 4.350 -0.000 0.000 0.258 18 T C 1.857 176.572 174.700 0.025 0.000 1.154 18 T CA 1.868 63.992 62.100 0.040 0.000 1.157 18 T CB -0.668 68.243 68.868 0.071 0.000 0.856 18 T HN 0.337 nan 8.240 nan 0.000 0.443 19 R N 0.694 121.209 120.500 0.025 0.000 2.355 19 R HA 0.088 4.428 4.340 -0.000 0.000 0.219 19 R C 2.280 178.592 176.300 0.020 0.000 1.107 19 R CA 0.783 56.904 56.100 0.036 0.000 1.021 19 R CB -0.503 29.813 30.300 0.027 0.000 0.852 19 R HN 0.365 nan 8.270 nan 0.000 0.475 20 L N 0.028 121.228 121.223 -0.037 0.000 2.217 20 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 20 L C 1.667 178.618 176.870 0.136 0.000 1.107 20 L CA 1.629 56.452 54.840 -0.028 0.000 0.783 20 L CB -0.340 41.718 42.059 -0.002 0.000 0.919 20 L HN 0.180 nan 8.230 nan 0.000 0.442 21 H N -0.135 119.112 119.070 0.294 0.000 2.541 21 H HA -0.099 4.457 4.556 -0.000 0.000 0.289 21 H C 1.626 177.107 175.328 0.256 0.000 1.054 21 H CA 0.948 57.194 56.048 0.330 0.000 1.250 21 H CB -0.093 29.773 29.762 0.174 0.000 1.369 21 H HN 0.539 nan 8.280 nan 0.000 0.578 22 E N 0.288 120.630 120.200 0.237 0.000 2.510 22 E HA -0.062 4.288 4.350 -0.000 0.000 0.202 22 E C 1.022 177.690 176.600 0.112 0.000 1.072 22 E CA 0.126 56.610 56.400 0.139 0.000 0.883 22 E CB 0.149 29.892 29.700 0.072 0.000 0.818 22 E HN 0.427 nan 8.360 nan 0.000 0.548 23 L N -0.304 121.012 121.223 0.155 0.000 2.766 23 L HA 0.103 4.443 4.340 -0.000 0.000 0.242 23 L C 2.024 179.086 176.870 0.320 0.000 1.136 23 L CA -0.091 54.804 54.840 0.092 0.000 0.933 23 L CB 0.187 42.110 42.059 -0.226 0.000 1.241 23 L HN 0.055 nan 8.230 nan 0.000 0.522 24 E N 1.281 121.730 120.200 0.414 0.000 2.023 24 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 24 E C 1.335 178.048 176.600 0.189 0.000 1.003 24 E CA 1.643 58.242 56.400 0.332 0.000 0.809 24 E CB 0.140 29.962 29.700 0.202 0.000 0.755 24 E HN 0.486 nan 8.360 nan 0.000 0.449 25 N N 0.270 119.049 118.700 0.131 0.000 2.459 25 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 25 N C 0.496 176.052 175.510 0.077 0.000 1.046 25 N CA 0.349 53.449 53.050 0.084 0.000 0.904 25 N CB -0.540 37.983 38.487 0.061 0.000 0.964 25 N HN 0.153 nan 8.380 nan 0.000 0.444 26 c N 0.205 118.860 118.600 0.092 0.000 2.676 26 c HA 0.200 4.769 4.570 -0.000 0.000 0.416 26 c C 1.935 176.045 174.090 0.033 0.000 1.299 26 c CA 0.185 56.542 56.329 0.047 0.000 2.048 26 c CB 0.440 42.963 42.510 0.022 0.000 2.713 26 c HN 0.373 nan 8.230 nan 0.000 0.624 27 S N 1.965 117.662 115.700 -0.007 0.000 2.653 27 S HA 0.328 4.797 4.470 -0.000 0.000 0.259 27 S C -0.283 174.271 174.600 -0.077 0.000 1.076 27 S CA 0.118 58.306 58.200 -0.020 0.000 1.051 27 S CB 0.257 63.457 63.200 -0.000 0.000 0.994 27 S HN 0.668 nan 8.310 nan 0.000 0.552 28 V N 1.909 121.755 119.914 -0.114 0.000 2.971 28 V HA 0.567 4.687 4.120 -0.000 0.000 0.309 28 V C -1.341 174.617 176.094 -0.226 0.000 1.130 28 V CA -0.742 61.424 62.300 -0.223 0.000 0.964 28 V CB 2.115 33.719 31.823 -0.365 0.000 1.029 28 V HN 0.319 nan 8.190 nan 0.000 0.427 29 I N 2.816 123.215 120.570 -0.284 0.000 2.371 29 I HA 0.321 4.491 4.170 -0.000 0.000 0.282 29 I C 0.211 176.169 176.117 -0.266 0.000 1.031 29 I CA -0.317 60.840 61.300 -0.239 0.000 1.180 29 I CB 1.162 39.018 38.000 -0.240 0.000 1.336 29 I HN 0.612 nan 8.210 nan 0.000 0.467 30 E N 6.075 126.162 120.200 -0.187 0.000 2.159 30 E HA 0.354 4.704 4.350 -0.000 0.000 0.272 30 E C 0.654 177.187 176.600 -0.112 0.000 1.138 30 E CA 0.242 56.572 56.400 -0.115 0.000 0.915 30 E CB 0.782 30.530 29.700 0.080 0.000 1.028 30 E HN 0.912 nan 8.360 nan 0.000 0.423 31 G N 3.354 112.064 108.800 -0.149 0.000 2.443 31 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.209 31 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.209 31 G C -0.687 174.058 174.900 -0.259 0.000 1.176 31 G CA -0.283 44.694 45.100 -0.205 0.000 1.074 31 G HN 0.776 nan 8.290 nan 0.000 0.577 32 H N -1.092 117.786 119.070 -0.320 0.000 2.622 32 H HA 0.780 5.336 4.556 -0.000 0.000 0.363 32 H C -1.368 173.750 175.328 -0.351 0.000 1.151 32 H CA -1.040 54.702 56.048 -0.511 0.000 1.184 32 H CB 2.391 31.465 29.762 -1.147 0.000 1.643 32 H HN 0.758 nan 8.280 nan 0.000 0.531 33 L N 2.164 123.317 121.223 -0.117 0.000 2.287 33 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 33 L C -0.625 176.213 176.870 -0.053 0.000 1.022 33 L CA -0.146 54.638 54.840 -0.092 0.000 0.814 33 L CB 1.627 43.553 42.059 -0.222 0.000 1.217 33 L HN 0.754 nan 8.230 nan 0.000 0.420 34 Q N 5.578 125.385 119.800 0.012 0.000 2.347 34 Q HA 0.537 4.877 4.340 -0.000 0.000 0.265 34 Q C -1.520 174.497 176.000 0.029 0.000 1.024 34 Q CA -0.369 55.444 55.803 0.017 0.000 0.731 34 Q CB 1.353 30.103 28.738 0.020 0.000 1.245 34 Q HN 0.680 nan 8.270 nan 0.000 0.472 35 I N 5.211 125.802 120.570 0.035 0.000 2.339 35 I HA 0.513 4.683 4.170 -0.000 0.000 0.290 35 I C -0.864 175.282 176.117 0.049 0.000 0.994 35 I CA -0.960 60.364 61.300 0.041 0.000 1.191 35 I CB 0.883 38.916 38.000 0.056 0.000 1.343 35 I HN 0.378 nan 8.210 nan 0.000 0.458 36 L N 5.121 126.363 121.223 0.031 0.000 2.775 36 L HA 0.596 4.936 4.340 -0.000 0.000 0.263 36 L C -0.525 176.295 176.870 -0.085 0.000 1.017 36 L CA -1.358 53.507 54.840 0.042 0.000 0.891 36 L CB 0.700 42.877 42.059 0.197 0.000 1.482 36 L HN 0.321 nan 8.230 nan 0.000 0.410 37 L N -0.328 120.751 121.223 -0.240 0.000 3.678 37 L HA -0.171 4.169 4.340 -0.000 0.000 0.425 37 L C -0.439 176.005 176.870 -0.711 0.000 1.240 37 L CA 1.283 55.775 54.840 -0.580 0.000 0.876 37 L CB -1.814 40.122 42.059 -0.206 0.000 1.766 37 L HN 0.828 nan 8.230 nan 0.000 0.917 38 M N -1.183 118.036 119.600 -0.635 0.000 2.129 38 M HA 0.311 4.791 4.480 -0.000 0.000 0.348 38 M C 0.883 176.828 176.300 -0.592 0.000 1.116 38 M CA 0.037 55.076 55.300 -0.435 0.000 1.022 38 M CB 0.737 33.237 32.600 -0.167 0.000 1.599 38 M HN 0.062 nan 8.290 nan 0.000 0.449 39 F N 0.614 120.465 119.950 -0.166 0.000 2.680 39 F HA 0.197 4.724 4.527 -0.000 0.000 0.290 39 F C 1.745 177.558 175.800 0.021 0.000 1.114 39 F CA -0.070 57.814 58.000 -0.192 0.000 1.333 39 F CB 0.302 39.154 39.000 -0.247 0.000 1.091 39 F HN 0.487 nan 8.300 nan 0.000 0.606 40 K N 0.328 120.822 120.400 0.157 0.000 2.362 40 K HA -0.011 4.309 4.320 -0.000 0.000 0.200 40 K C 0.508 177.134 176.600 0.043 0.000 1.046 40 K CA 0.692 57.036 56.287 0.095 0.000 0.952 40 K CB -0.616 31.915 32.500 0.051 0.000 0.753 40 K HN 0.062 nan 8.250 nan 0.000 0.466 41 T N 2.645 117.208 114.554 0.015 0.000 2.939 41 T HA -0.004 4.345 4.350 -0.000 0.000 0.312 41 T C 0.326 174.994 174.700 -0.053 0.000 1.064 41 T CA 0.241 62.292 62.100 -0.081 0.000 1.136 41 T CB 0.370 69.201 68.868 -0.062 0.000 1.035 41 T HN 0.111 nan 8.240 nan 0.000 0.538 42 R N 2.912 123.332 120.500 -0.133 0.000 2.867 42 R HA 0.350 4.690 4.340 -0.000 0.000 0.268 42 R C -2.223 174.000 176.300 -0.127 0.000 1.014 42 R CA -2.662 53.397 56.100 -0.069 0.000 0.946 42 R CB -0.051 30.231 30.300 -0.031 0.000 1.208 42 R HN 0.244 nan 8.270 nan 0.000 0.477 43 P HA -0.208 nan 4.420 nan 0.000 0.216 43 P C 0.793 178.089 177.300 -0.008 0.000 1.153 43 P CA 1.463 64.598 63.100 0.058 0.000 0.858 43 P CB 0.115 31.870 31.700 0.092 0.000 0.789 44 E N -0.654 119.529 120.200 -0.028 0.000 2.448 44 E HA -0.226 4.124 4.350 -0.000 0.000 0.203 44 E C 0.582 177.133 176.600 -0.082 0.000 1.046 44 E CA 1.102 57.482 56.400 -0.033 0.000 0.871 44 E CB -0.822 28.863 29.700 -0.026 0.000 0.790 44 E HN 0.274 nan 8.360 nan 0.000 0.545 45 D N -0.175 120.098 120.400 -0.212 0.000 2.346 45 D HA 0.066 4.706 4.640 -0.000 0.000 0.206 45 D C 0.340 176.453 176.300 -0.312 0.000 1.001 45 D CA 0.394 54.196 54.000 -0.330 0.000 0.871 45 D CB 0.017 40.486 40.800 -0.551 0.000 0.943 45 D HN 0.305 nan 8.370 nan 0.000 0.518 46 F N 1.100 121.057 119.950 0.011 0.000 2.750 46 F HA 0.186 4.713 4.527 -0.000 0.000 0.297 46 F C 2.057 177.853 175.800 -0.006 0.000 1.138 46 F CA -0.748 57.251 58.000 -0.002 0.000 1.346 46 F CB 0.503 39.498 39.000 -0.008 0.000 0.965 46 F HN -0.177 nan 8.300 nan 0.000 0.514 47 R N 0.893 121.468 120.500 0.125 0.000 2.078 47 R HA -0.156 4.184 4.340 -0.000 0.000 0.224 47 R C 1.647 177.981 176.300 0.057 0.000 1.149 47 R CA 2.264 58.409 56.100 0.075 0.000 0.916 47 R CB -1.256 29.068 30.300 0.039 0.000 0.821 47 R HN 0.301 nan 8.270 nan 0.000 0.434 48 D N 1.327 121.751 120.400 0.041 0.000 2.120 48 D HA -0.207 4.432 4.640 -0.000 0.000 0.191 48 D C 0.433 176.734 176.300 0.000 0.000 0.994 48 D CA 0.948 54.954 54.000 0.010 0.000 0.838 48 D CB -0.506 40.300 40.800 0.009 0.000 0.976 48 D HN 0.170 nan 8.370 nan 0.000 0.447 49 L N 0.642 121.900 121.223 0.059 0.000 2.908 49 L HA -0.008 4.332 4.340 -0.000 0.000 0.288 49 L C -0.035 176.776 176.870 -0.099 0.000 1.067 49 L CA 0.959 55.806 54.840 0.013 0.000 1.021 49 L CB -0.766 41.448 42.059 0.259 0.000 1.453 49 L HN 0.204 nan 8.230 nan 0.000 0.448 50 S N 4.067 119.595 115.700 -0.287 0.000 2.546 50 S HA 0.679 5.148 4.470 -0.000 0.000 0.272 50 S C -0.957 173.382 174.600 -0.436 0.000 1.140 50 S CA -0.664 57.396 58.200 -0.233 0.000 0.920 50 S CB 0.615 63.745 63.200 -0.117 0.000 1.083 50 S HN 0.210 nan 8.310 nan 0.000 0.476 51 F N 5.070 125.038 119.950 0.030 0.000 2.443 51 F HA 0.413 4.940 4.527 -0.000 0.000 0.369 51 F C -1.723 174.134 175.800 0.094 0.000 1.090 51 F CA -1.646 56.414 58.000 0.100 0.000 1.129 51 F CB 2.015 41.128 39.000 0.187 0.000 1.367 51 F HN 0.417 nan 8.300 nan 0.000 0.465 52 P HA -0.027 nan 4.420 nan 0.000 0.228 52 P C 0.781 178.130 177.300 0.082 0.000 1.166 52 P CA 0.872 64.028 63.100 0.093 0.000 0.812 52 P CB 0.312 32.040 31.700 0.048 0.000 0.857 53 K N -0.280 120.179 120.400 0.097 0.000 2.283 53 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 53 K C 1.182 177.810 176.600 0.046 0.000 1.048 53 K CA 0.157 56.484 56.287 0.067 0.000 0.948 53 K CB -0.346 32.197 32.500 0.072 0.000 0.742 53 K HN 0.159 nan 8.250 nan 0.000 0.458 54 L N 2.557 123.822 121.223 0.070 0.000 2.500 54 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 54 L C 0.509 177.350 176.870 -0.049 0.000 1.149 54 L CA 0.792 55.625 54.840 -0.011 0.000 0.897 54 L CB 0.245 42.291 42.059 -0.021 0.000 1.178 54 L HN 0.201 nan 8.230 nan 0.000 0.473 55 I N 4.931 125.448 120.570 -0.087 0.000 4.338 55 I HA 0.159 4.329 4.170 -0.000 0.000 0.315 55 I C 0.468 176.509 176.117 -0.126 0.000 1.262 55 I CA 0.194 61.442 61.300 -0.086 0.000 1.298 55 I CB 0.731 38.703 38.000 -0.046 0.000 1.257 55 I HN 0.573 nan 8.210 nan 0.000 0.444 56 M N 1.496 120.990 119.600 -0.176 0.000 2.371 56 M HA 0.495 4.974 4.480 -0.000 0.000 0.287 56 M C -2.249 173.882 176.300 -0.282 0.000 1.149 56 M CA -0.433 54.738 55.300 -0.216 0.000 0.929 56 M CB 3.337 35.803 32.600 -0.222 0.000 1.683 56 M HN -0.103 nan 8.290 nan 0.000 0.470 57 I N 3.094 123.507 120.570 -0.261 0.000 2.406 57 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 57 I C 0.937 176.908 176.117 -0.243 0.000 0.999 57 I CA -0.284 60.853 61.300 -0.271 0.000 1.124 57 I CB 2.521 40.364 38.000 -0.262 0.000 1.289 57 I HN 0.777 nan 8.210 nan 0.000 0.441 58 T N 3.200 117.586 114.554 -0.279 0.000 2.643 58 T HA -0.111 4.239 4.350 -0.000 0.000 0.264 58 T C 0.772 175.400 174.700 -0.121 0.000 1.045 58 T CA 1.465 63.421 62.100 -0.240 0.000 1.155 58 T CB -0.057 68.667 68.868 -0.241 0.000 0.863 58 T HN 0.586 nan 8.240 nan 0.000 0.420 59 D N 0.174 120.506 120.400 -0.114 0.000 2.267 59 D HA 0.239 4.879 4.640 -0.000 0.000 0.258 59 D C 0.065 176.404 176.300 0.066 0.000 1.207 59 D CA 0.658 54.639 54.000 -0.031 0.000 0.954 59 D CB -0.083 40.662 40.800 -0.091 0.000 0.975 59 D HN 0.550 nan 8.370 nan 0.000 0.371 60 Y N -1.478 118.863 120.300 0.069 0.000 2.625 60 Y HA 0.647 5.197 4.550 -0.000 0.000 0.338 60 Y C -1.742 174.147 175.900 -0.019 0.000 1.123 60 Y CA -1.683 56.438 58.100 0.034 0.000 1.046 60 Y CB 0.811 39.319 38.460 0.080 0.000 1.299 60 Y HN -0.033 nan 8.280 nan 0.000 0.464 61 L N 3.390 124.747 121.223 0.224 0.000 2.305 61 L HA 0.683 5.023 4.340 -0.000 0.000 0.284 61 L C -1.619 175.320 176.870 0.115 0.000 1.013 61 L CA -0.799 54.093 54.840 0.087 0.000 0.819 61 L CB 1.387 43.431 42.059 -0.026 0.000 1.227 61 L HN 0.829 nan 8.230 nan 0.000 0.417 62 L N 5.667 126.936 121.223 0.077 0.000 2.372 62 L HA 0.602 4.942 4.340 -0.000 0.000 0.274 62 L C -1.770 175.099 176.870 -0.001 0.000 0.988 62 L CA -0.537 54.269 54.840 -0.056 0.000 0.833 62 L CB 1.246 43.152 42.059 -0.254 0.000 1.236 62 L HN 0.448 nan 8.230 nan 0.000 0.410 63 L N 5.761 127.009 121.223 0.041 0.000 2.307 63 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 63 L C -0.865 176.113 176.870 0.179 0.000 1.023 63 L CA -0.228 54.667 54.840 0.092 0.000 0.810 63 L CB 1.264 43.374 42.059 0.086 0.000 1.231 63 L HN 0.577 nan 8.230 nan 0.000 0.423 64 F N 3.700 123.650 119.950 0.001 0.000 2.607 64 F HA 0.441 4.968 4.527 -0.000 0.000 0.322 64 F C 0.456 176.256 175.800 0.001 0.000 1.176 64 F CA -0.710 57.319 58.000 0.048 0.000 0.977 64 F CB 0.987 40.008 39.000 0.035 0.000 1.242 64 F HN 0.512 nan 8.300 nan 0.000 0.465 65 R N 3.436 123.583 120.500 -0.588 0.000 3.225 65 R HA -0.123 4.217 4.340 -0.000 0.000 0.245 65 R C -1.225 174.843 176.300 -0.387 0.000 0.928 65 R CA 0.603 56.389 56.100 -0.524 0.000 0.632 65 R CB -1.882 27.910 30.300 -0.846 0.000 1.038 65 R HN 0.313 nan 8.270 nan 0.000 0.461 66 V N 3.193 123.016 119.914 -0.150 0.000 2.353 66 V HA 0.132 4.252 4.120 -0.000 0.000 0.264 66 V C 0.457 176.586 176.094 0.057 0.000 1.049 66 V CA -0.419 61.836 62.300 -0.074 0.000 0.896 66 V CB 0.491 32.320 31.823 0.011 0.000 1.025 66 V HN 0.081 nan 8.190 nan 0.000 0.475 67 Y N 2.606 122.776 120.300 -0.217 0.000 2.336 67 Y HA 0.459 5.009 4.550 -0.000 0.000 0.331 67 Y C 1.520 177.236 175.900 -0.308 0.000 1.211 67 Y CA 0.300 58.172 58.100 -0.380 0.000 1.346 67 Y CB 0.931 39.281 38.460 -0.183 0.000 1.271 67 Y HN 0.838 nan 8.280 nan 0.000 0.538 68 G N 2.448 110.948 108.800 -0.501 0.000 2.155 68 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 68 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 68 G C -0.243 174.822 174.900 0.276 0.000 0.983 68 G CA 0.215 45.320 45.100 0.009 0.000 0.676 68 G HN 0.599 nan 8.290 nan 0.000 0.528 69 L N 0.548 121.935 121.223 0.273 0.000 2.265 69 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 69 L C 1.425 178.373 176.870 0.131 0.000 1.033 69 L CA -0.829 54.169 54.840 0.264 0.000 0.814 69 L CB 0.523 42.589 42.059 0.012 0.000 1.203 69 L HN 0.119 nan 8.230 nan 0.000 0.423 70 E N 2.101 122.374 120.200 0.122 0.000 2.016 70 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 70 E C 0.212 176.848 176.600 0.060 0.000 0.985 70 E CA 0.663 57.125 56.400 0.103 0.000 0.802 70 E CB 0.172 29.937 29.700 0.107 0.000 0.762 70 E HN 0.528 nan 8.360 nan 0.000 0.448 71 S N -1.542 114.158 115.700 -0.001 0.000 2.552 71 S HA 0.272 4.742 4.470 -0.000 0.000 0.272 71 S C 0.205 174.742 174.600 -0.105 0.000 1.150 71 S CA -0.676 57.522 58.200 -0.003 0.000 0.849 71 S CB 0.511 63.754 63.200 0.072 0.000 1.113 71 S HN 0.074 nan 8.310 nan 0.000 0.458 72 L N 3.530 124.692 121.223 -0.101 0.000 2.395 72 L HA 0.114 4.454 4.340 -0.000 0.000 0.218 72 L C 2.597 179.345 176.870 -0.204 0.000 1.130 72 L CA 0.651 55.367 54.840 -0.206 0.000 0.826 72 L CB -0.436 41.559 42.059 -0.107 0.000 0.941 72 L HN 0.806 nan 8.230 nan 0.000 0.451 73 K N 0.651 120.992 120.400 -0.099 0.000 2.227 73 K HA -0.293 4.027 4.320 -0.000 0.000 0.208 73 K C 0.883 177.454 176.600 -0.047 0.000 1.045 73 K CA 2.183 58.441 56.287 -0.048 0.000 0.931 73 K CB -0.022 32.509 32.500 0.052 0.000 0.721 73 K HN 0.299 nan 8.250 nan 0.000 0.469 74 D N -0.563 119.780 120.400 -0.095 0.000 2.433 74 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 74 D C 1.184 177.382 176.300 -0.171 0.000 1.114 74 D CA -0.006 53.949 54.000 -0.075 0.000 0.837 74 D CB 0.523 41.306 40.800 -0.028 0.000 0.984 74 D HN 0.154 nan 8.370 nan 0.000 0.505 75 L N -1.024 119.997 121.223 -0.337 0.000 2.269 75 L HA 0.302 4.642 4.340 -0.000 0.000 0.200 75 L C 0.201 176.706 176.870 -0.609 0.000 1.069 75 L CA 1.028 55.514 54.840 -0.591 0.000 0.804 75 L CB 0.238 41.680 42.059 -1.028 0.000 0.987 75 L HN -0.187 nan 8.230 nan 0.000 0.468 76 F N -0.488 119.407 119.950 -0.093 0.000 2.542 76 F HA 0.346 4.873 4.527 -0.000 0.000 0.323 76 F C -1.674 173.957 175.800 -0.281 0.000 1.411 76 F CA -1.548 56.370 58.000 -0.137 0.000 1.124 76 F CB 0.293 39.200 39.000 -0.156 0.000 1.331 76 F HN -0.024 nan 8.300 nan 0.000 0.560 77 P HA -0.137 nan 4.420 nan 0.000 0.216 77 P C 0.783 177.782 177.300 -0.501 0.000 1.150 77 P CA 1.468 64.290 63.100 -0.462 0.000 0.837 77 P CB 0.227 31.830 31.700 -0.162 0.000 0.786 78 N N -1.440 117.139 118.700 -0.203 0.000 2.214 78 N HA 0.083 4.823 4.740 -0.000 0.000 0.214 78 N C -0.036 175.398 175.510 -0.127 0.000 1.132 78 N CA -0.307 52.653 53.050 -0.149 0.000 0.856 78 N CB -0.311 38.145 38.487 -0.052 0.000 1.020 78 N HN 0.060 nan 8.380 nan 0.000 0.509 79 L N 1.357 122.494 121.223 -0.144 0.000 2.562 79 L HA 0.102 4.442 4.340 -0.000 0.000 0.271 79 L C 0.794 177.563 176.870 -0.168 0.000 1.167 79 L CA 1.112 55.858 54.840 -0.156 0.000 0.917 79 L CB 0.052 42.008 42.059 -0.172 0.000 1.187 79 L HN 0.022 nan 8.230 nan 0.000 0.482 80 T N 3.164 117.647 114.554 -0.119 0.000 3.019 80 T HA 0.275 4.625 4.350 -0.000 0.000 0.247 80 T C 0.106 174.775 174.700 -0.051 0.000 0.992 80 T CA 0.203 62.255 62.100 -0.081 0.000 1.036 80 T CB 0.434 69.274 68.868 -0.046 0.000 1.063 80 T HN 0.282 nan 8.240 nan 0.000 0.476 81 V N 2.076 121.951 119.914 -0.065 0.000 2.638 81 V HA 0.522 4.642 4.120 -0.000 0.000 0.306 81 V C -1.128 174.923 176.094 -0.072 0.000 1.052 81 V CA -1.008 61.264 62.300 -0.047 0.000 0.885 81 V CB 2.326 34.125 31.823 -0.040 0.000 0.999 81 V HN 0.298 nan 8.190 nan 0.000 0.424 82 I N 5.272 125.824 120.570 -0.030 0.000 2.354 82 I HA 0.448 4.617 4.170 -0.000 0.000 0.286 82 I C 1.205 177.317 176.117 -0.008 0.000 1.007 82 I CA -0.629 60.653 61.300 -0.030 0.000 1.167 82 I CB 1.653 39.661 38.000 0.014 0.000 1.320 82 I HN 0.662 nan 8.210 nan 0.000 0.458 83 R N 4.346 124.823 120.500 -0.040 0.000 2.062 83 R HA 0.099 4.439 4.340 -0.000 0.000 0.226 83 R C 1.209 177.517 176.300 0.013 0.000 1.125 83 R CA 0.840 56.926 56.100 -0.022 0.000 0.966 83 R CB -0.481 29.786 30.300 -0.054 0.000 0.861 83 R HN 0.907 nan 8.270 nan 0.000 0.433 84 G N 1.922 110.735 108.800 0.022 0.000 2.333 84 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.296 84 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.296 84 G C 0.861 175.797 174.900 0.060 0.000 1.059 84 G CA 0.663 45.807 45.100 0.073 0.000 1.050 84 G HN 0.429 nan 8.290 nan 0.000 0.508 85 S N -0.902 114.821 115.700 0.039 0.000 2.359 85 S HA -0.015 4.455 4.470 -0.000 0.000 0.224 85 S C 1.275 175.906 174.600 0.053 0.000 1.035 85 S CA 1.297 59.523 58.200 0.043 0.000 1.018 85 S CB 0.194 63.421 63.200 0.046 0.000 0.876 85 S HN 0.744 nan 8.310 nan 0.000 0.448 86 R N 0.552 121.096 120.500 0.074 0.000 2.604 86 R HA 0.761 5.101 4.340 -0.000 0.000 0.287 86 R C -1.019 175.413 176.300 0.220 0.000 0.970 86 R CA -0.473 55.691 56.100 0.107 0.000 0.946 86 R CB 1.318 31.680 30.300 0.103 0.000 1.127 86 R HN 0.242 nan 8.270 nan 0.000 0.473 87 L N 1.779 123.114 121.223 0.186 0.000 2.354 87 L HA 0.492 4.832 4.340 -0.000 0.000 0.264 87 L C -0.742 176.157 176.870 0.049 0.000 1.008 87 L CA -0.923 54.038 54.840 0.203 0.000 0.819 87 L CB 1.590 43.679 42.059 0.051 0.000 1.339 87 L HN 0.500 nan 8.230 nan 0.000 0.420 88 F N 2.275 121.966 119.950 -0.432 0.000 2.405 88 F HA 0.295 4.822 4.527 -0.000 0.000 0.358 88 F C 0.312 176.020 175.800 -0.153 0.000 1.151 88 F CA 0.026 57.665 58.000 -0.601 0.000 1.161 88 F CB -0.188 38.030 39.000 -1.303 0.000 1.245 88 F HN 0.402 nan 8.300 nan 0.000 0.545 89 F N 5.186 124.827 119.950 -0.514 0.000 3.100 89 F HA -0.428 4.099 4.527 -0.000 0.000 0.284 89 F C 1.259 176.757 175.800 -0.504 0.000 0.875 89 F CA 1.376 59.118 58.000 -0.430 0.000 1.039 89 F CB -1.377 37.416 39.000 -0.344 0.000 1.111 89 F HN 0.831 nan 8.300 nan 0.000 0.575 90 N N -2.256 116.265 118.700 -0.298 0.000 3.002 90 N HA -0.263 4.476 4.740 -0.000 0.000 0.229 90 N C -0.554 174.720 175.510 -0.393 0.000 0.927 90 N CA 0.932 53.772 53.050 -0.349 0.000 0.980 90 N CB -1.468 36.782 38.487 -0.395 0.000 1.077 90 N HN 0.537 nan 8.380 nan 0.000 0.572 91 Y N 0.032 120.346 120.300 0.023 0.000 2.387 91 Y HA 0.662 5.212 4.550 -0.000 0.000 0.336 91 Y C 1.314 177.212 175.900 -0.003 0.000 1.067 91 Y CA -0.222 57.876 58.100 -0.004 0.000 1.114 91 Y CB 1.721 40.169 38.460 -0.021 0.000 1.208 91 Y HN 0.165 nan 8.280 nan 0.000 0.458 92 A N 2.556 125.491 122.820 0.191 0.000 2.014 92 A HA 0.224 4.544 4.320 -0.000 0.000 0.210 92 A C -0.288 177.401 177.584 0.176 0.000 1.188 92 A CA 0.447 52.593 52.037 0.180 0.000 0.731 92 A CB 0.352 19.434 19.000 0.136 0.000 0.858 92 A HN 0.573 nan 8.150 nan 0.000 0.464 93 L N 0.460 121.743 121.223 0.100 0.000 2.409 93 L HA 0.620 4.960 4.340 -0.000 0.000 0.272 93 L C -1.097 175.755 176.870 -0.029 0.000 0.980 93 L CA -0.769 54.106 54.840 0.058 0.000 0.826 93 L CB 2.361 44.465 42.059 0.074 0.000 1.268 93 L HN 0.232 nan 8.230 nan 0.000 0.407 94 V N 3.617 123.487 119.914 -0.073 0.000 2.447 94 V HA 0.645 4.764 4.120 -0.000 0.000 0.292 94 V C -0.746 175.327 176.094 -0.036 0.000 1.021 94 V CA -0.545 61.672 62.300 -0.138 0.000 0.850 94 V CB 1.361 32.987 31.823 -0.328 0.000 1.005 94 V HN 0.545 nan 8.190 nan 0.000 0.426 95 I N 6.003 126.597 120.570 0.039 0.000 2.359 95 I HA 0.729 4.899 4.170 -0.000 0.000 0.294 95 I C -0.464 175.778 176.117 0.207 0.000 0.987 95 I CA -0.884 60.485 61.300 0.114 0.000 1.225 95 I CB 1.318 39.387 38.000 0.115 0.000 1.366 95 I HN 0.858 nan 8.210 nan 0.000 0.466 96 F N 4.167 124.143 119.950 0.042 0.000 2.669 96 F HA 0.221 4.748 4.527 -0.000 0.000 0.315 96 F C 0.775 176.633 175.800 0.097 0.000 1.109 96 F CA -0.552 57.496 58.000 0.081 0.000 1.028 96 F CB 0.985 40.051 39.000 0.109 0.000 1.287 96 F HN 0.711 nan 8.300 nan 0.000 0.452 97 E N 3.196 123.104 120.200 -0.487 0.000 2.885 97 E HA -0.231 4.119 4.350 -0.000 0.000 0.267 97 E C -0.405 176.088 176.600 -0.178 0.000 1.100 97 E CA 0.935 57.099 56.400 -0.394 0.000 0.779 97 E CB -0.331 29.118 29.700 -0.419 0.000 1.383 97 E HN 0.428 nan 8.360 nan 0.000 0.443 98 M N 1.551 121.111 119.600 -0.066 0.000 3.011 98 M HA 0.105 4.584 4.480 -0.000 0.000 0.292 98 M C 0.299 176.631 176.300 0.053 0.000 1.440 98 M CA 0.025 55.331 55.300 0.010 0.000 1.552 98 M CB -0.545 32.083 32.600 0.047 0.000 1.187 98 M HN 0.089 nan 8.290 nan 0.000 0.520 99 V N 0.690 120.671 119.914 0.112 0.000 3.441 99 V HA 0.237 4.357 4.120 -0.000 0.000 0.300 99 V C 0.992 177.310 176.094 0.373 0.000 1.091 99 V CA -0.009 62.405 62.300 0.189 0.000 1.099 99 V CB 0.296 32.229 31.823 0.184 0.000 1.138 99 V HN 0.973 nan 8.190 nan 0.000 0.471 100 H N -2.213 116.829 119.070 -0.047 0.000 4.723 100 H HA -0.170 4.386 4.556 -0.000 0.000 0.103 100 H C 0.275 175.610 175.328 0.011 0.000 0.619 100 H CA 1.084 57.118 56.048 -0.023 0.000 1.203 100 H CB -1.691 28.065 29.762 -0.011 0.000 0.604 100 H HN 0.676 nan 8.280 nan 0.000 0.623 101 L N 3.400 124.713 121.223 0.150 0.000 2.456 101 L HA 0.162 4.502 4.340 -0.000 0.000 0.277 101 L C 1.324 178.244 176.870 0.083 0.000 1.124 101 L CA 0.711 55.611 54.840 0.101 0.000 0.880 101 L CB 0.392 42.501 42.059 0.083 0.000 1.192 101 L HN 0.431 nan 8.230 nan 0.000 0.463 102 K N 3.045 123.498 120.400 0.088 0.000 2.335 102 K HA 0.213 4.533 4.320 -0.000 0.000 0.195 102 K C -0.492 176.187 176.600 0.131 0.000 1.058 102 K CA 0.103 56.437 56.287 0.079 0.000 0.988 102 K CB 0.291 32.827 32.500 0.060 0.000 0.880 102 K HN 0.627 nan 8.250 nan 0.000 0.513 103 E N 0.981 121.292 120.200 0.185 0.000 2.275 103 E HA 0.206 4.555 4.350 -0.000 0.000 0.270 103 E C 0.112 176.855 176.600 0.238 0.000 0.882 103 E CA -0.631 55.942 56.400 0.289 0.000 0.758 103 E CB 1.829 31.763 29.700 0.390 0.000 1.195 103 E HN -0.108 nan 8.360 nan 0.000 0.419 104 L N 2.030 123.432 121.223 0.298 0.000 2.046 104 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 104 L C 1.542 178.517 176.870 0.176 0.000 1.077 104 L CA 2.045 57.050 54.840 0.275 0.000 0.747 104 L CB -0.683 41.633 42.059 0.429 0.000 0.896 104 L HN 1.126 nan 8.230 nan 0.000 0.432 105 G N 0.052 108.985 108.800 0.222 0.000 2.175 105 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.265 105 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.265 105 G C 0.411 175.183 174.900 -0.214 0.000 0.979 105 G CA 0.201 45.341 45.100 0.067 0.000 0.663 105 G HN 0.334 nan 8.290 nan 0.000 0.533 106 L N 1.485 122.429 121.223 -0.465 0.000 2.399 106 L HA 0.302 4.642 4.340 -0.000 0.000 0.257 106 L C 1.782 177.646 176.870 -1.677 0.000 1.236 106 L CA -0.719 53.614 54.840 -0.846 0.000 1.144 106 L CB -0.525 41.167 42.059 -0.611 0.000 1.379 106 L HN 0.449 nan 8.230 nan 0.000 0.414 107 Y N -0.909 118.675 120.300 -1.193 0.000 2.561 107 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 107 Y C 1.556 177.093 175.900 -0.606 0.000 1.141 107 Y CA 0.360 57.721 58.100 -1.230 0.000 1.303 107 Y CB -0.547 37.621 38.460 -0.486 0.000 1.015 107 Y HN 0.381 nan 8.280 nan 0.000 0.547 108 N N -0.092 118.238 118.700 -0.618 0.000 2.388 108 N HA 0.069 4.809 4.740 -0.000 0.000 0.176 108 N C -0.293 175.109 175.510 -0.179 0.000 1.062 108 N CA -0.253 52.628 53.050 -0.281 0.000 0.895 108 N CB 0.165 38.464 38.487 -0.313 0.000 1.018 108 N HN 0.126 nan 8.380 nan 0.000 0.456 109 L N 1.596 122.651 121.223 -0.279 0.000 2.667 109 L HA -0.126 4.214 4.340 -0.000 0.000 0.278 109 L C 0.679 177.586 176.870 0.062 0.000 1.217 109 L CA 0.777 55.555 54.840 -0.103 0.000 0.935 109 L CB 0.354 42.338 42.059 -0.124 0.000 1.193 109 L HN 0.200 nan 8.230 nan 0.000 0.493 110 M N 1.827 121.466 119.600 0.065 0.000 3.033 110 M HA 0.222 4.701 4.480 -0.000 0.000 0.185 110 M C 0.263 176.621 176.300 0.097 0.000 1.978 110 M CA -0.064 55.290 55.300 0.090 0.000 1.443 110 M CB -0.438 32.200 32.600 0.063 0.000 1.152 110 M HN 0.361 nan 8.290 nan 0.000 0.605 111 N N 1.919 120.659 118.700 0.066 0.000 2.411 111 N HA 0.340 5.080 4.740 -0.000 0.000 0.259 111 N C -1.005 174.554 175.510 0.080 0.000 1.103 111 N CA 0.159 53.248 53.050 0.066 0.000 0.954 111 N CB 0.303 38.806 38.487 0.027 0.000 1.085 111 N HN 0.279 nan 8.380 nan 0.000 0.485 112 I N 2.229 122.873 120.570 0.124 0.000 2.417 112 I HA 0.049 4.219 4.170 -0.000 0.000 0.283 112 I C 0.741 176.914 176.117 0.094 0.000 1.121 112 I CA -0.570 60.802 61.300 0.119 0.000 1.211 112 I CB 0.025 38.134 38.000 0.181 0.000 1.492 112 I HN 0.424 nan 8.210 nan 0.000 0.522 113 T N 2.533 117.123 114.554 0.059 0.000 2.866 113 T HA 0.225 4.575 4.350 -0.000 0.000 0.293 113 T C 0.624 175.350 174.700 0.043 0.000 1.005 113 T CA 0.225 62.350 62.100 0.041 0.000 1.162 113 T CB 1.068 69.946 68.868 0.017 0.000 0.968 113 T HN 0.792 nan 8.240 nan 0.000 0.530 114 R N 2.482 123.008 120.500 0.043 0.000 4.097 114 R HA -0.082 4.258 4.340 -0.000 0.000 0.158 114 R C 0.738 177.067 176.300 0.047 0.000 0.266 114 R CA 1.581 57.705 56.100 0.041 0.000 0.693 114 R CB -1.723 28.601 30.300 0.039 0.000 0.997 114 R HN 1.439 nan 8.270 nan 0.000 0.558 115 G N 0.680 109.513 108.800 0.055 0.000 2.720 115 G HA2 0.338 4.298 3.960 -0.000 0.000 0.237 115 G HA3 0.338 4.298 3.960 -0.000 0.000 0.237 115 G C -0.018 174.927 174.900 0.075 0.000 1.239 115 G CA 0.301 45.434 45.100 0.055 0.000 0.847 115 G HN 0.881 nan 8.290 nan 0.000 0.593 116 S N -1.409 114.349 115.700 0.097 0.000 2.719 116 S HA 0.699 5.169 4.470 -0.000 0.000 0.285 116 S C -0.293 174.396 174.600 0.148 0.000 1.137 116 S CA -0.829 57.440 58.200 0.115 0.000 1.012 116 S CB 1.653 64.924 63.200 0.117 0.000 1.134 116 S HN 0.612 nan 8.310 nan 0.000 0.544 117 V N 0.798 120.690 119.914 -0.036 0.000 2.581 117 V HA 0.708 4.828 4.120 -0.000 0.000 0.303 117 V C -0.352 175.537 176.094 -0.342 0.000 1.041 117 V CA -0.789 61.378 62.300 -0.222 0.000 0.907 117 V CB 1.332 32.814 31.823 -0.569 0.000 0.994 117 V HN 0.854 nan 8.190 nan 0.000 0.442 118 R N 3.857 124.097 120.500 -0.434 0.000 2.412 118 R HA 0.659 4.999 4.340 -0.000 0.000 0.304 118 R C -1.532 174.635 176.300 -0.221 0.000 1.066 118 R CA -0.166 55.614 56.100 -0.533 0.000 0.923 118 R CB 0.633 30.271 30.300 -1.102 0.000 1.156 118 R HN 0.771 nan 8.270 nan 0.000 0.513 119 I N 4.437 124.942 120.570 -0.109 0.000 2.410 119 I HA 0.432 4.602 4.170 -0.000 0.000 0.286 119 I C -0.463 175.686 176.117 0.054 0.000 1.009 119 I CA -0.530 60.777 61.300 0.013 0.000 1.111 119 I CB 1.718 39.740 38.000 0.037 0.000 1.262 119 I HN 0.674 nan 8.210 nan 0.000 0.443 120 E N 5.123 125.396 120.200 0.120 0.000 2.423 120 E HA 0.448 4.798 4.350 -0.000 0.000 0.280 120 E C -0.754 175.792 176.600 -0.090 0.000 1.030 120 E CA -1.023 55.416 56.400 0.064 0.000 0.812 120 E CB 1.566 31.353 29.700 0.146 0.000 1.313 120 E HN 0.368 nan 8.360 nan 0.000 0.456 121 K N 0.239 120.560 120.400 -0.132 0.000 3.129 121 K HA -0.148 4.172 4.320 -0.000 0.000 0.273 121 K C -0.208 176.280 176.600 -0.186 0.000 1.123 121 K CA 0.956 57.111 56.287 -0.221 0.000 0.800 121 K CB -1.463 30.777 32.500 -0.433 0.000 1.238 121 K HN 0.539 nan 8.250 nan 0.000 0.492 122 N N 1.125 119.768 118.700 -0.095 0.000 2.251 122 N HA -0.036 4.703 4.740 -0.000 0.000 0.217 122 N C -0.183 175.310 175.510 -0.030 0.000 1.124 122 N CA -0.260 52.762 53.050 -0.047 0.000 0.843 122 N CB 0.155 38.643 38.487 0.001 0.000 1.024 122 N HN 0.274 nan 8.380 nan 0.000 0.501 123 N N 3.017 121.689 118.700 -0.046 0.000 2.862 123 N HA -0.235 4.505 4.740 -0.000 0.000 0.315 123 N C -0.691 174.794 175.510 -0.042 0.000 1.129 123 N CA 1.211 54.234 53.050 -0.045 0.000 0.806 123 N CB -0.280 38.176 38.487 -0.053 0.000 1.009 123 N HN 0.372 nan 8.380 nan 0.000 0.601 124 E N -0.523 119.656 120.200 -0.035 0.000 2.493 124 E HA -0.195 4.155 4.350 -0.000 0.000 0.324 124 E C -1.323 175.274 176.600 -0.005 0.000 0.983 124 E CA 0.012 56.393 56.400 -0.033 0.000 0.972 124 E CB -1.249 28.420 29.700 -0.051 0.000 1.365 124 E HN 0.453 nan 8.360 nan 0.000 0.404 125 L N 0.545 121.770 121.223 0.003 0.000 2.406 125 L HA 0.486 4.826 4.340 -0.000 0.000 0.270 125 L C -0.204 176.680 176.870 0.023 0.000 0.982 125 L CA -0.271 54.590 54.840 0.036 0.000 0.843 125 L CB 1.341 43.435 42.059 0.059 0.000 1.225 125 L HN 0.249 nan 8.230 nan 0.000 0.412 126 c N 1.897 120.500 118.600 0.005 0.000 2.123 126 c HA 0.367 4.937 4.570 -0.000 0.000 0.304 126 c C 0.089 174.196 174.090 0.027 0.000 2.981 126 c CA -0.365 55.916 56.329 -0.079 0.000 1.895 126 c CB 0.275 42.615 42.510 -0.283 0.000 2.561 126 c HN 0.798 nan 8.230 nan 0.000 0.336 127 Y N 0.853 121.192 120.300 0.064 0.000 3.029 127 Y HA -0.202 4.347 4.550 -0.000 0.000 0.220 127 Y C 0.926 176.860 175.900 0.056 0.000 1.079 127 Y CA 0.262 58.392 58.100 0.051 0.000 0.772 127 Y CB -0.883 37.630 38.460 0.088 0.000 1.094 127 Y HN 0.392 nan 8.280 nan 0.000 0.423 128 L N -0.682 120.625 121.223 0.141 0.000 2.902 128 L HA 0.287 4.627 4.340 -0.000 0.000 0.254 128 L C 1.834 178.778 176.870 0.124 0.000 1.115 128 L CA 0.850 55.785 54.840 0.157 0.000 0.947 128 L CB 0.403 42.550 42.059 0.146 0.000 1.369 128 L HN 0.428 nan 8.230 nan 0.000 0.538 129 A N -1.194 121.663 122.820 0.061 0.000 2.390 129 A HA 0.143 4.463 4.320 -0.000 0.000 0.232 129 A C 1.604 179.177 177.584 -0.020 0.000 1.233 129 A CA 0.585 52.644 52.037 0.036 0.000 0.907 129 A CB -0.247 18.768 19.000 0.025 0.000 0.967 129 A HN 0.290 nan 8.150 nan 0.000 0.512 130 T N 0.489 115.022 114.554 -0.036 0.000 3.054 130 T HA 0.191 4.541 4.350 -0.000 0.000 0.259 130 T C 0.886 175.427 174.700 -0.265 0.000 1.092 130 T CA 0.582 62.629 62.100 -0.088 0.000 1.121 130 T CB -0.561 68.312 68.868 0.010 0.000 0.912 130 T HN 0.598 nan 8.240 nan 0.000 0.489 131 I N 0.539 120.867 120.570 -0.403 0.000 2.342 131 I HA 0.506 4.676 4.170 -0.000 0.000 0.291 131 I C -0.906 174.847 176.117 -0.607 0.000 1.010 131 I CA -0.898 59.941 61.300 -0.769 0.000 1.308 131 I CB 0.758 37.930 38.000 -1.379 0.000 1.400 131 I HN -0.241 nan 8.210 nan 0.000 0.488 132 D N 5.944 126.044 120.400 -0.500 0.000 2.325 132 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 132 D C 0.045 176.154 176.300 -0.319 0.000 1.196 132 D CA -0.084 53.742 54.000 -0.291 0.000 0.866 132 D CB 0.621 41.303 40.800 -0.196 0.000 1.101 132 D HN 0.636 nan 8.370 nan 0.000 0.476 133 W N 2.420 123.685 121.300 -0.057 0.000 3.180 133 W HA 0.019 4.678 4.660 -0.000 0.000 0.254 133 W C 2.436 178.963 176.519 0.013 0.000 1.318 133 W CA -0.237 57.107 57.345 -0.001 0.000 1.608 133 W CB 0.069 29.541 29.460 0.020 0.000 1.124 133 W HN 0.376 nan 8.180 nan 0.000 0.694 134 S N 1.181 116.972 115.700 0.151 0.000 2.365 134 S HA -0.208 4.262 4.470 -0.000 0.000 0.221 134 S C 2.091 176.746 174.600 0.091 0.000 1.037 134 S CA 1.294 59.554 58.200 0.101 0.000 1.060 134 S CB -0.114 63.110 63.200 0.041 0.000 0.974 134 S HN 0.108 nan 8.310 nan 0.000 0.427 135 R N 0.541 121.067 120.500 0.043 0.000 2.341 135 R HA 0.104 4.444 4.340 -0.000 0.000 0.213 135 R C 1.764 178.114 176.300 0.083 0.000 1.082 135 R CA 0.689 56.815 56.100 0.044 0.000 1.017 135 R CB -0.639 29.665 30.300 0.006 0.000 0.860 135 R HN 0.563 nan 8.270 nan 0.000 0.473 136 I N -0.624 120.030 120.570 0.139 0.000 3.883 136 I HA 0.018 4.188 4.170 -0.000 0.000 0.305 136 I C -0.135 176.133 176.117 0.252 0.000 1.247 136 I CA 0.040 61.468 61.300 0.213 0.000 1.350 136 I CB 0.348 38.517 38.000 0.282 0.000 1.194 136 I HN -0.118 nan 8.210 nan 0.000 0.441 137 L N 1.310 122.689 121.223 0.261 0.000 2.305 137 L HA 0.269 4.609 4.340 -0.000 0.000 0.284 137 L C 0.448 177.396 176.870 0.130 0.000 1.013 137 L CA -0.008 54.946 54.840 0.190 0.000 0.819 137 L CB 0.917 43.089 42.059 0.187 0.000 1.227 137 L HN -0.078 nan 8.230 nan 0.000 0.417 138 D N 0.664 121.121 120.400 0.096 0.000 2.417 138 D HA -0.076 4.564 4.640 -0.000 0.000 0.225 138 D C 0.473 176.814 176.300 0.069 0.000 0.983 138 D CA 0.861 54.904 54.000 0.072 0.000 0.949 138 D CB 0.256 41.088 40.800 0.053 0.000 0.879 138 D HN 0.377 nan 8.370 nan 0.000 0.520 139 S N -1.495 114.253 115.700 0.079 0.000 2.604 139 S HA 0.224 4.694 4.470 -0.000 0.000 0.296 139 S C -0.170 174.474 174.600 0.074 0.000 1.097 139 S CA -0.452 57.791 58.200 0.072 0.000 0.883 139 S CB 0.809 64.042 63.200 0.055 0.000 1.081 139 S HN -0.075 nan 8.310 nan 0.000 0.448 140 V N 1.822 121.779 119.914 0.073 0.000 3.477 140 V HA 0.446 4.566 4.120 -0.000 0.000 0.297 140 V C 1.444 177.567 176.094 0.047 0.000 1.433 140 V CA 0.994 63.330 62.300 0.060 0.000 1.052 140 V CB -0.445 31.427 31.823 0.081 0.000 0.895 140 V HN 0.829 nan 8.190 nan 0.000 0.438 141 E N 1.689 121.919 120.200 0.050 0.000 2.082 141 E HA -0.313 4.037 4.350 -0.000 0.000 0.215 141 E C 1.045 177.680 176.600 0.060 0.000 1.048 141 E CA 2.462 58.891 56.400 0.048 0.000 0.869 141 E CB -0.371 29.355 29.700 0.043 0.000 0.773 141 E HN 0.655 nan 8.360 nan 0.000 0.466 142 D N 0.775 121.216 120.400 0.067 0.000 2.395 142 D HA 0.030 4.670 4.640 -0.000 0.000 0.250 142 D C -0.031 176.361 176.300 0.154 0.000 1.203 142 D CA 0.021 54.081 54.000 0.100 0.000 0.872 142 D CB -0.167 40.675 40.800 0.070 0.000 0.941 142 D HN 0.051 nan 8.370 nan 0.000 0.504 143 N N 0.414 119.168 118.700 0.091 0.000 2.285 143 N HA 0.092 4.832 4.740 -0.000 0.000 0.262 143 N C -0.360 175.216 175.510 0.111 0.000 1.299 143 N CA 0.373 53.444 53.050 0.036 0.000 0.930 143 N CB 0.445 38.883 38.487 -0.081 0.000 1.157 143 N HN 0.156 nan 8.380 nan 0.000 0.532 144 H N 0.339 119.320 119.070 -0.147 0.000 3.291 144 H HA 0.178 4.734 4.556 -0.000 0.000 0.376 144 H C -1.410 173.826 175.328 -0.153 0.000 1.598 144 H CA -0.309 55.660 56.048 -0.131 0.000 1.599 144 H CB -0.089 29.575 29.762 -0.164 0.000 2.255 144 H HN 0.267 nan 8.280 nan 0.000 0.686 145 I N 4.415 124.882 120.570 -0.171 0.000 2.406 145 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 145 I C 0.440 176.472 176.117 -0.142 0.000 0.999 145 I CA -0.853 60.377 61.300 -0.117 0.000 1.124 145 I CB 1.552 39.517 38.000 -0.058 0.000 1.289 145 I HN 0.256 nan 8.210 nan 0.000 0.441 146 V N 3.717 123.569 119.914 -0.103 0.000 3.282 146 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 146 V C -0.586 175.480 176.094 -0.046 0.000 1.451 146 V CA -1.188 61.052 62.300 -0.100 0.000 1.062 146 V CB 1.879 33.607 31.823 -0.157 0.000 1.128 146 V HN 0.458 nan 8.190 nan 0.000 0.456 147 L N 1.767 122.966 121.223 -0.040 0.000 3.887 147 L HA -0.066 4.274 4.340 -0.000 0.000 0.546 147 L C -0.316 176.532 176.870 -0.037 0.000 1.196 147 L CA 1.865 56.685 54.840 -0.033 0.000 0.777 147 L CB -2.462 39.581 42.059 -0.027 0.000 1.346 147 L HN 1.344 nan 8.230 nan 0.000 0.810 148 N N -2.037 116.646 118.700 -0.029 0.000 2.961 148 N HA 0.217 4.957 4.740 -0.000 0.000 0.245 148 N C 0.336 175.832 175.510 -0.023 0.000 1.404 148 N CA -0.723 52.312 53.050 -0.025 0.000 0.880 148 N CB 0.739 39.220 38.487 -0.010 0.000 1.461 148 N HN 0.023 nan 8.380 nan 0.000 0.510 149 K N -0.511 119.873 120.400 -0.026 0.000 2.444 149 K HA -0.233 4.087 4.320 -0.000 0.000 0.200 149 K C 0.362 176.941 176.600 -0.035 0.000 1.045 149 K CA 1.501 57.767 56.287 -0.035 0.000 0.934 149 K CB -0.083 32.391 32.500 -0.043 0.000 0.756 149 K HN 0.625 nan 8.250 nan 0.000 0.477 150 D N 0.672 121.057 120.400 -0.025 0.000 2.312 150 D HA -0.121 4.519 4.640 -0.000 0.000 0.211 150 D C 0.346 176.634 176.300 -0.021 0.000 0.964 150 D CA 0.691 54.678 54.000 -0.023 0.000 0.877 150 D CB 0.143 40.942 40.800 -0.001 0.000 0.924 150 D HN 0.151 nan 8.370 nan 0.000 0.515 151 D N 0.613 120.999 120.400 -0.022 0.000 2.323 151 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 151 D C -0.300 175.986 176.300 -0.022 0.000 1.129 151 D CA 0.200 54.187 54.000 -0.022 0.000 0.865 151 D CB 0.040 40.825 40.800 -0.025 0.000 0.913 151 D HN 0.251 nan 8.370 nan 0.000 0.517 152 N N -0.317 118.368 118.700 -0.024 0.000 2.697 152 N HA 0.110 4.850 4.740 -0.000 0.000 0.272 152 N C 0.203 175.699 175.510 -0.024 0.000 1.381 152 N CA -0.552 52.483 53.050 -0.024 0.000 0.797 152 N CB 0.895 39.366 38.487 -0.027 0.000 1.523 152 N HN -0.219 nan 8.380 nan 0.000 0.518 153 E N 0.850 121.037 120.200 -0.021 0.000 2.385 153 E HA -0.024 4.326 4.350 -0.000 0.000 0.201 153 E C -0.153 176.432 176.600 -0.026 0.000 1.250 153 E CA 0.577 56.964 56.400 -0.020 0.000 1.104 153 E CB -0.114 29.576 29.700 -0.017 0.000 1.174 153 E HN 0.404 nan 8.360 nan 0.000 0.461 154 E N -0.955 119.226 120.200 -0.032 0.000 2.571 154 E HA 0.051 4.401 4.350 -0.000 0.000 0.222 154 E C -0.042 176.526 176.600 -0.053 0.000 0.904 154 E CA -0.053 56.323 56.400 -0.039 0.000 1.157 154 E CB 0.411 30.088 29.700 -0.039 0.000 1.158 154 E HN 0.023 nan 8.360 nan 0.000 0.540 155 c N 2.083 120.649 118.600 -0.057 0.000 2.223 155 c HA 0.603 5.173 4.570 -0.000 0.000 0.324 155 c C 0.863 174.893 174.090 -0.100 0.000 1.196 155 c CA -0.415 55.862 56.329 -0.087 0.000 1.628 155 c CB -0.624 41.834 42.510 -0.086 0.000 2.229 155 c HN 0.323 nan 8.230 nan 0.000 0.486 156 G N 5.417 114.142 108.800 -0.126 0.000 2.663 156 G HA2 0.312 4.272 3.960 -0.000 0.000 0.320 156 G HA3 0.312 4.272 3.960 -0.000 0.000 0.320 156 G C -0.418 174.374 174.900 -0.181 0.000 0.937 156 G CA -0.154 44.881 45.100 -0.109 0.000 1.332 156 G HN 0.816 nan 8.290 nan 0.000 0.461 157 D N 2.774 123.100 120.400 -0.123 0.000 2.317 157 D HA 0.273 4.913 4.640 -0.000 0.000 0.234 157 D C 0.464 176.891 176.300 0.212 0.000 1.112 157 D CA 0.140 54.126 54.000 -0.023 0.000 0.840 157 D CB 2.114 42.948 40.800 0.057 0.000 1.078 157 D HN 0.470 nan 8.370 nan 0.000 0.486 158 I N -0.827 119.997 120.570 0.424 0.000 2.468 158 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 158 I C 0.129 176.361 176.117 0.192 0.000 1.038 158 I CA -0.820 60.627 61.300 0.246 0.000 1.083 158 I CB 1.284 39.392 38.000 0.180 0.000 1.223 158 I HN 0.196 nan 8.210 nan 0.000 0.443 159 c N 4.072 122.725 118.600 0.088 0.000 2.791 159 c HA 0.223 4.793 4.570 -0.000 0.000 0.288 159 c C -0.483 173.582 174.090 -0.043 0.000 1.271 159 c CA 0.006 56.333 56.329 -0.005 0.000 1.726 159 c CB -0.921 41.584 42.510 -0.009 0.000 2.145 159 c HN 0.679 nan 8.230 nan 0.000 0.572 160 P HA 0.215 nan 4.420 nan 0.000 0.217 160 P C 0.894 178.149 177.300 -0.075 0.000 1.235 160 P CA 2.106 65.184 63.100 -0.036 0.000 0.726 160 P CB -0.057 31.637 31.700 -0.010 0.000 0.664 161 G N -3.283 105.480 108.800 -0.061 0.000 2.445 161 G HA2 0.045 4.004 3.960 -0.000 0.000 0.104 161 G HA3 0.045 4.004 3.960 -0.000 0.000 0.104 161 G C -0.420 174.448 174.900 -0.053 0.000 0.958 161 G CA 0.549 45.587 45.100 -0.104 0.000 1.324 161 G HN 0.481 nan 8.290 nan 0.000 0.549 162 T N 0.643 115.147 114.554 -0.084 0.000 3.316 162 T HA 0.642 4.991 4.350 -0.000 0.000 0.253 162 T C 0.404 175.080 174.700 -0.040 0.000 0.995 162 T CA 1.071 63.141 62.100 -0.051 0.000 1.031 162 T CB -0.411 68.413 68.868 -0.074 0.000 1.125 162 T HN 1.641 nan 8.240 nan 0.000 0.539 163 A N 1.308 124.111 122.820 -0.029 0.000 2.500 163 A HA 0.450 4.770 4.320 -0.000 0.000 0.210 163 A C 0.380 177.957 177.584 -0.012 0.000 1.342 163 A CA -0.357 51.667 52.037 -0.022 0.000 1.079 163 A CB 0.154 19.137 19.000 -0.028 0.000 1.112 163 A HN 0.325 nan 8.150 nan 0.000 0.470 164 K N -1.898 118.498 120.400 -0.008 0.000 1.226 164 K HA -0.037 4.283 4.320 -0.000 0.000 0.750 164 K C 0.890 177.489 176.600 -0.001 0.000 1.872 164 K CA 2.197 58.484 56.287 0.000 0.000 1.268 164 K CB -1.419 31.083 32.500 0.003 0.000 2.312 164 K HN 2.222 nan 8.250 nan 0.000 0.456 165 G N -0.081 108.721 108.800 0.003 0.000 2.594 165 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 165 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 165 G C 0.177 175.081 174.900 0.006 0.000 1.163 165 G CA 1.395 46.497 45.100 0.003 0.000 1.074 165 G HN 0.926 nan 8.290 nan 0.000 0.589 166 K N -1.944 118.460 120.400 0.006 0.000 3.248 166 K HA 0.604 4.924 4.320 -0.000 0.000 0.312 166 K C 0.698 177.303 176.600 0.008 0.000 1.021 166 K CA 0.475 56.768 56.287 0.010 0.000 1.263 166 K CB -0.166 32.341 32.500 0.011 0.000 3.424 166 K HN 1.007 nan 8.250 nan 0.000 1.112 167 T N 0.291 114.852 114.554 0.011 0.000 2.834 167 T HA 0.177 4.527 4.350 -0.000 0.000 0.298 167 T C -0.073 174.631 174.700 0.007 0.000 0.966 167 T CA 0.072 62.180 62.100 0.013 0.000 1.141 167 T CB -0.079 68.803 68.868 0.023 0.000 0.905 167 T HN 0.582 nan 8.240 nan 0.000 0.535 168 N N 2.842 121.542 118.700 -0.000 0.000 1.938 168 N HA 0.177 4.917 4.740 -0.000 0.000 0.225 168 N C -0.748 174.753 175.510 -0.014 0.000 1.400 168 N CA -0.248 52.797 53.050 -0.008 0.000 0.772 168 N CB 0.244 38.719 38.487 -0.019 0.000 1.124 168 N HN 0.563 nan 8.380 nan 0.000 0.513 169 c N 1.406 119.996 118.600 -0.015 0.000 2.349 169 c HA 0.702 5.272 4.570 -0.000 0.000 0.361 169 c C -1.784 172.297 174.090 -0.014 0.000 1.189 169 c CA -0.833 55.481 56.329 -0.026 0.000 2.155 169 c CB 1.294 43.776 42.510 -0.048 0.000 2.336 169 c HN 0.303 nan 8.230 nan 0.000 0.540 170 P HA 0.614 nan 4.420 nan 0.000 0.277 170 P C -1.175 176.080 177.300 -0.076 0.000 1.271 170 P CA -0.102 62.983 63.100 -0.024 0.000 0.795 170 P CB 0.525 32.207 31.700 -0.029 0.000 1.101 171 A N -0.447 122.292 122.820 -0.136 0.000 2.612 171 A HA 0.727 5.047 4.320 -0.000 0.000 0.293 171 A C -0.926 176.288 177.584 -0.616 0.000 1.075 171 A CA -0.368 51.483 52.037 -0.310 0.000 0.680 171 A CB 1.122 19.973 19.000 -0.248 0.000 1.279 171 A HN 0.599 nan 8.150 nan 0.000 0.411 172 T N -2.254 111.919 114.554 -0.635 0.000 2.906 172 T HA 0.616 4.966 4.350 -0.000 0.000 0.295 172 T C -0.518 173.851 174.700 -0.551 0.000 1.075 172 T CA -0.134 61.604 62.100 -0.602 0.000 1.005 172 T CB 1.509 70.207 68.868 -0.283 0.000 1.136 172 T HN 1.784 nan 8.240 nan 0.000 0.498 173 V N 2.393 122.108 119.914 -0.333 0.000 2.940 173 V HA 0.297 4.417 4.120 -0.000 0.000 0.366 173 V C 0.907 176.990 176.094 -0.020 0.000 1.353 173 V CA -0.540 61.709 62.300 -0.085 0.000 1.232 173 V CB -1.062 30.880 31.823 0.199 0.000 1.278 173 V HN 0.863 nan 8.190 nan 0.000 0.546 174 I N 1.079 121.619 120.570 -0.050 0.000 3.001 174 I HA -0.011 4.159 4.170 -0.000 0.000 0.268 174 I C 1.818 177.937 176.117 0.004 0.000 1.267 174 I CA 0.979 62.272 61.300 -0.011 0.000 1.472 174 I CB -0.892 37.101 38.000 -0.011 0.000 1.089 174 I HN 0.481 nan 8.210 nan 0.000 0.468 175 N N 1.084 119.781 118.700 -0.005 0.000 2.322 175 N HA 0.071 4.811 4.740 -0.000 0.000 0.194 175 N C 1.365 176.887 175.510 0.021 0.000 1.126 175 N CA 0.783 53.838 53.050 0.009 0.000 0.845 175 N CB 0.304 38.792 38.487 0.001 0.000 0.976 175 N HN 0.397 nan 8.380 nan 0.000 0.475 176 G N -0.283 108.535 108.800 0.030 0.000 2.253 176 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 176 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 176 G C -0.305 174.632 174.900 0.062 0.000 0.998 176 G CA 0.461 45.587 45.100 0.044 0.000 0.621 176 G HN 0.532 nan 8.290 nan 0.000 0.524 177 Q N -0.728 119.106 119.800 0.057 0.000 2.340 177 Q HA 0.631 4.971 4.340 -0.000 0.000 0.268 177 Q C -0.965 175.094 176.000 0.099 0.000 1.031 177 Q CA -1.075 54.777 55.803 0.082 0.000 0.804 177 Q CB 1.985 30.754 28.738 0.052 0.000 1.286 177 Q HN 0.171 nan 8.270 nan 0.000 0.448 178 F N 3.175 123.125 119.950 -0.000 0.000 2.600 178 F HA 0.229 4.756 4.527 -0.000 0.000 0.345 178 F C -0.402 175.394 175.800 -0.006 0.000 1.271 178 F CA -0.235 57.763 58.000 -0.003 0.000 1.138 178 F CB 0.285 39.284 39.000 -0.002 0.000 1.449 178 F HN 0.331 nan 8.300 nan 0.000 0.645 179 V N 5.299 125.166 119.914 -0.078 0.000 2.715 179 V HA 0.396 4.516 4.120 -0.000 0.000 0.310 179 V C 0.144 176.172 176.094 -0.109 0.000 1.054 179 V CA -0.695 61.579 62.300 -0.043 0.000 0.928 179 V CB 1.640 33.443 31.823 -0.034 0.000 1.007 179 V HN 0.543 nan 8.190 nan 0.000 0.437 180 E N 3.832 124.000 120.200 -0.053 0.000 2.425 180 E HA 0.289 4.639 4.350 -0.000 0.000 0.258 180 E C -0.821 175.714 176.600 -0.109 0.000 1.151 180 E CA -0.181 56.177 56.400 -0.070 0.000 0.958 180 E CB 0.498 30.182 29.700 -0.025 0.000 0.968 180 E HN 0.461 nan 8.360 nan 0.000 0.451 181 R N 0.423 120.842 120.500 -0.136 0.000 2.564 181 R HA 0.442 4.782 4.340 -0.000 0.000 0.284 181 R C -0.772 175.393 176.300 -0.225 0.000 1.031 181 R CA -0.536 55.443 56.100 -0.202 0.000 0.904 181 R CB 0.805 30.958 30.300 -0.245 0.000 1.199 181 R HN 0.803 nan 8.270 nan 0.000 0.443 182 c N -1.394 117.030 118.600 -0.294 0.000 3.275 182 c HA 0.542 5.112 4.570 -0.000 0.000 0.340 182 c C 0.092 173.948 174.090 -0.390 0.000 1.366 182 c CA -1.007 55.134 56.329 -0.313 0.000 1.227 182 c CB 0.884 43.276 42.510 -0.197 0.000 1.512 182 c HN 0.987 nan 8.230 nan 0.000 0.461 183 W N 1.499 122.706 121.300 -0.155 0.000 2.683 183 W HA 0.317 4.977 4.660 -0.000 0.000 0.267 183 W C 1.496 177.855 176.519 -0.266 0.000 1.243 183 W CA 1.240 58.512 57.345 -0.122 0.000 1.380 183 W CB 0.095 29.543 29.460 -0.021 0.000 1.063 183 W HN 1.087 nan 8.180 nan 0.000 0.599 184 T N -4.725 109.671 114.554 -0.264 0.000 2.647 184 T HA 0.101 4.451 4.350 -0.000 0.000 0.295 184 T C 0.925 175.149 174.700 -0.794 0.000 1.126 184 T CA -0.121 61.604 62.100 -0.625 0.000 1.040 184 T CB 0.931 69.773 68.868 -0.043 0.000 1.472 184 T HN 0.221 nan 8.240 nan 0.000 0.500 185 H N 0.282 119.106 119.070 -0.409 0.000 2.489 185 H HA -0.013 4.543 4.556 -0.000 0.000 0.295 185 H C 1.494 176.756 175.328 -0.109 0.000 1.082 185 H CA 1.978 57.963 56.048 -0.104 0.000 1.295 185 H CB -0.386 29.422 29.762 0.075 0.000 1.380 185 H HN 0.601 nan 8.280 nan 0.000 0.548 186 S N 0.018 115.155 115.700 -0.939 0.000 2.748 186 S HA 0.047 4.517 4.470 -0.000 0.000 0.241 186 S C 0.809 175.099 174.600 -0.516 0.000 1.064 186 S CA -0.552 57.186 58.200 -0.770 0.000 0.892 186 S CB -0.176 62.417 63.200 -1.012 0.000 0.810 186 S HN 0.421 nan 8.310 nan 0.000 0.555 187 H N 1.178 120.007 119.070 -0.402 0.000 2.819 187 H HA 0.341 4.897 4.556 -0.000 0.000 0.303 187 H C -0.177 175.074 175.328 -0.129 0.000 1.058 187 H CA -0.502 55.373 56.048 -0.288 0.000 1.471 187 H CB 0.239 29.779 29.762 -0.370 0.000 1.480 187 H HN 0.316 nan 8.280 nan 0.000 0.517 188 c N 2.918 121.509 118.600 -0.014 0.000 2.595 188 c HA 0.050 4.620 4.570 -0.000 0.000 0.384 188 c C 1.067 175.219 174.090 0.105 0.000 1.289 188 c CA -0.409 55.915 56.329 -0.007 0.000 2.372 188 c CB 0.681 43.170 42.510 -0.035 0.000 2.593 188 c HN 0.729 nan 8.230 nan 0.000 0.639 189 Q N 1.872 121.661 119.800 -0.019 0.000 2.288 189 Q HA 0.162 4.502 4.340 -0.000 0.000 0.258 189 Q C -0.272 175.761 176.000 0.055 0.000 0.957 189 Q CA 0.011 55.807 55.803 -0.011 0.000 0.919 189 Q CB 0.442 28.970 28.738 -0.349 0.000 1.185 189 Q HN 0.582 nan 8.270 nan 0.000 0.408 190 K N 3.123 123.619 120.400 0.159 0.000 2.402 190 K HA 0.179 4.499 4.320 -0.000 0.000 0.285 190 K C -1.133 175.501 176.600 0.056 0.000 1.054 190 K CA -0.178 56.171 56.287 0.103 0.000 1.001 190 K CB 0.441 33.020 32.500 0.132 0.000 0.946 190 K HN 0.394 nan 8.250 nan 0.000 0.473 191 V N 3.972 123.901 119.914 0.025 0.000 2.769 191 V HA 0.424 4.544 4.120 -0.000 0.000 0.312 191 V C -0.388 175.721 176.094 0.025 0.000 1.061 191 V CA -1.086 61.221 62.300 0.011 0.000 0.931 191 V CB 1.704 33.513 31.823 -0.023 0.000 1.010 191 V HN 0.885 nan 8.190 nan 0.000 0.433 192 c N 3.748 122.366 118.600 0.030 0.000 2.802 192 c HA 0.730 5.300 4.570 -0.000 0.000 0.307 192 c C -2.550 171.563 174.090 0.037 0.000 1.222 192 c CA -1.475 54.878 56.329 0.040 0.000 1.580 192 c CB 2.002 44.545 42.510 0.055 0.000 2.119 192 c HN 0.832 nan 8.230 nan 0.000 0.479 193 P HA 0.103 nan 4.420 nan 0.000 0.261 193 P C 0.923 178.244 177.300 0.036 0.000 1.203 193 P CA 0.545 63.664 63.100 0.032 0.000 0.767 193 P CB 0.357 32.072 31.700 0.026 0.000 0.785 194 T N 2.362 116.938 114.554 0.036 0.000 2.567 194 T HA -0.340 4.010 4.350 -0.000 0.000 0.261 194 T C 1.572 176.297 174.700 0.041 0.000 1.123 194 T CA 2.181 64.305 62.100 0.040 0.000 1.166 194 T CB -1.474 67.416 68.868 0.036 0.000 0.860 194 T HN 0.427 nan 8.240 nan 0.000 0.436 195 I N 0.049 120.637 120.570 0.029 0.000 2.908 195 I HA 0.037 4.207 4.170 -0.000 0.000 0.271 195 I C 2.429 178.552 176.117 0.009 0.000 1.275 195 I CA -0.317 60.995 61.300 0.019 0.000 1.446 195 I CB -1.714 36.290 38.000 0.006 0.000 1.092 195 I HN 0.323 nan 8.210 nan 0.000 0.482 196 c N 0.363 118.978 118.600 0.025 0.000 2.495 196 c HA 0.139 4.709 4.570 -0.000 0.000 0.275 196 c C 1.642 175.809 174.090 0.127 0.000 1.392 196 c CA 0.053 56.398 56.329 0.026 0.000 1.766 196 c CB -1.463 41.072 42.510 0.042 0.000 1.933 196 c HN 0.630 nan 8.230 nan 0.000 0.519 197 K N -0.434 120.047 120.400 0.136 0.000 2.035 197 K HA -0.245 4.074 4.320 -0.000 0.000 0.469 197 K C 0.906 177.638 176.600 0.220 0.000 1.683 197 K CA 0.938 57.337 56.287 0.188 0.000 0.931 197 K CB -1.040 31.598 32.500 0.230 0.000 1.373 197 K HN 0.466 nan 8.250 nan 0.000 0.781 198 S N 0.200 115.968 115.700 0.113 0.000 2.609 198 S HA -0.164 4.306 4.470 -0.000 0.000 0.250 198 S C 1.067 175.634 174.600 -0.056 0.000 0.974 198 S CA 1.634 59.831 58.200 -0.005 0.000 0.962 198 S CB -0.542 62.606 63.200 -0.087 0.000 0.756 198 S HN 0.521 nan 8.310 nan 0.000 0.539 199 H N 1.405 120.502 119.070 0.045 0.000 2.497 199 H HA 0.462 5.018 4.556 -0.000 0.000 0.282 199 H C 1.499 176.858 175.328 0.052 0.000 1.003 199 H CA 0.494 56.572 56.048 0.051 0.000 1.307 199 H CB -0.199 29.589 29.762 0.044 0.000 1.437 199 H HN 0.658 nan 8.280 nan 0.000 0.544 200 G N -0.903 107.997 108.800 0.165 0.000 2.612 200 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 200 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 200 G C -0.743 174.213 174.900 0.094 0.000 1.274 200 G CA -0.683 44.483 45.100 0.110 0.000 0.849 200 G HN 0.406 nan 8.290 nan 0.000 0.595 201 c N 0.693 119.338 118.600 0.074 0.000 2.358 201 c HA 0.797 5.367 4.570 -0.000 0.000 0.342 201 c C 1.450 175.573 174.090 0.056 0.000 1.234 201 c CA -0.014 56.350 56.329 0.059 0.000 1.969 201 c CB 0.641 43.182 42.510 0.051 0.000 2.346 201 c HN 1.053 nan 8.230 nan 0.000 0.525 202 T N 1.649 116.230 114.554 0.046 0.000 2.616 202 T HA 0.213 4.563 4.350 -0.000 0.000 0.327 202 T C 1.436 176.160 174.700 0.040 0.000 1.049 202 T CA 0.322 62.447 62.100 0.042 0.000 1.022 202 T CB 0.222 69.110 68.868 0.032 0.000 1.009 202 T HN 0.885 nan 8.240 nan 0.000 0.535 203 A N 0.947 123.788 122.820 0.036 0.000 1.851 203 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 203 A C 2.266 179.865 177.584 0.026 0.000 1.195 203 A CA 1.505 53.561 52.037 0.031 0.000 0.622 203 A CB -0.664 18.352 19.000 0.027 0.000 0.831 203 A HN 0.849 nan 8.150 nan 0.000 0.444 204 E N -1.338 118.875 120.200 0.022 0.000 2.005 204 E HA -0.001 4.349 4.350 -0.000 0.000 0.198 204 E C 1.539 178.151 176.600 0.020 0.000 1.010 204 E CA 1.573 57.984 56.400 0.018 0.000 0.825 204 E CB -0.724 28.986 29.700 0.016 0.000 0.769 204 E HN 0.913 nan 8.360 nan 0.000 0.456 205 G N -0.553 108.260 108.800 0.022 0.000 4.106 205 G HA2 0.024 3.984 3.960 -0.000 0.000 0.220 205 G HA3 0.024 3.984 3.960 -0.000 0.000 0.220 205 G C 0.210 175.122 174.900 0.021 0.000 0.853 205 G CA -0.102 45.012 45.100 0.024 0.000 0.920 205 G HN 0.030 nan 8.290 nan 0.000 0.715 206 L N 0.494 121.729 121.223 0.019 0.000 2.264 206 L HA 0.417 4.756 4.340 -0.000 0.000 0.187 206 L C 1.176 178.055 176.870 0.013 0.000 1.080 206 L CA 0.070 54.917 54.840 0.012 0.000 0.886 206 L CB -0.163 41.903 42.059 0.011 0.000 1.271 206 L HN 0.166 nan 8.230 nan 0.000 0.552 207 c N -0.486 118.115 118.600 0.001 0.000 2.329 207 c HA 0.436 5.006 4.570 -0.000 0.000 0.329 207 c C 0.385 174.483 174.090 0.014 0.000 1.275 207 c CA -1.276 55.049 56.329 -0.007 0.000 1.726 207 c CB 0.450 42.924 42.510 -0.060 0.000 2.291 207 c HN 0.695 nan 8.230 nan 0.000 0.514 208 c N 3.415 122.047 118.600 0.054 0.000 2.705 208 c HA 0.102 4.672 4.570 -0.000 0.000 0.382 208 c C 1.315 175.463 174.090 0.097 0.000 1.322 208 c CA -0.036 56.354 56.329 0.102 0.000 2.290 208 c CB -0.498 42.103 42.510 0.153 0.000 2.650 208 c HN 0.896 nan 8.230 nan 0.000 0.695 209 H N 0.949 120.052 119.070 0.056 0.000 2.994 209 H HA -0.074 4.482 4.556 -0.000 0.000 0.374 209 H C 1.243 176.604 175.328 0.056 0.000 1.305 209 H CA 1.356 57.430 56.048 0.044 0.000 1.431 209 H CB 0.644 30.439 29.762 0.054 0.000 1.399 209 H HN 0.716 nan 8.280 nan 0.000 0.609 210 S N 1.006 116.227 115.700 -0.799 0.000 2.537 210 S HA -0.075 4.395 4.470 -0.000 0.000 0.240 210 S C 0.206 174.960 174.600 0.257 0.000 0.981 210 S CA 0.974 58.962 58.200 -0.354 0.000 0.948 210 S CB -0.011 62.941 63.200 -0.414 0.000 0.759 210 S HN 0.497 nan 8.310 nan 0.000 0.531 211 E N -0.011 120.518 120.200 0.549 0.000 3.284 211 E HA 0.291 4.641 4.350 -0.000 0.000 0.277 211 E C -1.265 175.513 176.600 0.295 0.000 1.218 211 E CA -0.215 56.436 56.400 0.419 0.000 0.925 211 E CB 0.700 30.603 29.700 0.339 0.000 1.409 211 E HN 0.257 nan 8.360 nan 0.000 0.388 212 c N -0.051 118.695 118.600 0.244 0.000 3.335 212 c HA 0.473 5.042 4.570 -0.000 0.000 0.356 212 c C 0.857 174.965 174.090 0.030 0.000 1.570 212 c CA -0.748 55.659 56.329 0.130 0.000 1.271 212 c CB 1.143 43.751 42.510 0.162 0.000 1.873 212 c HN 0.500 nan 8.230 nan 0.000 0.439 213 L N 0.026 121.273 121.223 0.040 0.000 2.614 213 L HA 0.388 4.728 4.340 -0.000 0.000 0.185 213 L C 1.160 178.055 176.870 0.040 0.000 1.098 213 L CA 1.717 56.565 54.840 0.012 0.000 0.852 213 L CB -1.294 40.769 42.059 0.007 0.000 1.213 213 L HN 0.996 nan 8.230 nan 0.000 0.491 214 G N -1.015 107.815 108.800 0.050 0.000 3.247 214 G HA2 0.202 4.162 3.960 -0.000 0.000 0.199 214 G HA3 0.202 4.162 3.960 -0.000 0.000 0.199 214 G C -0.715 174.223 174.900 0.063 0.000 1.172 214 G CA -0.587 44.547 45.100 0.055 0.000 0.844 214 G HN 0.140 nan 8.290 nan 0.000 0.619 215 N N -0.862 117.873 118.700 0.058 0.000 1.946 215 N HA 0.053 4.793 4.740 -0.000 0.000 0.299 215 N C -0.234 175.313 175.510 0.061 0.000 1.227 215 N CA 1.558 54.643 53.050 0.059 0.000 0.812 215 N CB -0.046 38.473 38.487 0.053 0.000 1.038 215 N HN 0.866 nan 8.380 nan 0.000 0.485 216 c N 0.478 119.116 118.600 0.062 0.000 2.832 216 c HA 0.387 4.957 4.570 -0.000 0.000 0.383 216 c C 0.997 175.120 174.090 0.055 0.000 1.046 216 c CA -0.783 55.584 56.329 0.064 0.000 1.242 216 c CB 0.698 43.257 42.510 0.081 0.000 1.693 216 c HN 0.710 nan 8.230 nan 0.000 0.497 217 S N 1.667 117.396 115.700 0.047 0.000 2.693 217 S HA 0.065 4.535 4.470 -0.000 0.000 0.243 217 S C 0.250 174.872 174.600 0.036 0.000 0.973 217 S CA 0.845 59.068 58.200 0.039 0.000 0.969 217 S CB -0.613 62.608 63.200 0.034 0.000 0.771 217 S HN 0.959 nan 8.310 nan 0.000 0.542 218 Q N -0.972 118.854 119.800 0.043 0.000 3.107 218 Q HA 0.305 4.645 4.340 -0.000 0.000 0.319 218 Q C -3.310 172.722 176.000 0.053 0.000 0.868 218 Q CA -1.281 54.546 55.803 0.041 0.000 0.825 218 Q CB 1.055 29.813 28.738 0.033 0.000 1.553 218 Q HN 0.113 nan 8.270 nan 0.000 0.489 219 P HA 0.273 nan 4.420 nan 0.000 0.289 219 P C -1.462 175.879 177.300 0.067 0.000 1.302 219 P CA -0.311 62.822 63.100 0.056 0.000 0.923 219 P CB 0.693 32.415 31.700 0.036 0.000 1.238 220 D N 0.828 121.275 120.400 0.078 0.000 2.971 220 D HA -0.194 4.446 4.640 -0.000 0.000 0.212 220 D C -0.562 175.835 176.300 0.160 0.000 1.243 220 D CA 1.697 55.760 54.000 0.105 0.000 0.781 220 D CB -0.946 39.876 40.800 0.037 0.000 0.894 220 D HN 0.494 nan 8.370 nan 0.000 0.392 221 D N 0.088 120.627 120.400 0.232 0.000 2.087 221 D HA 0.089 4.729 4.640 -0.000 0.000 0.161 221 D C -2.562 173.708 176.300 -0.051 0.000 1.196 221 D CA -0.954 53.099 54.000 0.087 0.000 0.916 221 D CB 1.083 41.908 40.800 0.041 0.000 2.216 221 D HN -0.102 nan 8.370 nan 0.000 0.512 222 P HA 0.081 nan 4.420 nan 0.000 0.236 222 P C 1.179 178.355 177.300 -0.207 0.000 1.177 222 P CA 0.498 63.331 63.100 -0.446 0.000 0.773 222 P CB 0.425 31.644 31.700 -0.802 0.000 0.878 223 T N -0.829 113.637 114.554 -0.147 0.000 2.777 223 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 223 T C 0.738 175.405 174.700 -0.054 0.000 1.040 223 T CA 1.329 63.368 62.100 -0.103 0.000 1.141 223 T CB -0.325 68.496 68.868 -0.077 0.000 0.868 223 T HN 0.086 nan 8.240 nan 0.000 0.444 224 K N 0.426 120.809 120.400 -0.029 0.000 2.211 224 K HA 0.610 4.930 4.320 -0.000 0.000 0.275 224 K C -0.965 175.645 176.600 0.018 0.000 1.024 224 K CA -0.237 56.052 56.287 0.003 0.000 0.887 224 K CB 1.425 33.932 32.500 0.013 0.000 1.084 224 K HN 0.218 nan 8.250 nan 0.000 0.463 225 c N 2.128 120.749 118.600 0.036 0.000 2.926 225 c HA 0.191 4.761 4.570 -0.000 0.000 0.430 225 c C -1.846 172.286 174.090 0.070 0.000 0.944 225 c CA -1.055 55.306 56.329 0.054 0.000 1.084 225 c CB -0.585 41.947 42.510 0.037 0.000 1.576 225 c HN 0.694 nan 8.230 nan 0.000 0.631 226 V N 3.819 123.776 119.914 0.072 0.000 2.487 226 V HA 1.068 5.188 4.120 -0.000 0.000 0.298 226 V C 0.331 176.467 176.094 0.070 0.000 1.028 226 V CA 0.831 63.176 62.300 0.076 0.000 0.860 226 V CB 0.815 32.669 31.823 0.053 0.000 0.991 226 V HN 2.799 nan 8.190 nan 0.000 0.427 227 A N 2.479 125.351 122.820 0.086 0.000 3.563 227 A HA 0.391 4.710 4.320 -0.000 0.000 0.059 227 A C 0.083 177.737 177.584 0.117 0.000 1.300 227 A CA 0.203 52.284 52.037 0.073 0.000 1.195 227 A CB -1.183 17.854 19.000 0.061 0.000 0.853 227 A HN 2.412 nan 8.150 nan 0.000 0.406 228 c N 0.072 118.732 118.600 0.100 0.000 3.700 228 c HA 0.023 4.593 4.570 -0.000 0.000 0.347 228 c C 1.448 175.574 174.090 0.059 0.000 0.888 228 c CA 0.061 56.457 56.329 0.111 0.000 3.221 228 c CB -2.246 40.379 42.510 0.192 0.000 1.294 228 c HN 0.932 nan 8.230 nan 0.000 0.568 229 R N 1.285 121.802 120.500 0.030 0.000 2.136 229 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 229 R C 1.666 177.937 176.300 -0.049 0.000 1.131 229 R CA 2.493 58.581 56.100 -0.019 0.000 0.937 229 R CB -0.023 30.269 30.300 -0.013 0.000 0.863 229 R HN 0.784 nan 8.270 nan 0.000 0.435 230 N N -1.197 117.490 118.700 -0.022 0.000 2.269 230 N HA 0.153 4.893 4.740 -0.000 0.000 0.236 230 N C 0.109 175.417 175.510 -0.337 0.000 1.101 230 N CA 0.635 53.589 53.050 -0.159 0.000 1.155 230 N CB 0.005 38.581 38.487 0.150 0.000 1.526 230 N HN -0.110 nan 8.380 nan 0.000 0.582 231 F N -1.019 118.995 119.950 0.107 0.000 2.654 231 F HA 0.401 4.928 4.527 -0.000 0.000 0.334 231 F C -0.608 175.213 175.800 0.035 0.000 1.078 231 F CA -1.078 56.970 58.000 0.080 0.000 0.986 231 F CB 1.044 40.047 39.000 0.005 0.000 1.362 231 F HN 0.062 nan 8.300 nan 0.000 0.498 232 Y N 2.064 122.363 120.300 -0.002 0.000 2.328 232 Y HA 0.741 5.291 4.550 -0.000 0.000 0.336 232 Y C -1.792 173.955 175.900 -0.256 0.000 0.960 232 Y CA -0.881 57.132 58.100 -0.146 0.000 1.134 232 Y CB 1.238 39.560 38.460 -0.229 0.000 1.166 232 Y HN 0.625 nan 8.280 nan 0.000 0.464 233 L N 6.019 126.890 121.223 -0.586 0.000 2.431 233 L HA 0.365 4.704 4.340 -0.000 0.000 0.266 233 L C -0.527 175.939 176.870 -0.673 0.000 0.978 233 L CA -0.742 53.765 54.840 -0.554 0.000 0.822 233 L CB 1.657 43.428 42.059 -0.481 0.000 1.310 233 L HN 0.803 nan 8.230 nan 0.000 0.409 234 D N 4.229 124.341 120.400 -0.481 0.000 2.805 234 D HA -0.229 4.411 4.640 -0.000 0.000 0.221 234 D C 1.018 177.086 176.300 -0.386 0.000 1.197 234 D CA 1.565 55.362 54.000 -0.339 0.000 0.606 234 D CB -0.720 39.933 40.800 -0.246 0.000 1.024 234 D HN 1.061 nan 8.370 nan 0.000 0.408 235 G N -0.147 108.250 108.800 -0.672 0.000 2.149 235 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.235 235 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.235 235 G C 0.209 174.895 174.900 -0.358 0.000 1.018 235 G CA 0.428 45.270 45.100 -0.429 0.000 0.728 235 G HN 0.708 nan 8.290 nan 0.000 0.508 236 R N -1.218 119.006 120.500 -0.460 0.000 2.836 236 R HA 0.683 5.023 4.340 -0.000 0.000 0.269 236 R C -0.212 175.907 176.300 -0.302 0.000 1.010 236 R CA -0.390 55.524 56.100 -0.310 0.000 0.930 236 R CB 1.090 31.238 30.300 -0.252 0.000 1.218 236 R HN 0.213 nan 8.270 nan 0.000 0.473 237 c N 1.837 120.313 118.600 -0.206 0.000 2.398 237 c HA 0.676 5.246 4.570 -0.000 0.000 0.364 237 c C -0.330 173.722 174.090 -0.064 0.000 1.219 237 c CA -0.412 55.856 56.329 -0.101 0.000 2.312 237 c CB 0.941 43.433 42.510 -0.030 0.000 2.428 237 c HN 0.449 nan 8.230 nan 0.000 0.564 238 V N 1.984 121.910 119.914 0.020 0.000 2.789 238 V HA 0.282 4.402 4.120 -0.000 0.000 0.311 238 V C 0.622 176.805 176.094 0.148 0.000 1.073 238 V CA -0.360 61.964 62.300 0.041 0.000 0.921 238 V CB 1.705 33.519 31.823 -0.016 0.000 1.009 238 V HN 1.014 nan 8.190 nan 0.000 0.426 239 E N 2.223 122.500 120.200 0.128 0.000 2.158 239 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 239 E C 0.580 177.319 176.600 0.231 0.000 0.982 239 E CA 1.271 57.776 56.400 0.175 0.000 0.823 239 E CB 0.422 30.198 29.700 0.127 0.000 0.766 239 E HN 0.720 nan 8.360 nan 0.000 0.468 240 T N -0.663 113.969 114.554 0.130 0.000 3.159 240 T HA 0.226 4.576 4.350 -0.000 0.000 0.343 240 T C -1.185 173.401 174.700 -0.190 0.000 1.364 240 T CA -0.844 61.287 62.100 0.053 0.000 1.102 240 T CB 0.643 69.585 68.868 0.123 0.000 1.263 240 T HN 0.139 nan 8.240 nan 0.000 0.477 241 c N 6.859 125.078 118.600 -0.635 0.000 2.634 241 c HA 0.458 5.028 4.570 -0.000 0.000 0.418 241 c C -1.880 172.020 174.090 -0.316 0.000 1.373 241 c CA -0.364 55.596 56.329 -0.615 0.000 1.756 241 c CB -0.455 41.438 42.510 -1.027 0.000 2.589 241 c HN 0.629 nan 8.230 nan 0.000 0.602 242 P HA 0.429 nan 4.420 nan 0.000 0.295 242 P C -2.858 174.413 177.300 -0.049 0.000 1.319 242 P CA -2.323 60.737 63.100 -0.066 0.000 0.940 242 P CB 0.669 32.347 31.700 -0.036 0.000 1.192 243 P HA 0.078 nan 4.420 nan 0.000 0.264 243 P C -1.868 175.363 177.300 -0.114 0.000 1.183 243 P CA -0.636 62.384 63.100 -0.133 0.000 0.763 243 P CB -0.829 30.823 31.700 -0.080 0.000 0.807 244 P HA 0.234 nan 4.420 nan 0.000 0.228 244 P C -1.087 175.739 177.300 -0.790 0.000 1.873 244 P CA -0.260 62.574 63.100 -0.443 0.000 1.033 244 P CB 0.048 31.509 31.700 -0.398 0.000 1.707 245 Y N 0.045 120.025 120.300 -0.533 0.000 2.519 245 Y HA 0.466 5.016 4.550 -0.000 0.000 0.324 245 Y C 0.320 175.769 175.900 -0.751 0.000 1.214 245 Y CA -0.546 57.212 58.100 -0.571 0.000 1.260 245 Y CB 1.349 39.612 38.460 -0.329 0.000 1.311 245 Y HN -0.062 nan 8.280 nan 0.000 0.505 246 Y N -0.596 119.782 120.300 0.129 0.000 2.361 246 Y HA 0.290 4.840 4.550 -0.000 0.000 0.337 246 Y C -0.757 175.179 175.900 0.059 0.000 0.965 246 Y CA -1.301 56.857 58.100 0.097 0.000 1.091 246 Y CB 0.828 39.375 38.460 0.145 0.000 1.182 246 Y HN 0.538 nan 8.280 nan 0.000 0.450 247 H N 3.560 122.688 119.070 0.097 0.000 3.342 247 H HA -0.032 4.524 4.556 -0.000 0.000 0.237 247 H C -0.897 174.565 175.328 0.223 0.000 1.044 247 H CA 0.307 56.361 56.048 0.009 0.000 1.436 247 H CB -0.509 29.175 29.762 -0.130 0.000 1.569 247 H HN 0.514 nan 8.280 nan 0.000 0.507 248 F N 3.830 123.894 119.950 0.189 0.000 2.334 248 F HA 0.205 4.732 4.527 -0.000 0.000 0.367 248 F C -0.034 175.902 175.800 0.226 0.000 1.115 248 F CA -0.783 57.317 58.000 0.167 0.000 1.116 248 F CB 0.616 39.705 39.000 0.149 0.000 1.230 248 F HN 0.410 nan 8.300 nan 0.000 0.484 249 Q N 4.282 124.114 119.800 0.054 0.000 2.493 249 Q HA -0.268 4.072 4.340 -0.000 0.000 0.278 249 Q C 0.231 176.499 176.000 0.447 0.000 1.198 249 Q CA 1.181 57.099 55.803 0.191 0.000 0.880 249 Q CB -1.780 27.164 28.738 0.343 0.000 1.260 249 Q HN 1.072 nan 8.270 nan 0.000 0.470 250 D N -1.675 118.990 120.400 0.442 0.000 2.931 250 D HA -0.208 4.432 4.640 -0.000 0.000 0.228 250 D C 0.615 177.141 176.300 0.376 0.000 1.180 250 D CA 1.919 56.199 54.000 0.466 0.000 0.784 250 D CB -0.690 40.254 40.800 0.241 0.000 1.093 250 D HN 0.795 nan 8.370 nan 0.000 0.421 251 W N -1.028 120.447 121.300 0.292 0.000 1.904 251 W HA 0.274 4.934 4.660 -0.000 0.000 0.179 251 W C -0.014 176.722 176.519 0.361 0.000 0.832 251 W CA -0.236 57.197 57.345 0.147 0.000 0.958 251 W CB 0.086 29.572 29.460 0.043 0.000 0.765 251 W HN 0.019 nan 8.180 nan 0.000 0.616 252 R N 1.508 121.679 120.500 -0.549 0.000 2.750 252 R HA 0.593 4.933 4.340 -0.000 0.000 0.281 252 R C -1.118 175.052 176.300 -0.217 0.000 0.972 252 R CA -0.008 55.615 56.100 -0.795 0.000 0.912 252 R CB 2.051 31.467 30.300 -1.474 0.000 1.187 252 R HN -0.028 nan 8.270 nan 0.000 0.464 253 c N 2.116 120.584 118.600 -0.221 0.000 2.407 253 c HA 0.811 5.381 4.570 -0.000 0.000 0.366 253 c C -0.530 173.522 174.090 -0.064 0.000 1.213 253 c CA -0.646 55.606 56.329 -0.129 0.000 2.011 253 c CB 1.224 43.584 42.510 -0.250 0.000 2.306 253 c HN 0.606 nan 8.230 nan 0.000 0.527 254 V N 0.298 120.314 119.914 0.168 0.000 2.697 254 V HA 0.440 4.560 4.120 -0.000 0.000 0.300 254 V C -0.577 175.722 176.094 0.342 0.000 1.115 254 V CA -0.696 61.750 62.300 0.244 0.000 0.912 254 V CB 1.437 33.537 31.823 0.461 0.000 1.024 254 V HN 0.910 nan 8.190 nan 0.000 0.431 255 N N 4.204 123.054 118.700 0.251 0.000 2.670 255 N HA -0.030 4.710 4.740 -0.000 0.000 0.296 255 N C 0.744 176.436 175.510 0.304 0.000 1.216 255 N CA 0.134 53.294 53.050 0.185 0.000 1.123 255 N CB -0.162 38.390 38.487 0.108 0.000 1.459 255 N HN 1.090 nan 8.380 nan 0.000 0.509 256 F N 2.438 122.518 119.950 0.217 0.000 2.057 256 F HA -0.497 4.030 4.527 -0.000 0.000 0.253 256 F C 2.109 177.981 175.800 0.119 0.000 1.073 256 F CA 2.730 60.878 58.000 0.248 0.000 1.543 256 F CB -1.240 37.910 39.000 0.250 0.000 0.857 256 F HN 0.447 nan 8.300 nan 0.000 0.456 257 S N -0.567 115.372 115.700 0.398 0.000 2.462 257 S HA -0.238 4.232 4.470 -0.000 0.000 0.243 257 S C 1.568 176.209 174.600 0.069 0.000 1.003 257 S CA 1.305 59.627 58.200 0.203 0.000 0.970 257 S CB -0.922 62.423 63.200 0.242 0.000 0.762 257 S HN 0.547 nan 8.310 nan 0.000 0.510 258 F N 1.342 121.267 119.950 -0.043 0.000 2.147 258 F HA 0.152 4.678 4.527 -0.000 0.000 0.291 258 F C 1.855 177.574 175.800 -0.135 0.000 1.093 258 F CA 0.822 58.776 58.000 -0.077 0.000 1.263 258 F CB -1.034 37.922 39.000 -0.073 0.000 1.036 258 F HN 0.248 nan 8.300 nan 0.000 0.481 259 c N 3.377 121.685 118.600 -0.488 0.000 2.980 259 c HA 0.180 4.750 4.570 -0.000 0.000 0.486 259 c C 1.214 174.955 174.090 -0.582 0.000 1.258 259 c CA 1.074 57.031 56.329 -0.622 0.000 1.481 259 c CB -2.831 39.505 42.510 -0.290 0.000 1.742 259 c HN 0.855 nan 8.230 nan 0.000 0.617 260 Q N -1.949 117.533 119.800 -0.531 0.000 1.773 260 Q HA 0.018 4.357 4.340 -0.000 0.000 0.185 260 Q C 0.825 176.524 176.000 -0.501 0.000 0.660 260 Q CA -0.125 55.377 55.803 -0.502 0.000 0.761 260 Q CB -0.511 27.837 28.738 -0.651 0.000 1.213 260 Q HN 0.298 nan 8.270 nan 0.000 0.399 261 D N 0.958 121.155 120.400 -0.339 0.000 2.263 261 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 261 D C 1.497 177.714 176.300 -0.137 0.000 0.971 261 D CA 0.843 54.743 54.000 -0.166 0.000 0.867 261 D CB 0.352 41.130 40.800 -0.036 0.000 0.929 261 D HN 0.230 nan 8.370 nan 0.000 0.492 262 L N -0.005 121.089 121.223 -0.214 0.000 1.993 262 L HA -0.075 4.264 4.340 -0.000 0.000 0.206 262 L C 1.854 178.752 176.870 0.046 0.000 1.074 262 L CA 1.255 56.072 54.840 -0.038 0.000 0.746 262 L CB -1.244 40.804 42.059 -0.019 0.000 0.896 262 L HN 0.228 nan 8.230 nan 0.000 0.435 263 H N 0.355 119.364 119.070 -0.102 0.000 4.635 263 H HA -0.028 4.528 4.556 -0.000 0.000 0.197 263 H C -0.544 174.707 175.328 -0.129 0.000 1.041 263 H CA 0.212 56.190 56.048 -0.116 0.000 1.280 263 H CB -0.855 28.818 29.762 -0.149 0.000 1.415 263 H HN 0.405 nan 8.280 nan 0.000 0.875 264 H N 1.559 120.559 119.070 -0.116 0.000 2.800 264 H HA 0.144 4.700 4.556 -0.000 0.000 0.322 264 H C -0.420 174.824 175.328 -0.140 0.000 0.979 264 H CA -1.133 54.829 56.048 -0.144 0.000 1.277 264 H CB 0.941 30.657 29.762 -0.078 0.000 1.484 264 H HN 0.299 nan 8.280 nan 0.000 0.512 265 K N 1.158 121.528 120.400 -0.050 0.000 6.677 265 K HA -0.212 4.108 4.320 -0.000 0.000 0.638 265 K C -0.688 175.848 176.600 -0.107 0.000 2.505 265 K CA 0.475 56.701 56.287 -0.101 0.000 1.869 265 K CB -0.373 32.074 32.500 -0.089 0.000 1.896 265 K HN 0.640 nan 8.250 nan 0.000 0.278 266 c N 3.825 122.345 118.600 -0.133 0.000 2.557 266 c HA 0.142 4.712 4.570 -0.000 0.000 0.281 266 c C 1.453 175.471 174.090 -0.120 0.000 1.490 266 c CA -0.725 55.526 56.329 -0.130 0.000 1.771 266 c CB -1.071 41.350 42.510 -0.148 0.000 2.887 266 c HN 0.909 nan 8.230 nan 0.000 0.527 267 K N 2.455 122.786 120.400 -0.115 0.000 2.413 267 K HA -0.306 4.014 4.320 -0.000 0.000 0.205 267 K C 0.603 177.128 176.600 -0.125 0.000 0.830 267 K CA 2.510 58.729 56.287 -0.114 0.000 0.991 267 K CB -0.708 31.746 32.500 -0.078 0.000 1.171 267 K HN 0.862 nan 8.250 nan 0.000 0.553 268 N N 1.901 120.549 118.700 -0.087 0.000 2.454 268 N HA 0.042 4.782 4.740 -0.000 0.000 0.285 268 N C -0.592 174.876 175.510 -0.070 0.000 1.233 268 N CA -0.237 52.771 53.050 -0.069 0.000 1.036 268 N CB 0.434 38.900 38.487 -0.035 0.000 1.423 268 N HN 0.189 nan 8.380 nan 0.000 0.495 269 S N 2.506 118.146 115.700 -0.101 0.000 2.537 269 S HA 0.240 4.710 4.470 -0.000 0.000 0.275 269 S C 1.010 175.604 174.600 -0.010 0.000 1.272 269 S CA -0.625 57.531 58.200 -0.073 0.000 1.050 269 S CB 1.479 64.600 63.200 -0.132 0.000 0.961 269 S HN 0.880 nan 8.310 nan 0.000 0.496 270 R N 0.827 121.328 120.500 0.002 0.000 4.074 270 R HA -0.237 4.103 4.340 -0.000 0.000 0.379 270 R C 1.259 177.565 176.300 0.010 0.000 0.711 270 R CA 1.692 57.797 56.100 0.008 0.000 1.712 270 R CB -1.286 29.024 30.300 0.017 0.000 2.173 270 R HN 0.727 nan 8.270 nan 0.000 0.449 271 R N 2.030 122.536 120.500 0.011 0.000 2.362 271 R HA 0.017 4.357 4.340 -0.000 0.000 0.204 271 R C 0.495 176.813 176.300 0.031 0.000 1.088 271 R CA 1.744 57.852 56.100 0.014 0.000 1.121 271 R CB -0.462 29.841 30.300 0.006 0.000 0.954 271 R HN 0.499 nan 8.270 nan 0.000 0.478 272 Q N -2.982 116.858 119.800 0.067 0.000 2.264 272 Q HA -0.232 4.107 4.340 -0.000 0.000 0.207 272 Q C 0.955 177.027 176.000 0.119 0.000 0.702 272 Q CA 1.141 57.049 55.803 0.175 0.000 1.411 272 Q CB -1.716 27.086 28.738 0.107 0.000 1.717 272 Q HN 0.653 nan 8.270 nan 0.000 0.683 273 G N -0.243 108.567 108.800 0.017 0.000 2.598 273 G HA2 0.055 4.015 3.960 -0.000 0.000 0.215 273 G HA3 0.055 4.015 3.960 -0.000 0.000 0.215 273 G C 0.361 175.192 174.900 -0.115 0.000 1.131 273 G CA 0.853 45.931 45.100 -0.038 0.000 0.785 273 G HN 0.523 nan 8.290 nan 0.000 0.539 274 c N -0.877 117.613 118.600 -0.183 0.000 3.274 274 c HA 0.420 4.990 4.570 -0.000 0.000 0.415 274 c C -0.504 173.380 174.090 -0.343 0.000 1.009 274 c CA -1.184 54.926 56.329 -0.365 0.000 1.163 274 c CB -0.140 42.244 42.510 -0.210 0.000 1.549 274 c HN 0.527 nan 8.230 nan 0.000 0.599 275 H N 2.325 121.205 119.070 -0.317 0.000 2.524 275 H HA 0.485 5.041 4.556 -0.000 0.000 0.297 275 H C 0.174 175.266 175.328 -0.392 0.000 1.115 275 H CA -0.216 55.621 56.048 -0.352 0.000 1.027 275 H CB -0.212 29.324 29.762 -0.377 0.000 1.591 275 H HN 0.754 nan 8.280 nan 0.000 0.543 276 Q N 0.484 120.142 119.800 -0.236 0.000 2.374 276 Q HA -0.250 4.090 4.340 -0.000 0.000 0.336 276 Q C -1.029 175.067 176.000 0.160 0.000 1.257 276 Q CA 0.406 56.218 55.803 0.015 0.000 1.007 276 Q CB -1.415 27.344 28.738 0.035 0.000 1.106 276 Q HN 0.583 nan 8.270 nan 0.000 0.297 277 Y N 0.233 120.643 120.300 0.184 0.000 2.299 277 Y HA 0.484 5.034 4.550 -0.000 0.000 0.335 277 Y C 1.111 176.842 175.900 -0.281 0.000 1.287 277 Y CA -0.008 58.069 58.100 -0.039 0.000 1.424 277 Y CB 0.960 39.362 38.460 -0.097 0.000 1.326 277 Y HN 0.405 nan 8.280 nan 0.000 0.567 278 V N 0.051 119.941 119.914 -0.039 0.000 3.147 278 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 278 V C -1.232 174.784 176.094 -0.129 0.000 1.209 278 V CA -1.213 60.963 62.300 -0.206 0.000 1.023 278 V CB 1.902 33.620 31.823 -0.175 0.000 1.059 278 V HN 0.466 nan 8.190 nan 0.000 0.435 279 I N 3.164 123.630 120.570 -0.174 0.000 2.428 279 I HA 0.832 5.002 4.170 -0.000 0.000 0.296 279 I C -0.232 175.866 176.117 -0.031 0.000 0.985 279 I CA 0.277 61.467 61.300 -0.183 0.000 1.260 279 I CB 1.204 38.993 38.000 -0.350 0.000 1.389 279 I HN 1.107 nan 8.210 nan 0.000 0.484 280 H N 5.122 124.119 119.070 -0.123 0.000 3.140 280 H HA 0.223 4.779 4.556 -0.000 0.000 0.336 280 H C -0.058 175.244 175.328 -0.044 0.000 1.142 280 H CA -0.665 55.325 56.048 -0.096 0.000 1.308 280 H CB 0.845 30.550 29.762 -0.096 0.000 1.970 280 H HN 0.618 nan 8.280 nan 0.000 0.521 281 N N 3.700 121.965 118.700 -0.725 0.000 2.686 281 N HA -0.303 4.437 4.740 -0.000 0.000 0.261 281 N C -0.533 174.893 175.510 -0.139 0.000 1.001 281 N CA 1.717 54.495 53.050 -0.454 0.000 0.764 281 N CB -1.121 37.064 38.487 -0.504 0.000 0.898 281 N HN 1.015 nan 8.380 nan 0.000 0.544 282 N N -2.406 116.293 118.700 -0.001 0.000 2.853 282 N HA -0.280 4.459 4.740 -0.000 0.000 0.239 282 N C -0.653 175.051 175.510 0.322 0.000 0.967 282 N CA 1.820 55.006 53.050 0.226 0.000 0.973 282 N CB -0.602 37.990 38.487 0.174 0.000 1.104 282 N HN 0.611 nan 8.380 nan 0.000 0.602 283 K N 0.568 121.051 120.400 0.138 0.000 2.143 283 K HA 0.510 4.830 4.320 -0.000 0.000 0.272 283 K C -0.400 176.262 176.600 0.103 0.000 1.001 283 K CA -0.586 55.796 56.287 0.159 0.000 0.915 283 K CB 1.774 34.328 32.500 0.091 0.000 1.047 283 K HN 0.256 nan 8.250 nan 0.000 0.458 284 c N 5.347 124.010 118.600 0.104 0.000 2.239 284 c HA 0.569 5.139 4.570 -0.000 0.000 0.325 284 c C -0.247 173.807 174.090 -0.060 0.000 1.231 284 c CA -0.600 55.718 56.329 -0.018 0.000 1.652 284 c CB -1.483 41.040 42.510 0.022 0.000 2.284 284 c HN 0.723 nan 8.230 nan 0.000 0.499 285 I N 7.588 128.163 120.570 0.009 0.000 2.750 285 I HA 0.393 4.563 4.170 -0.000 0.000 0.308 285 I C -1.389 174.918 176.117 0.318 0.000 1.016 285 I CA -2.416 58.936 61.300 0.087 0.000 1.098 285 I CB 2.383 40.427 38.000 0.073 0.000 1.279 285 I HN 0.374 nan 8.210 nan 0.000 0.454 286 P HA -0.158 nan 4.420 nan 0.000 0.212 286 P C -0.780 176.525 177.300 0.008 0.000 1.174 286 P CA 1.651 64.858 63.100 0.177 0.000 0.934 286 P CB 0.214 31.947 31.700 0.055 0.000 0.791 287 E N -4.011 116.190 120.200 0.001 0.000 2.392 287 E HA 0.293 4.643 4.350 -0.000 0.000 0.279 287 E C -0.781 175.801 176.600 -0.030 0.000 0.964 287 E CA -0.787 55.599 56.400 -0.023 0.000 0.777 287 E CB 1.012 30.688 29.700 -0.039 0.000 1.249 287 E HN -0.079 nan 8.360 nan 0.000 0.449 288 c N 2.044 120.621 118.600 -0.038 0.000 2.837 288 c HA 0.136 4.706 4.570 -0.000 0.000 0.381 288 c C -1.847 172.207 174.090 -0.060 0.000 1.298 288 c CA -0.389 55.902 56.329 -0.063 0.000 2.083 288 c CB -1.069 41.425 42.510 -0.026 0.000 2.664 288 c HN 0.541 nan 8.230 nan 0.000 0.736 289 P HA 0.254 nan 4.420 nan 0.000 0.290 289 P C -0.890 176.374 177.300 -0.060 0.000 1.275 289 P CA -0.238 62.828 63.100 -0.057 0.000 0.841 289 P CB 0.646 32.310 31.700 -0.060 0.000 1.042 290 S N 1.481 117.132 115.700 -0.083 0.000 2.629 290 S HA 0.294 4.764 4.470 -0.000 0.000 0.302 290 S C 1.241 175.734 174.600 -0.178 0.000 1.244 290 S CA 0.773 58.914 58.200 -0.098 0.000 1.098 290 S CB -1.350 61.803 63.200 -0.079 0.000 0.858 290 S HN 0.966 nan 8.310 nan 0.000 0.502 291 G N 2.705 111.410 108.800 -0.159 0.000 2.391 291 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.204 291 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.204 291 G C -0.168 174.609 174.900 -0.206 0.000 1.012 291 G CA -0.106 44.855 45.100 -0.231 0.000 0.651 291 G HN 0.690 nan 8.290 nan 0.000 0.494 292 Y N 0.934 121.203 120.300 -0.051 0.000 2.408 292 Y HA 0.784 5.333 4.550 -0.000 0.000 0.324 292 Y C 0.938 176.811 175.900 -0.044 0.000 1.302 292 Y CA 0.117 58.187 58.100 -0.050 0.000 1.384 292 Y CB 1.558 39.962 38.460 -0.092 0.000 1.367 292 Y HN 0.309 nan 8.280 nan 0.000 0.525 293 T N 0.465 115.118 114.554 0.166 0.000 2.749 293 T HA 0.330 4.680 4.350 -0.000 0.000 0.310 293 T C -1.591 173.138 174.700 0.048 0.000 1.496 293 T CA -0.942 61.203 62.100 0.076 0.000 1.006 293 T CB 0.832 69.737 68.868 0.061 0.000 1.457 293 T HN 0.470 nan 8.240 nan 0.000 0.497 294 M N 3.715 123.333 119.600 0.031 0.000 2.108 294 M HA 0.387 4.866 4.480 -0.000 0.000 0.354 294 M C 0.004 176.320 176.300 0.027 0.000 1.229 294 M CA -0.399 54.908 55.300 0.013 0.000 1.081 294 M CB 0.296 32.903 32.600 0.013 0.000 1.606 294 M HN 0.701 nan 8.290 nan 0.000 0.467 295 N N 1.802 120.512 118.700 0.017 0.000 3.331 295 N HA 0.074 4.814 4.740 -0.000 0.000 0.303 295 N C 0.751 176.285 175.510 0.041 0.000 1.326 295 N CA 0.114 53.181 53.050 0.028 0.000 1.207 295 N CB 0.104 38.603 38.487 0.020 0.000 1.477 295 N HN 0.611 nan 8.380 nan 0.000 0.541 296 S N -1.306 114.431 115.700 0.063 0.000 2.681 296 S HA -0.357 4.113 4.470 -0.000 0.000 0.335 296 S C 1.812 176.477 174.600 0.109 0.000 1.346 296 S CA 1.946 60.209 58.200 0.105 0.000 1.104 296 S CB -0.691 62.574 63.200 0.108 0.000 0.931 296 S HN 0.476 nan 8.310 nan 0.000 0.469 297 S N 3.074 118.823 115.700 0.083 0.000 2.355 297 S HA -0.038 4.432 4.470 -0.000 0.000 0.210 297 S C 0.950 175.625 174.600 0.126 0.000 1.035 297 S CA 0.975 59.231 58.200 0.092 0.000 1.011 297 S CB -0.407 62.828 63.200 0.058 0.000 1.000 297 S HN 0.873 nan 8.310 nan 0.000 0.423 298 N N 3.069 121.824 118.700 0.092 0.000 2.968 298 N HA 0.127 4.867 4.740 -0.000 0.000 0.271 298 N C -0.609 174.967 175.510 0.110 0.000 1.174 298 N CA -0.106 53.014 53.050 0.117 0.000 1.096 298 N CB -0.058 38.451 38.487 0.037 0.000 1.403 298 N HN 0.349 nan 8.380 nan 0.000 0.522 299 L N 1.207 122.503 121.223 0.121 0.000 7.243 299 L HA -0.160 4.179 4.340 -0.000 0.000 0.270 299 L C -0.020 176.786 176.870 -0.107 0.000 1.749 299 L CA 0.272 55.063 54.840 -0.083 0.000 0.645 299 L CB -1.504 40.393 42.059 -0.269 0.000 1.408 299 L HN 0.463 nan 8.230 nan 0.000 0.296 300 L N -2.086 119.106 121.223 -0.051 0.000 2.211 300 L HA 0.749 5.089 4.340 -0.000 0.000 0.259 300 L C -0.149 176.693 176.870 -0.047 0.000 1.031 300 L CA -1.484 53.324 54.840 -0.053 0.000 0.877 300 L CB 0.637 42.672 42.059 -0.039 0.000 1.457 300 L HN -0.083 nan 8.230 nan 0.000 0.466 301 c N 0.226 118.796 118.600 -0.050 0.000 2.376 301 c HA 0.875 5.445 4.570 -0.000 0.000 0.335 301 c C 0.577 174.593 174.090 -0.123 0.000 1.229 301 c CA 0.057 56.339 56.329 -0.079 0.000 1.867 301 c CB 0.991 43.414 42.510 -0.144 0.000 2.319 301 c HN 1.029 nan 8.230 nan 0.000 0.515 302 T N -0.283 114.260 114.554 -0.018 0.000 2.930 302 T HA 0.511 4.861 4.350 -0.000 0.000 0.290 302 T C -1.912 172.929 174.700 0.235 0.000 1.052 302 T CA -1.463 60.660 62.100 0.039 0.000 1.017 302 T CB 1.711 70.606 68.868 0.044 0.000 1.137 302 T HN 0.374 nan 8.240 nan 0.000 0.511 303 P HA -0.094 nan 4.420 nan 0.000 0.213 303 P C 0.948 178.374 177.300 0.209 0.000 1.170 303 P CA 1.469 64.756 63.100 0.312 0.000 0.902 303 P CB -0.780 31.018 31.700 0.164 0.000 0.789 304 c N -1.040 117.634 118.600 0.123 0.000 1.817 304 c HA -0.098 4.472 4.570 -0.000 0.000 0.240 304 c C -0.456 173.654 174.090 0.033 0.000 0.792 304 c CA -0.982 55.389 56.329 0.070 0.000 3.140 304 c CB -2.594 39.961 42.510 0.075 0.000 1.787 304 c HN 0.314 nan 8.230 nan 0.000 0.278 305 L N 7.021 128.260 121.223 0.027 0.000 2.330 305 L HA 0.978 5.318 4.340 -0.000 0.000 0.271 305 L C 0.882 177.758 176.870 0.011 0.000 1.013 305 L CA 1.802 56.650 54.840 0.012 0.000 0.816 305 L CB 1.467 43.535 42.059 0.015 0.000 1.287 305 L HN 2.655 nan 8.230 nan 0.000 0.435 306 G N 2.885 111.688 108.800 0.006 0.000 2.854 306 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 306 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 306 G C -2.670 172.233 174.900 0.006 0.000 1.202 306 G CA -0.753 44.352 45.100 0.007 0.000 0.878 306 G HN 0.624 nan 8.290 nan 0.000 0.583 307 P HA 0.227 nan 4.420 nan 0.000 0.266 307 P C 0.491 177.796 177.300 0.007 0.000 1.186 307 P CA -0.202 62.900 63.100 0.005 0.000 0.767 307 P CB 0.453 32.160 31.700 0.012 0.000 0.820 308 c N 5.097 123.699 118.600 0.004 0.000 2.349 308 c HA 0.236 4.806 4.570 -0.000 0.000 0.348 308 c C -1.735 172.363 174.090 0.014 0.000 1.223 308 c CA -1.030 55.304 56.329 0.009 0.000 1.746 308 c CB -0.760 41.752 42.510 0.003 0.000 2.360 308 c HN 0.555 nan 8.230 nan 0.000 0.533 309 P HA -0.010 nan 4.420 nan 0.000 0.267 309 P C -0.095 177.218 177.300 0.022 0.000 1.175 309 P CA 0.556 63.668 63.100 0.019 0.000 0.763 309 P CB 0.276 31.989 31.700 0.021 0.000 0.795 310 K N 1.301 121.715 120.400 0.023 0.000 3.529 310 K HA 0.153 4.473 4.320 -0.000 0.000 0.163 310 K C -1.117 175.500 176.600 0.029 0.000 1.066 310 K CA -0.223 56.078 56.287 0.025 0.000 0.748 310 K CB 0.267 32.780 32.500 0.020 0.000 0.839 310 K HN 0.071 nan 8.250 nan 0.000 0.503 311 V N 2.358 122.292 119.914 0.034 0.000 2.539 311 V HA -0.143 3.977 4.120 -0.000 0.000 0.294 311 V C 0.220 176.352 176.094 0.064 0.000 0.994 311 V CA 0.442 62.767 62.300 0.041 0.000 1.169 311 V CB -0.614 31.244 31.823 0.059 0.000 0.898 311 V HN 0.542 nan 8.190 nan 0.000 0.471 312 c N 6.707 125.333 118.600 0.044 0.000 2.285 312 c HA 0.378 4.948 4.570 -0.000 0.000 0.335 312 c C 0.623 174.749 174.090 0.060 0.000 1.267 312 c CA -1.051 55.314 56.329 0.061 0.000 1.762 312 c CB -0.684 41.849 42.510 0.039 0.000 2.365 312 c HN 0.780 nan 8.230 nan 0.000 0.527 313 H N 1.634 120.697 119.070 -0.013 0.000 2.707 313 H HA 0.232 4.788 4.556 -0.000 0.000 0.359 313 H C -0.324 174.994 175.328 -0.016 0.000 1.113 313 H CA 0.192 56.229 56.048 -0.019 0.000 1.422 313 H CB 0.855 30.604 29.762 -0.022 0.000 1.443 313 H HN 0.550 nan 8.280 nan 0.000 0.591 314 L N 4.707 125.950 121.223 0.035 0.000 2.257 314 L HA 0.136 4.476 4.340 -0.000 0.000 0.290 314 L C 0.145 177.030 176.870 0.025 0.000 1.044 314 L CA -0.667 54.179 54.840 0.011 0.000 0.810 314 L CB 0.647 42.685 42.059 -0.035 0.000 1.193 314 L HN 0.362 nan 8.230 nan 0.000 0.425 315 L N 4.763 126.002 121.223 0.027 0.000 2.771 315 L HA -0.083 4.257 4.340 -0.000 0.000 0.278 315 L C 0.789 177.666 176.870 0.012 0.000 1.175 315 L CA 0.163 55.016 54.840 0.021 0.000 0.973 315 L CB -0.631 41.440 42.059 0.018 0.000 1.286 315 L HN 0.760 nan 8.230 nan 0.000 0.481 316 E N 2.971 123.177 120.200 0.011 0.000 2.842 316 E HA -0.228 4.122 4.350 -0.000 0.000 0.353 316 E C 0.995 177.588 176.600 -0.012 0.000 1.387 316 E CA 1.710 58.110 56.400 0.001 0.000 1.150 316 E CB -1.398 28.301 29.700 -0.002 0.000 1.709 316 E HN 0.889 nan 8.360 nan 0.000 0.544 317 G N 1.089 109.870 108.800 -0.032 0.000 3.873 317 G HA2 0.381 4.341 3.960 -0.000 0.000 0.232 317 G HA3 0.381 4.341 3.960 -0.000 0.000 0.232 317 G C -0.871 173.970 174.900 -0.098 0.000 1.097 317 G CA 0.615 45.673 45.100 -0.069 0.000 0.889 317 G HN 0.254 nan 8.290 nan 0.000 0.532 318 E N 0.575 120.742 120.200 -0.054 0.000 2.639 318 E HA 0.311 4.661 4.350 -0.000 0.000 0.378 318 E C -1.280 175.326 176.600 0.010 0.000 1.002 318 E CA -0.799 55.579 56.400 -0.036 0.000 0.747 318 E CB 0.899 30.579 29.700 -0.034 0.000 1.571 318 E HN -0.154 nan 8.360 nan 0.000 0.382 319 K N 2.557 122.970 120.400 0.022 0.000 2.357 319 K HA 0.241 4.561 4.320 -0.000 0.000 0.251 319 K C -0.390 176.248 176.600 0.063 0.000 1.069 319 K CA -0.386 55.923 56.287 0.038 0.000 0.994 319 K CB 1.283 33.801 32.500 0.032 0.000 1.411 319 K HN 0.721 nan 8.250 nan 0.000 0.450 320 T N 1.569 116.163 114.554 0.066 0.000 2.832 320 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 320 T C 0.751 175.496 174.700 0.075 0.000 0.968 320 T CA -0.776 61.376 62.100 0.086 0.000 1.107 320 T CB 0.213 69.128 68.868 0.079 0.000 0.916 320 T HN 0.379 nan 8.240 nan 0.000 0.517 321 I N 2.455 123.082 120.570 0.095 0.000 2.353 321 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 321 I C -0.415 175.729 176.117 0.044 0.000 0.992 321 I CA -0.804 60.537 61.300 0.069 0.000 1.268 321 I CB 1.313 39.368 38.000 0.092 0.000 1.387 321 I HN 0.770 nan 8.210 nan 0.000 0.478 322 D N 2.315 122.725 120.400 0.017 0.000 2.530 322 D HA 0.110 4.750 4.640 -0.000 0.000 0.253 322 D C -0.060 176.231 176.300 -0.014 0.000 1.338 322 D CA -0.112 53.891 54.000 0.006 0.000 0.806 322 D CB 0.339 41.148 40.800 0.014 0.000 1.160 322 D HN 0.640 nan 8.370 nan 0.000 0.514 323 S N -1.032 114.653 115.700 -0.025 0.000 2.558 323 S HA 0.343 4.813 4.470 -0.000 0.000 0.277 323 S C 1.012 175.584 174.600 -0.046 0.000 1.143 323 S CA -0.359 57.819 58.200 -0.037 0.000 0.865 323 S CB 1.211 64.397 63.200 -0.025 0.000 1.102 323 S HN 0.155 nan 8.310 nan 0.000 0.454 324 V N 0.745 120.623 119.914 -0.059 0.000 2.265 324 V HA -0.324 3.796 4.120 -0.000 0.000 0.259 324 V C 2.336 178.406 176.094 -0.041 0.000 1.084 324 V CA 2.726 64.989 62.300 -0.062 0.000 1.076 324 V CB -2.520 29.269 31.823 -0.056 0.000 0.680 324 V HN 1.007 nan 8.190 nan 0.000 0.452 325 T N 0.672 115.208 114.554 -0.030 0.000 2.985 325 T HA -0.082 4.267 4.350 -0.000 0.000 0.266 325 T C 2.038 176.732 174.700 -0.010 0.000 1.076 325 T CA 1.473 63.560 62.100 -0.021 0.000 1.135 325 T CB -0.400 68.456 68.868 -0.020 0.000 0.890 325 T HN 0.847 nan 8.240 nan 0.000 0.480 326 S N 1.950 117.645 115.700 -0.007 0.000 2.419 326 S HA 0.062 4.532 4.470 -0.000 0.000 0.233 326 S C 2.291 176.902 174.600 0.019 0.000 1.016 326 S CA 0.684 58.888 58.200 0.006 0.000 0.974 326 S CB -0.472 62.733 63.200 0.010 0.000 0.786 326 S HN 0.536 nan 8.310 nan 0.000 0.492 327 A N 1.241 124.068 122.820 0.011 0.000 1.911 327 A HA 0.139 4.459 4.320 -0.000 0.000 0.212 327 A C 2.236 179.839 177.584 0.031 0.000 1.189 327 A CA 0.918 52.975 52.037 0.033 0.000 0.639 327 A CB -0.833 18.175 19.000 0.014 0.000 0.839 327 A HN 0.492 nan 8.150 nan 0.000 0.449 328 Q N 0.516 120.322 119.800 0.010 0.000 2.217 328 Q HA -0.211 4.129 4.340 -0.000 0.000 0.209 328 Q C 0.584 176.590 176.000 0.010 0.000 0.988 328 Q CA 1.619 57.425 55.803 0.006 0.000 0.878 328 Q CB -0.227 28.506 28.738 -0.009 0.000 0.909 328 Q HN 0.873 nan 8.270 nan 0.000 0.424 329 E N -0.335 119.872 120.200 0.012 0.000 2.346 329 E HA 0.028 4.378 4.350 -0.000 0.000 0.317 329 E C 0.435 177.053 176.600 0.031 0.000 1.404 329 E CA 0.081 56.489 56.400 0.014 0.000 1.534 329 E CB 0.134 29.838 29.700 0.008 0.000 1.309 329 E HN 0.346 nan 8.360 nan 0.000 0.499 330 L N 0.621 121.867 121.223 0.037 0.000 4.413 330 L HA 0.007 4.347 4.340 -0.000 0.000 0.460 330 L C 0.284 177.187 176.870 0.055 0.000 0.873 330 L CA -0.402 54.471 54.840 0.055 0.000 1.906 330 L CB 0.238 42.350 42.059 0.087 0.000 2.273 330 L HN 0.297 nan 8.230 nan 0.000 0.603 331 R N 0.981 121.508 120.500 0.046 0.000 2.478 331 R HA 0.107 4.447 4.340 -0.000 0.000 0.281 331 R C 1.044 177.368 176.300 0.040 0.000 0.939 331 R CA 1.122 57.250 56.100 0.045 0.000 1.120 331 R CB -0.359 29.957 30.300 0.027 0.000 0.885 331 R HN 0.261 nan 8.270 nan 0.000 0.415 332 G N 1.755 110.585 108.800 0.050 0.000 2.186 332 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.266 332 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.266 332 G C 0.449 175.373 174.900 0.040 0.000 0.982 332 G CA 0.200 45.325 45.100 0.040 0.000 0.670 332 G HN 0.915 nan 8.290 nan 0.000 0.533 333 c N 0.387 119.017 118.600 0.049 0.000 2.703 333 c HA 0.556 5.126 4.570 -0.000 0.000 0.411 333 c C 2.153 176.272 174.090 0.047 0.000 1.290 333 c CA 1.539 57.895 56.329 0.045 0.000 2.054 333 c CB 0.679 43.221 42.510 0.053 0.000 2.732 333 c HN 0.998 nan 8.230 nan 0.000 0.650 334 T N 0.520 115.093 114.554 0.032 0.000 3.087 334 T HA 0.328 4.678 4.350 -0.000 0.000 0.283 334 T C -0.436 174.268 174.700 0.007 0.000 0.956 334 T CA -0.022 62.093 62.100 0.025 0.000 0.894 334 T CB -0.014 68.867 68.868 0.021 0.000 1.160 334 T HN 0.507 nan 8.240 nan 0.000 0.532 335 V N 2.114 122.029 119.914 0.002 0.000 2.624 335 V HA 0.479 4.599 4.120 -0.000 0.000 0.294 335 V C -1.152 174.922 176.094 -0.034 0.000 1.077 335 V CA -1.018 61.269 62.300 -0.022 0.000 0.905 335 V CB 1.447 33.255 31.823 -0.026 0.000 1.025 335 V HN 0.270 nan 8.190 nan 0.000 0.440 336 I N 4.112 124.654 120.570 -0.046 0.000 2.379 336 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 336 I C 0.524 176.576 176.117 -0.109 0.000 1.063 336 I CA 0.173 61.438 61.300 -0.058 0.000 1.351 336 I CB 0.781 38.756 38.000 -0.041 0.000 1.410 336 I HN 0.623 nan 8.210 nan 0.000 0.505 337 N N 5.373 123.972 118.700 -0.168 0.000 2.469 337 N HA 0.606 5.346 4.740 -0.000 0.000 0.239 337 N C 0.108 175.481 175.510 -0.228 0.000 1.053 337 N CA 0.863 53.751 53.050 -0.269 0.000 0.937 337 N CB 0.399 38.536 38.487 -0.583 0.000 1.163 337 N HN 0.826 nan 8.380 nan 0.000 0.509 338 G N 1.279 109.966 108.800 -0.187 0.000 2.250 338 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.196 338 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.196 338 G C -1.408 173.363 174.900 -0.215 0.000 1.308 338 G CA -0.551 44.432 45.100 -0.195 0.000 1.207 338 G HN 0.529 nan 8.290 nan 0.000 0.505 339 S N -0.279 115.262 115.700 -0.265 0.000 2.566 339 S HA 0.796 5.266 4.470 -0.000 0.000 0.298 339 S C -0.574 174.000 174.600 -0.043 0.000 1.083 339 S CA -0.579 57.477 58.200 -0.241 0.000 0.978 339 S CB 1.498 64.209 63.200 -0.814 0.000 1.073 339 S HN 1.087 nan 8.310 nan 0.000 0.491 340 L N 0.631 121.907 121.223 0.089 0.000 2.322 340 L HA 0.723 5.063 4.340 -0.000 0.000 0.269 340 L C -0.609 176.405 176.870 0.240 0.000 1.012 340 L CA -0.651 54.282 54.840 0.155 0.000 0.815 340 L CB 0.034 42.203 42.059 0.183 0.000 1.295 340 L HN 0.545 nan 8.230 nan 0.000 0.438 341 I N 2.874 123.566 120.570 0.203 0.000 2.420 341 I HA 0.314 4.484 4.170 -0.000 0.000 0.282 341 I C -0.641 175.575 176.117 0.166 0.000 1.019 341 I CA -0.528 60.877 61.300 0.174 0.000 1.130 341 I CB 1.490 39.563 38.000 0.121 0.000 1.262 341 I HN 0.424 nan 8.210 nan 0.000 0.454 342 I N 5.826 126.518 120.570 0.203 0.000 2.517 342 I HA 0.049 4.219 4.170 -0.000 0.000 0.285 342 I C 0.457 176.643 176.117 0.115 0.000 1.106 342 I CA 0.555 61.967 61.300 0.187 0.000 1.402 342 I CB 0.083 38.236 38.000 0.255 0.000 1.399 342 I HN 0.636 nan 8.210 nan 0.000 0.535 343 N N 8.540 127.289 118.700 0.082 0.000 2.726 343 N HA 0.290 5.030 4.740 -0.000 0.000 0.253 343 N C -1.057 174.475 175.510 0.037 0.000 1.530 343 N CA -0.250 52.837 53.050 0.061 0.000 0.772 343 N CB 0.596 39.116 38.487 0.055 0.000 1.220 343 N HN 0.443 nan 8.380 nan 0.000 0.508 344 I N 2.254 122.839 120.570 0.024 0.000 2.315 344 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 344 I C 1.291 177.424 176.117 0.027 0.000 1.006 344 I CA -0.625 60.669 61.300 -0.009 0.000 1.265 344 I CB 1.511 39.463 38.000 -0.080 0.000 1.387 344 I HN 0.054 nan 8.210 nan 0.000 0.475 345 R N 3.935 124.451 120.500 0.027 0.000 2.221 345 R HA 0.379 4.719 4.340 -0.000 0.000 0.195 345 R C 0.667 177.008 176.300 0.070 0.000 0.956 345 R CA 0.117 56.254 56.100 0.061 0.000 1.064 345 R CB 0.838 31.148 30.300 0.016 0.000 1.049 345 R HN 0.835 nan 8.270 nan 0.000 0.534 346 G N -1.369 107.442 108.800 0.019 0.000 2.634 346 G HA2 0.486 4.445 3.960 -0.000 0.000 0.309 346 G HA3 0.486 4.445 3.960 -0.000 0.000 0.309 346 G C -1.195 173.690 174.900 -0.025 0.000 1.299 346 G CA -0.094 45.012 45.100 0.010 0.000 0.798 346 G HN 0.337 nan 8.290 nan 0.000 0.490 347 G N -0.734 108.049 108.800 -0.029 0.000 2.653 347 G HA2 0.150 4.110 3.960 -0.000 0.000 0.656 347 G HA3 0.150 4.110 3.960 -0.000 0.000 0.656 347 G C -0.604 174.266 174.900 -0.049 0.000 1.419 347 G CA -0.505 44.569 45.100 -0.043 0.000 0.862 347 G HN 1.014 nan 8.290 nan 0.000 0.639 348 N N 2.175 120.847 118.700 -0.046 0.000 2.276 348 N HA -0.082 4.658 4.740 -0.000 0.000 0.279 348 N C 0.566 176.042 175.510 -0.057 0.000 1.379 348 N CA 0.206 53.227 53.050 -0.048 0.000 0.886 348 N CB 0.158 38.618 38.487 -0.044 0.000 1.199 348 N HN 0.640 nan 8.380 nan 0.000 0.493 349 N N 1.711 120.376 118.700 -0.059 0.000 3.044 349 N HA -0.177 4.563 4.740 -0.000 0.000 0.308 349 N C 0.357 175.820 175.510 -0.077 0.000 1.097 349 N CA 0.277 53.287 53.050 -0.067 0.000 0.828 349 N CB -0.187 38.261 38.487 -0.066 0.000 0.968 349 N HN 0.418 nan 8.380 nan 0.000 0.623 350 L N 0.712 121.876 121.223 -0.098 0.000 2.491 350 L HA 0.470 4.810 4.340 -0.000 0.000 0.158 350 L C 1.927 178.713 176.870 -0.140 0.000 1.029 350 L CA 0.542 55.300 54.840 -0.137 0.000 1.656 350 L CB -1.277 40.665 42.059 -0.195 0.000 2.075 350 L HN 0.382 nan 8.230 nan 0.000 0.484 351 A N -1.749 120.943 122.820 -0.213 0.000 2.617 351 A HA -0.278 4.042 4.320 -0.000 0.000 0.236 351 A C 1.811 179.341 177.584 -0.091 0.000 0.551 351 A CA 3.204 55.142 52.037 -0.165 0.000 1.144 351 A CB -2.479 16.469 19.000 -0.087 0.000 1.384 351 A HN 1.650 nan 8.150 nan 0.000 0.694 352 A N -2.261 120.513 122.820 -0.077 0.000 1.884 352 A HA 0.291 4.611 4.320 -0.000 0.000 0.212 352 A C 1.579 179.132 177.584 -0.051 0.000 1.265 352 A CA 1.376 53.383 52.037 -0.049 0.000 0.626 352 A CB -0.386 18.584 19.000 -0.050 0.000 0.943 352 A HN 0.478 nan 8.150 nan 0.000 0.466 353 E N -0.303 119.856 120.200 -0.068 0.000 2.396 353 E HA -0.145 4.205 4.350 -0.000 0.000 0.200 353 E C 1.553 178.103 176.600 -0.083 0.000 1.023 353 E CA 0.589 56.950 56.400 -0.064 0.000 0.857 353 E CB -0.064 29.595 29.700 -0.069 0.000 0.775 353 E HN 0.393 nan 8.360 nan 0.000 0.525 354 L N 0.463 121.604 121.223 -0.136 0.000 2.221 354 L HA 0.028 4.368 4.340 -0.000 0.000 0.202 354 L C 2.042 178.888 176.870 -0.039 0.000 1.074 354 L CA 1.378 56.085 54.840 -0.221 0.000 0.795 354 L CB -0.291 41.424 42.059 -0.573 0.000 0.960 354 L HN -0.028 nan 8.230 nan 0.000 0.458 355 E N -0.526 119.694 120.200 0.032 0.000 2.015 355 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 355 E C 2.090 178.761 176.600 0.119 0.000 0.991 355 E CA 1.136 57.624 56.400 0.146 0.000 0.802 355 E CB -0.140 29.624 29.700 0.107 0.000 0.759 355 E HN 0.496 nan 8.360 nan 0.000 0.447 356 A N 1.152 124.009 122.820 0.062 0.000 2.093 356 A HA -0.208 4.111 4.320 -0.000 0.000 0.222 356 A C 1.464 179.087 177.584 0.065 0.000 1.162 356 A CA 1.568 53.637 52.037 0.053 0.000 0.655 356 A CB -0.513 18.501 19.000 0.023 0.000 0.805 356 A HN 0.306 nan 8.150 nan 0.000 0.461 357 N N -1.710 117.035 118.700 0.075 0.000 2.203 357 N HA 0.388 5.128 4.740 -0.000 0.000 0.207 357 N C 0.301 175.896 175.510 0.141 0.000 1.130 357 N CA 0.203 53.302 53.050 0.080 0.000 0.861 357 N CB 0.578 39.092 38.487 0.046 0.000 1.005 357 N HN 0.397 nan 8.380 nan 0.000 0.507 358 L N -1.744 119.601 121.223 0.203 0.000 3.337 358 L HA 0.234 4.573 4.340 -0.000 0.000 0.313 358 L C 2.147 179.210 176.870 0.323 0.000 1.071 358 L CA 0.063 55.094 54.840 0.318 0.000 1.192 358 L CB -0.138 42.220 42.059 0.499 0.000 1.895 358 L HN -0.019 nan 8.230 nan 0.000 0.596 359 G N 1.759 110.719 108.800 0.268 0.000 2.624 359 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 359 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 359 G C 1.328 176.340 174.900 0.187 0.000 1.169 359 G CA 1.166 46.406 45.100 0.233 0.000 0.771 359 G HN 0.156 nan 8.290 nan 0.000 0.598 360 L N 0.825 122.131 121.223 0.138 0.000 2.447 360 L HA 0.111 4.451 4.340 -0.000 0.000 0.225 360 L C 1.531 178.451 176.870 0.084 0.000 1.148 360 L CA 0.468 55.364 54.840 0.094 0.000 0.808 360 L CB -1.186 40.915 42.059 0.070 0.000 0.928 360 L HN 0.255 nan 8.230 nan 0.000 0.448 361 I N 0.742 121.379 120.570 0.112 0.000 2.742 361 I HA -0.138 4.032 4.170 -0.000 0.000 0.287 361 I C 1.456 177.589 176.117 0.026 0.000 1.186 361 I CA 0.416 61.755 61.300 0.065 0.000 1.417 361 I CB 0.486 38.527 38.000 0.069 0.000 1.377 361 I HN 0.228 nan 8.210 nan 0.000 0.556 362 E N 5.350 125.546 120.200 -0.007 0.000 2.290 362 E HA 0.045 4.395 4.350 -0.000 0.000 0.197 362 E C -0.185 176.376 176.600 -0.065 0.000 0.948 362 E CA 0.384 56.766 56.400 -0.030 0.000 0.895 362 E CB 0.479 30.165 29.700 -0.024 0.000 0.865 362 E HN 0.709 nan 8.360 nan 0.000 0.486 363 E N 0.660 120.819 120.200 -0.068 0.000 2.408 363 E HA 0.582 4.932 4.350 -0.000 0.000 0.275 363 E C -0.873 175.673 176.600 -0.091 0.000 0.935 363 E CA -0.625 55.726 56.400 -0.081 0.000 0.775 363 E CB 2.245 31.907 29.700 -0.063 0.000 1.277 363 E HN -0.097 nan 8.360 nan 0.000 0.455 364 I N 2.298 122.815 120.570 -0.088 0.000 2.468 364 I HA 0.074 4.244 4.170 -0.000 0.000 0.285 364 I C 1.206 177.285 176.117 -0.064 0.000 1.039 364 I CA -0.541 60.712 61.300 -0.079 0.000 1.074 364 I CB 1.939 39.895 38.000 -0.073 0.000 1.228 364 I HN 0.826 nan 8.210 nan 0.000 0.436 365 S N 5.300 120.950 115.700 -0.083 0.000 2.363 365 S HA -0.089 4.381 4.470 -0.000 0.000 0.218 365 S C 1.362 175.920 174.600 -0.071 0.000 1.035 365 S CA 1.391 59.541 58.200 -0.084 0.000 1.043 365 S CB -0.482 62.647 63.200 -0.120 0.000 0.986 365 S HN 0.717 nan 8.310 nan 0.000 0.423 366 G N 1.145 109.882 108.800 -0.105 0.000 3.048 366 G HA2 0.401 4.361 3.960 -0.000 0.000 0.151 366 G HA3 0.401 4.361 3.960 -0.000 0.000 0.151 366 G C 0.044 174.940 174.900 -0.006 0.000 1.803 366 G CA 0.227 45.251 45.100 -0.126 0.000 1.047 366 G HN 0.780 nan 8.290 nan 0.000 0.513 367 Y N -1.436 118.872 120.300 0.013 0.000 2.528 367 Y HA 0.753 5.303 4.550 -0.000 0.000 0.335 367 Y C -0.910 175.028 175.900 0.064 0.000 1.093 367 Y CA -3.214 54.917 58.100 0.052 0.000 1.134 367 Y CB 1.216 39.701 38.460 0.042 0.000 1.253 367 Y HN 0.324 nan 8.280 nan 0.000 0.478 368 L N 3.829 125.311 121.223 0.432 0.000 2.287 368 L HA 0.540 4.880 4.340 -0.000 0.000 0.287 368 L C -0.689 176.217 176.870 0.059 0.000 1.022 368 L CA -0.882 54.155 54.840 0.329 0.000 0.814 368 L CB 0.739 43.056 42.059 0.429 0.000 1.217 368 L HN 0.866 nan 8.230 nan 0.000 0.420 369 K N 6.484 126.894 120.400 0.017 0.000 2.316 369 K HA 0.584 4.904 4.320 -0.000 0.000 0.251 369 K C -1.579 175.006 176.600 -0.025 0.000 0.934 369 K CA -0.740 55.456 56.287 -0.153 0.000 0.802 369 K CB 1.742 34.039 32.500 -0.338 0.000 1.171 369 K HN 0.753 nan 8.250 nan 0.000 0.426 370 I N 4.640 125.178 120.570 -0.052 0.000 2.531 370 I HA 0.394 4.564 4.170 -0.000 0.000 0.283 370 I C -1.419 174.736 176.117 0.063 0.000 1.083 370 I CA -0.576 60.746 61.300 0.036 0.000 1.071 370 I CB 1.067 39.111 38.000 0.073 0.000 1.210 370 I HN 0.786 nan 8.210 nan 0.000 0.450 371 R N 6.386 126.941 120.500 0.092 0.000 2.854 371 R HA 0.612 4.952 4.340 -0.000 0.000 0.271 371 R C -0.470 175.892 176.300 0.103 0.000 0.994 371 R CA -0.600 55.569 56.100 0.114 0.000 0.945 371 R CB 1.279 31.655 30.300 0.125 0.000 1.194 371 R HN 0.721 nan 8.270 nan 0.000 0.476 372 R N 0.658 121.227 120.500 0.115 0.000 3.314 372 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 372 R C -0.672 175.698 176.300 0.117 0.000 0.954 372 R CA 0.947 57.117 56.100 0.116 0.000 0.645 372 R CB -1.922 28.430 30.300 0.087 0.000 1.022 372 R HN 0.554 nan 8.270 nan 0.000 0.468 373 S N 0.854 116.618 115.700 0.108 0.000 4.087 373 S HA 0.071 4.541 4.470 -0.000 0.000 0.213 373 S C 0.675 175.331 174.600 0.092 0.000 1.415 373 S CA -0.549 57.703 58.200 0.087 0.000 0.893 373 S CB -0.017 63.223 63.200 0.066 0.000 1.529 373 S HN 0.400 nan 8.310 nan 0.000 0.457 374 Y N 2.540 122.840 120.300 0.000 0.000 2.314 374 Y HA 0.006 4.556 4.550 -0.000 0.000 0.293 374 Y C 2.004 177.893 175.900 -0.017 0.000 1.129 374 Y CA 1.382 59.480 58.100 -0.004 0.000 1.201 374 Y CB -0.096 38.362 38.460 -0.003 0.000 0.999 374 Y HN 0.581 nan 8.280 nan 0.000 0.541 375 A N -0.002 122.865 122.820 0.077 0.000 2.238 375 A HA 0.187 4.507 4.320 -0.000 0.000 0.208 375 A C 0.560 178.089 177.584 -0.093 0.000 1.177 375 A CA -0.101 51.920 52.037 -0.025 0.000 0.804 375 A CB -0.613 18.402 19.000 0.025 0.000 0.823 375 A HN 0.335 nan 8.150 nan 0.000 0.482 376 L N -0.548 120.626 121.223 -0.082 0.000 2.312 376 L HA 0.286 4.626 4.340 -0.000 0.000 0.281 376 L C 1.196 178.005 176.870 -0.102 0.000 1.070 376 L CA -0.257 54.533 54.840 -0.084 0.000 0.805 376 L CB 1.864 43.906 42.059 -0.028 0.000 1.174 376 L HN 0.083 nan 8.230 nan 0.000 0.434 377 V N 1.520 121.370 119.914 -0.106 0.000 3.359 377 V HA 0.197 4.317 4.120 -0.000 0.000 0.245 377 V C 0.375 176.374 176.094 -0.157 0.000 1.247 377 V CA 0.520 62.742 62.300 -0.130 0.000 1.145 377 V CB 1.358 33.104 31.823 -0.128 0.000 0.906 377 V HN 0.724 nan 8.190 nan 0.000 0.464 378 S N -0.654 114.954 115.700 -0.153 0.000 2.575 378 S HA 0.436 4.906 4.470 -0.000 0.000 0.278 378 S C 0.096 174.539 174.600 -0.262 0.000 1.139 378 S CA -0.612 57.443 58.200 -0.242 0.000 0.954 378 S CB 1.624 64.663 63.200 -0.268 0.000 1.054 378 S HN 0.236 nan 8.310 nan 0.000 0.483 379 L N 3.964 124.857 121.223 -0.551 0.000 2.633 379 L HA 0.017 4.357 4.340 -0.000 0.000 0.235 379 L C 2.550 178.611 176.870 -1.349 0.000 1.163 379 L CA 0.919 55.171 54.840 -0.980 0.000 0.859 379 L CB -0.603 40.680 42.059 -1.293 0.000 0.973 379 L HN 0.890 nan 8.230 nan 0.000 0.451 380 S N 1.085 116.251 115.700 -0.889 0.000 2.462 380 S HA -0.235 4.235 4.470 -0.000 0.000 0.243 380 S C 1.799 176.245 174.600 -0.257 0.000 1.003 380 S CA 1.082 58.923 58.200 -0.599 0.000 0.970 380 S CB -0.664 62.345 63.200 -0.319 0.000 0.762 380 S HN 0.613 nan 8.310 nan 0.000 0.510 381 F N -0.751 119.051 119.950 -0.246 0.000 2.604 381 F HA 0.406 4.933 4.527 -0.000 0.000 0.298 381 F C 0.533 176.338 175.800 0.008 0.000 1.131 381 F CA -0.621 57.296 58.000 -0.138 0.000 1.457 381 F CB -0.795 38.067 39.000 -0.230 0.000 1.095 381 F HN 0.082 nan 8.300 nan 0.000 0.574 382 F N 2.425 122.108 119.950 -0.445 0.000 2.705 382 F HA 0.320 4.847 4.527 -0.000 0.000 0.355 382 F C 1.838 177.807 175.800 0.282 0.000 1.172 382 F CA -1.132 56.883 58.000 0.023 0.000 1.332 382 F CB -0.661 38.472 39.000 0.222 0.000 1.621 382 F HN -0.063 nan 8.300 nan 0.000 0.605 383 R N 1.353 122.063 120.500 0.351 0.000 2.119 383 R HA -0.213 4.127 4.340 -0.000 0.000 0.246 383 R C 1.486 177.993 176.300 0.344 0.000 1.146 383 R CA 1.806 58.092 56.100 0.310 0.000 0.962 383 R CB -0.115 30.305 30.300 0.200 0.000 0.863 383 R HN 0.091 nan 8.270 nan 0.000 0.442 384 K N -0.685 119.870 120.400 0.257 0.000 2.399 384 K HA 0.277 4.597 4.320 -0.000 0.000 0.204 384 K C -0.535 176.111 176.600 0.077 0.000 1.023 384 K CA -0.124 56.248 56.287 0.141 0.000 1.127 384 K CB 0.249 32.805 32.500 0.094 0.000 0.856 384 K HN 0.116 nan 8.250 nan 0.000 0.514 385 L N 1.681 122.976 121.223 0.120 0.000 2.407 385 L HA 0.147 4.487 4.340 -0.000 0.000 0.282 385 L C 0.396 177.187 176.870 -0.131 0.000 1.110 385 L CA 0.143 54.964 54.840 -0.032 0.000 0.863 385 L CB 0.278 42.292 42.059 -0.075 0.000 1.207 385 L HN 0.182 nan 8.230 nan 0.000 0.454 386 R N 4.812 125.225 120.500 -0.145 0.000 2.308 386 R HA 0.314 4.654 4.340 -0.000 0.000 0.202 386 R C -0.492 175.715 176.300 -0.155 0.000 0.898 386 R CA -0.150 55.842 56.100 -0.180 0.000 1.046 386 R CB 0.533 30.740 30.300 -0.155 0.000 1.026 386 R HN 0.416 nan 8.270 nan 0.000 0.512 387 L N 0.958 122.098 121.223 -0.138 0.000 2.543 387 L HA 0.469 4.809 4.340 -0.000 0.000 0.265 387 L C -1.742 175.072 176.870 -0.093 0.000 0.945 387 L CA -0.541 54.234 54.840 -0.108 0.000 0.869 387 L CB 2.156 44.165 42.059 -0.083 0.000 1.294 387 L HN 0.051 nan 8.230 nan 0.000 0.405 388 I N 5.620 126.151 120.570 -0.066 0.000 2.502 388 I HA 0.350 4.520 4.170 -0.000 0.000 0.276 388 I C 1.205 177.323 176.117 0.001 0.000 1.057 388 I CA -0.340 60.950 61.300 -0.017 0.000 1.163 388 I CB 1.581 39.607 38.000 0.043 0.000 1.288 388 I HN 0.695 nan 8.210 nan 0.000 0.479 389 R N 3.680 124.171 120.500 -0.014 0.000 2.092 389 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 389 R C 1.381 177.686 176.300 0.008 0.000 1.119 389 R CA 1.201 57.293 56.100 -0.014 0.000 0.970 389 R CB 0.002 30.284 30.300 -0.029 0.000 0.864 389 R HN 0.916 nan 8.270 nan 0.000 0.440 390 G N 0.724 109.538 108.800 0.023 0.000 2.272 390 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 390 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 390 G C 0.260 175.166 174.900 0.010 0.000 1.067 390 G CA 0.597 45.724 45.100 0.046 0.000 0.902 390 G HN 0.474 nan 8.290 nan 0.000 0.500 391 E N -0.464 119.723 120.200 -0.022 0.000 2.110 391 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 391 E C 1.377 177.953 176.600 -0.040 0.000 0.988 391 E CA 1.485 57.865 56.400 -0.034 0.000 0.804 391 E CB 0.018 29.688 29.700 -0.050 0.000 0.745 391 E HN 0.693 nan 8.360 nan 0.000 0.458 392 T N -0.170 114.344 114.554 -0.066 0.000 2.918 392 T HA 0.666 5.016 4.350 -0.000 0.000 0.286 392 T C -0.133 174.551 174.700 -0.026 0.000 1.026 392 T CA -0.733 61.320 62.100 -0.078 0.000 1.031 392 T CB 1.849 70.621 68.868 -0.159 0.000 1.046 392 T HN -0.072 nan 8.240 nan 0.000 0.479 393 L N 0.487 121.744 121.223 0.057 0.000 2.415 393 L HA 0.573 4.913 4.340 -0.000 0.000 0.256 393 L C -0.265 176.797 176.870 0.321 0.000 1.010 393 L CA -1.414 53.571 54.840 0.242 0.000 0.826 393 L CB 2.228 44.367 42.059 0.133 0.000 1.405 393 L HN 0.595 nan 8.230 nan 0.000 0.410 394 E N 1.456 121.888 120.200 0.386 0.000 2.452 394 E HA 0.009 4.359 4.350 -0.000 0.000 0.261 394 E C -0.198 176.420 176.600 0.030 0.000 0.987 394 E CA -0.170 56.279 56.400 0.082 0.000 0.926 394 E CB 0.686 30.206 29.700 -0.300 0.000 0.934 394 E HN 0.401 nan 8.360 nan 0.000 0.452 395 I N 4.821 125.386 120.570 -0.007 0.000 3.269 395 I HA 0.046 4.216 4.170 -0.000 0.000 0.290 395 I C 0.925 177.020 176.117 -0.037 0.000 1.217 395 I CA 2.042 63.323 61.300 -0.031 0.000 1.384 395 I CB -0.686 37.289 38.000 -0.042 0.000 1.476 395 I HN 0.679 nan 8.210 nan 0.000 0.566 396 G N 5.445 114.188 108.800 -0.095 0.000 2.200 396 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.145 396 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.145 396 G C 0.429 175.026 174.900 -0.505 0.000 1.021 396 G CA -0.144 44.804 45.100 -0.254 0.000 0.720 396 G HN 0.701 nan 8.290 nan 0.000 0.494 397 N N -1.257 117.299 118.700 -0.240 0.000 2.741 397 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 397 N C -0.247 175.161 175.510 -0.169 0.000 1.115 397 N CA 1.375 54.316 53.050 -0.181 0.000 0.724 397 N CB -1.662 36.713 38.487 -0.186 0.000 1.090 397 N HN 0.705 nan 8.380 nan 0.000 0.558 398 Y N 0.101 120.422 120.300 0.035 0.000 2.313 398 Y HA 0.241 4.791 4.550 -0.000 0.000 0.332 398 Y C 1.764 177.717 175.900 0.089 0.000 1.071 398 Y CA 0.041 58.183 58.100 0.070 0.000 1.169 398 Y CB 1.174 39.691 38.460 0.096 0.000 1.192 398 Y HN 0.111 nan 8.280 nan 0.000 0.487 399 S N 2.259 118.148 115.700 0.315 0.000 2.506 399 S HA 0.187 4.657 4.470 -0.000 0.000 0.219 399 S C -0.430 174.380 174.600 0.350 0.000 1.031 399 S CA -0.097 58.279 58.200 0.294 0.000 0.911 399 S CB 0.319 63.653 63.200 0.223 0.000 0.812 399 S HN 0.442 nan 8.310 nan 0.000 0.497 400 F N 1.210 121.246 119.950 0.145 0.000 2.547 400 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 400 F C -1.655 174.144 175.800 -0.000 0.000 1.121 400 F CA -1.555 56.496 58.000 0.084 0.000 0.911 400 F CB 1.855 40.898 39.000 0.072 0.000 1.179 400 F HN 0.148 nan 8.300 nan 0.000 0.443 401 Y N 4.765 124.577 120.300 -0.812 0.000 2.301 401 Y HA 0.677 5.227 4.550 -0.000 0.000 0.325 401 Y C -1.432 174.128 175.900 -0.567 0.000 1.103 401 Y CA -0.659 57.118 58.100 -0.537 0.000 1.182 401 Y CB 1.205 39.397 38.460 -0.446 0.000 1.139 401 Y HN 0.794 nan 8.280 nan 0.000 0.443 402 A N 6.585 129.059 122.820 -0.576 0.000 2.291 402 A HA 0.726 5.046 4.320 -0.000 0.000 0.311 402 A C -1.910 175.568 177.584 -0.176 0.000 1.224 402 A CA -0.581 51.311 52.037 -0.241 0.000 0.821 402 A CB 0.498 19.500 19.000 0.002 0.000 1.172 402 A HN 0.786 nan 8.150 nan 0.000 0.494 403 L N 1.016 122.233 121.223 -0.010 0.000 2.408 403 L HA 0.814 5.154 4.340 -0.000 0.000 0.268 403 L C -0.307 176.652 176.870 0.149 0.000 0.986 403 L CA -0.166 54.703 54.840 0.049 0.000 0.820 403 L CB 1.780 43.940 42.059 0.168 0.000 1.303 403 L HN 0.674 nan 8.230 nan 0.000 0.411 404 D N 2.892 123.423 120.400 0.218 0.000 3.082 404 D HA -0.230 4.410 4.640 -0.000 0.000 0.234 404 D C -1.093 175.303 176.300 0.160 0.000 1.159 404 D CA 0.900 55.039 54.000 0.231 0.000 0.875 404 D CB -0.621 40.321 40.800 0.236 0.000 0.946 404 D HN 0.948 nan 8.370 nan 0.000 0.411 405 N N 3.256 122.035 118.700 0.131 0.000 2.804 405 N HA 0.083 4.823 4.740 -0.000 0.000 0.251 405 N C -0.368 175.169 175.510 0.045 0.000 1.250 405 N CA -0.752 52.352 53.050 0.091 0.000 0.820 405 N CB 0.909 39.435 38.487 0.065 0.000 1.156 405 N HN 0.176 nan 8.380 nan 0.000 0.512 406 Q N 1.628 121.467 119.800 0.064 0.000 2.247 406 Q HA 0.032 4.372 4.340 -0.000 0.000 0.288 406 Q C 0.643 176.540 176.000 -0.172 0.000 1.079 406 Q CA 0.652 56.448 55.803 -0.012 0.000 0.932 406 Q CB 0.315 29.100 28.738 0.079 0.000 1.133 406 Q HN 0.583 nan 8.270 nan 0.000 0.377 407 N N -0.610 118.008 118.700 -0.136 0.000 2.940 407 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 407 N C -0.278 175.152 175.510 -0.134 0.000 1.042 407 N CA 0.254 53.198 53.050 -0.177 0.000 1.014 407 N CB -0.851 37.444 38.487 -0.321 0.000 0.981 407 N HN 0.457 nan 8.380 nan 0.000 0.565 408 L N 3.417 124.583 121.223 -0.095 0.000 2.597 408 L HA 0.055 4.394 4.340 -0.000 0.000 0.271 408 L C 1.522 178.338 176.870 -0.090 0.000 1.157 408 L CA 0.868 55.660 54.840 -0.079 0.000 0.928 408 L CB 0.263 42.305 42.059 -0.027 0.000 1.216 408 L HN 0.076 nan 8.230 nan 0.000 0.481 409 R N 2.552 122.978 120.500 -0.123 0.000 2.142 409 R HA 0.122 4.462 4.340 -0.000 0.000 0.204 409 R C -0.100 176.105 176.300 -0.159 0.000 1.059 409 R CA 0.351 56.373 56.100 -0.129 0.000 1.055 409 R CB 0.325 30.539 30.300 -0.142 0.000 0.976 409 R HN 0.791 nan 8.270 nan 0.000 0.483 410 Q N 0.689 120.362 119.800 -0.211 0.000 2.337 410 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 410 Q C 0.106 175.886 176.000 -0.367 0.000 1.043 410 Q CA -0.422 55.214 55.803 -0.279 0.000 0.794 410 Q CB 2.029 30.578 28.738 -0.315 0.000 1.281 410 Q HN -0.000 nan 8.270 nan 0.000 0.446 411 L N 1.332 122.329 121.223 -0.377 0.000 1.932 411 L HA 0.235 4.575 4.340 -0.000 0.000 0.213 411 L C 0.727 177.054 176.870 -0.905 0.000 1.108 411 L CA 0.748 55.334 54.840 -0.423 0.000 0.778 411 L CB -0.053 42.024 42.059 0.030 0.000 0.891 411 L HN 0.608 nan 8.230 nan 0.000 0.436 412 W N -0.636 119.866 121.300 -1.330 0.000 2.902 412 W HA 0.167 4.827 4.660 -0.000 0.000 0.346 412 W C -0.731 175.061 176.519 -1.212 0.000 1.139 412 W CA -0.780 55.791 57.345 -1.290 0.000 1.139 412 W CB 1.182 29.766 29.460 -1.461 0.000 1.439 412 W HN 0.066 nan 8.180 nan 0.000 0.558 413 D N 0.980 121.131 120.400 -0.415 0.000 2.489 413 D HA 0.008 4.648 4.640 -0.000 0.000 0.237 413 D C 0.906 177.196 176.300 -0.016 0.000 1.212 413 D CA 0.078 53.945 54.000 -0.222 0.000 1.058 413 D CB -0.238 40.508 40.800 -0.091 0.000 1.098 413 D HN 0.273 nan 8.370 nan 0.000 0.509 414 W N 1.670 123.020 121.300 0.082 0.000 2.387 414 W HA -0.235 4.426 4.660 0.000 0.000 0.272 414 W C 2.580 179.137 176.519 0.063 0.000 1.224 414 W CA 0.570 57.967 57.345 0.086 0.000 1.210 414 W CB -0.045 29.443 29.460 0.046 0.000 1.125 414 W HN 0.422 nan 8.180 nan 0.000 0.572 415 S N 0.339 116.189 115.700 0.251 0.000 2.428 415 S HA -0.086 4.384 4.470 -0.000 0.000 0.230 415 S C 1.188 175.867 174.600 0.132 0.000 1.014 415 S CA 0.801 59.092 58.200 0.151 0.000 0.957 415 S CB -0.170 63.082 63.200 0.086 0.000 0.784 415 S HN 0.243 nan 8.310 nan 0.000 0.499 416 K N 0.300 120.791 120.400 0.152 0.000 2.934 416 K HA 0.373 4.693 4.320 -0.000 0.000 0.210 416 K C -0.874 175.848 176.600 0.204 0.000 1.122 416 K CA -0.191 56.174 56.287 0.130 0.000 1.033 416 K CB 0.607 33.161 32.500 0.091 0.000 0.779 416 K HN 0.536 nan 8.250 nan 0.000 0.459 417 H N -0.704 118.444 119.070 0.131 0.000 3.029 417 H HA 0.337 4.893 4.556 -0.000 0.000 0.358 417 H C -1.662 173.753 175.328 0.144 0.000 1.129 417 H CA -0.763 55.360 56.048 0.126 0.000 1.230 417 H CB 1.115 30.960 29.762 0.139 0.000 1.827 417 H HN -0.098 nan 8.280 nan 0.000 0.530 418 N N 4.271 122.821 118.700 -0.250 0.000 2.483 418 N HA 0.269 5.009 4.740 -0.000 0.000 0.267 418 N C -1.579 173.791 175.510 -0.233 0.000 0.998 418 N CA -0.430 52.529 53.050 -0.151 0.000 0.918 418 N CB 1.259 39.654 38.487 -0.152 0.000 1.215 418 N HN 0.620 nan 8.380 nan 0.000 0.500 419 L N 1.955 123.131 121.223 -0.077 0.000 2.341 419 L HA 0.744 5.083 4.340 -0.000 0.000 0.267 419 L C -0.945 175.830 176.870 -0.157 0.000 1.009 419 L CA -0.346 54.404 54.840 -0.150 0.000 0.819 419 L CB 2.054 43.998 42.059 -0.192 0.000 1.323 419 L HN 0.314 nan 8.230 nan 0.000 0.425 420 T N 4.665 119.129 114.554 -0.150 0.000 2.937 420 T HA 0.485 4.835 4.350 -0.000 0.000 0.297 420 T C -0.484 174.160 174.700 -0.095 0.000 0.991 420 T CA -0.097 61.931 62.100 -0.119 0.000 0.990 420 T CB 1.301 70.110 68.868 -0.097 0.000 0.991 420 T HN 0.392 nan 8.240 nan 0.000 0.440 421 I N 3.909 124.433 120.570 -0.076 0.000 2.316 421 I HA 0.151 4.321 4.170 -0.000 0.000 0.286 421 I C 2.003 178.109 176.117 -0.017 0.000 1.107 421 I CA -0.243 61.039 61.300 -0.030 0.000 1.219 421 I CB 0.714 38.714 38.000 0.001 0.000 1.455 421 I HN 0.874 nan 8.210 nan 0.000 0.498 422 T N 2.335 116.876 114.554 -0.021 0.000 2.624 422 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 422 T C 0.720 175.417 174.700 -0.005 0.000 1.041 422 T CA 1.352 63.441 62.100 -0.018 0.000 1.159 422 T CB -0.312 68.543 68.868 -0.022 0.000 0.863 422 T HN 0.613 nan 8.240 nan 0.000 0.434 423 Q N -0.049 119.756 119.800 0.009 0.000 2.587 423 Q HA 0.609 4.949 4.340 -0.000 0.000 0.293 423 Q C 0.030 176.058 176.000 0.047 0.000 1.083 423 Q CA -1.001 54.814 55.803 0.020 0.000 0.792 423 Q CB 1.706 30.451 28.738 0.011 0.000 1.484 423 Q HN 0.769 nan 8.270 nan 0.000 0.446 424 G N 0.540 109.369 108.800 0.049 0.000 2.707 424 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 424 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 424 G C -1.335 173.627 174.900 0.104 0.000 1.315 424 G CA -0.343 44.804 45.100 0.078 0.000 0.832 424 G HN 0.913 nan 8.290 nan 0.000 0.573 425 K N -0.908 119.579 120.400 0.144 0.000 2.295 425 K HA 0.861 5.181 4.320 -0.000 0.000 0.239 425 K C -0.495 176.326 176.600 0.368 0.000 0.991 425 K CA -1.193 55.221 56.287 0.212 0.000 0.845 425 K CB 1.811 34.405 32.500 0.157 0.000 1.197 425 K HN 0.441 nan 8.250 nan 0.000 0.441 426 L N 1.499 122.906 121.223 0.306 0.000 2.312 426 L HA 0.443 4.783 4.340 -0.000 0.000 0.281 426 L C -0.674 176.271 176.870 0.126 0.000 1.070 426 L CA -0.419 54.555 54.840 0.223 0.000 0.805 426 L CB 0.382 42.570 42.059 0.216 0.000 1.174 426 L HN 0.599 nan 8.230 nan 0.000 0.434 427 F N 3.783 123.461 119.950 -0.453 0.000 2.500 427 F HA 0.610 5.137 4.527 -0.000 0.000 0.349 427 F C -1.389 173.928 175.800 -0.806 0.000 1.127 427 F CA -0.753 56.813 58.000 -0.724 0.000 0.998 427 F CB 0.641 38.766 39.000 -1.458 0.000 1.237 427 F HN 0.166 nan 8.300 nan 0.000 0.439 428 F N 5.028 124.541 119.950 -0.728 0.000 2.477 428 F HA 0.509 5.036 4.527 -0.000 0.000 0.335 428 F C -0.581 174.722 175.800 -0.828 0.000 1.130 428 F CA -0.626 56.993 58.000 -0.635 0.000 0.948 428 F CB 1.474 40.285 39.000 -0.316 0.000 1.154 428 F HN 0.448 nan 8.300 nan 0.000 0.439 429 H N 1.452 120.131 119.070 -0.652 0.000 3.029 429 H HA 0.311 4.867 4.556 -0.000 0.000 0.358 429 H C -1.111 174.041 175.328 -0.293 0.000 1.129 429 H CA -1.158 54.515 56.048 -0.625 0.000 1.230 429 H CB 1.124 30.318 29.762 -0.946 0.000 1.827 429 H HN 0.641 nan 8.280 nan 0.000 0.530 430 Y N 1.012 121.304 120.300 -0.013 0.000 3.305 430 Y HA -0.271 4.279 4.550 -0.000 0.000 0.209 430 Y C -0.398 175.509 175.900 0.011 0.000 1.354 430 Y CA -0.178 57.933 58.100 0.018 0.000 1.392 430 Y CB -0.963 37.532 38.460 0.058 0.000 1.446 430 Y HN 0.600 nan 8.280 nan 0.000 0.553 431 N N 1.072 119.854 118.700 0.136 0.000 2.976 431 N HA 0.160 4.900 4.740 -0.000 0.000 0.255 431 N C -2.037 173.495 175.510 0.036 0.000 1.312 431 N CA -1.288 51.804 53.050 0.070 0.000 0.897 431 N CB 1.174 39.686 38.487 0.042 0.000 1.184 431 N HN 0.158 nan 8.380 nan 0.000 0.497 432 P HA -0.084 nan 4.420 nan 0.000 0.219 432 P C 0.734 178.049 177.300 0.025 0.000 1.146 432 P CA 1.359 64.482 63.100 0.039 0.000 0.808 432 P CB 0.508 32.228 31.700 0.034 0.000 0.779 433 K N -1.568 118.832 120.400 0.001 0.000 2.374 433 K HA 0.201 4.521 4.320 -0.000 0.000 0.202 433 K C 0.363 176.942 176.600 -0.035 0.000 1.040 433 K CA -0.267 56.013 56.287 -0.011 0.000 1.085 433 K CB 0.296 32.778 32.500 -0.030 0.000 0.873 433 K HN 0.089 nan 8.250 nan 0.000 0.539 434 L N 2.649 123.842 121.223 -0.051 0.000 2.462 434 L HA 0.065 4.405 4.340 -0.000 0.000 0.283 434 L C -0.165 176.651 176.870 -0.091 0.000 1.166 434 L CA -0.102 54.682 54.840 -0.094 0.000 0.964 434 L CB -0.089 41.889 42.059 -0.135 0.000 1.294 434 L HN 0.268 nan 8.230 nan 0.000 0.449 435 c N 4.149 122.709 118.600 -0.067 0.000 2.563 435 c HA -0.089 4.481 4.570 -0.000 0.000 0.411 435 c C 2.064 176.105 174.090 -0.081 0.000 1.386 435 c CA -0.131 56.168 56.329 -0.049 0.000 1.703 435 c CB -0.069 42.405 42.510 -0.059 0.000 2.596 435 c HN 0.869 nan 8.230 nan 0.000 0.605 436 L N 4.056 125.246 121.223 -0.054 0.000 2.083 436 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 436 L C 2.626 179.507 176.870 0.019 0.000 1.083 436 L CA 2.036 56.851 54.840 -0.043 0.000 0.752 436 L CB -0.199 41.883 42.059 0.039 0.000 0.899 436 L HN 0.997 nan 8.230 nan 0.000 0.433 437 S N -0.823 114.864 115.700 -0.022 0.000 2.380 437 S HA -0.250 4.220 4.470 -0.000 0.000 0.229 437 S C 1.747 176.371 174.600 0.041 0.000 1.043 437 S CA 1.383 59.585 58.200 0.003 0.000 1.038 437 S CB -0.497 62.640 63.200 -0.105 0.000 0.872 437 S HN 0.432 nan 8.310 nan 0.000 0.456 438 E N 1.270 121.479 120.200 0.015 0.000 2.204 438 E HA 0.049 4.398 4.350 -0.000 0.000 0.195 438 E C 2.034 178.700 176.600 0.111 0.000 0.990 438 E CA 0.651 57.121 56.400 0.116 0.000 0.821 438 E CB -0.451 29.274 29.700 0.041 0.000 0.750 438 E HN 0.634 nan 8.360 nan 0.000 0.477 439 I N 0.806 121.295 120.570 -0.136 0.000 2.163 439 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 439 I C 2.265 178.263 176.117 -0.197 0.000 1.081 439 I CA 1.080 62.185 61.300 -0.325 0.000 1.353 439 I CB -0.386 37.227 38.000 -0.646 0.000 1.054 439 I HN 0.162 nan 8.210 nan 0.000 0.407 440 H N 0.969 119.993 119.070 -0.078 0.000 2.518 440 H HA -0.094 4.462 4.556 -0.000 0.000 0.289 440 H C 2.021 177.278 175.328 -0.118 0.000 1.051 440 H CA 0.939 56.944 56.048 -0.072 0.000 1.280 440 H CB 0.009 29.733 29.762 -0.062 0.000 1.380 440 H HN 0.388 nan 8.280 nan 0.000 0.566 441 K N 0.196 120.562 120.400 -0.056 0.000 2.044 441 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 441 K C 2.291 178.484 176.600 -0.678 0.000 1.049 441 K CA 0.408 56.531 56.287 -0.274 0.000 0.945 441 K CB 0.060 32.467 32.500 -0.154 0.000 0.724 441 K HN 0.124 nan 8.250 nan 0.000 0.440 442 M N 1.523 120.720 119.600 -0.671 0.000 2.082 442 M HA -0.274 4.206 4.480 -0.000 0.000 0.258 442 M C 1.780 177.836 176.300 -0.407 0.000 1.071 442 M CA 1.815 56.665 55.300 -0.751 0.000 1.103 442 M CB -0.161 32.436 32.600 -0.006 0.000 1.307 442 M HN 0.125 nan 8.290 nan 0.000 0.409 443 E N -0.195 119.907 120.200 -0.164 0.000 2.217 443 E HA -0.362 3.988 4.350 -0.000 0.000 0.219 443 E C 1.797 178.314 176.600 -0.139 0.000 1.070 443 E CA 2.506 58.857 56.400 -0.081 0.000 0.889 443 E CB -0.232 29.462 29.700 -0.009 0.000 0.768 443 E HN 0.625 nan 8.360 nan 0.000 0.465 444 E N -0.101 119.980 120.200 -0.198 0.000 2.021 444 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 444 E C 2.004 178.465 176.600 -0.231 0.000 0.980 444 E CA 0.972 57.264 56.400 -0.180 0.000 0.803 444 E CB -0.025 29.582 29.700 -0.156 0.000 0.766 444 E HN 0.120 nan 8.360 nan 0.000 0.449 445 V N 0.709 120.402 119.914 -0.367 0.000 2.970 445 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 445 V C 1.979 177.896 176.094 -0.296 0.000 1.100 445 V CA 2.039 64.142 62.300 -0.329 0.000 1.122 445 V CB -0.396 31.193 31.823 -0.391 0.000 0.721 445 V HN 0.512 nan 8.190 nan 0.000 0.483 446 S N 0.221 115.722 115.700 -0.331 0.000 2.436 446 S HA 0.227 4.697 4.470 -0.000 0.000 0.228 446 S C 1.324 175.838 174.600 -0.144 0.000 1.014 446 S CA 0.723 58.786 58.200 -0.228 0.000 0.950 446 S CB -0.298 62.773 63.200 -0.215 0.000 0.784 446 S HN 1.995 nan 8.310 nan 0.000 0.504 447 G N -0.213 108.507 108.800 -0.134 0.000 3.129 447 G HA2 0.026 3.986 3.960 -0.000 0.000 0.385 447 G HA3 0.026 3.986 3.960 -0.000 0.000 0.385 447 G C 0.011 174.878 174.900 -0.056 0.000 1.046 447 G CA -0.050 44.999 45.100 -0.084 0.000 0.933 447 G HN 0.584 nan 8.290 nan 0.000 0.424 448 T N 1.996 116.525 114.554 -0.041 0.000 3.646 448 T HA 0.226 4.576 4.350 -0.000 0.000 0.213 448 T C 1.837 176.540 174.700 0.005 0.000 0.860 448 T CA 1.171 63.267 62.100 -0.006 0.000 1.045 448 T CB -0.293 68.583 68.868 0.013 0.000 1.057 448 T HN 1.451 nan 8.240 nan 0.000 0.340 449 K N 0.881 121.285 120.400 0.007 0.000 7.614 449 K HA -0.287 4.033 4.320 -0.000 0.000 0.367 449 K C 1.583 178.207 176.600 0.040 0.000 0.578 449 K CA 2.008 58.309 56.287 0.024 0.000 1.269 449 K CB -2.030 30.472 32.500 0.004 0.000 0.795 449 K HN 0.526 nan 8.250 nan 0.000 0.991 450 G N 1.042 109.858 108.800 0.026 0.000 3.332 450 G HA2 0.069 4.029 3.960 -0.000 0.000 0.242 450 G HA3 0.069 4.029 3.960 -0.000 0.000 0.242 450 G C 1.082 176.002 174.900 0.033 0.000 1.276 450 G CA 0.363 45.481 45.100 0.030 0.000 0.988 450 G HN 0.383 nan 8.290 nan 0.000 0.517 451 R N -1.067 119.459 120.500 0.042 0.000 2.223 451 R HA 0.228 4.568 4.340 -0.000 0.000 0.198 451 R C 1.535 177.874 176.300 0.064 0.000 0.984 451 R CA 0.243 56.370 56.100 0.045 0.000 1.018 451 R CB 0.024 30.353 30.300 0.049 0.000 0.945 451 R HN 0.296 nan 8.270 nan 0.000 0.479 452 Q N -0.128 119.722 119.800 0.084 0.000 2.306 452 Q HA 0.266 4.606 4.340 -0.000 0.000 0.175 452 Q C -0.228 175.829 176.000 0.094 0.000 1.107 452 Q CA 0.475 56.346 55.803 0.114 0.000 1.170 452 Q CB 0.480 29.293 28.738 0.125 0.000 1.376 452 Q HN 0.152 nan 8.270 nan 0.000 0.618 453 E N -1.511 118.756 120.200 0.112 0.000 1.616 453 E HA 0.217 4.567 4.350 -0.000 0.000 0.166 453 E C -1.300 175.361 176.600 0.101 0.000 1.791 453 E CA -0.890 55.563 56.400 0.090 0.000 1.091 453 E CB 0.678 30.423 29.700 0.075 0.000 1.718 453 E HN 0.346 nan 8.360 nan 0.000 0.657 454 R N 1.371 121.928 120.500 0.096 0.000 2.389 454 R HA 0.150 4.490 4.340 -0.000 0.000 0.295 454 R C -0.663 175.722 176.300 0.142 0.000 1.075 454 R CA 0.151 56.309 56.100 0.098 0.000 1.005 454 R CB 0.054 30.400 30.300 0.077 0.000 0.987 454 R HN 0.477 nan 8.270 nan 0.000 0.452 455 N N 2.952 121.735 118.700 0.137 0.000 2.727 455 N HA -0.191 4.548 4.740 -0.000 0.000 0.249 455 N C -1.025 174.681 175.510 0.327 0.000 1.048 455 N CA 1.532 54.705 53.050 0.205 0.000 0.714 455 N CB -0.690 37.927 38.487 0.218 0.000 0.959 455 N HN 0.704 nan 8.380 nan 0.000 0.544 456 D N -0.713 119.838 120.400 0.252 0.000 2.422 456 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 456 D C 0.505 176.860 176.300 0.092 0.000 1.047 456 D CA 0.369 54.564 54.000 0.325 0.000 0.885 456 D CB 0.771 41.797 40.800 0.377 0.000 1.035 456 D HN 0.253 nan 8.370 nan 0.000 0.502 457 I N 1.922 122.502 120.570 0.016 0.000 2.437 457 I HA 0.311 4.481 4.170 -0.000 0.000 0.279 457 I C -0.189 175.791 176.117 -0.228 0.000 1.028 457 I CA -1.030 60.213 61.300 -0.094 0.000 1.142 457 I CB 0.911 38.891 38.000 -0.033 0.000 1.266 457 I HN -0.213 nan 8.210 nan 0.000 0.461 458 A N 6.701 129.184 122.820 -0.561 0.000 2.515 458 A HA 0.256 4.576 4.320 -0.000 0.000 0.263 458 A C 1.141 178.553 177.584 -0.287 0.000 1.096 458 A CA 0.039 51.701 52.037 -0.626 0.000 0.769 458 A CB 0.166 18.447 19.000 -1.199 0.000 1.040 458 A HN 0.738 nan 8.150 nan 0.000 0.505 459 L N 2.640 123.771 121.223 -0.154 0.000 2.023 459 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 459 L C 2.033 178.862 176.870 -0.068 0.000 1.073 459 L CA 1.590 56.386 54.840 -0.073 0.000 0.745 459 L CB -0.340 41.702 42.059 -0.029 0.000 0.900 459 L HN 0.653 nan 8.230 nan 0.000 0.435 460 K N -0.451 119.916 120.400 -0.055 0.000 2.476 460 K HA 0.086 4.405 4.320 -0.000 0.000 0.196 460 K C 0.493 177.098 176.600 0.008 0.000 1.025 460 K CA 0.669 56.943 56.287 -0.021 0.000 1.138 460 K CB 0.017 32.519 32.500 0.003 0.000 0.860 460 K HN 0.419 nan 8.250 nan 0.000 0.515 461 T N -2.732 111.813 114.554 -0.016 0.000 3.516 461 T HA 0.245 4.595 4.350 -0.000 0.000 0.300 461 T C -0.346 174.364 174.700 0.017 0.000 0.995 461 T CA -0.805 61.334 62.100 0.065 0.000 0.982 461 T CB -0.031 68.984 68.868 0.244 0.000 1.199 461 T HN -0.159 nan 8.240 nan 0.000 0.481 462 N N 0.747 119.425 118.700 -0.037 0.000 2.295 462 N HA 0.536 5.276 4.740 -0.000 0.000 0.293 462 N C 0.997 176.491 175.510 -0.026 0.000 1.040 462 N CA 0.166 53.183 53.050 -0.055 0.000 0.840 462 N CB 1.754 40.160 38.487 -0.135 0.000 1.468 462 N HN 0.409 nan 8.380 nan 0.000 0.478 463 G N 1.565 110.358 108.800 -0.011 0.000 2.225 463 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.272 463 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.272 463 G C 0.504 175.460 174.900 0.092 0.000 0.996 463 G CA 1.132 46.251 45.100 0.031 0.000 0.710 463 G HN 0.794 nan 8.290 nan 0.000 0.522 464 D N -0.576 119.864 120.400 0.067 0.000 2.368 464 D HA 0.026 4.666 4.640 -0.000 0.000 0.250 464 D C 1.108 177.510 176.300 0.170 0.000 1.142 464 D CA 0.782 54.835 54.000 0.087 0.000 0.925 464 D CB 0.048 40.879 40.800 0.052 0.000 0.896 464 D HN 0.515 nan 8.370 nan 0.000 0.525 465 Q N -0.667 119.234 119.800 0.168 0.000 2.330 465 Q HA 0.489 4.829 4.340 -0.000 0.000 0.290 465 Q C -1.094 174.986 176.000 0.133 0.000 0.805 465 Q CA -0.249 55.642 55.803 0.146 0.000 1.054 465 Q CB 1.445 30.233 28.738 0.084 0.000 1.367 465 Q HN 0.315 nan 8.270 nan 0.000 0.387 466 A N 0.253 123.194 122.820 0.200 0.000 2.587 466 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 466 A C -0.920 176.796 177.584 0.221 0.000 1.087 466 A CA -0.495 51.636 52.037 0.156 0.000 0.692 466 A CB 2.064 21.119 19.000 0.092 0.000 1.291 466 A HN 0.050 nan 8.150 nan 0.000 0.407 467 S N -0.907 114.875 115.700 0.138 0.000 2.562 467 S HA 0.675 5.145 4.470 -0.000 0.000 0.275 467 S C 0.266 174.924 174.600 0.097 0.000 1.281 467 S CA 0.254 58.531 58.200 0.129 0.000 1.045 467 S CB -0.108 63.138 63.200 0.077 0.000 0.962 467 S HN 1.375 nan 8.310 nan 0.000 0.503 468 c N 1.720 120.388 118.600 0.112 0.000 3.919 468 c HA 0.540 5.110 4.570 -0.000 0.000 0.175 468 c C 0.779 174.880 174.090 0.019 0.000 4.161 468 c CA -0.367 55.962 56.329 -0.000 0.000 1.299 468 c CB -0.798 41.612 42.510 -0.166 0.000 3.855 468 c HN 0.779 nan 8.230 nan 0.000 0.468 469 E N 1.482 121.677 120.200 -0.008 0.000 3.112 469 E HA -0.321 4.029 4.350 -0.000 0.000 0.272 469 E C 0.635 177.253 176.600 0.030 0.000 1.042 469 E CA 1.331 57.778 56.400 0.078 0.000 0.802 469 E CB -0.925 28.932 29.700 0.261 0.000 1.404 469 E HN 0.610 nan 8.360 nan 0.000 0.460 470 N N 0.457 119.145 118.700 -0.019 0.000 1.194 470 N HA -0.317 4.423 4.740 -0.000 0.000 0.131 470 N C -0.224 175.280 175.510 -0.010 0.000 0.688 470 N CA 2.345 55.380 53.050 -0.024 0.000 0.927 470 N CB -0.836 37.642 38.487 -0.016 0.000 1.224 470 N HN 0.465 nan 8.380 nan 0.000 0.529 471 E N 0.238 120.444 120.200 0.010 0.000 2.414 471 E HA -0.230 4.120 4.350 -0.000 0.000 0.173 471 E C -0.663 175.919 176.600 -0.030 0.000 1.551 471 E CA 0.656 57.072 56.400 0.027 0.000 0.661 471 E CB -1.440 28.313 29.700 0.088 0.000 1.108 471 E HN 0.371 nan 8.360 nan 0.000 0.365 472 L N -0.181 121.019 121.223 -0.038 0.000 2.416 472 L HA 0.410 4.750 4.340 -0.000 0.000 0.272 472 L C 0.034 176.864 176.870 -0.067 0.000 1.161 472 L CA -0.181 54.612 54.840 -0.079 0.000 0.845 472 L CB 0.064 42.077 42.059 -0.077 0.000 1.119 472 L HN 0.117 nan 8.230 nan 0.000 0.464 473 L N 1.127 122.275 121.223 -0.126 0.000 2.344 473 L HA 0.750 5.089 4.340 -0.000 0.000 0.272 473 L C 0.223 176.966 176.870 -0.212 0.000 1.035 473 L CA -0.674 54.102 54.840 -0.108 0.000 0.807 473 L CB 0.470 42.483 42.059 -0.077 0.000 1.237 473 L HN 0.575 nan 8.230 nan 0.000 0.442 474 K N 0.747 121.063 120.400 -0.141 0.000 2.211 474 K HA 0.590 4.910 4.320 -0.000 0.000 0.237 474 K C -1.191 175.301 176.600 -0.181 0.000 1.002 474 K CA -0.453 55.735 56.287 -0.164 0.000 0.885 474 K CB 1.182 33.667 32.500 -0.026 0.000 1.136 474 K HN 0.306 nan 8.250 nan 0.000 0.448 475 F N 0.900 120.899 119.950 0.082 0.000 2.411 475 F HA 0.043 4.570 4.527 -0.000 0.000 0.355 475 F C 1.729 177.546 175.800 0.029 0.000 1.117 475 F CA -0.096 57.964 58.000 0.101 0.000 1.139 475 F CB 1.623 40.676 39.000 0.089 0.000 1.120 475 F HN 0.651 nan 8.300 nan 0.000 0.493 476 S N 4.471 120.255 115.700 0.140 0.000 2.383 476 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 476 S C -0.266 174.408 174.600 0.124 0.000 1.026 476 S CA 1.055 59.216 58.200 -0.065 0.000 0.981 476 S CB -0.044 62.769 63.200 -0.645 0.000 0.818 476 S HN 0.583 nan 8.310 nan 0.000 0.472 477 Y N -0.673 119.634 120.300 0.011 0.000 2.552 477 Y HA 0.594 5.144 4.550 -0.000 0.000 0.337 477 Y C -1.734 174.151 175.900 -0.026 0.000 1.094 477 Y CA -1.441 56.655 58.100 -0.007 0.000 1.028 477 Y CB 1.142 39.581 38.460 -0.035 0.000 1.321 477 Y HN 0.052 nan 8.280 nan 0.000 0.456 478 I N 6.711 126.878 120.570 -0.671 0.000 2.649 478 I HA 0.348 4.518 4.170 -0.000 0.000 0.275 478 I C -0.792 174.872 176.117 -0.756 0.000 1.153 478 I CA -0.553 60.362 61.300 -0.642 0.000 1.069 478 I CB 1.159 38.965 38.000 -0.324 0.000 1.227 478 I HN 0.567 nan 8.210 nan 0.000 0.505 479 R N 3.421 123.353 120.500 -0.945 0.000 2.357 479 R HA 0.494 4.834 4.340 -0.000 0.000 0.296 479 R C -0.508 175.631 176.300 -0.268 0.000 1.052 479 R CA 0.077 55.889 56.100 -0.480 0.000 0.988 479 R CB 1.551 31.707 30.300 -0.240 0.000 1.025 479 R HN 0.414 nan 8.270 nan 0.000 0.469 480 T N 1.772 116.233 114.554 -0.154 0.000 2.856 480 T HA 0.383 4.733 4.350 -0.000 0.000 0.283 480 T C -0.598 174.075 174.700 -0.045 0.000 1.008 480 T CA -0.348 61.687 62.100 -0.108 0.000 0.997 480 T CB 1.686 70.509 68.868 -0.074 0.000 0.992 480 T HN 0.669 nan 8.240 nan 0.000 0.454 481 S N 1.778 117.453 115.700 -0.042 0.000 3.362 481 S HA 0.669 5.139 4.470 -0.000 0.000 0.235 481 S C 0.048 174.720 174.600 0.120 0.000 1.026 481 S CA -0.367 57.853 58.200 0.033 0.000 1.257 481 S CB 0.268 63.452 63.200 -0.025 0.000 1.187 481 S HN 0.791 nan 8.310 nan 0.000 0.660 482 F N 0.321 120.256 119.950 -0.025 0.000 2.880 482 F HA 0.479 5.006 4.527 -0.000 0.000 0.346 482 F C 0.561 176.361 175.800 -0.000 0.000 1.054 482 F CA 0.449 58.456 58.000 0.012 0.000 1.151 482 F CB -0.035 38.988 39.000 0.037 0.000 1.066 482 F HN 0.485 nan 8.300 nan 0.000 0.566 483 D N 0.214 120.089 120.400 -0.876 0.000 2.489 483 D HA 0.175 4.815 4.640 -0.000 0.000 0.231 483 D C 0.193 176.214 176.300 -0.466 0.000 1.114 483 D CA -0.141 53.382 54.000 -0.795 0.000 0.842 483 D CB 0.347 40.539 40.800 -1.014 0.000 1.133 483 D HN 0.376 nan 8.370 nan 0.000 0.506 484 K N 0.743 120.912 120.400 -0.385 0.000 2.466 484 K HA 0.649 4.968 4.320 -0.000 0.000 0.260 484 K C -0.957 175.463 176.600 -0.300 0.000 1.011 484 K CA -1.189 54.892 56.287 -0.344 0.000 0.871 484 K CB 2.434 34.750 32.500 -0.307 0.000 1.404 484 K HN 0.127 nan 8.250 nan 0.000 0.450 485 I N -1.455 118.920 120.570 -0.326 0.000 2.894 485 I HA 0.577 4.747 4.170 -0.000 0.000 0.302 485 I C -2.022 173.922 176.117 -0.288 0.000 1.188 485 I CA -1.294 59.836 61.300 -0.284 0.000 1.014 485 I CB 2.215 40.042 38.000 -0.289 0.000 1.242 485 I HN 0.640 nan 8.210 nan 0.000 0.430 486 L N 5.514 126.580 121.223 -0.263 0.000 2.385 486 L HA 0.732 5.072 4.340 -0.000 0.000 0.273 486 L C -1.702 175.030 176.870 -0.231 0.000 0.990 486 L CA -0.324 54.386 54.840 -0.216 0.000 0.821 486 L CB 1.786 43.767 42.059 -0.130 0.000 1.279 486 L HN 0.687 nan 8.230 nan 0.000 0.412 487 L N 4.955 126.111 121.223 -0.112 0.000 2.388 487 L HA 0.709 5.049 4.340 -0.000 0.000 0.264 487 L C -0.543 176.366 176.870 0.065 0.000 0.998 487 L CA -0.860 53.934 54.840 -0.076 0.000 0.817 487 L CB 2.093 44.094 42.059 -0.097 0.000 1.338 487 L HN 0.548 nan 8.230 nan 0.000 0.414 488 R N 1.571 122.146 120.500 0.125 0.000 2.807 488 R HA 0.662 5.002 4.340 -0.000 0.000 0.276 488 R C -1.737 174.732 176.300 0.283 0.000 0.979 488 R CA -0.693 55.400 56.100 -0.012 0.000 0.928 488 R CB 2.590 32.871 30.300 -0.032 0.000 1.191 488 R HN 0.718 nan 8.270 nan 0.000 0.471 489 W N -0.270 121.117 121.300 0.145 0.000 3.213 489 W HA 0.385 5.045 4.660 -0.000 0.000 0.318 489 W C -0.551 175.974 176.519 0.010 0.000 1.248 489 W CA -1.054 56.327 57.345 0.060 0.000 1.187 489 W CB 0.214 29.690 29.460 0.026 0.000 1.403 489 W HN 0.460 nan 8.180 nan 0.000 0.556 490 E N 1.531 121.864 120.200 0.221 0.000 2.485 490 E HA -0.009 4.340 4.350 -0.000 0.000 0.266 490 E C -1.997 174.770 176.600 0.278 0.000 1.090 490 E CA -0.991 55.587 56.400 0.296 0.000 0.987 490 E CB -0.182 29.648 29.700 0.217 0.000 0.974 490 E HN 0.098 nan 8.360 nan 0.000 0.455 491 P HA 0.091 nan 4.420 nan 0.000 0.275 491 P C -1.174 176.124 177.300 -0.003 0.000 1.270 491 P CA 0.088 63.187 63.100 -0.002 0.000 0.791 491 P CB 0.287 31.988 31.700 0.003 0.000 1.089 492 Y N -1.651 118.333 120.300 -0.527 0.000 2.641 492 Y HA 0.568 5.118 4.550 -0.000 0.000 0.333 492 Y C -2.162 173.326 175.900 -0.686 0.000 1.174 492 Y CA -0.626 57.243 58.100 -0.386 0.000 1.057 492 Y CB 1.284 39.619 38.460 -0.208 0.000 1.322 492 Y HN 0.429 nan 8.280 nan 0.000 0.457 493 W N 4.980 125.756 121.300 -0.873 0.000 4.117 493 W HA 0.449 5.109 4.660 -0.000 0.000 0.297 493 W C -2.872 173.254 176.519 -0.655 0.000 1.208 493 W CA -1.104 55.935 57.345 -0.510 0.000 1.327 493 W CB 1.289 30.589 29.460 -0.266 0.000 1.178 493 W HN 0.414 nan 8.180 nan 0.000 0.457 494 P HA 0.547 nan 4.420 nan 0.000 0.285 494 P C -1.954 175.378 177.300 0.054 0.000 1.285 494 P CA -0.879 62.212 63.100 -0.015 0.000 0.854 494 P CB 0.731 32.509 31.700 0.130 0.000 1.180 495 P HA -0.313 nan 4.420 nan 0.000 0.260 495 P C 0.173 177.466 177.300 -0.010 0.000 0.772 495 P CA 2.389 65.524 63.100 0.058 0.000 1.039 495 P CB -0.494 31.286 31.700 0.133 0.000 0.829 496 D N -5.072 115.330 120.400 0.004 0.000 3.137 496 D HA 0.132 4.772 4.640 -0.000 0.000 0.308 496 D C -1.260 174.664 176.300 -0.627 0.000 1.531 496 D CA -0.214 53.564 54.000 -0.369 0.000 0.899 496 D CB -0.326 40.039 40.800 -0.725 0.000 1.670 496 D HN 0.050 nan 8.370 nan 0.000 0.425 497 F N 0.919 120.954 119.950 0.142 0.000 2.659 497 F HA 0.665 5.191 4.527 -0.000 0.000 0.342 497 F C 0.430 176.304 175.800 0.125 0.000 1.168 497 F CA -0.737 57.341 58.000 0.129 0.000 1.003 497 F CB 1.287 40.326 39.000 0.065 0.000 1.267 497 F HN -0.268 nan 8.300 nan 0.000 0.463 498 R N 1.139 121.799 120.500 0.267 0.000 3.034 498 R HA 0.565 4.905 4.340 -0.000 0.000 0.264 498 R C -1.810 174.543 176.300 0.088 0.000 1.030 498 R CA -1.227 54.967 56.100 0.157 0.000 0.903 498 R CB 1.641 32.037 30.300 0.161 0.000 1.414 498 R HN 0.599 nan 8.270 nan 0.000 0.429 499 D N -0.516 119.893 120.400 0.015 0.000 2.622 499 D HA 0.555 5.195 4.640 -0.000 0.000 0.255 499 D C -0.946 175.312 176.300 -0.069 0.000 1.246 499 D CA -0.637 53.349 54.000 -0.024 0.000 0.795 499 D CB 1.830 42.617 40.800 -0.022 0.000 1.369 499 D HN 0.119 nan 8.370 nan 0.000 0.425 500 L N 0.719 121.904 121.223 -0.064 0.000 2.319 500 L HA 0.777 5.117 4.340 -0.000 0.000 0.267 500 L C -1.218 175.561 176.870 -0.152 0.000 1.011 500 L CA -1.039 53.754 54.840 -0.079 0.000 0.818 500 L CB 2.045 44.162 42.059 0.096 0.000 1.316 500 L HN 0.391 nan 8.230 nan 0.000 0.432 501 L N 0.932 121.984 121.223 -0.285 0.000 2.973 501 L HA 0.592 4.932 4.340 -0.000 0.000 0.254 501 L C -1.141 175.271 176.870 -0.763 0.000 0.947 501 L CA -0.130 54.462 54.840 -0.414 0.000 1.064 501 L CB 1.156 43.027 42.059 -0.314 0.000 1.534 501 L HN 0.665 nan 8.230 nan 0.000 0.504 502 G N 2.396 110.736 108.800 -0.767 0.000 2.597 502 G HA2 0.806 4.766 3.960 -0.000 0.000 0.317 502 G HA3 0.806 4.766 3.960 -0.000 0.000 0.317 502 G C -1.751 172.537 174.900 -1.021 0.000 1.230 502 G CA -0.520 44.009 45.100 -0.952 0.000 0.996 502 G HN 0.310 nan 8.290 nan 0.000 0.490 503 F N 0.117 119.762 119.950 -0.508 0.000 2.617 503 F HA 0.438 4.965 4.527 -0.000 0.000 0.325 503 F C 0.274 175.915 175.800 -0.265 0.000 1.179 503 F CA -0.998 56.730 58.000 -0.454 0.000 0.965 503 F CB 1.882 40.398 39.000 -0.808 0.000 1.232 503 F HN 0.451 nan 8.300 nan 0.000 0.461 504 M N 3.346 122.992 119.600 0.076 0.000 2.423 504 M HA 0.860 5.340 4.480 -0.000 0.000 0.335 504 M C -1.233 175.118 176.300 0.085 0.000 1.177 504 M CA -0.423 54.916 55.300 0.066 0.000 1.038 504 M CB 2.566 35.202 32.600 0.060 0.000 1.641 504 M HN 0.671 nan 8.290 nan 0.000 0.455 505 L N -0.166 121.061 121.223 0.005 0.000 3.360 505 L HA 0.706 5.045 4.340 -0.000 0.000 0.224 505 L C -1.475 175.146 176.870 -0.416 0.000 1.813 505 L CA -0.618 54.233 54.840 0.018 0.000 1.790 505 L CB 1.907 44.063 42.059 0.161 0.000 1.808 505 L HN 0.764 nan 8.230 nan 0.000 0.542 506 F N -1.734 118.202 119.950 -0.024 0.000 2.715 506 F HA 0.449 4.976 4.527 -0.000 0.000 0.318 506 F C -0.413 175.423 175.800 0.060 0.000 1.141 506 F CA -0.222 57.760 58.000 -0.029 0.000 0.950 506 F CB 1.036 40.083 39.000 0.077 0.000 1.374 506 F HN 0.561 nan 8.300 nan 0.000 0.477 507 Y N -0.233 120.158 120.300 0.152 0.000 2.545 507 Y HA -0.342 4.208 4.550 -0.000 0.000 0.300 507 Y C 0.034 175.985 175.900 0.085 0.000 0.909 507 Y CA -0.349 57.809 58.100 0.097 0.000 1.256 507 Y CB -1.028 37.491 38.460 0.099 0.000 0.879 507 Y HN 0.688 nan 8.280 nan 0.000 0.711 508 K N 1.939 122.324 120.400 -0.026 0.000 2.397 508 K HA 0.020 4.340 4.320 -0.000 0.000 0.265 508 K C -0.456 175.846 176.600 -0.496 0.000 0.982 508 K CA 0.485 56.663 56.287 -0.181 0.000 0.931 508 K CB 0.245 32.824 32.500 0.131 0.000 0.943 508 K HN 0.692 nan 8.250 nan 0.000 0.501 509 E N 0.653 120.622 120.200 -0.385 0.000 2.392 509 E HA 0.177 4.527 4.350 -0.000 0.000 0.307 509 E C -0.845 175.681 176.600 -0.122 0.000 1.505 509 E CA -0.356 55.743 56.400 -0.500 0.000 1.716 509 E CB 0.501 29.690 29.700 -0.852 0.000 1.450 509 E HN 0.538 nan 8.360 nan 0.000 0.484 510 A N 2.793 125.602 122.820 -0.019 0.000 2.332 510 A HA 0.573 4.893 4.320 -0.000 0.000 0.300 510 A C -2.643 175.010 177.584 0.115 0.000 1.153 510 A CA -1.420 50.660 52.037 0.073 0.000 0.764 510 A CB 1.016 20.062 19.000 0.077 0.000 1.174 510 A HN 0.063 nan 8.150 nan 0.000 0.467 511 P HA 0.319 nan 4.420 nan 0.000 0.307 511 P C -1.173 176.189 177.300 0.103 0.000 1.412 511 P CA -0.463 62.707 63.100 0.118 0.000 0.985 511 P CB 0.878 32.614 31.700 0.060 0.000 1.098 512 Y N 2.019 122.336 120.300 0.028 0.000 2.734 512 Y HA 0.060 4.610 4.550 -0.000 0.000 0.353 512 Y C 1.466 177.350 175.900 -0.026 0.000 1.244 512 Y CA 0.470 58.570 58.100 0.001 0.000 1.950 512 Y CB -0.071 38.400 38.460 0.017 0.000 2.028 512 Y HN 0.329 nan 8.280 nan 0.000 0.421 513 Q N 1.428 121.136 119.800 -0.154 0.000 2.360 513 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 513 Q C 0.029 175.785 176.000 -0.407 0.000 0.915 513 Q CA 0.785 56.451 55.803 -0.229 0.000 0.943 513 Q CB 0.244 28.854 28.738 -0.213 0.000 1.064 513 Q HN 0.772 nan 8.270 nan 0.000 0.511 514 N N -2.406 115.955 118.700 -0.565 0.000 3.192 514 N HA 0.230 4.970 4.740 -0.000 0.000 0.177 514 N C -0.385 174.621 175.510 -0.839 0.000 1.460 514 N CA 0.420 53.126 53.050 -0.573 0.000 1.146 514 N CB 0.478 38.778 38.487 -0.313 0.000 1.095 514 N HN -0.066 nan 8.380 nan 0.000 0.559 515 V N -1.148 118.534 119.914 -0.386 0.000 3.164 515 V HA 0.789 4.909 4.120 -0.000 0.000 0.313 515 V C -0.228 175.995 176.094 0.215 0.000 1.188 515 V CA -0.650 61.633 62.300 -0.029 0.000 1.058 515 V CB 1.344 33.162 31.823 -0.008 0.000 1.110 515 V HN 0.667 nan 8.190 nan 0.000 0.453 516 T N -0.143 114.565 114.554 0.257 0.000 2.804 516 T HA 0.577 4.927 4.350 -0.000 0.000 0.290 516 T C -1.047 173.669 174.700 0.027 0.000 1.099 516 T CA -0.384 61.825 62.100 0.182 0.000 1.011 516 T CB 2.013 71.014 68.868 0.222 0.000 1.291 516 T HN 1.036 nan 8.240 nan 0.000 0.523 517 E N 0.354 120.564 120.200 0.017 0.000 2.405 517 E HA 0.605 4.955 4.350 -0.000 0.000 0.249 517 E C -0.675 175.816 176.600 -0.183 0.000 1.028 517 E CA -0.949 55.319 56.400 -0.219 0.000 0.897 517 E CB 0.276 29.848 29.700 -0.214 0.000 1.262 517 E HN 0.507 nan 8.360 nan 0.000 0.442 518 F N 0.750 120.698 119.950 -0.003 0.000 2.406 518 F HA -0.138 4.389 4.527 -0.000 0.000 0.388 518 F C 0.865 176.547 175.800 -0.197 0.000 0.948 518 F CA 1.048 59.001 58.000 -0.079 0.000 1.182 518 F CB -0.223 38.737 39.000 -0.067 0.000 0.890 518 F HN 0.536 nan 8.300 nan 0.000 0.570 519 D N 0.090 120.468 120.400 -0.036 0.000 4.113 519 D HA 0.486 5.126 4.640 -0.000 0.000 0.322 519 D C -0.992 175.225 176.300 -0.138 0.000 1.576 519 D CA -0.120 53.772 54.000 -0.180 0.000 0.977 519 D CB 1.586 42.267 40.800 -0.197 0.000 1.429 519 D HN 0.616 nan 8.370 nan 0.000 0.645 520 G N 1.055 109.762 108.800 -0.154 0.000 2.739 520 G HA2 0.450 4.410 3.960 -0.000 0.000 0.291 520 G HA3 0.450 4.410 3.960 -0.000 0.000 0.291 520 G C -0.407 174.421 174.900 -0.119 0.000 1.478 520 G CA -0.144 44.879 45.100 -0.129 0.000 1.062 520 G HN 0.271 nan 8.290 nan 0.000 0.532 521 Q N 0.925 120.668 119.800 -0.095 0.000 2.875 521 Q HA 0.221 4.561 4.340 -0.000 0.000 0.285 521 Q C 0.021 175.972 176.000 -0.082 0.000 1.123 521 Q CA -0.065 55.685 55.803 -0.088 0.000 0.476 521 Q CB 0.558 29.251 28.738 -0.074 0.000 4.981 521 Q HN 0.535 nan 8.270 nan 0.000 0.362 522 D N -0.686 119.672 120.400 -0.071 0.000 2.415 522 D HA 0.633 5.273 4.640 -0.000 0.000 0.265 522 D C -0.888 175.370 176.300 -0.069 0.000 1.206 522 D CA -0.170 53.789 54.000 -0.067 0.000 1.113 522 D CB 0.554 41.320 40.800 -0.058 0.000 1.192 522 D HN 0.489 nan 8.370 nan 0.000 0.586 523 A N -2.114 120.667 122.820 -0.064 0.000 2.586 523 A HA 0.505 4.825 4.320 -0.000 0.000 0.296 523 A C -0.002 177.548 177.584 -0.057 0.000 1.040 523 A CA 0.005 52.002 52.037 -0.066 0.000 0.701 523 A CB 0.049 19.000 19.000 -0.082 0.000 1.277 523 A HN 0.756 nan 8.150 nan 0.000 0.413 524 C N 0.511 119.779 119.300 -0.052 0.000 2.791 524 C HA 0.712 5.172 4.460 -0.000 0.000 0.270 524 C C 1.281 176.242 174.990 -0.048 0.000 1.257 524 C CA 1.408 60.399 59.018 -0.045 0.000 1.699 524 C CB -0.980 26.737 27.740 -0.038 0.000 1.904 524 C HN 1.652 nan 8.230 nan 0.000 0.603 525 G N -0.942 107.822 108.800 -0.060 0.000 3.003 525 G HA2 0.660 4.620 3.960 -0.000 0.000 0.243 525 G HA3 0.660 4.620 3.960 -0.000 0.000 0.243 525 G C -1.075 173.768 174.900 -0.095 0.000 1.176 525 G CA 0.292 45.351 45.100 -0.068 0.000 0.812 525 G HN 0.414 nan 8.290 nan 0.000 0.584 526 S N -1.383 114.248 115.700 -0.115 0.000 2.547 526 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 526 S C -0.106 174.373 174.600 -0.202 0.000 1.150 526 S CA -0.674 57.420 58.200 -0.176 0.000 0.850 526 S CB 2.132 65.211 63.200 -0.201 0.000 1.118 526 S HN 0.734 nan 8.310 nan 0.000 0.461 527 N N -0.589 117.941 118.700 -0.283 0.000 2.223 527 N HA 0.089 4.829 4.740 -0.000 0.000 0.309 527 N C 0.316 175.604 175.510 -0.370 0.000 0.844 527 N CA 0.063 52.951 53.050 -0.271 0.000 0.672 527 N CB 0.324 38.731 38.487 -0.133 0.000 2.157 527 N HN 0.403 nan 8.380 nan 0.000 0.984 528 S N -0.574 114.931 115.700 -0.325 0.000 2.397 528 S HA 0.397 4.867 4.470 -0.000 0.000 0.261 528 S C -1.308 173.086 174.600 -0.345 0.000 1.187 528 S CA -0.011 58.075 58.200 -0.190 0.000 1.023 528 S CB 0.691 63.855 63.200 -0.061 0.000 1.103 528 S HN 0.263 nan 8.310 nan 0.000 0.474 529 W N 2.388 123.682 121.300 -0.011 0.000 2.525 529 W HA 0.241 4.900 4.660 -0.000 0.000 0.294 529 W C -0.872 175.639 176.519 -0.013 0.000 1.044 529 W CA -0.150 57.188 57.345 -0.010 0.000 1.169 529 W CB -0.003 29.453 29.460 -0.005 0.000 1.042 529 W HN 0.982 nan 8.180 nan 0.000 0.316 530 T N -0.765 113.864 114.554 0.125 0.000 0.561 530 T HA -0.186 4.164 4.350 -0.000 0.000 0.771 530 T C -0.843 173.866 174.700 0.015 0.000 0.992 530 T CA 0.608 62.749 62.100 0.069 0.000 4.065 530 T CB -1.156 67.775 68.868 0.105 0.000 2.296 530 T HN 0.575 nan 8.240 nan 0.000 0.396 531 V N 2.919 122.798 119.914 -0.059 0.000 3.264 531 V HA 0.553 4.673 4.120 -0.000 0.000 0.262 531 V C 0.355 176.270 176.094 -0.297 0.000 1.616 531 V CA 1.496 63.704 62.300 -0.153 0.000 1.033 531 V CB 0.754 32.492 31.823 -0.143 0.000 0.865 531 V HN 1.961 nan 8.190 nan 0.000 0.420 532 V N -1.723 118.064 119.914 -0.211 0.000 3.307 532 V HA 0.749 4.869 4.120 -0.000 0.000 0.283 532 V C -1.505 174.521 176.094 -0.112 0.000 1.618 532 V CA -0.277 61.889 62.300 -0.224 0.000 1.052 532 V CB 1.592 33.234 31.823 -0.301 0.000 1.200 532 V HN 0.248 nan 8.190 nan 0.000 0.468 533 D N 0.839 121.192 120.400 -0.078 0.000 3.440 533 D HA 0.300 4.940 4.640 -0.000 0.000 0.120 533 D C -0.828 175.443 176.300 -0.048 0.000 0.836 533 D CA 0.337 54.292 54.000 -0.075 0.000 2.013 533 D CB 0.036 40.803 40.800 -0.056 0.000 0.724 533 D HN 1.426 nan 8.370 nan 0.000 0.909 534 I N 1.275 121.795 120.570 -0.083 0.000 9.119 534 I HA -0.256 3.914 4.170 -0.000 0.000 0.126 534 I C -0.768 175.354 176.117 0.009 0.000 1.866 534 I CA 0.519 61.776 61.300 -0.070 0.000 2.042 534 I CB 0.345 38.295 38.000 -0.084 0.000 3.955 534 I HN 0.467 nan 8.210 nan 0.000 0.171 535 D N 8.085 128.483 120.400 -0.004 0.000 2.502 535 D HA 0.169 4.809 4.640 -0.000 0.000 0.249 535 D C -2.163 174.158 176.300 0.034 0.000 1.188 535 D CA -0.050 53.952 54.000 0.003 0.000 0.890 535 D CB 0.183 40.882 40.800 -0.168 0.000 1.140 535 D HN 0.225 nan 8.370 nan 0.000 0.505 536 P HA 0.324 nan 4.420 nan 0.000 0.286 536 P C -2.854 174.551 177.300 0.176 0.000 1.261 536 P CA -2.009 61.166 63.100 0.125 0.000 0.821 536 P CB 1.260 33.036 31.700 0.126 0.000 1.013 537 P HA 0.319 nan 4.420 nan 0.000 0.301 537 P C -0.360 176.941 177.300 0.002 0.000 1.338 537 P CA -0.741 62.436 63.100 0.129 0.000 0.834 537 P CB 0.656 32.457 31.700 0.169 0.000 0.967 538 L N 1.646 122.831 121.223 -0.064 0.000 2.500 538 L HA 0.388 4.728 4.340 -0.000 0.000 0.272 538 L C 0.444 177.146 176.870 -0.280 0.000 1.149 538 L CA 0.064 54.833 54.840 -0.119 0.000 0.897 538 L CB -0.004 42.082 42.059 0.044 0.000 1.178 538 L HN 0.289 nan 8.230 nan 0.000 0.473 539 R N 2.882 123.175 120.500 -0.345 0.000 2.335 539 R HA 0.335 4.675 4.340 -0.000 0.000 0.302 539 R C -0.669 175.421 176.300 -0.349 0.000 1.147 539 R CA -0.151 55.771 56.100 -0.296 0.000 1.111 539 R CB 0.957 31.145 30.300 -0.188 0.000 1.122 539 R HN 0.925 nan 8.270 nan 0.000 0.557 540 S N 1.553 117.076 115.700 -0.294 0.000 2.508 540 S HA 0.299 4.769 4.470 -0.000 0.000 0.284 540 S C 0.362 174.892 174.600 -0.117 0.000 1.192 540 S CA -0.928 57.119 58.200 -0.254 0.000 1.070 540 S CB 1.726 64.869 63.200 -0.095 0.000 1.004 540 S HN 0.545 nan 8.310 nan 0.000 0.493 541 N N 2.111 120.745 118.700 -0.110 0.000 2.165 541 N HA 0.143 4.882 4.740 -0.000 0.000 0.230 541 N C -0.843 174.661 175.510 -0.011 0.000 1.216 541 N CA 1.156 54.178 53.050 -0.047 0.000 0.896 541 N CB 0.039 38.506 38.487 -0.033 0.000 0.921 541 N HN 0.862 nan 8.380 nan 0.000 0.376 542 D N -1.757 118.653 120.400 0.016 0.000 2.653 542 D HA 0.457 5.097 4.640 -0.000 0.000 0.258 542 D C -2.796 173.561 176.300 0.096 0.000 1.252 542 D CA -0.908 53.115 54.000 0.038 0.000 0.777 542 D CB 1.092 41.938 40.800 0.076 0.000 1.339 542 D HN 0.264 nan 8.370 nan 0.000 0.422 543 P HA 0.363 nan 4.420 nan 0.000 0.272 543 P C -1.539 175.954 177.300 0.322 0.000 1.621 543 P CA -0.722 62.487 63.100 0.181 0.000 1.343 543 P CB 1.486 33.237 31.700 0.085 0.000 1.141 544 K N 1.602 122.116 120.400 0.191 0.000 2.350 544 K HA 0.603 4.923 4.320 -0.000 0.000 0.279 544 K C 0.495 177.102 176.600 0.011 0.000 1.027 544 K CA 0.784 57.106 56.287 0.058 0.000 0.969 544 K CB 0.463 32.898 32.500 -0.108 0.000 0.954 544 K HN 0.665 nan 8.250 nan 0.000 0.474 545 S N 1.780 117.445 115.700 -0.058 0.000 4.044 545 S HA -0.184 4.286 4.470 -0.000 0.000 0.637 545 S C -1.222 173.413 174.600 0.058 0.000 1.583 545 S CA -0.011 58.163 58.200 -0.045 0.000 1.820 545 S CB -0.624 62.546 63.200 -0.050 0.000 0.329 545 S HN 0.650 nan 8.310 nan 0.000 1.700 546 Q N 1.576 121.378 119.800 0.004 0.000 2.963 546 Q HA 0.610 4.950 4.340 -0.000 0.000 0.262 546 Q C -0.430 175.520 176.000 -0.083 0.000 1.318 546 Q CA -0.102 55.691 55.803 -0.017 0.000 1.089 546 Q CB 0.347 29.062 28.738 -0.039 0.000 1.424 546 Q HN 0.396 nan 8.270 nan 0.000 0.560 547 N N 0.231 118.881 118.700 -0.083 0.000 2.452 547 N HA 0.098 4.838 4.740 -0.000 0.000 0.277 547 N C -1.503 173.928 175.510 -0.132 0.000 1.078 547 N CA -0.509 52.450 53.050 -0.152 0.000 0.947 547 N CB 1.005 39.448 38.487 -0.072 0.000 1.655 547 N HN 0.215 nan 8.380 nan 0.000 0.490 548 H N 2.065 121.100 119.070 -0.058 0.000 2.928 548 H HA 0.193 4.749 4.556 -0.000 0.000 0.338 548 H C -1.821 173.368 175.328 -0.231 0.000 1.047 548 H CA -0.524 55.444 56.048 -0.134 0.000 1.435 548 H CB 0.221 29.912 29.762 -0.120 0.000 1.428 548 H HN 0.498 nan 8.280 nan 0.000 0.590 549 P HA 0.237 nan 4.420 nan 0.000 0.272 549 P C -0.031 176.783 177.300 -0.810 0.000 1.248 549 P CA -0.027 62.734 63.100 -0.564 0.000 0.799 549 P CB 0.661 31.801 31.700 -0.933 0.000 0.997 550 G N -1.606 106.682 108.800 -0.853 0.000 2.384 550 G HA2 0.341 4.301 3.960 -0.000 0.000 0.300 550 G HA3 0.341 4.301 3.960 -0.000 0.000 0.300 550 G C -2.558 172.362 174.900 0.034 0.000 1.582 550 G CA -0.762 43.947 45.100 -0.652 0.000 0.875 550 G HN 0.537 nan 8.290 nan 0.000 0.628 551 W N 2.063 123.380 121.300 0.027 0.000 2.962 551 W HA 0.703 5.363 4.660 -0.000 0.000 0.341 551 W C -1.759 174.776 176.519 0.026 0.000 1.155 551 W CA -1.206 56.193 57.345 0.090 0.000 1.165 551 W CB 2.184 31.759 29.460 0.192 0.000 1.435 551 W HN 0.687 nan 8.180 nan 0.000 0.546 552 L N 4.788 125.372 121.223 -1.064 0.000 2.381 552 L HA 0.350 4.690 4.340 -0.000 0.000 0.274 552 L C 0.326 176.506 176.870 -1.150 0.000 0.988 552 L CA -0.553 53.752 54.840 -0.893 0.000 0.824 552 L CB 1.827 43.531 42.059 -0.592 0.000 1.263 552 L HN 0.615 nan 8.230 nan 0.000 0.410 553 M N 2.785 121.980 119.600 -0.676 0.000 2.659 553 M HA 0.069 4.549 4.480 -0.000 0.000 0.243 553 M C 1.252 177.304 176.300 -0.415 0.000 1.111 553 M CA 0.272 55.259 55.300 -0.522 0.000 1.070 553 M CB -0.349 31.994 32.600 -0.428 0.000 1.525 553 M HN 0.780 nan 8.290 nan 0.000 0.517 554 R N 0.168 120.417 120.500 -0.419 0.000 3.921 554 R HA -0.222 4.118 4.340 -0.000 0.000 0.329 554 R C 0.492 176.638 176.300 -0.257 0.000 1.055 554 R CA 1.371 57.286 56.100 -0.309 0.000 1.612 554 R CB -1.136 29.005 30.300 -0.265 0.000 2.156 554 R HN 0.550 nan 8.270 nan 0.000 0.505 555 G N -0.123 108.530 108.800 -0.244 0.000 2.975 555 G HA2 0.540 4.499 3.960 -0.000 0.000 0.299 555 G HA3 0.540 4.499 3.960 -0.000 0.000 0.299 555 G C -1.021 173.775 174.900 -0.174 0.000 1.587 555 G CA -0.639 44.344 45.100 -0.196 0.000 1.052 555 G HN 0.023 nan 8.290 nan 0.000 0.545 556 L N 0.657 121.751 121.223 -0.216 0.000 2.445 556 L HA 0.514 4.854 4.340 -0.000 0.000 0.262 556 L C -0.059 176.825 176.870 0.023 0.000 0.974 556 L CA -1.245 53.504 54.840 -0.152 0.000 0.822 556 L CB 2.629 44.310 42.059 -0.629 0.000 1.339 556 L HN 0.215 nan 8.230 nan 0.000 0.409 557 K N 2.021 122.582 120.400 0.267 0.000 2.491 557 K HA 0.134 4.454 4.320 -0.000 0.000 0.279 557 K C -2.350 174.430 176.600 0.299 0.000 1.026 557 K CA -1.183 55.274 56.287 0.283 0.000 1.070 557 K CB -0.143 32.567 32.500 0.349 0.000 0.887 557 K HN 0.208 nan 8.250 nan 0.000 0.481 558 P HA -0.090 nan 4.420 nan 0.000 0.279 558 P C -0.516 177.036 177.300 0.420 0.000 1.282 558 P CA -0.582 62.719 63.100 0.335 0.000 0.788 558 P CB 0.329 32.304 31.700 0.458 0.000 1.139 559 W N -0.263 121.138 121.300 0.168 0.000 6.905 559 W HA -0.199 4.461 4.660 -0.000 0.000 0.419 559 W C -1.455 175.153 176.519 0.149 0.000 1.653 559 W CA 1.035 58.460 57.345 0.133 0.000 1.131 559 W CB -1.564 27.962 29.460 0.110 0.000 2.876 559 W HN 0.244 nan 8.180 nan 0.000 1.563 560 T N 1.792 116.395 114.554 0.083 0.000 2.900 560 T HA 0.217 4.567 4.350 -0.000 0.000 0.303 560 T C -0.484 174.211 174.700 -0.007 0.000 1.142 560 T CA -0.639 61.475 62.100 0.024 0.000 1.007 560 T CB 2.068 71.007 68.868 0.118 0.000 1.156 560 T HN 0.125 nan 8.240 nan 0.000 0.490 561 Q N 1.709 121.464 119.800 -0.076 0.000 2.456 561 Q HA 0.322 4.662 4.340 -0.000 0.000 0.234 561 Q C -1.394 174.575 176.000 -0.053 0.000 1.061 561 Q CA -0.385 55.403 55.803 -0.025 0.000 0.896 561 Q CB 0.164 28.886 28.738 -0.026 0.000 1.233 561 Q HN 0.593 nan 8.270 nan 0.000 0.506 562 Y N 1.273 121.490 120.300 -0.137 0.000 2.436 562 Y HA 0.311 4.861 4.550 -0.000 0.000 0.343 562 Y C 0.408 176.195 175.900 -0.187 0.000 1.008 562 Y CA -0.497 57.458 58.100 -0.242 0.000 1.241 562 Y CB 1.067 39.351 38.460 -0.294 0.000 1.153 562 Y HN 0.578 nan 8.280 nan 0.000 0.521 563 A N 6.898 129.645 122.820 -0.122 0.000 2.309 563 A HA 0.626 4.946 4.320 -0.000 0.000 0.290 563 A C -0.213 177.290 177.584 -0.135 0.000 1.206 563 A CA -0.481 51.357 52.037 -0.332 0.000 0.850 563 A CB -0.345 18.367 19.000 -0.481 0.000 1.118 563 A HN 0.802 nan 8.150 nan 0.000 0.523 564 I N 0.026 120.536 120.570 -0.100 0.000 3.002 564 I HA 1.026 5.195 4.170 -0.000 0.000 0.310 564 I C -0.811 175.431 176.117 0.209 0.000 1.087 564 I CA -1.237 60.072 61.300 0.014 0.000 1.017 564 I CB 2.374 40.335 38.000 -0.066 0.000 1.226 564 I HN 0.767 nan 8.210 nan 0.000 0.443 565 F N 2.132 122.109 119.950 0.045 0.000 2.770 565 F HA 0.753 5.280 4.527 -0.000 0.000 0.313 565 F C -1.863 173.833 175.800 -0.173 0.000 1.154 565 F CA -0.965 57.056 58.000 0.035 0.000 0.923 565 F CB 0.821 39.830 39.000 0.014 0.000 1.301 565 F HN 0.471 nan 8.300 nan 0.000 0.449 566 V N 0.313 120.132 119.914 -0.157 0.000 2.914 566 V HA 0.896 5.016 4.120 -0.000 0.000 0.314 566 V C -0.942 174.953 176.094 -0.331 0.000 1.084 566 V CA -0.764 61.191 62.300 -0.575 0.000 0.963 566 V CB 1.477 32.644 31.823 -1.095 0.000 1.025 566 V HN 1.278 nan 8.190 nan 0.000 0.432 567 K N 0.866 121.021 120.400 -0.408 0.000 2.409 567 K HA 0.810 5.130 4.320 -0.000 0.000 0.252 567 K C -0.398 176.023 176.600 -0.298 0.000 1.036 567 K CA -0.222 55.914 56.287 -0.251 0.000 0.871 567 K CB 2.137 34.611 32.500 -0.044 0.000 1.374 567 K HN 0.938 nan 8.250 nan 0.000 0.459 568 T N -0.819 113.579 114.554 -0.260 0.000 2.934 568 T HA 0.344 4.693 4.350 -0.000 0.000 0.283 568 T C -0.459 174.141 174.700 -0.166 0.000 1.005 568 T CA -0.968 60.991 62.100 -0.235 0.000 1.041 568 T CB 0.853 69.514 68.868 -0.345 0.000 1.042 568 T HN 0.360 nan 8.240 nan 0.000 0.505 569 L N 4.737 125.884 121.223 -0.126 0.000 2.255 569 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 569 L C 0.178 176.979 176.870 -0.115 0.000 1.046 569 L CA -0.894 53.886 54.840 -0.101 0.000 0.816 569 L CB 0.148 42.163 42.059 -0.073 0.000 1.197 569 L HN 0.747 nan 8.230 nan 0.000 0.427 570 V N 2.753 122.567 119.914 -0.166 0.000 2.673 570 V HA 0.328 4.448 4.120 -0.000 0.000 0.303 570 V C 0.428 176.341 176.094 -0.301 0.000 1.046 570 V CA -0.130 61.979 62.300 -0.319 0.000 1.126 570 V CB 0.179 31.731 31.823 -0.452 0.000 0.934 570 V HN 0.866 nan 8.190 nan 0.000 0.487 571 T N 5.731 120.079 114.554 -0.344 0.000 3.078 571 T HA 0.448 4.798 4.350 -0.000 0.000 0.328 571 T C -0.369 174.236 174.700 -0.159 0.000 0.987 571 T CA -0.073 61.909 62.100 -0.196 0.000 1.049 571 T CB 0.288 69.129 68.868 -0.044 0.000 1.011 571 T HN 0.498 nan 8.240 nan 0.000 0.463 572 F N 2.637 122.575 119.950 -0.020 0.000 2.873 572 F HA 0.157 4.684 4.527 -0.000 0.000 0.289 572 F C 2.276 178.051 175.800 -0.042 0.000 1.206 572 F CA -0.782 57.183 58.000 -0.057 0.000 1.401 572 F CB -0.756 38.188 39.000 -0.093 0.000 0.996 572 F HN 0.555 nan 8.300 nan 0.000 0.511 573 S N -1.363 114.414 115.700 0.128 0.000 2.390 573 S HA -0.259 4.211 4.470 -0.000 0.000 0.234 573 S C 1.017 175.655 174.600 0.063 0.000 1.063 573 S CA 1.698 59.941 58.200 0.071 0.000 1.108 573 S CB -0.445 62.776 63.200 0.035 0.000 0.975 573 S HN 0.342 nan 8.310 nan 0.000 0.442 574 D N 1.743 122.186 120.400 0.073 0.000 2.233 574 D HA 0.200 4.840 4.640 -0.000 0.000 0.281 574 D C 1.884 178.194 176.300 0.016 0.000 1.175 574 D CA 0.188 54.214 54.000 0.043 0.000 1.034 574 D CB 0.005 40.834 40.800 0.049 0.000 1.133 574 D HN 0.607 nan 8.370 nan 0.000 0.519 575 E N 0.161 120.362 120.200 0.003 0.000 2.046 575 E HA 0.088 4.438 4.350 -0.000 0.000 0.199 575 E C 1.741 178.309 176.600 -0.055 0.000 0.948 575 E CA -0.440 55.947 56.400 -0.021 0.000 0.876 575 E CB -0.124 29.572 29.700 -0.007 0.000 0.901 575 E HN 0.045 nan 8.360 nan 0.000 0.479 576 R N 0.945 121.427 120.500 -0.031 0.000 2.397 576 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 576 R C -0.343 175.894 176.300 -0.106 0.000 1.102 576 R CA 0.294 56.374 56.100 -0.033 0.000 1.040 576 R CB -0.284 30.026 30.300 0.016 0.000 0.844 576 R HN 0.263 nan 8.270 nan 0.000 0.478 577 R N -0.712 119.679 120.500 -0.183 0.000 1.383 577 R HA -0.094 4.246 4.340 -0.000 0.000 0.410 577 R C -0.698 175.503 176.300 -0.164 0.000 1.316 577 R CA 0.771 56.604 56.100 -0.445 0.000 1.123 577 R CB -1.832 27.692 30.300 -1.294 0.000 3.323 577 R HN 0.061 nan 8.270 nan 0.000 0.492 578 T N 3.561 118.269 114.554 0.257 0.000 3.540 578 T HA 0.224 4.574 4.350 -0.000 0.000 0.269 578 T C 1.195 176.074 174.700 0.299 0.000 1.481 578 T CA -0.350 61.896 62.100 0.243 0.000 1.224 578 T CB -0.346 68.633 68.868 0.184 0.000 1.192 578 T HN 0.439 nan 8.240 nan 0.000 0.756 579 Y N 1.925 122.544 120.300 0.533 0.000 2.405 579 Y HA -0.023 4.526 4.550 -0.000 0.000 0.282 579 Y C 2.021 177.967 175.900 0.078 0.000 1.182 579 Y CA 0.760 59.104 58.100 0.407 0.000 1.312 579 Y CB -0.769 37.894 38.460 0.338 0.000 0.971 579 Y HN 0.740 nan 8.280 nan 0.000 0.560 580 G N -0.245 108.667 108.800 0.188 0.000 2.508 580 G HA2 0.113 4.073 3.960 -0.000 0.000 0.220 580 G HA3 0.113 4.073 3.960 -0.000 0.000 0.220 580 G C -0.877 173.899 174.900 -0.208 0.000 1.287 580 G CA -0.492 44.574 45.100 -0.057 0.000 0.916 580 G HN 0.851 nan 8.290 nan 0.000 0.574 581 A N -0.153 122.370 122.820 -0.494 0.000 2.455 581 A HA 0.902 5.222 4.320 -0.000 0.000 0.300 581 A C -0.375 177.024 177.584 -0.308 0.000 1.040 581 A CA 0.669 52.452 52.037 -0.422 0.000 0.697 581 A CB 1.807 20.407 19.000 -0.666 0.000 1.265 581 A HN 1.834 nan 8.150 nan 0.000 0.407 582 K N 1.436 121.716 120.400 -0.199 0.000 2.581 582 K HA 0.563 4.883 4.320 -0.000 0.000 0.249 582 K C -0.203 176.298 176.600 -0.166 0.000 0.966 582 K CA -0.057 56.138 56.287 -0.153 0.000 0.811 582 K CB 1.708 34.172 32.500 -0.060 0.000 1.223 582 K HN 0.969 nan 8.250 nan 0.000 0.438 583 S N 2.564 118.138 115.700 -0.209 0.000 2.587 583 S HA 0.069 4.539 4.470 -0.000 0.000 0.260 583 S C 0.144 174.629 174.600 -0.191 0.000 1.353 583 S CA -0.308 57.733 58.200 -0.264 0.000 0.995 583 S CB 0.463 63.386 63.200 -0.461 0.000 0.912 583 S HN 0.660 nan 8.310 nan 0.000 0.568 584 D N 0.257 120.557 120.400 -0.167 0.000 2.393 584 D HA 0.286 4.925 4.640 -0.000 0.000 0.246 584 D C 0.456 176.695 176.300 -0.101 0.000 1.275 584 D CA -0.103 53.807 54.000 -0.151 0.000 0.979 584 D CB 0.313 41.063 40.800 -0.084 0.000 1.101 584 D HN 0.653 nan 8.370 nan 0.000 0.505 585 I N -1.363 119.129 120.570 -0.131 0.000 2.472 585 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 585 I C -0.119 175.984 176.117 -0.023 0.000 1.016 585 I CA -0.350 60.928 61.300 -0.036 0.000 1.348 585 I CB 0.592 38.514 38.000 -0.131 0.000 1.417 585 I HN 0.186 nan 8.210 nan 0.000 0.521 586 I N 3.424 123.989 120.570 -0.008 0.000 3.067 586 I HA 0.544 4.714 4.170 -0.000 0.000 0.312 586 I C -1.296 174.648 176.117 -0.287 0.000 1.073 586 I CA -0.977 60.310 61.300 -0.022 0.000 1.016 586 I CB 1.442 39.510 38.000 0.114 0.000 1.227 586 I HN 0.463 nan 8.210 nan 0.000 0.456 587 Y N 2.314 122.618 120.300 0.007 0.000 2.328 587 Y HA 0.603 5.153 4.550 -0.000 0.000 0.336 587 Y C -0.041 175.831 175.900 -0.047 0.000 0.960 587 Y CA -1.001 57.081 58.100 -0.030 0.000 1.134 587 Y CB 1.968 40.394 38.460 -0.058 0.000 1.166 587 Y HN 0.447 nan 8.280 nan 0.000 0.464 588 V N 2.181 122.121 119.914 0.044 0.000 2.732 588 V HA 0.655 4.774 4.120 -0.000 0.000 0.310 588 V C -0.961 175.140 176.094 0.011 0.000 1.053 588 V CA -0.644 61.650 62.300 -0.009 0.000 0.957 588 V CB 1.972 33.738 31.823 -0.095 0.000 1.018 588 V HN 0.850 nan 8.190 nan 0.000 0.452 589 Q N 2.261 122.047 119.800 -0.023 0.000 2.340 589 Q HA 0.534 4.874 4.340 -0.000 0.000 0.268 589 Q C -0.581 175.416 176.000 -0.005 0.000 1.031 589 Q CA -0.399 55.377 55.803 -0.044 0.000 0.804 589 Q CB 2.001 30.644 28.738 -0.159 0.000 1.286 589 Q HN 1.099 nan 8.270 nan 0.000 0.448 590 T N 2.424 117.007 114.554 0.050 0.000 2.909 590 T HA 0.217 4.567 4.350 -0.000 0.000 0.286 590 T C 0.068 174.889 174.700 0.202 0.000 1.002 590 T CA -0.594 61.556 62.100 0.082 0.000 1.074 590 T CB 0.658 69.564 68.868 0.063 0.000 0.984 590 T HN 0.657 nan 8.240 nan 0.000 0.495 591 D N 1.948 122.479 120.400 0.218 0.000 2.054 591 D HA 0.303 4.942 4.640 -0.000 0.000 0.241 591 D C 0.937 177.454 176.300 0.361 0.000 1.276 591 D CA 0.612 54.779 54.000 0.278 0.000 0.947 591 D CB 0.076 41.015 40.800 0.231 0.000 1.340 591 D HN 0.702 nan 8.370 nan 0.000 0.538 592 A N -1.169 121.792 122.820 0.235 0.000 2.548 592 A HA 0.188 4.508 4.320 -0.000 0.000 0.236 592 A C 0.508 178.082 177.584 -0.017 0.000 1.246 592 A CA 0.347 52.469 52.037 0.142 0.000 0.993 592 A CB -0.635 18.364 19.000 -0.002 0.000 1.209 592 A HN 0.523 nan 8.150 nan 0.000 0.570 593 T N 0.909 115.366 114.554 -0.162 0.000 2.785 593 T HA -0.075 4.275 4.350 -0.000 0.000 0.339 593 T C 0.375 174.958 174.700 -0.196 0.000 1.047 593 T CA 0.249 62.157 62.100 -0.320 0.000 1.135 593 T CB -0.369 68.051 68.868 -0.747 0.000 1.085 593 T HN 0.461 nan 8.240 nan 0.000 0.510 594 N N 2.294 120.889 118.700 -0.176 0.000 2.028 594 N HA -0.010 4.730 4.740 -0.000 0.000 0.268 594 N C -2.595 172.874 175.510 -0.068 0.000 1.217 594 N CA -0.238 52.744 53.050 -0.113 0.000 0.849 594 N CB -0.656 37.772 38.487 -0.098 0.000 1.050 594 N HN 0.546 nan 8.380 nan 0.000 0.479 595 P HA 0.262 nan 4.420 nan 0.000 0.296 595 P C -0.382 176.903 177.300 -0.025 0.000 1.310 595 P CA -0.730 62.350 63.100 -0.033 0.000 0.900 595 P CB 1.310 32.984 31.700 -0.042 0.000 1.111 596 S N 1.572 117.267 115.700 -0.008 0.000 2.658 596 S HA 0.083 4.553 4.470 -0.000 0.000 0.249 596 S C 0.534 175.110 174.600 -0.040 0.000 1.363 596 S CA -0.472 57.710 58.200 -0.031 0.000 0.964 596 S CB -0.091 63.103 63.200 -0.010 0.000 0.973 596 S HN 0.394 nan 8.310 nan 0.000 0.588 597 V N 0.747 120.626 119.914 -0.058 0.000 2.732 597 V HA 0.517 4.637 4.120 -0.000 0.000 0.297 597 V C -2.584 173.454 176.094 -0.094 0.000 1.060 597 V CA -2.113 60.133 62.300 -0.090 0.000 1.038 597 V CB 0.359 32.122 31.823 -0.099 0.000 1.003 597 V HN 0.839 nan 8.190 nan 0.000 0.481 598 P HA 0.295 nan 4.420 nan 0.000 0.269 598 P C -1.106 176.098 177.300 -0.161 0.000 1.209 598 P CA 0.185 63.136 63.100 -0.250 0.000 0.776 598 P CB 0.330 31.639 31.700 -0.652 0.000 0.876 599 L N 2.100 123.292 121.223 -0.051 0.000 2.334 599 L HA 0.386 4.726 4.340 -0.000 0.000 0.276 599 L C 0.087 176.984 176.870 0.045 0.000 1.014 599 L CA -0.872 53.971 54.840 0.006 0.000 0.815 599 L CB 0.905 42.988 42.059 0.040 0.000 1.268 599 L HN 0.511 nan 8.230 nan 0.000 0.428 600 D N 0.089 120.509 120.400 0.034 0.000 2.971 600 D HA -0.153 4.487 4.640 -0.000 0.000 0.212 600 D C -2.398 173.950 176.300 0.081 0.000 1.243 600 D CA -0.334 53.696 54.000 0.050 0.000 0.781 600 D CB -1.190 39.643 40.800 0.055 0.000 0.894 600 D HN 0.238 nan 8.370 nan 0.000 0.392 601 P HA 0.370 nan 4.420 nan 0.000 0.270 601 P C 0.228 177.581 177.300 0.089 0.000 1.223 601 P CA -0.464 62.698 63.100 0.104 0.000 0.785 601 P CB 0.756 32.460 31.700 0.007 0.000 0.923 602 I N 0.690 121.326 120.570 0.109 0.000 2.607 602 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 602 I C -0.971 175.193 176.117 0.078 0.000 1.129 602 I CA -0.457 60.887 61.300 0.074 0.000 1.042 602 I CB 1.692 39.724 38.000 0.053 0.000 1.242 602 I HN 0.347 nan 8.210 nan 0.000 0.421 603 S N 7.097 122.834 115.700 0.062 0.000 2.519 603 S HA 0.861 5.331 4.470 -0.000 0.000 0.309 603 S C -0.683 173.940 174.600 0.039 0.000 1.100 603 S CA -0.542 57.694 58.200 0.059 0.000 1.059 603 S CB 1.672 64.914 63.200 0.070 0.000 1.008 603 S HN 0.613 nan 8.310 nan 0.000 0.478 604 V N -0.266 119.665 119.914 0.029 0.000 3.165 604 V HA 0.872 4.992 4.120 -0.000 0.000 0.309 604 V C -0.517 175.585 176.094 0.012 0.000 1.267 604 V CA -0.816 61.492 62.300 0.014 0.000 1.067 604 V CB 1.391 33.219 31.823 0.007 0.000 1.082 604 V HN 0.812 nan 8.190 nan 0.000 0.451 605 S N 0.520 116.220 115.700 0.000 0.000 2.449 605 S HA 0.444 4.913 4.470 -0.000 0.000 0.310 605 S C 0.519 175.119 174.600 0.001 0.000 1.096 605 S CA -0.359 57.842 58.200 0.002 0.000 1.095 605 S CB 1.080 64.272 63.200 -0.013 0.000 1.007 605 S HN 0.916 nan 8.310 nan 0.000 0.474 606 N N 2.101 120.805 118.700 0.006 0.000 2.354 606 N HA 0.032 4.772 4.740 -0.000 0.000 0.179 606 N C 0.736 176.252 175.510 0.010 0.000 1.021 606 N CA 1.074 54.127 53.050 0.004 0.000 0.887 606 N CB 0.266 38.754 38.487 0.000 0.000 0.974 606 N HN 0.664 nan 8.380 nan 0.000 0.437 607 S N -3.233 112.478 115.700 0.018 0.000 3.930 607 S HA 0.175 4.645 4.470 -0.000 0.000 0.291 607 S C 0.454 175.081 174.600 0.044 0.000 1.078 607 S CA 0.159 58.376 58.200 0.028 0.000 1.259 607 S CB -0.194 63.023 63.200 0.028 0.000 1.724 607 S HN 0.036 nan 8.310 nan 0.000 0.513 608 S N 0.409 116.146 115.700 0.062 0.000 2.497 608 S HA 0.336 4.806 4.470 -0.000 0.000 0.218 608 S C 1.512 176.192 174.600 0.132 0.000 1.023 608 S CA 0.775 59.038 58.200 0.104 0.000 0.913 608 S CB 0.267 63.520 63.200 0.088 0.000 0.800 608 S HN 0.859 nan 8.310 nan 0.000 0.505 609 S N 0.317 116.077 115.700 0.101 0.000 2.619 609 S HA 0.282 4.752 4.470 -0.000 0.000 0.238 609 S C 0.212 174.868 174.600 0.093 0.000 1.068 609 S CA -0.456 57.815 58.200 0.120 0.000 0.926 609 S CB 0.034 63.290 63.200 0.094 0.000 0.864 609 S HN 0.474 nan 8.310 nan 0.000 0.493 610 Q N 1.290 121.124 119.800 0.057 0.000 2.288 610 Q HA 0.500 4.840 4.340 -0.000 0.000 0.254 610 Q C -0.903 175.118 176.000 0.035 0.000 0.932 610 Q CA 0.192 56.011 55.803 0.027 0.000 0.902 610 Q CB 1.662 30.406 28.738 0.010 0.000 1.203 610 Q HN 0.511 nan 8.270 nan 0.000 0.415 611 I N 3.660 124.239 120.570 0.016 0.000 2.548 611 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 611 I C -1.382 174.731 176.117 -0.007 0.000 1.103 611 I CA -1.179 60.135 61.300 0.023 0.000 1.049 611 I CB 1.209 39.253 38.000 0.074 0.000 1.232 611 I HN 0.648 nan 8.210 nan 0.000 0.429 612 I N 6.244 126.815 120.570 0.001 0.000 2.354 612 I HA 0.498 4.667 4.170 -0.000 0.000 0.292 612 I C -1.504 174.624 176.117 0.018 0.000 0.989 612 I CA -0.412 60.884 61.300 -0.007 0.000 1.188 612 I CB 1.625 39.614 38.000 -0.017 0.000 1.342 612 I HN 0.508 nan 8.210 nan 0.000 0.457 613 L N 6.933 128.178 121.223 0.038 0.000 2.298 613 L HA 0.581 4.921 4.340 -0.000 0.000 0.284 613 L C -0.488 176.441 176.870 0.098 0.000 1.013 613 L CA -0.463 54.453 54.840 0.126 0.000 0.824 613 L CB 1.118 43.310 42.059 0.221 0.000 1.221 613 L HN 0.844 nan 8.230 nan 0.000 0.418 614 K N 3.982 124.442 120.400 0.100 0.000 2.354 614 K HA 0.696 5.016 4.320 -0.000 0.000 0.238 614 K C -1.511 175.197 176.600 0.179 0.000 1.068 614 K CA -0.520 55.733 56.287 -0.056 0.000 0.925 614 K CB 2.231 34.689 32.500 -0.070 0.000 1.286 614 K HN 0.616 nan 8.250 nan 0.000 0.500 615 W N -1.108 120.149 121.300 -0.071 0.000 3.177 615 W HA 0.308 4.968 4.660 -0.000 0.000 0.354 615 W C -2.229 174.244 176.519 -0.077 0.000 0.862 615 W CA -0.956 56.334 57.345 -0.092 0.000 0.928 615 W CB 0.017 29.382 29.460 -0.158 0.000 1.455 615 W HN 0.234 nan 8.180 nan 0.000 0.531 616 K N 1.052 121.628 120.400 0.292 0.000 2.267 616 K HA 0.621 4.941 4.320 -0.000 0.000 0.246 616 K C -2.615 174.172 176.600 0.313 0.000 0.954 616 K CA -1.756 54.645 56.287 0.190 0.000 0.824 616 K CB 2.154 34.718 32.500 0.105 0.000 1.167 616 K HN 0.054 nan 8.250 nan 0.000 0.431 617 P HA 0.186 nan 4.420 nan 0.000 0.279 617 P C -2.487 174.934 177.300 0.201 0.000 1.239 617 P CA -1.330 61.959 63.100 0.315 0.000 0.789 617 P CB -0.061 31.814 31.700 0.290 0.000 0.933 618 P HA -0.102 nan 4.420 nan 0.000 0.269 618 P C 0.634 177.991 177.300 0.094 0.000 1.200 618 P CA 0.579 63.742 63.100 0.106 0.000 0.779 618 P CB 0.043 31.810 31.700 0.112 0.000 0.841 619 S N -1.133 114.608 115.700 0.069 0.000 2.522 619 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 619 S C 0.223 174.876 174.600 0.088 0.000 0.986 619 S CA 1.003 59.248 58.200 0.075 0.000 0.929 619 S CB -0.291 62.947 63.200 0.064 0.000 0.769 619 S HN 0.457 nan 8.310 nan 0.000 0.529 620 D N -0.296 120.157 120.400 0.088 0.000 2.750 620 D HA 0.313 4.953 4.640 -0.000 0.000 0.142 620 D C -2.169 174.188 176.300 0.094 0.000 1.370 620 D CA 0.222 54.286 54.000 0.107 0.000 1.563 620 D CB -0.696 40.173 40.800 0.115 0.000 1.697 620 D HN -0.033 nan 8.370 nan 0.000 0.188 621 P HA -0.227 nan 4.420 nan 0.000 0.288 621 P C -0.230 177.114 177.300 0.074 0.000 1.122 621 P CA 1.683 64.802 63.100 0.032 0.000 1.130 621 P CB -0.776 30.900 31.700 -0.040 0.000 0.862 622 N N 0.929 119.621 118.700 -0.015 0.000 2.223 622 N HA 0.442 5.182 4.740 -0.000 0.000 0.258 622 N C 0.844 176.263 175.510 -0.152 0.000 1.251 622 N CA 1.032 54.068 53.050 -0.023 0.000 0.894 622 N CB -0.616 37.706 38.487 -0.276 0.000 1.204 622 N HN 0.711 nan 8.380 nan 0.000 0.398 623 G N -2.728 105.698 108.800 -0.622 0.000 2.731 623 G HA2 0.312 4.272 3.960 -0.000 0.000 0.309 623 G HA3 0.312 4.272 3.960 -0.000 0.000 0.309 623 G C -0.264 174.377 174.900 -0.432 0.000 1.273 623 G CA -0.016 44.865 45.100 -0.364 0.000 0.798 623 G HN 0.505 nan 8.290 nan 0.000 0.509 624 N N -0.740 117.885 118.700 -0.126 0.000 2.119 624 N HA -0.264 4.476 4.740 -0.000 0.000 0.218 624 N C 1.212 176.625 175.510 -0.162 0.000 0.582 624 N CA 2.390 55.383 53.050 -0.096 0.000 3.971 624 N CB -1.170 37.266 38.487 -0.085 0.000 0.769 624 N HN 2.008 nan 8.380 nan 0.000 0.281 625 I N -1.748 118.670 120.570 -0.253 0.000 7.623 625 I HA -0.276 3.894 4.170 -0.000 0.000 0.126 625 I C 1.240 177.182 176.117 -0.291 0.000 1.671 625 I CA 1.024 62.160 61.300 -0.272 0.000 2.292 625 I CB -1.563 36.305 38.000 -0.220 0.000 3.366 625 I HN 0.485 nan 8.210 nan 0.000 0.240 626 T N 2.656 117.010 114.554 -0.334 0.000 2.652 626 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 626 T C 0.601 175.163 174.700 -0.230 0.000 1.039 626 T CA 1.882 63.812 62.100 -0.283 0.000 1.153 626 T CB -0.462 68.222 68.868 -0.308 0.000 0.863 626 T HN 1.177 nan 8.240 nan 0.000 0.428 627 H N -1.730 117.231 119.070 -0.182 0.000 2.985 627 H HA 0.660 5.216 4.556 -0.000 0.000 0.360 627 H C -1.427 173.744 175.328 -0.262 0.000 1.221 627 H CA -1.944 53.995 56.048 -0.183 0.000 1.121 627 H CB 0.275 30.013 29.762 -0.041 0.000 1.854 627 H HN 0.264 nan 8.280 nan 0.000 0.551 628 Y N -0.116 120.368 120.300 0.306 0.000 2.392 628 Y HA 0.453 5.003 4.550 -0.000 0.000 0.323 628 Y C -0.180 175.835 175.900 0.193 0.000 1.291 628 Y CA -1.209 57.018 58.100 0.211 0.000 1.345 628 Y CB 1.343 39.928 38.460 0.207 0.000 1.320 628 Y HN 0.457 nan 8.280 nan 0.000 0.518 629 L N 1.721 123.112 121.223 0.279 0.000 2.480 629 L HA 0.379 4.719 4.340 -0.000 0.000 0.253 629 L C -1.454 175.551 176.870 0.225 0.000 1.324 629 L CA -0.205 54.764 54.840 0.215 0.000 0.916 629 L CB 0.686 42.867 42.059 0.202 0.000 1.160 629 L HN 0.378 nan 8.230 nan 0.000 0.503 630 V N 3.816 123.868 119.914 0.230 0.000 2.381 630 V HA 0.123 4.243 4.120 -0.000 0.000 0.257 630 V C 0.491 176.912 176.094 0.545 0.000 1.057 630 V CA -0.023 62.428 62.300 0.250 0.000 1.013 630 V CB -0.627 31.295 31.823 0.166 0.000 1.069 630 V HN 0.280 nan 8.190 nan 0.000 0.484 631 F N 4.701 124.761 119.950 0.182 0.000 2.444 631 F HA 0.571 5.097 4.527 -0.000 0.000 0.331 631 F C 0.302 176.235 175.800 0.222 0.000 1.167 631 F CA -1.173 56.903 58.000 0.128 0.000 1.262 631 F CB 0.865 39.801 39.000 -0.106 0.000 1.196 631 F HN 0.709 nan 8.300 nan 0.000 0.583 632 W N 1.540 122.675 121.300 -0.275 0.000 3.707 632 W HA 0.612 5.272 4.660 -0.000 0.000 0.294 632 W C -1.930 174.325 176.519 -0.441 0.000 1.248 632 W CA -0.802 56.395 57.345 -0.247 0.000 1.217 632 W CB 0.905 30.245 29.460 -0.200 0.000 1.306 632 W HN 0.588 nan 8.180 nan 0.000 0.532 633 E N 2.664 122.679 120.200 -0.309 0.000 2.390 633 E HA 0.360 4.710 4.350 -0.000 0.000 0.277 633 E C -1.300 175.436 176.600 0.226 0.000 0.939 633 E CA -1.187 55.039 56.400 -0.289 0.000 0.769 633 E CB 2.369 31.902 29.700 -0.278 0.000 1.251 633 E HN 0.724 nan 8.360 nan 0.000 0.450 634 R N 2.896 123.563 120.500 0.278 0.000 2.316 634 R HA 0.141 4.481 4.340 -0.000 0.000 0.314 634 R C -0.644 175.720 176.300 0.107 0.000 1.069 634 R CA 0.117 56.434 56.100 0.362 0.000 0.959 634 R CB 0.693 31.164 30.300 0.285 0.000 0.987 634 R HN 0.431 nan 8.270 nan 0.000 0.446 635 Q N 2.850 122.663 119.800 0.021 0.000 2.290 635 Q HA 0.379 4.719 4.340 -0.000 0.000 0.259 635 Q C -0.689 175.279 176.000 -0.053 0.000 0.941 635 Q CA -0.619 55.175 55.803 -0.015 0.000 0.912 635 Q CB 2.116 30.849 28.738 -0.009 0.000 1.244 635 Q HN 0.758 nan 8.270 nan 0.000 0.441 636 A N 3.083 125.883 122.820 -0.033 0.000 2.252 636 A HA 0.412 4.732 4.320 -0.000 0.000 0.305 636 A C 0.095 177.659 177.584 -0.032 0.000 1.097 636 A CA -0.608 51.407 52.037 -0.037 0.000 0.849 636 A CB 0.637 19.622 19.000 -0.026 0.000 1.142 636 A HN 0.684 nan 8.150 nan 0.000 0.499 637 E N -0.290 119.890 120.200 -0.032 0.000 2.602 637 E HA 0.276 4.625 4.350 -0.000 0.000 0.255 637 E C -0.667 175.913 176.600 -0.032 0.000 1.268 637 E CA -0.236 56.150 56.400 -0.024 0.000 1.007 637 E CB 0.360 30.050 29.700 -0.016 0.000 1.208 637 E HN 0.656 nan 8.360 nan 0.000 0.584 638 D N -1.520 118.861 120.400 -0.032 0.000 2.526 638 D HA 0.047 4.687 4.640 -0.000 0.000 0.293 638 D C 1.050 177.330 176.300 -0.033 0.000 1.081 638 D CA 0.874 54.855 54.000 -0.033 0.000 0.924 638 D CB 0.278 41.058 40.800 -0.033 0.000 1.498 638 D HN 0.421 nan 8.370 nan 0.000 0.497 639 S N -1.155 114.525 115.700 -0.033 0.000 7.065 639 S HA 0.244 4.714 4.470 -0.000 0.000 0.081 639 S C -0.885 173.702 174.600 -0.021 0.000 1.518 639 S CA 0.442 58.626 58.200 -0.026 0.000 0.926 639 S CB 0.871 64.060 63.200 -0.019 0.000 1.180 639 S HN 0.238 nan 8.310 nan 0.000 0.546 640 E N -0.365 119.822 120.200 -0.021 0.000 8.579 640 E HA 0.143 4.493 4.350 -0.000 0.000 0.541 640 E C -2.016 174.577 176.600 -0.012 0.000 1.412 640 E CA 0.554 56.937 56.400 -0.029 0.000 2.608 640 E CB -0.970 28.713 29.700 -0.028 0.000 0.975 640 E HN 1.288 nan 8.360 nan 0.000 0.263 641 L N 2.696 123.908 121.223 -0.019 0.000 2.811 641 L HA 0.348 4.688 4.340 -0.000 0.000 0.251 641 L C -0.252 176.636 176.870 0.029 0.000 0.971 641 L CA -0.356 54.487 54.840 0.005 0.000 0.990 641 L CB 0.528 42.580 42.059 -0.012 0.000 1.320 641 L HN 0.655 nan 8.230 nan 0.000 0.473 642 F N 1.203 121.125 119.950 -0.047 0.000 2.664 642 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 642 F C 1.749 177.523 175.800 -0.044 0.000 1.164 642 F CA 1.753 59.731 58.000 -0.036 0.000 1.472 642 F CB 0.208 39.188 39.000 -0.033 0.000 1.108 642 F HN 0.707 nan 8.300 nan 0.000 0.596 643 E N -1.297 118.975 120.200 0.120 0.000 2.447 643 E HA 0.128 4.477 4.350 -0.000 0.000 0.204 643 E C 0.121 176.729 176.600 0.013 0.000 0.977 643 E CA -0.108 56.322 56.400 0.050 0.000 0.950 643 E CB 0.229 29.916 29.700 -0.021 0.000 0.975 643 E HN -0.045 nan 8.360 nan 0.000 0.496 644 L N 2.293 123.516 121.223 0.000 0.000 1.299 644 L HA -0.199 4.141 4.340 -0.000 0.000 0.392 644 L C 0.608 177.487 176.870 0.014 0.000 1.003 644 L CA 0.918 55.757 54.840 -0.003 0.000 1.227 644 L CB -0.918 41.137 42.059 -0.006 0.000 0.619 644 L HN 0.428 nan 8.230 nan 0.000 0.333 645 D N 4.319 124.731 120.400 0.020 0.000 1.963 645 D HA -0.315 4.325 4.640 -0.000 0.000 0.617 645 D C 0.952 177.312 176.300 0.101 0.000 0.832 645 D CA 2.174 56.201 54.000 0.045 0.000 1.594 645 D CB -0.142 40.691 40.800 0.054 0.000 1.072 645 D HN 0.746 nan 8.370 nan 0.000 0.341 646 Y N -0.751 119.538 120.300 -0.018 0.000 2.993 646 Y HA -0.266 4.284 4.550 -0.000 0.000 0.202 646 Y C -0.046 175.845 175.900 -0.016 0.000 1.361 646 Y CA -0.443 57.649 58.100 -0.014 0.000 0.842 646 Y CB -1.519 36.931 38.460 -0.016 0.000 1.322 646 Y HN 0.338 nan 8.280 nan 0.000 0.368 647 c N 7.133 125.805 118.600 0.120 0.000 3.575 647 c HA 0.274 4.844 4.570 -0.000 0.000 0.508 647 c C 0.619 174.652 174.090 -0.096 0.000 1.031 647 c CA 0.197 56.519 56.329 -0.011 0.000 1.060 647 c CB -2.267 40.269 42.510 0.044 0.000 1.421 647 c HN 0.648 nan 8.230 nan 0.000 0.612 648 L N 2.381 123.392 121.223 -0.354 0.000 2.493 648 L HA -0.049 4.291 4.340 -0.000 0.000 0.645 648 L C 0.586 176.983 176.870 -0.789 0.000 1.285 648 L CA 0.205 54.823 54.840 -0.370 0.000 1.343 648 L CB -0.868 41.122 42.059 -0.114 0.000 2.197 648 L HN 0.461 nan 8.230 nan 0.000 0.967 649 K N 0.746 120.635 120.400 -0.853 0.000 2.118 649 K HA 0.172 4.492 4.320 -0.000 0.000 0.214 649 K C 1.359 177.810 176.600 -0.247 0.000 1.023 649 K CA 1.253 57.025 56.287 -0.858 0.000 0.948 649 K CB -0.031 32.144 32.500 -0.542 0.000 0.851 649 K HN 0.543 nan 8.250 nan 0.000 0.455 650 G N 1.583 110.284 108.800 -0.165 0.000 2.652 650 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.189 650 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.189 650 G C 1.295 176.178 174.900 -0.028 0.000 1.331 650 G CA 1.689 46.748 45.100 -0.068 0.000 0.875 650 G HN 0.412 nan 8.290 nan 0.000 0.672 651 L N -2.346 118.865 121.223 -0.020 0.000 3.712 651 L HA 0.322 4.662 4.340 -0.000 0.000 0.357 651 L C 0.479 177.355 176.870 0.011 0.000 1.071 651 L CA 0.273 55.115 54.840 0.003 0.000 1.346 651 L CB 0.474 42.541 42.059 0.013 0.000 1.923 651 L HN 0.576 nan 8.230 nan 0.000 0.621 652 K N 0.451 120.858 120.400 0.012 0.000 1.200 652 K HA -0.195 4.125 4.320 -0.000 0.000 0.773 652 K C -0.676 175.950 176.600 0.044 0.000 2.023 652 K CA 0.812 57.121 56.287 0.037 0.000 1.213 652 K CB -0.829 31.701 32.500 0.049 0.000 2.254 652 K HN 0.114 nan 8.250 nan 0.000 0.392 653 L N -0.527 120.729 121.223 0.054 0.000 2.781 653 L HA 0.062 4.402 4.340 -0.000 0.000 0.308 653 L C -1.644 175.248 176.870 0.037 0.000 1.240 653 L CA -0.178 54.691 54.840 0.048 0.000 0.873 653 L CB -1.135 40.949 42.059 0.041 0.000 1.144 653 L HN 0.479 nan 8.230 nan 0.000 0.505 654 P HA -0.130 nan 4.420 nan 0.000 0.246 654 P C 0.078 177.394 177.300 0.026 0.000 1.092 654 P CA 0.804 63.923 63.100 0.032 0.000 0.795 654 P CB 0.022 31.740 31.700 0.030 0.000 0.700 694 K N 0.626 121.040 120.400 0.023 0.000 2.049 694 K HA -0.326 3.994 4.320 -0.000 0.000 0.219 694 K C 1.710 178.331 176.600 0.035 0.000 1.056 694 K CA 2.606 58.906 56.287 0.021 0.000 0.946 694 K CB -0.205 32.302 32.500 0.012 0.000 0.723 694 K HN 0.586 nan 8.250 nan 0.000 0.453 695 E N 0.551 120.774 120.200 0.038 0.000 2.097 695 E HA -0.232 4.117 4.350 -0.000 0.000 0.196 695 E C 2.034 178.679 176.600 0.075 0.000 1.000 695 E CA 1.018 57.449 56.400 0.052 0.000 0.804 695 E CB -0.030 29.697 29.700 0.044 0.000 0.740 695 E HN 0.219 nan 8.360 nan 0.000 0.454 696 L N 1.044 122.312 121.223 0.074 0.000 2.046 696 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 696 L C 2.302 179.239 176.870 0.112 0.000 1.077 696 L CA 1.707 56.609 54.840 0.103 0.000 0.747 696 L CB -0.738 41.377 42.059 0.093 0.000 0.896 696 L HN 0.274 nan 8.230 nan 0.000 0.432 697 E N 0.017 120.267 120.200 0.083 0.000 2.005 697 E HA -0.301 4.049 4.350 -0.000 0.000 0.198 697 E C 1.924 178.592 176.600 0.113 0.000 1.010 697 E CA 1.457 57.904 56.400 0.079 0.000 0.825 697 E CB -0.239 29.489 29.700 0.048 0.000 0.769 697 E HN 0.483 nan 8.360 nan 0.000 0.456 698 E N 0.376 120.637 120.200 0.101 0.000 2.209 698 E HA -0.163 4.186 4.350 -0.000 0.000 0.196 698 E C 2.133 178.871 176.600 0.230 0.000 0.993 698 E CA 0.854 57.347 56.400 0.154 0.000 0.819 698 E CB 0.001 29.750 29.700 0.082 0.000 0.745 698 E HN 0.007 nan 8.360 nan 0.000 0.477 699 S N -0.285 115.516 115.700 0.169 0.000 2.356 699 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 699 S C 2.040 176.737 174.600 0.162 0.000 1.032 699 S CA 1.618 59.921 58.200 0.171 0.000 1.005 699 S CB -0.287 63.014 63.200 0.169 0.000 0.867 699 S HN 0.310 nan 8.310 nan 0.000 0.449 700 S N -0.159 115.623 115.700 0.137 0.000 2.402 700 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 700 S C 1.531 176.149 174.600 0.030 0.000 1.021 700 S CA 1.233 59.462 58.200 0.048 0.000 0.974 700 S CB -0.728 62.475 63.200 0.004 0.000 0.800 700 S HN 0.598 nan 8.310 nan 0.000 0.484 701 F N 3.141 123.078 119.950 -0.022 0.000 2.015 701 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 701 F C 2.351 178.151 175.800 0.001 0.000 1.141 701 F CA 2.229 60.212 58.000 -0.028 0.000 1.192 701 F CB -0.677 38.357 39.000 0.056 0.000 0.957 701 F HN 0.138 nan 8.300 nan 0.000 0.491 702 R N 0.340 120.885 120.500 0.074 0.000 2.139 702 R HA -0.211 4.129 4.340 -0.000 0.000 0.243 702 R C 2.361 178.637 176.300 -0.040 0.000 1.145 702 R CA 1.676 57.787 56.100 0.018 0.000 0.976 702 R CB -0.665 29.741 30.300 0.178 0.000 0.866 702 R HN 0.409 nan 8.270 nan 0.000 0.449 703 K N 0.637 121.010 120.400 -0.045 0.000 2.026 703 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 703 K C 1.870 178.364 176.600 -0.178 0.000 1.048 703 K CA 1.875 58.120 56.287 -0.070 0.000 0.929 703 K CB -0.042 32.419 32.500 -0.065 0.000 0.713 703 K HN 0.103 nan 8.250 nan 0.000 0.439 704 T N 0.871 115.226 114.554 -0.332 0.000 2.685 704 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 704 T C 1.622 176.058 174.700 -0.440 0.000 1.034 704 T CA 1.866 63.659 62.100 -0.511 0.000 1.149 704 T CB -0.431 68.052 68.868 -0.642 0.000 0.860 704 T HN 0.229 nan 8.240 nan 0.000 0.449 705 F N 1.053 120.941 119.950 -0.103 0.000 2.325 705 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 705 F C 2.573 178.372 175.800 -0.003 0.000 1.090 705 F CA 0.511 58.531 58.000 0.033 0.000 1.392 705 F CB -0.293 38.649 39.000 -0.098 0.000 1.053 705 F HN 0.171 nan 8.300 nan 0.000 0.521 706 E N 0.679 120.931 120.200 0.088 0.000 2.038 706 E HA -0.218 4.131 4.350 -0.000 0.000 0.195 706 E C 1.724 178.329 176.600 0.008 0.000 1.000 706 E CA 1.687 58.107 56.400 0.033 0.000 0.803 706 E CB -0.073 29.641 29.700 0.023 0.000 0.750 706 E HN 0.297 nan 8.360 nan 0.000 0.448 707 D N -0.177 120.219 120.400 -0.008 0.000 2.104 707 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 707 D C 1.713 178.053 176.300 0.067 0.000 0.994 707 D CA 1.138 55.165 54.000 0.045 0.000 0.830 707 D CB -0.645 40.075 40.800 -0.132 0.000 0.959 707 D HN 0.316 nan 8.370 nan 0.000 0.452 708 Y N 0.428 120.751 120.300 0.037 0.000 2.228 708 Y HA -0.123 4.427 4.550 -0.000 0.000 0.285 708 Y C 1.446 177.377 175.900 0.053 0.000 1.178 708 Y CA 0.192 58.324 58.100 0.054 0.000 1.202 708 Y CB -0.122 38.391 38.460 0.088 0.000 0.974 708 Y HN -0.060 nan 8.280 nan 0.000 0.527 709 L N 1.146 122.461 121.223 0.153 0.000 2.821 709 L HA 0.035 4.375 4.340 -0.000 0.000 0.239 709 L C -0.114 176.673 176.870 -0.139 0.000 1.391 709 L CA 0.008 54.859 54.840 0.018 0.000 1.231 709 L CB -0.697 41.347 42.059 -0.024 0.000 1.598 709 L HN 0.269 nan 8.230 nan 0.000 0.428 756 H N 0.412 119.527 119.070 0.075 0.000 4.107 756 H HA 0.222 4.777 4.556 -0.000 0.000 0.215 756 H C -0.925 174.425 175.328 0.037 0.000 1.144 756 H CA 0.148 56.223 56.048 0.045 0.000 1.256 756 H CB 0.041 29.817 29.762 0.024 0.000 3.176 756 H HN 0.042 nan 8.280 nan 0.000 0.546 757 R N 0.448 120.983 120.500 0.058 0.000 0.951 757 R HA -0.092 4.248 4.340 -0.000 0.000 0.431 757 R C -2.547 173.767 176.300 0.023 0.000 1.348 757 R CA -0.123 55.993 56.100 0.027 0.000 0.884 757 R CB -0.909 29.363 30.300 -0.047 0.000 2.911 757 R HN 0.329 nan 8.270 nan 0.000 0.519 758 P HA -0.177 nan 4.420 nan 0.000 0.271 758 P C 0.184 177.388 177.300 -0.159 0.000 1.164 758 P CA 0.683 63.783 63.100 -0.000 0.000 0.758 758 P CB 0.207 31.921 31.700 0.023 0.000 0.769 759 F N 0.830 120.528 119.950 -0.420 0.000 2.731 759 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 759 F C 0.868 176.794 175.800 0.211 0.000 1.106 759 F CA 0.279 58.109 58.000 -0.283 0.000 1.329 759 F CB 0.680 39.278 39.000 -0.670 0.000 1.100 759 F HN 0.307 nan 8.300 nan 0.000 0.592 760 E N 0.380 120.761 120.200 0.303 0.000 3.386 760 E HA 0.146 4.496 4.350 -0.000 0.000 0.370 760 E C -1.636 175.043 176.600 0.131 0.000 1.006 760 E CA -0.359 56.179 56.400 0.231 0.000 0.812 760 E CB 0.419 30.282 29.700 0.272 0.000 1.301 760 E HN -0.036 nan 8.360 nan 0.000 0.460 761 K N 2.941 123.358 120.400 0.029 0.000 2.263 761 K HA 0.553 4.873 4.320 -0.000 0.000 0.272 761 K C -0.886 175.750 176.600 0.060 0.000 1.033 761 K CA -0.852 55.411 56.287 -0.040 0.000 0.884 761 K CB 1.732 34.104 32.500 -0.214 0.000 1.107 761 K HN 0.262 nan 8.250 nan 0.000 0.460 762 V N 4.187 124.198 119.914 0.161 0.000 2.427 762 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 762 V C -0.271 175.936 176.094 0.188 0.000 1.034 762 V CA -0.803 61.623 62.300 0.209 0.000 0.893 762 V CB 1.541 33.591 31.823 0.378 0.000 0.982 762 V HN 0.425 nan 8.190 nan 0.000 0.452 763 V N 3.610 123.592 119.914 0.114 0.000 2.588 763 V HA 0.497 4.617 4.120 -0.000 0.000 0.304 763 V C 0.315 176.429 176.094 0.033 0.000 1.042 763 V CA -1.148 61.189 62.300 0.061 0.000 0.877 763 V CB 1.550 33.404 31.823 0.051 0.000 0.996 763 V HN 0.842 nan 8.190 nan 0.000 0.425 764 N N 2.064 120.763 118.700 -0.001 0.000 2.696 764 N HA -0.236 4.504 4.740 -0.000 0.000 0.254 764 N C -0.260 175.259 175.510 0.014 0.000 0.988 764 N CA 1.448 54.498 53.050 -0.000 0.000 0.775 764 N CB -0.590 37.892 38.487 -0.008 0.000 0.933 764 N HN 0.940 nan 8.380 nan 0.000 0.539 765 K N 0.549 120.972 120.400 0.038 0.000 2.543 765 K HA 0.117 4.437 4.320 -0.000 0.000 0.255 765 K C -0.579 176.009 176.600 -0.019 0.000 0.934 765 K CA -0.563 55.716 56.287 -0.013 0.000 0.810 765 K CB 1.185 33.661 32.500 -0.038 0.000 1.315 765 K HN -0.054 nan 8.250 nan 0.000 0.433 766 E N 2.139 122.208 120.200 -0.219 0.000 2.354 766 E HA 0.189 4.539 4.350 -0.000 0.000 0.252 766 E C -0.999 174.788 176.600 -1.354 0.000 1.330 766 E CA -0.451 55.490 56.400 -0.764 0.000 1.658 766 E CB 0.556 29.828 29.700 -0.713 0.000 1.460 766 E HN 0.351 nan 8.360 nan 0.000 0.435 767 S N 0.991 116.206 115.700 -0.808 0.000 2.603 767 S HA 0.439 4.909 4.470 -0.000 0.000 0.274 767 S C -1.380 173.095 174.600 -0.210 0.000 1.168 767 S CA -0.753 57.120 58.200 -0.544 0.000 0.963 767 S CB 1.506 64.519 63.200 -0.311 0.000 1.078 767 S HN 0.311 nan 8.310 nan 0.000 0.477 768 L N 4.050 125.243 121.223 -0.051 0.000 2.362 768 L HA 0.807 5.147 4.340 -0.000 0.000 0.271 768 L C -1.052 175.796 176.870 -0.036 0.000 1.002 768 L CA -0.665 54.185 54.840 0.017 0.000 0.818 768 L CB 1.901 44.029 42.059 0.116 0.000 1.298 768 L HN 0.507 nan 8.230 nan 0.000 0.420 769 V N 3.390 123.258 119.914 -0.075 0.000 2.266 769 V HA 0.466 4.586 4.120 -0.000 0.000 0.271 769 V C 0.228 176.235 176.094 -0.145 0.000 1.032 769 V CA -0.606 61.642 62.300 -0.087 0.000 0.806 769 V CB 0.656 32.439 31.823 -0.066 0.000 1.052 769 V HN 0.579 nan 8.190 nan 0.000 0.449 770 I N 3.229 123.681 120.570 -0.197 0.000 2.349 770 I HA 0.172 4.342 4.170 -0.000 0.000 0.302 770 I C 0.708 176.707 176.117 -0.197 0.000 1.180 770 I CA 0.917 62.012 61.300 -0.342 0.000 1.405 770 I CB 0.125 37.802 38.000 -0.539 0.000 1.474 770 I HN 0.616 nan 8.210 nan 0.000 0.632 771 S N 3.412 119.026 115.700 -0.144 0.000 2.578 771 S HA 0.678 5.148 4.470 -0.000 0.000 0.283 771 S C 0.703 175.289 174.600 -0.023 0.000 1.195 771 S CA -0.026 58.141 58.200 -0.056 0.000 1.050 771 S CB 1.698 64.876 63.200 -0.036 0.000 1.012 771 S HN 0.923 nan 8.310 nan 0.000 0.511 772 G N 2.186 111.007 108.800 0.036 0.000 2.455 772 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.169 772 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.169 772 G C -0.712 174.270 174.900 0.137 0.000 1.074 772 G CA -0.639 44.508 45.100 0.077 0.000 0.796 772 G HN 0.535 nan 8.290 nan 0.000 0.489 773 L N -0.413 120.914 121.223 0.174 0.000 2.354 773 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 773 L C 1.038 178.100 176.870 0.320 0.000 1.005 773 L CA -1.210 53.811 54.840 0.302 0.000 0.819 773 L CB 1.788 44.083 42.059 0.393 0.000 1.311 773 L HN 0.121 nan 8.230 nan 0.000 0.423 774 R N 1.808 122.524 120.500 0.360 0.000 2.522 774 R HA 0.063 4.403 4.340 -0.000 0.000 0.284 774 R C -0.088 176.333 176.300 0.202 0.000 1.032 774 R CA -0.396 55.861 56.100 0.262 0.000 1.049 774 R CB 0.290 30.677 30.300 0.145 0.000 0.956 774 R HN 0.552 nan 8.270 nan 0.000 0.422 775 H N 2.552 121.690 119.070 0.113 0.000 2.801 775 H HA -0.099 4.457 4.556 -0.000 0.000 0.377 775 H C 0.582 175.998 175.328 0.146 0.000 1.304 775 H CA -0.487 55.631 56.048 0.116 0.000 1.451 775 H CB 0.116 29.951 29.762 0.123 0.000 1.474 775 H HN 0.765 nan 8.280 nan 0.000 0.620 776 F N -0.091 119.873 119.950 0.023 0.000 2.943 776 F HA -0.303 4.224 4.527 -0.000 0.000 0.241 776 F C -0.016 175.706 175.800 -0.131 0.000 1.004 776 F CA 1.502 59.465 58.000 -0.062 0.000 0.804 776 F CB -0.828 38.136 39.000 -0.059 0.000 0.738 776 F HN 0.874 nan 8.300 nan 0.000 0.730 777 T N -2.012 112.483 114.554 -0.097 0.000 2.950 777 T HA 0.806 5.156 4.350 -0.000 0.000 0.288 777 T C 0.399 174.875 174.700 -0.374 0.000 1.035 777 T CA -0.275 61.699 62.100 -0.211 0.000 1.028 777 T CB 1.975 70.691 68.868 -0.255 0.000 1.109 777 T HN 0.296 nan 8.240 nan 0.000 0.514 778 G N -0.518 108.041 108.800 -0.402 0.000 2.537 778 G HA2 0.678 4.638 3.960 -0.000 0.000 0.308 778 G HA3 0.678 4.638 3.960 -0.000 0.000 0.308 778 G C -1.972 172.673 174.900 -0.425 0.000 1.237 778 G CA -0.995 43.897 45.100 -0.346 0.000 0.968 778 G HN 0.690 nan 8.290 nan 0.000 0.481 779 Y N -0.524 119.803 120.300 0.046 0.000 2.545 779 Y HA 0.583 5.133 4.550 -0.000 0.000 0.348 779 Y C 0.234 176.173 175.900 0.065 0.000 1.002 779 Y CA -1.260 56.881 58.100 0.069 0.000 1.039 779 Y CB 2.243 40.787 38.460 0.139 0.000 1.271 779 Y HN 0.178 nan 8.280 nan 0.000 0.467 780 R N 3.601 124.247 120.500 0.243 0.000 2.230 780 R HA 0.372 4.712 4.340 -0.000 0.000 0.337 780 R C -0.939 175.465 176.300 0.173 0.000 1.063 780 R CA -0.515 55.682 56.100 0.161 0.000 0.935 780 R CB -0.345 30.017 30.300 0.104 0.000 1.121 780 R HN 0.732 nan 8.270 nan 0.000 0.486 781 I N -0.789 119.886 120.570 0.174 0.000 2.385 781 I HA 0.457 4.627 4.170 -0.000 0.000 0.294 781 I C 0.017 176.172 176.117 0.063 0.000 0.988 781 I CA -0.549 60.841 61.300 0.150 0.000 1.265 781 I CB 1.812 39.899 38.000 0.145 0.000 1.388 781 I HN 0.404 nan 8.210 nan 0.000 0.480 782 E N 7.142 127.327 120.200 -0.025 0.000 2.235 782 E HA 0.331 4.681 4.350 -0.000 0.000 0.252 782 E C -1.855 174.539 176.600 -0.344 0.000 0.886 782 E CA -0.843 55.356 56.400 -0.335 0.000 0.767 782 E CB 1.976 31.452 29.700 -0.374 0.000 1.205 782 E HN 0.791 nan 8.360 nan 0.000 0.421 783 L N 4.396 125.373 121.223 -0.411 0.000 2.360 783 L HA 0.351 4.691 4.340 -0.000 0.000 0.265 783 L C -0.549 176.070 176.870 -0.418 0.000 1.066 783 L CA -0.121 54.479 54.840 -0.400 0.000 0.929 783 L CB 0.855 42.581 42.059 -0.554 0.000 1.306 783 L HN 0.486 nan 8.230 nan 0.000 0.434 784 Q N 2.642 122.266 119.800 -0.294 0.000 2.382 784 Q HA 0.704 5.044 4.340 -0.000 0.000 0.229 784 Q C -0.334 175.636 176.000 -0.049 0.000 1.006 784 Q CA -0.217 55.465 55.803 -0.202 0.000 0.916 784 Q CB 1.152 29.792 28.738 -0.163 0.000 1.235 784 Q HN 0.819 nan 8.270 nan 0.000 0.512 785 A N 0.714 123.543 122.820 0.014 0.000 2.330 785 A HA 0.583 4.903 4.320 -0.000 0.000 0.327 785 A C -0.998 176.617 177.584 0.051 0.000 1.155 785 A CA -0.545 51.607 52.037 0.192 0.000 0.803 785 A CB 0.870 19.994 19.000 0.206 0.000 1.208 785 A HN 0.771 nan 8.150 nan 0.000 0.477 786 c N 1.362 119.950 118.600 -0.020 0.000 2.561 786 c HA 0.516 5.085 4.570 -0.000 0.000 0.319 786 c C 1.303 175.210 174.090 -0.305 0.000 1.198 786 c CA -0.392 55.828 56.329 -0.182 0.000 1.665 786 c CB 1.714 44.073 42.510 -0.252 0.000 2.258 786 c HN 1.062 nan 8.230 nan 0.000 0.493 787 N N 0.604 119.141 118.700 -0.273 0.000 2.220 787 N HA 0.099 4.839 4.740 -0.000 0.000 0.195 787 N C -0.153 175.169 175.510 -0.314 0.000 1.123 787 N CA 0.071 52.944 53.050 -0.295 0.000 0.874 787 N CB 0.286 38.615 38.487 -0.263 0.000 0.995 787 N HN 0.872 nan 8.380 nan 0.000 0.498 788 Q N -1.135 118.485 119.800 -0.300 0.000 2.617 788 Q HA 0.108 4.448 4.340 -0.000 0.000 0.270 788 Q C -1.653 174.227 176.000 -0.200 0.000 0.967 788 Q CA -0.548 55.110 55.803 -0.242 0.000 0.887 788 Q CB 0.972 29.605 28.738 -0.175 0.000 1.516 788 Q HN -0.069 nan 8.270 nan 0.000 0.395 789 D N 1.401 121.729 120.400 -0.120 0.000 2.597 789 D HA 0.035 4.675 4.640 -0.000 0.000 0.261 789 D C 1.155 177.483 176.300 0.046 0.000 1.023 789 D CA 2.253 56.271 54.000 0.031 0.000 0.927 789 D CB 0.498 41.372 40.800 0.122 0.000 1.168 789 D HN 0.674 nan 8.370 nan 0.000 0.491 790 T N -0.549 114.010 114.554 0.009 0.000 2.671 790 T HA 0.125 4.474 4.350 -0.000 0.000 0.250 790 T C -1.585 173.116 174.700 0.002 0.000 1.068 790 T CA 0.271 62.378 62.100 0.011 0.000 1.177 790 T CB -1.832 67.039 68.868 0.006 0.000 0.876 790 T HN 0.081 nan 8.240 nan 0.000 0.405 791 P HA 0.398 nan 4.420 nan 0.000 0.256 791 P C -0.478 176.815 177.300 -0.012 0.000 1.688 791 P CA 0.239 63.334 63.100 -0.008 0.000 1.162 791 P CB -0.529 31.166 31.700 -0.008 0.000 1.870 792 E N 0.591 120.785 120.200 -0.009 0.000 7.825 792 E HA -0.165 4.185 4.350 -0.000 0.000 0.465 792 E C -0.393 176.205 176.600 -0.004 0.000 0.585 792 E CA 0.608 57.003 56.400 -0.009 0.000 1.026 792 E CB -0.241 29.450 29.700 -0.015 0.000 0.978 792 E HN 0.527 nan 8.360 nan 0.000 0.265 793 E N 1.748 121.956 120.200 0.013 0.000 2.338 793 E HA 0.213 4.563 4.350 -0.000 0.000 0.272 793 E C 0.351 176.943 176.600 -0.012 0.000 1.029 793 E CA -0.204 56.213 56.400 0.029 0.000 0.872 793 E CB 0.944 30.699 29.700 0.091 0.000 1.015 793 E HN 0.109 nan 8.360 nan 0.000 0.417 794 R N 2.633 123.103 120.500 -0.050 0.000 2.275 794 R HA 0.314 4.654 4.340 -0.000 0.000 0.326 794 R C -1.180 175.073 176.300 -0.077 0.000 0.973 794 R CA -0.309 55.745 56.100 -0.076 0.000 0.854 794 R CB 0.431 30.664 30.300 -0.113 0.000 1.156 794 R HN 0.545 nan 8.270 nan 0.000 0.487 795 c N 0.906 119.474 118.600 -0.053 0.000 2.719 795 c HA 0.531 5.101 4.570 -0.000 0.000 0.327 795 c C 0.592 174.646 174.090 -0.060 0.000 1.238 795 c CA -0.654 55.651 56.329 -0.041 0.000 1.727 795 c CB 2.028 44.530 42.510 -0.014 0.000 2.256 795 c HN 0.812 nan 8.230 nan 0.000 0.489 796 S N 0.281 115.944 115.700 -0.062 0.000 2.646 796 S HA 0.441 4.911 4.470 -0.000 0.000 0.276 796 S C -0.188 174.354 174.600 -0.096 0.000 1.222 796 S CA -0.367 57.789 58.200 -0.073 0.000 1.014 796 S CB 1.205 64.365 63.200 -0.067 0.000 0.991 796 S HN 1.204 nan 8.310 nan 0.000 0.533 797 V N 4.171 124.033 119.914 -0.087 0.000 2.506 797 V HA 0.370 4.490 4.120 -0.000 0.000 0.296 797 V C 0.902 176.915 176.094 -0.135 0.000 1.004 797 V CA 0.399 62.647 62.300 -0.087 0.000 1.150 797 V CB -1.157 30.630 31.823 -0.060 0.000 0.911 797 V HN 1.214 nan 8.190 nan 0.000 0.476 798 A N 5.658 128.370 122.820 -0.181 0.000 2.536 798 A HA 0.550 4.869 4.320 -0.000 0.000 0.234 798 A C 0.647 177.987 177.584 -0.407 0.000 1.076 798 A CA 0.384 52.194 52.037 -0.378 0.000 0.769 798 A CB 0.180 18.841 19.000 -0.564 0.000 1.020 798 A HN 2.377 nan 8.150 nan 0.000 0.508 799 A N 1.174 123.658 122.820 -0.560 0.000 2.545 799 A HA 0.582 4.902 4.320 -0.000 0.000 0.300 799 A C -1.077 176.257 177.584 -0.416 0.000 1.252 799 A CA -0.416 51.389 52.037 -0.386 0.000 0.753 799 A CB 0.192 19.013 19.000 -0.298 0.000 1.144 799 A HN 0.653 nan 8.150 nan 0.000 0.457 800 Y N 1.398 121.634 120.300 -0.106 0.000 2.393 800 Y HA 0.474 5.024 4.550 -0.000 0.000 0.338 800 Y C 0.656 176.524 175.900 -0.053 0.000 1.029 800 Y CA 0.207 58.260 58.100 -0.078 0.000 1.239 800 Y CB 1.205 39.623 38.460 -0.069 0.000 1.170 800 Y HN 0.493 nan 8.280 nan 0.000 0.515 801 V N 2.363 122.333 119.914 0.092 0.000 3.105 801 V HA 0.894 5.014 4.120 -0.000 0.000 0.311 801 V C -1.073 175.075 176.094 0.091 0.000 1.287 801 V CA -0.268 62.076 62.300 0.074 0.000 1.066 801 V CB 2.559 34.406 31.823 0.040 0.000 1.105 801 V HN 0.867 nan 8.190 nan 0.000 0.462 802 S N 0.660 116.407 115.700 0.078 0.000 2.633 802 S HA 0.947 5.416 4.470 -0.000 0.000 0.271 802 S C -0.836 173.805 174.600 0.068 0.000 1.112 802 S CA -0.015 58.240 58.200 0.091 0.000 0.828 802 S CB 0.976 64.230 63.200 0.090 0.000 1.086 802 S HN 2.544 nan 8.310 nan 0.000 0.461 803 A N 0.808 123.673 122.820 0.076 0.000 2.483 803 A HA 0.867 5.187 4.320 -0.000 0.000 0.294 803 A C -1.547 176.041 177.584 0.007 0.000 1.077 803 A CA -0.844 51.211 52.037 0.031 0.000 0.633 803 A CB 1.093 20.106 19.000 0.022 0.000 1.318 803 A HN 1.087 nan 8.150 nan 0.000 0.455 804 R N 0.519 120.978 120.500 -0.070 0.000 2.534 804 R HA 0.616 4.956 4.340 -0.000 0.000 0.301 804 R C -0.285 175.891 176.300 -0.207 0.000 0.961 804 R CA 0.357 56.355 56.100 -0.170 0.000 0.871 804 R CB 1.551 31.698 30.300 -0.256 0.000 1.170 804 R HN 1.069 nan 8.270 nan 0.000 0.446 805 T N 1.632 116.081 114.554 -0.176 0.000 2.899 805 T HA 0.253 4.603 4.350 -0.000 0.000 0.295 805 T C 1.069 175.662 174.700 -0.178 0.000 1.033 805 T CA -0.601 61.443 62.100 -0.093 0.000 1.084 805 T CB 0.823 69.716 68.868 0.042 0.000 0.979 805 T HN 0.497 nan 8.240 nan 0.000 0.532 806 M N 2.702 122.260 119.600 -0.070 0.000 2.198 806 M HA 0.176 4.656 4.480 -0.000 0.000 0.292 806 M C -1.647 174.749 176.300 0.160 0.000 1.150 806 M CA -1.266 54.023 55.300 -0.018 0.000 1.168 806 M CB 0.013 32.630 32.600 0.028 0.000 1.388 806 M HN 0.551 nan 8.290 nan 0.000 0.447 807 P HA 0.166 nan 4.420 nan 0.000 0.285 807 P C -0.288 177.173 177.300 0.269 0.000 1.372 807 P CA 0.309 63.683 63.100 0.457 0.000 0.764 807 P CB 0.401 32.309 31.700 0.347 0.000 1.744 808 E N -3.367 116.925 120.200 0.153 0.000 2.370 808 E HA 0.451 4.801 4.350 -0.000 0.000 0.291 808 E C -1.590 175.026 176.600 0.027 0.000 1.090 808 E CA 0.096 56.531 56.400 0.058 0.000 2.218 808 E CB -0.729 28.950 29.700 -0.035 0.000 2.175 808 E HN 0.257 nan 8.360 nan 0.000 1.177 809 A N 0.874 123.707 122.820 0.023 0.000 2.522 809 A HA 0.559 4.879 4.320 -0.000 0.000 0.290 809 A C -1.776 175.826 177.584 0.029 0.000 1.047 809 A CA -0.643 51.403 52.037 0.016 0.000 0.935 809 A CB 1.304 20.308 19.000 0.007 0.000 1.451 809 A HN 0.029 nan 8.150 nan 0.000 0.398 810 K N 1.680 122.095 120.400 0.024 0.000 2.414 810 K HA 0.760 5.080 4.320 -0.000 0.000 0.251 810 K C 0.188 176.814 176.600 0.043 0.000 1.037 810 K CA 0.352 56.663 56.287 0.041 0.000 0.980 810 K CB 1.180 33.695 32.500 0.024 0.000 1.280 810 K HN 0.942 nan 8.250 nan 0.000 0.451 811 A N 1.950 124.805 122.820 0.057 0.000 3.988 811 A HA 0.769 5.088 4.320 -0.000 0.000 0.178 811 A C -0.814 176.813 177.584 0.073 0.000 0.740 811 A CA -0.020 52.052 52.037 0.058 0.000 0.806 811 A CB 0.805 19.833 19.000 0.047 0.000 1.517 811 A HN 0.472 nan 8.150 nan 0.000 0.811 812 D N -2.019 118.418 120.400 0.062 0.000 3.057 812 D HA 0.525 5.165 4.640 -0.000 0.000 0.328 812 D C -2.365 173.966 176.300 0.052 0.000 1.317 812 D CA 0.538 54.578 54.000 0.066 0.000 0.973 812 D CB 1.544 42.388 40.800 0.074 0.000 1.424 812 D HN 0.644 nan 8.370 nan 0.000 0.569 813 D N 0.357 120.789 120.400 0.054 0.000 2.192 813 D HA 0.431 5.071 4.640 -0.000 0.000 0.200 813 D C -0.339 175.991 176.300 0.049 0.000 1.281 813 D CA -0.496 53.531 54.000 0.045 0.000 0.895 813 D CB 0.153 40.978 40.800 0.042 0.000 1.643 813 D HN 0.631 nan 8.370 nan 0.000 0.510 814 I N 0.627 121.222 120.570 0.042 0.000 8.749 814 I HA -0.228 3.942 4.170 -0.000 0.000 0.126 814 I C -0.627 175.529 176.117 0.066 0.000 1.862 814 I CA 0.077 61.405 61.300 0.047 0.000 2.037 814 I CB -0.065 37.964 38.000 0.047 0.000 3.889 814 I HN 0.413 nan 8.210 nan 0.000 0.169 815 V N 3.511 123.463 119.914 0.063 0.000 5.259 815 V HA 0.792 4.912 4.120 -0.000 0.000 0.124 815 V C 0.703 176.860 176.094 0.105 0.000 0.982 815 V CA 0.429 62.780 62.300 0.086 0.000 1.320 815 V CB -0.073 31.759 31.823 0.015 0.000 2.066 815 V HN 2.080 nan 8.190 nan 0.000 0.512 816 G N 2.218 111.071 108.800 0.088 0.000 3.399 816 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.685 816 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.685 816 G C -1.958 173.037 174.900 0.158 0.000 0.952 816 G CA -0.311 44.858 45.100 0.115 0.000 0.793 816 G HN 0.464 nan 8.290 nan 0.000 0.492 817 P HA 0.162 nan 4.420 nan 0.000 0.239 817 P C 1.113 178.559 177.300 0.244 0.000 1.359 817 P CA 1.327 64.605 63.100 0.298 0.000 0.916 817 P CB 0.185 32.087 31.700 0.337 0.000 0.824 818 V N -4.107 115.939 119.914 0.219 0.000 7.037 818 V HA -0.099 4.020 4.120 -0.000 0.000 0.382 818 V C -0.332 175.896 176.094 0.224 0.000 0.633 818 V CA 0.152 62.541 62.300 0.148 0.000 1.144 818 V CB -2.243 29.622 31.823 0.070 0.000 0.380 818 V HN 0.442 nan 8.190 nan 0.000 0.852 819 T N 2.078 116.750 114.554 0.197 0.000 2.891 819 T HA 0.060 4.410 4.350 -0.000 0.000 0.258 819 T C 1.383 176.188 174.700 0.175 0.000 0.942 819 T CA 0.294 62.510 62.100 0.193 0.000 1.200 819 T CB -0.167 68.757 68.868 0.093 0.000 0.922 819 T HN 0.619 nan 8.240 nan 0.000 0.585 820 H N 2.436 121.560 119.070 0.089 0.000 2.550 820 H HA -0.114 4.442 4.556 -0.000 0.000 0.292 820 H C 0.954 176.292 175.328 0.015 0.000 1.072 820 H CA 0.550 56.628 56.048 0.050 0.000 1.217 820 H CB 0.186 29.994 29.762 0.077 0.000 1.355 820 H HN 0.696 nan 8.280 nan 0.000 0.586 821 E N 0.692 120.971 120.200 0.131 0.000 2.173 821 E HA -0.222 4.128 4.350 -0.000 0.000 0.160 821 E C 0.126 176.791 176.600 0.108 0.000 1.581 821 E CA -0.126 56.322 56.400 0.080 0.000 0.618 821 E CB -0.836 28.883 29.700 0.031 0.000 1.049 821 E HN 0.337 nan 8.360 nan 0.000 0.311 822 I N 3.286 123.945 120.570 0.148 0.000 3.552 822 I HA -0.213 3.957 4.170 -0.000 0.000 0.332 822 I C 0.911 177.209 176.117 0.301 0.000 1.091 822 I CA 1.200 62.619 61.300 0.199 0.000 2.812 822 I CB -1.942 36.147 38.000 0.148 0.000 1.832 822 I HN 0.590 nan 8.210 nan 0.000 1.324 823 F N 1.657 121.652 119.950 0.075 0.000 2.742 823 F HA -0.431 4.096 4.527 -0.000 0.000 0.470 823 F C 1.608 177.435 175.800 0.045 0.000 0.557 823 F CA 1.996 60.028 58.000 0.053 0.000 0.930 823 F CB -0.788 38.238 39.000 0.044 0.000 1.616 823 F HN 0.551 nan 8.300 nan 0.000 0.271 824 E N -1.316 118.997 120.200 0.189 0.000 2.701 824 E HA 0.254 4.604 4.350 -0.000 0.000 0.201 824 E C 0.667 177.314 176.600 0.077 0.000 0.961 824 E CA 0.983 57.454 56.400 0.118 0.000 1.659 824 E CB 0.230 29.997 29.700 0.112 0.000 1.970 824 E HN 0.470 nan 8.360 nan 0.000 1.021 825 N N -2.287 116.463 118.700 0.083 0.000 2.922 825 N HA -0.019 4.720 4.740 -0.000 0.000 0.352 825 N C -0.492 175.058 175.510 0.066 0.000 1.015 825 N CA 0.259 53.341 53.050 0.052 0.000 1.684 825 N CB -0.676 37.815 38.487 0.006 0.000 2.140 825 N HN 0.002 nan 8.380 nan 0.000 1.751 826 N N 0.304 119.030 118.700 0.043 0.000 1.268 826 N HA -0.261 4.478 4.740 -0.000 0.000 0.142 826 N C -0.105 175.452 175.510 0.079 0.000 0.425 826 N CA 1.660 54.743 53.050 0.055 0.000 1.060 826 N CB -1.326 37.194 38.487 0.055 0.000 1.440 826 N HN 0.382 nan 8.380 nan 0.000 0.445 827 V N 0.600 120.561 119.914 0.079 0.000 2.902 827 V HA 0.138 4.258 4.120 -0.000 0.000 0.297 827 V C 0.358 176.534 176.094 0.137 0.000 1.230 827 V CA 1.130 63.474 62.300 0.073 0.000 1.344 827 V CB 0.224 32.037 31.823 -0.017 0.000 0.889 827 V HN 0.483 nan 8.190 nan 0.000 0.515 828 V N 6.965 126.996 119.914 0.195 0.000 2.944 828 V HA 0.326 4.446 4.120 -0.000 0.000 0.259 828 V C 0.270 176.600 176.094 0.393 0.000 0.849 828 V CA -0.600 61.890 62.300 0.317 0.000 0.976 828 V CB 0.458 32.481 31.823 0.334 0.000 0.997 828 V HN 1.203 nan 8.190 nan 0.000 0.498 829 H N 3.251 122.486 119.070 0.275 0.000 2.662 829 H HA 0.141 4.697 4.556 -0.000 0.000 0.407 829 H C -0.493 174.981 175.328 0.242 0.000 2.032 829 H CA 2.023 58.215 56.048 0.241 0.000 1.414 829 H CB 0.631 30.555 29.762 0.269 0.000 1.495 829 H HN 0.687 nan 8.280 nan 0.000 0.502 830 L N 1.685 123.200 121.223 0.487 0.000 3.481 830 L HA 0.153 4.493 4.340 -0.000 0.000 0.267 830 L C -1.544 175.642 176.870 0.527 0.000 0.972 830 L CA -0.112 54.941 54.840 0.355 0.000 1.150 830 L CB 0.701 42.826 42.059 0.109 0.000 1.902 830 L HN 0.538 nan 8.230 nan 0.000 0.561 831 M N 3.872 123.755 119.600 0.472 0.000 2.662 831 M HA 0.707 5.187 4.480 -0.000 0.000 0.310 831 M C -1.053 175.584 176.300 0.561 0.000 1.204 831 M CA -0.294 55.264 55.300 0.430 0.000 0.891 831 M CB 2.127 34.847 32.600 0.201 0.000 1.732 831 M HN 0.664 nan 8.290 nan 0.000 0.467 832 W N -0.890 120.383 121.300 -0.046 0.000 2.798 832 W HA 0.530 5.190 4.660 -0.000 0.000 0.434 832 W C -2.142 174.308 176.519 -0.115 0.000 1.055 832 W CA -0.849 56.439 57.345 -0.094 0.000 1.205 832 W CB 0.818 30.192 29.460 -0.144 0.000 1.460 832 W HN 0.316 nan 8.180 nan 0.000 0.609 833 Q N 2.147 121.935 119.800 -0.020 0.000 2.339 833 Q HA 0.170 4.510 4.340 -0.000 0.000 0.268 833 Q C -0.928 175.006 176.000 -0.109 0.000 1.027 833 Q CA -0.790 54.955 55.803 -0.097 0.000 0.759 833 Q CB 1.868 30.609 28.738 0.005 0.000 1.244 833 Q HN 0.613 nan 8.270 nan 0.000 0.464 834 E N 4.726 124.821 120.200 -0.175 0.000 2.606 834 E HA -0.040 4.310 4.350 -0.000 0.000 0.248 834 E C -1.481 175.142 176.600 0.039 0.000 1.005 834 E CA -0.901 55.463 56.400 -0.059 0.000 0.946 834 E CB 0.648 30.312 29.700 -0.059 0.000 0.928 834 E HN 0.208 nan 8.360 nan 0.000 0.494 835 P HA -0.211 nan 4.420 nan 0.000 0.247 835 P C -0.237 177.124 177.300 0.102 0.000 1.215 835 P CA 0.679 63.845 63.100 0.111 0.000 0.752 835 P CB 0.005 31.793 31.700 0.147 0.000 0.927 836 K N -2.609 117.846 120.400 0.092 0.000 10.883 836 K HA -0.212 4.107 4.320 -0.000 0.000 0.526 836 K C 0.256 176.923 176.600 0.113 0.000 0.382 836 K CA 1.589 57.929 56.287 0.088 0.000 1.943 836 K CB -1.887 30.655 32.500 0.070 0.000 0.766 836 K HN 0.266 nan 8.250 nan 0.000 1.214 837 E N 2.585 122.862 120.200 0.128 0.000 2.063 837 E HA 0.387 4.737 4.350 -0.000 0.000 0.265 837 E C -2.406 174.312 176.600 0.197 0.000 0.919 837 E CA -1.869 54.635 56.400 0.173 0.000 0.756 837 E CB 1.641 31.471 29.700 0.216 0.000 1.120 837 E HN 0.193 nan 8.360 nan 0.000 0.414 838 P HA 0.308 nan 4.420 nan 0.000 0.285 838 P C -0.639 176.676 177.300 0.024 0.000 1.285 838 P CA -0.888 62.275 63.100 0.105 0.000 0.854 838 P CB 0.881 32.646 31.700 0.108 0.000 1.180 839 N N 0.392 119.075 118.700 -0.028 0.000 2.549 839 N HA 0.319 5.059 4.740 -0.000 0.000 0.267 839 N C 1.258 176.690 175.510 -0.130 0.000 1.182 839 N CA 0.636 53.612 53.050 -0.124 0.000 1.019 839 N CB -0.455 37.843 38.487 -0.315 0.000 1.380 839 N HN 0.704 nan 8.380 nan 0.000 0.505 840 G N 1.892 110.642 108.800 -0.084 0.000 5.206 840 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.328 840 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.328 840 G C -0.100 174.770 174.900 -0.051 0.000 1.382 840 G CA -0.003 45.075 45.100 -0.036 0.000 0.994 840 G HN 0.428 nan 8.290 nan 0.000 0.800 841 L N 0.012 121.207 121.223 -0.047 0.000 2.409 841 L HA 0.709 5.049 4.340 -0.000 0.000 0.262 841 L C -0.977 175.911 176.870 0.029 0.000 0.992 841 L CA -1.082 53.734 54.840 -0.041 0.000 0.817 841 L CB 2.099 44.113 42.059 -0.074 0.000 1.350 841 L HN 0.471 nan 8.230 nan 0.000 0.411 842 I N 2.437 123.124 120.570 0.196 0.000 2.359 842 I HA 0.281 4.450 4.170 -0.000 0.000 0.294 842 I C 0.387 176.567 176.117 0.105 0.000 0.987 842 I CA 0.074 61.458 61.300 0.141 0.000 1.225 842 I CB 1.719 39.823 38.000 0.173 0.000 1.366 842 I HN 0.426 nan 8.210 nan 0.000 0.466 843 V N 6.315 126.180 119.914 -0.081 0.000 2.948 843 V HA 0.453 4.572 4.120 -0.000 0.000 0.234 843 V C -0.329 175.608 176.094 -0.261 0.000 1.205 843 V CA 0.437 62.687 62.300 -0.083 0.000 1.234 843 V CB 0.136 31.916 31.823 -0.072 0.000 1.020 843 V HN 0.635 nan 8.190 nan 0.000 0.491 844 L N -0.708 120.266 121.223 -0.415 0.000 2.493 844 L HA 0.773 5.113 4.340 -0.000 0.000 0.265 844 L C -1.386 175.230 176.870 -0.425 0.000 0.954 844 L CA -1.176 53.300 54.840 -0.606 0.000 0.844 844 L CB 1.172 42.899 42.059 -0.554 0.000 1.302 844 L HN 0.184 nan 8.230 nan 0.000 0.405 845 Y N -0.031 120.264 120.300 -0.009 0.000 2.320 845 Y HA 0.580 5.130 4.550 -0.000 0.000 0.334 845 Y C 0.290 176.192 175.900 0.003 0.000 1.055 845 Y CA -0.516 57.628 58.100 0.073 0.000 1.143 845 Y CB 1.379 40.029 38.460 0.317 0.000 1.193 845 Y HN 0.619 nan 8.280 nan 0.000 0.477 846 E N 2.776 123.039 120.200 0.105 0.000 2.081 846 E HA 0.352 4.702 4.350 -0.000 0.000 0.281 846 E C -1.224 175.395 176.600 0.032 0.000 0.986 846 E CA -0.528 55.922 56.400 0.083 0.000 0.796 846 E CB 1.161 30.896 29.700 0.058 0.000 1.085 846 E HN 0.428 nan 8.360 nan 0.000 0.398 847 V N 3.314 123.179 119.914 -0.082 0.000 2.385 847 V HA 0.112 4.232 4.120 -0.000 0.000 0.269 847 V C 0.570 176.488 176.094 -0.294 0.000 1.043 847 V CA -0.264 61.870 62.300 -0.276 0.000 0.906 847 V CB 1.099 32.661 31.823 -0.435 0.000 0.995 847 V HN 0.512 nan 8.190 nan 0.000 0.467 848 S N 4.818 120.389 115.700 -0.214 0.000 2.713 848 S HA 0.853 5.323 4.470 -0.000 0.000 0.277 848 S C -0.770 173.751 174.600 -0.133 0.000 1.168 848 S CA -0.345 57.773 58.200 -0.136 0.000 0.994 848 S CB 0.959 64.088 63.200 -0.118 0.000 1.054 848 S HN 0.830 nan 8.310 nan 0.000 0.555 849 Y N -1.613 118.574 120.300 -0.188 0.000 2.841 849 Y HA 0.565 5.115 4.550 -0.000 0.000 0.373 849 Y C -0.904 174.902 175.900 -0.156 0.000 1.170 849 Y CA -1.588 56.394 58.100 -0.196 0.000 1.196 849 Y CB 0.479 38.802 38.460 -0.227 0.000 1.433 849 Y HN 0.517 nan 8.280 nan 0.000 0.479 850 R N 0.669 121.137 120.500 -0.053 0.000 3.041 850 R HA 0.631 4.971 4.340 -0.000 0.000 0.254 850 R C -1.371 174.966 176.300 0.062 0.000 1.244 850 R CA -1.420 54.653 56.100 -0.046 0.000 1.023 850 R CB 1.375 31.678 30.300 0.005 0.000 1.332 850 R HN 0.824 nan 8.270 nan 0.000 0.463 851 R N -0.467 120.037 120.500 0.007 0.000 1.003 851 R HA -0.135 4.205 4.340 -0.000 0.000 0.430 851 R C -0.488 175.620 176.300 -0.320 0.000 1.337 851 R CA 0.782 56.755 56.100 -0.213 0.000 0.854 851 R CB -1.991 28.140 30.300 -0.282 0.000 2.862 851 R HN 0.845 nan 8.270 nan 0.000 0.516 852 Y N -2.064 118.276 120.300 0.067 0.000 2.820 852 Y HA -0.371 4.179 4.550 -0.000 0.000 0.471 852 Y C 1.240 177.145 175.900 0.009 0.000 1.152 852 Y CA 1.550 59.670 58.100 0.033 0.000 2.705 852 Y CB -1.813 36.664 38.460 0.029 0.000 1.167 852 Y HN 1.018 nan 8.280 nan 0.000 0.617 853 G N 0.877 109.804 108.800 0.213 0.000 2.482 853 G HA2 0.552 4.512 3.960 -0.000 0.000 0.317 853 G HA3 0.552 4.512 3.960 -0.000 0.000 0.317 853 G C -1.391 173.529 174.900 0.032 0.000 1.241 853 G CA -0.142 45.010 45.100 0.088 0.000 0.967 853 G HN 0.580 nan 8.290 nan 0.000 0.482 854 D N 1.060 121.470 120.400 0.016 0.000 2.639 854 D HA 0.200 4.840 4.640 -0.000 0.000 0.233 854 D C -0.092 176.222 176.300 0.022 0.000 1.161 854 D CA -0.418 53.584 54.000 0.002 0.000 1.003 854 D CB 0.781 41.582 40.800 0.002 0.000 1.034 854 D HN 0.393 nan 8.370 nan 0.000 0.514 855 E N 0.086 120.294 120.200 0.012 0.000 2.277 855 E HA 0.491 4.841 4.350 -0.000 0.000 0.274 855 E C -0.447 176.275 176.600 0.203 0.000 1.022 855 E CA -0.877 55.564 56.400 0.067 0.000 0.853 855 E CB 0.783 30.493 29.700 0.017 0.000 1.086 855 E HN 0.027 nan 8.360 nan 0.000 0.397 856 E N 1.308 121.576 120.200 0.113 0.000 2.222 856 E HA 0.568 4.918 4.350 -0.000 0.000 0.272 856 E C -0.575 175.940 176.600 -0.141 0.000 0.982 856 E CA -0.555 55.859 56.400 0.024 0.000 0.842 856 E CB 1.224 30.972 29.700 0.080 0.000 1.144 856 E HN 0.449 nan 8.360 nan 0.000 0.397 857 L N 2.868 123.921 121.223 -0.284 0.000 2.470 857 L HA 0.274 4.614 4.340 -0.000 0.000 0.256 857 L C -0.607 176.089 176.870 -0.290 0.000 1.357 857 L CA -0.477 54.156 54.840 -0.345 0.000 0.902 857 L CB -0.115 41.842 42.059 -0.169 0.000 1.121 857 L HN 0.679 nan 8.230 nan 0.000 0.507 858 H N 1.291 120.333 119.070 -0.048 0.000 3.014 858 H HA 0.721 5.277 4.556 -0.000 0.000 0.152 858 H C -0.193 175.103 175.328 -0.053 0.000 1.504 858 H CA -0.470 55.544 56.048 -0.057 0.000 1.589 858 H CB 0.258 29.969 29.762 -0.084 0.000 1.313 858 H HN 0.192 nan 8.280 nan 0.000 0.770 859 L N -1.735 119.551 121.223 0.106 0.000 2.710 859 L HA 0.368 4.708 4.340 -0.000 0.000 0.260 859 L C -0.333 176.370 176.870 -0.279 0.000 0.993 859 L CA -0.429 54.283 54.840 -0.213 0.000 0.877 859 L CB 2.351 43.889 42.059 -0.869 0.000 1.461 859 L HN 0.965 nan 8.230 nan 0.000 0.413 860 c N -3.323 115.123 118.600 -0.257 0.000 3.363 860 c HA 0.236 4.806 4.570 -0.000 0.000 0.539 860 c C 0.783 174.806 174.090 -0.112 0.000 1.240 860 c CA 0.658 56.878 56.329 -0.182 0.000 2.560 860 c CB -0.085 42.370 42.510 -0.092 0.000 3.458 860 c HN 0.905 nan 8.230 nan 0.000 0.472 861 D N 2.124 122.521 120.400 -0.004 0.000 2.046 861 D HA 0.249 4.889 4.640 -0.000 0.000 0.249 861 D C -0.040 176.311 176.300 0.085 0.000 1.228 861 D CA 0.782 54.821 54.000 0.064 0.000 0.956 861 D CB -0.376 40.495 40.800 0.118 0.000 1.278 861 D HN 0.446 nan 8.370 nan 0.000 0.528 862 T N -1.808 112.807 114.554 0.102 0.000 2.903 862 T HA 0.578 4.927 4.350 -0.000 0.000 0.299 862 T C -0.410 174.334 174.700 0.073 0.000 1.093 862 T CA -0.472 61.672 62.100 0.073 0.000 1.002 862 T CB 1.648 70.537 68.868 0.036 0.000 1.127 862 T HN 0.371 nan 8.240 nan 0.000 0.488 863 R N 1.019 121.554 120.500 0.057 0.000 4.513 863 R HA 0.215 4.555 4.340 -0.000 0.000 0.250 863 R C -0.167 176.149 176.300 0.025 0.000 0.900 863 R CA -0.598 55.525 56.100 0.039 0.000 0.654 863 R CB -0.416 29.913 30.300 0.049 0.000 2.010 863 R HN 0.511 nan 8.270 nan 0.000 0.380 864 K N 0.255 120.664 120.400 0.015 0.000 2.391 864 K HA 0.244 4.564 4.320 -0.000 0.000 0.197 864 K C -0.484 176.089 176.600 -0.046 0.000 1.087 864 K CA 0.428 56.692 56.287 -0.038 0.000 1.012 864 K CB 0.647 33.097 32.500 -0.083 0.000 0.925 864 K HN 0.423 nan 8.250 nan 0.000 0.547 865 H N -0.513 118.572 119.070 0.026 0.000 2.840 865 H HA 0.108 4.664 4.556 -0.000 0.000 0.340 865 H C -1.433 173.927 175.328 0.054 0.000 1.004 865 H CA -1.022 55.048 56.048 0.036 0.000 1.288 865 H CB 1.206 30.983 29.762 0.024 0.000 1.607 865 H HN -0.039 nan 8.280 nan 0.000 0.522 866 F N 3.128 123.119 119.950 0.069 0.000 2.602 866 F HA 0.161 4.688 4.527 -0.000 0.000 0.367 866 F C 0.444 176.242 175.800 -0.003 0.000 1.126 866 F CA -0.483 57.511 58.000 -0.010 0.000 1.321 866 F CB 0.525 39.468 39.000 -0.094 0.000 1.094 866 F HN 0.595 nan 8.300 nan 0.000 0.594 867 A N 8.505 130.733 122.820 -0.985 0.000 3.029 867 A HA 0.184 4.504 4.320 -0.000 0.000 0.251 867 A C 1.463 178.444 177.584 -1.004 0.000 1.749 867 A CA 0.199 51.762 52.037 -0.789 0.000 1.386 867 A CB -1.368 17.367 19.000 -0.441 0.000 1.043 867 A HN 1.066 nan 8.150 nan 0.000 0.638 868 L N 0.151 120.908 121.223 -0.776 0.000 1.932 868 L HA -0.203 4.137 4.340 -0.000 0.000 0.217 868 L C 1.760 178.494 176.870 -0.227 0.000 1.077 868 L CA 2.626 57.331 54.840 -0.227 0.000 0.765 868 L CB -0.186 41.932 42.059 0.098 0.000 0.888 868 L HN 0.649 nan 8.230 nan 0.000 0.433 869 E N -1.402 118.678 120.200 -0.199 0.000 4.005 869 E HA -0.306 4.044 4.350 -0.000 0.000 0.349 869 E C 1.120 177.650 176.600 -0.116 0.000 0.635 869 E CA 1.623 57.931 56.400 -0.153 0.000 1.238 869 E CB -0.631 28.973 29.700 -0.161 0.000 1.698 869 E HN 0.699 nan 8.360 nan 0.000 0.418 870 R N -0.831 119.590 120.500 -0.131 0.000 2.729 870 R HA 0.276 4.616 4.340 -0.000 0.000 0.215 870 R C 0.793 177.047 176.300 -0.078 0.000 0.970 870 R CA 1.311 57.378 56.100 -0.056 0.000 1.196 870 R CB 0.480 30.787 30.300 0.012 0.000 1.670 870 R HN 0.443 nan 8.270 nan 0.000 0.575 871 G N 1.170 109.793 108.800 -0.295 0.000 2.690 871 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 871 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 871 G C -0.084 174.741 174.900 -0.125 0.000 1.277 871 G CA -0.500 44.333 45.100 -0.445 0.000 0.799 871 G HN 0.432 nan 8.290 nan 0.000 0.613 872 C N 1.279 120.700 119.300 0.202 0.000 2.370 872 C HA 0.941 5.401 4.460 -0.000 0.000 0.354 872 C C 1.163 176.093 174.990 -0.100 0.000 1.218 872 C CA -1.022 58.072 59.018 0.126 0.000 2.154 872 C CB 1.028 28.955 27.740 0.312 0.000 2.391 872 C HN 1.043 nan 8.230 nan 0.000 0.540 873 R N 0.996 121.411 120.500 -0.142 0.000 2.542 873 R HA 0.667 5.007 4.340 -0.000 0.000 0.227 873 R C -0.441 175.866 176.300 0.012 0.000 1.257 873 R CA -0.632 55.393 56.100 -0.125 0.000 1.053 873 R CB 0.110 30.337 30.300 -0.121 0.000 1.463 873 R HN 0.814 nan 8.270 nan 0.000 0.550 874 L N 0.944 122.215 121.223 0.080 0.000 2.512 874 L HA 0.233 4.573 4.340 -0.000 0.000 0.291 874 L C -0.731 176.238 176.870 0.164 0.000 1.360 874 L CA -0.237 54.698 54.840 0.158 0.000 0.655 874 L CB 0.797 43.025 42.059 0.282 0.000 0.968 874 L HN 0.412 nan 8.230 nan 0.000 0.517 875 R N 0.290 120.848 120.500 0.095 0.000 2.705 875 R HA 0.137 4.476 4.340 -0.000 0.000 0.264 875 R C 1.240 177.592 176.300 0.087 0.000 0.988 875 R CA 1.368 57.513 56.100 0.075 0.000 1.103 875 R CB 0.201 30.527 30.300 0.043 0.000 0.950 875 R HN 0.430 nan 8.270 nan 0.000 0.427 876 G N 2.853 111.696 108.800 0.071 0.000 2.158 876 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 876 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 876 G C 0.209 175.157 174.900 0.079 0.000 0.811 876 G CA 0.208 45.346 45.100 0.063 0.000 1.178 876 G HN 0.376 nan 8.290 nan 0.000 0.389 877 L N -0.104 121.188 121.223 0.116 0.000 2.739 877 L HA 0.535 4.875 4.340 -0.000 0.000 0.175 877 L C 0.868 177.811 176.870 0.121 0.000 1.140 877 L CA -0.203 54.729 54.840 0.154 0.000 1.033 877 L CB 0.590 42.822 42.059 0.288 0.000 1.834 877 L HN 0.344 nan 8.230 nan 0.000 0.498 878 S N -0.067 115.748 115.700 0.191 0.000 2.737 878 S HA 0.301 4.771 4.470 -0.000 0.000 0.269 878 S C -2.500 172.137 174.600 0.061 0.000 1.150 878 S CA -0.907 57.358 58.200 0.109 0.000 1.077 878 S CB 1.267 64.526 63.200 0.097 0.000 1.075 878 S HN 0.322 nan 8.310 nan 0.000 0.476 879 P HA 0.089 nan 4.420 nan 0.000 0.257 879 P C 0.480 177.612 177.300 -0.280 0.000 1.092 879 P CA 1.461 64.432 63.100 -0.215 0.000 0.756 879 P CB -0.283 31.351 31.700 -0.110 0.000 0.669 880 G N 1.826 110.254 108.800 -0.620 0.000 2.356 880 G HA2 0.231 4.191 3.960 -0.000 0.000 0.288 880 G HA3 0.231 4.191 3.960 -0.000 0.000 0.288 880 G C -1.638 172.816 174.900 -0.742 0.000 1.302 880 G CA -0.715 44.031 45.100 -0.591 0.000 0.887 880 G HN 0.521 nan 8.290 nan 0.000 0.521 881 N N 0.108 118.637 118.700 -0.285 0.000 2.626 881 N HA 0.593 5.333 4.740 -0.000 0.000 0.242 881 N C -1.298 174.252 175.510 0.066 0.000 1.005 881 N CA -0.437 52.648 53.050 0.058 0.000 0.905 881 N CB 0.341 38.971 38.487 0.238 0.000 1.128 881 N HN 0.368 nan 8.380 nan 0.000 0.512 882 Y N -0.069 120.399 120.300 0.279 0.000 2.403 882 Y HA 0.358 4.908 4.550 -0.000 0.000 0.323 882 Y C 0.899 177.009 175.900 0.350 0.000 1.226 882 Y CA -1.476 56.809 58.100 0.309 0.000 1.235 882 Y CB 1.333 40.065 38.460 0.454 0.000 1.248 882 Y HN 0.305 nan 8.280 nan 0.000 0.489 883 S N 0.945 116.828 115.700 0.304 0.000 2.222 883 S HA 0.317 4.787 4.470 -0.000 0.000 0.173 883 S C -0.242 174.220 174.600 -0.231 0.000 1.466 883 S CA -0.736 57.378 58.200 -0.144 0.000 1.184 883 S CB -0.440 62.717 63.200 -0.072 0.000 1.168 883 S HN 0.555 nan 8.310 nan 0.000 0.475 884 V N 1.247 121.021 119.914 -0.234 0.000 2.999 884 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 884 V C 0.260 176.143 176.094 -0.352 0.000 1.084 884 V CA 0.058 62.180 62.300 -0.297 0.000 1.155 884 V CB 0.969 32.514 31.823 -0.463 0.000 0.975 884 V HN 0.794 nan 8.190 nan 0.000 0.490 885 R N 5.177 125.464 120.500 -0.356 0.000 2.924 885 R HA 0.395 4.735 4.340 -0.000 0.000 0.233 885 R C -0.398 175.737 176.300 -0.275 0.000 1.685 885 R CA -0.527 55.361 56.100 -0.352 0.000 1.462 885 R CB 0.246 30.275 30.300 -0.452 0.000 1.542 885 R HN 0.881 nan 8.270 nan 0.000 0.667 886 I N 1.226 121.602 120.570 -0.323 0.000 3.543 886 I HA 0.056 4.226 4.170 -0.000 0.000 0.262 886 I C 0.370 176.492 176.117 0.009 0.000 1.301 886 I CA 0.546 61.639 61.300 -0.345 0.000 1.242 886 I CB 0.318 37.814 38.000 -0.840 0.000 1.402 886 I HN 0.535 nan 8.210 nan 0.000 0.671 887 R N 1.285 121.785 120.500 -0.001 0.000 4.887 887 R HA 0.337 4.677 4.340 -0.000 0.000 0.269 887 R C -1.619 174.731 176.300 0.084 0.000 0.993 887 R CA -0.353 55.794 56.100 0.078 0.000 1.421 887 R CB 0.385 30.704 30.300 0.033 0.000 1.236 887 R HN 0.762 nan 8.270 nan 0.000 0.603 888 A N 2.334 125.254 122.820 0.167 0.000 2.304 888 A HA 0.693 5.013 4.320 -0.000 0.000 0.271 888 A C -0.406 177.191 177.584 0.020 0.000 1.091 888 A CA -0.120 52.081 52.037 0.273 0.000 0.812 888 A CB 0.978 20.252 19.000 0.456 0.000 1.056 888 A HN 0.609 nan 8.150 nan 0.000 0.489 889 T N 0.890 115.413 114.554 -0.053 0.000 2.848 889 T HA 0.662 5.012 4.350 -0.000 0.000 0.285 889 T C -0.346 174.280 174.700 -0.123 0.000 0.995 889 T CA -0.292 61.735 62.100 -0.122 0.000 0.970 889 T CB 1.298 70.067 68.868 -0.164 0.000 0.976 889 T HN 1.201 nan 8.240 nan 0.000 0.441 890 S N 2.057 117.673 115.700 -0.139 0.000 2.588 890 S HA 0.593 5.063 4.470 -0.000 0.000 0.275 890 S C -0.341 174.106 174.600 -0.255 0.000 1.130 890 S CA -1.228 56.886 58.200 -0.144 0.000 0.855 890 S CB 0.772 63.910 63.200 -0.103 0.000 1.116 890 S HN 0.732 nan 8.310 nan 0.000 0.472 891 L N 1.878 122.956 121.223 -0.242 0.000 3.153 891 L HA -0.008 4.331 4.340 -0.000 0.000 0.307 891 L C 1.012 177.437 176.870 -0.742 0.000 0.932 891 L CA 0.950 55.580 54.840 -0.349 0.000 1.069 891 L CB -1.738 40.207 42.059 -0.190 0.000 1.621 891 L HN 1.345 nan 8.230 nan 0.000 0.419 892 A N 3.084 125.547 122.820 -0.594 0.000 2.026 892 A HA 0.156 4.476 4.320 -0.000 0.000 0.259 892 A C 0.591 177.922 177.584 -0.422 0.000 1.374 892 A CA 0.457 52.185 52.037 -0.515 0.000 0.717 892 A CB -1.617 17.114 19.000 -0.448 0.000 1.187 892 A HN 1.572 nan 8.150 nan 0.000 0.296 893 G N 1.238 109.866 108.800 -0.285 0.000 1.873 893 G HA2 0.350 4.309 3.960 -0.000 0.000 0.199 893 G HA3 0.350 4.309 3.960 -0.000 0.000 0.199 893 G C -0.585 174.202 174.900 -0.188 0.000 1.821 893 G CA -0.292 44.678 45.100 -0.217 0.000 0.955 893 G HN 0.720 nan 8.290 nan 0.000 0.616 894 N N 1.794 120.383 118.700 -0.184 0.000 3.193 894 N HA 0.200 4.939 4.740 -0.000 0.000 0.312 894 N C 1.756 177.130 175.510 -0.226 0.000 1.261 894 N CA 0.909 53.826 53.050 -0.223 0.000 1.208 894 N CB 0.595 38.929 38.487 -0.255 0.000 1.471 894 N HN 0.930 nan 8.380 nan 0.000 0.548 895 G N 0.887 109.588 108.800 -0.165 0.000 3.016 895 G HA2 -0.244 3.716 3.960 -0.000 0.000 1.009 895 G HA3 -0.244 3.716 3.960 -0.000 0.000 1.009 895 G C 0.025 174.861 174.900 -0.106 0.000 0.976 895 G CA 0.153 45.186 45.100 -0.112 0.000 1.067 895 G HN 0.436 nan 8.290 nan 0.000 1.096 896 S N -1.921 113.754 115.700 -0.042 0.000 2.593 896 S HA 0.404 4.874 4.470 -0.000 0.000 0.297 896 S C -0.185 174.466 174.600 0.084 0.000 1.112 896 S CA -0.594 57.617 58.200 0.017 0.000 1.043 896 S CB 2.171 65.395 63.200 0.040 0.000 1.054 896 S HN 0.576 nan 8.310 nan 0.000 0.516 897 W N 2.981 124.260 121.300 -0.035 0.000 3.278 897 W HA 0.160 4.820 4.660 -0.000 0.000 0.308 897 W C 0.655 177.128 176.519 -0.078 0.000 1.253 897 W CA 0.660 57.971 57.345 -0.057 0.000 1.759 897 W CB -0.926 28.503 29.460 -0.053 0.000 1.093 897 W HN 1.097 nan 8.180 nan 0.000 0.648 898 T N 0.638 115.277 114.554 0.142 0.000 0.542 898 T HA -0.234 4.116 4.350 -0.000 0.000 0.774 898 T C -0.265 174.412 174.700 -0.037 0.000 0.992 898 T CA 0.034 62.153 62.100 0.031 0.000 4.076 898 T CB -0.300 68.561 68.868 -0.011 0.000 2.303 898 T HN 0.150 nan 8.240 nan 0.000 0.398 899 E N 4.059 124.235 120.200 -0.039 0.000 2.384 899 E HA 0.304 4.654 4.350 -0.000 0.000 0.266 899 E C -1.980 174.547 176.600 -0.121 0.000 1.012 899 E CA -1.849 54.515 56.400 -0.061 0.000 0.901 899 E CB 0.075 29.765 29.700 -0.018 0.000 0.967 899 E HN 0.616 nan 8.360 nan 0.000 0.435 900 P HA -0.088 nan 4.420 nan 0.000 0.257 900 P C -0.347 176.755 177.300 -0.329 0.000 1.153 900 P CA 0.771 63.671 63.100 -0.333 0.000 0.762 900 P CB 0.259 31.757 31.700 -0.337 0.000 0.743 901 T N 2.725 117.068 114.554 -0.351 0.000 2.849 901 T HA 0.439 4.789 4.350 -0.000 0.000 0.276 901 T C -0.299 174.186 174.700 -0.359 0.000 0.971 901 T CA 0.099 62.078 62.100 -0.203 0.000 0.949 901 T CB 0.350 69.149 68.868 -0.116 0.000 1.093 901 T HN 0.171 nan 8.240 nan 0.000 0.545 902 Y N -0.658 119.698 120.300 0.092 0.000 2.576 902 Y HA 0.659 5.209 4.550 -0.000 0.000 0.346 902 Y C -1.011 175.081 175.900 0.320 0.000 1.018 902 Y CA -1.307 56.898 58.100 0.175 0.000 1.050 902 Y CB 1.832 40.366 38.460 0.123 0.000 1.280 902 Y HN 0.514 nan 8.280 nan 0.000 0.474 903 F N 2.643 122.804 119.950 0.352 0.000 2.730 903 F HA 0.424 4.950 4.527 -0.000 0.000 0.335 903 F C -2.034 173.913 175.800 0.244 0.000 1.212 903 F CA -1.403 56.753 58.000 0.260 0.000 1.016 903 F CB 0.801 39.971 39.000 0.284 0.000 1.290 903 F HN 0.397 nan 8.300 nan 0.000 0.495 904 Y N 5.699 125.934 120.300 -0.108 0.000 2.442 904 Y HA 0.578 5.128 4.550 -0.000 0.000 0.344 904 Y C -0.295 175.427 175.900 -0.297 0.000 0.976 904 Y CA -0.742 57.223 58.100 -0.226 0.000 1.040 904 Y CB 1.569 39.960 38.460 -0.114 0.000 1.228 904 Y HN 0.444 nan 8.280 nan 0.000 0.451 905 V N 1.053 120.473 119.914 -0.824 0.000 4.522 905 V HA 0.683 4.803 4.120 -0.000 0.000 0.153 905 V C 0.231 176.033 176.094 -0.487 0.000 1.321 905 V CA 1.187 63.142 62.300 -0.576 0.000 1.373 905 V CB 0.149 31.654 31.823 -0.530 0.000 1.448 905 V HN 0.935 nan 8.190 nan 0.000 0.403 906 T N -4.310 109.985 114.554 -0.432 0.000 2.552 906 T HA 0.343 4.693 4.350 -0.000 0.000 0.209 906 T C -0.087 174.546 174.700 -0.110 0.000 1.253 906 T CA 0.472 62.459 62.100 -0.188 0.000 1.147 906 T CB 0.406 69.257 68.868 -0.030 0.000 2.115 906 T HN 0.920 nan 8.240 nan 0.000 0.418 907 D N -0.876 119.522 120.400 -0.004 0.000 5.586 907 D HA -0.021 4.619 4.640 -0.000 0.000 0.343 907 D C -1.609 174.796 176.300 0.175 0.000 1.926 907 D CA -0.050 53.983 54.000 0.055 0.000 0.974 907 D CB -0.601 40.228 40.800 0.048 0.000 2.062 907 D HN 0.587 nan 8.370 nan 0.000 0.632 908 Y N 1.734 122.035 120.300 0.002 0.000 2.911 908 Y HA 0.393 4.943 4.550 -0.000 0.000 0.257 908 Y C -0.512 175.396 175.900 0.013 0.000 0.920 908 Y CA -0.507 57.598 58.100 0.008 0.000 1.134 908 Y CB -0.170 38.293 38.460 0.005 0.000 1.200 908 Y HN 0.286 nan 8.280 nan 0.000 0.625 909 L N 0.000 121.203 121.223 -0.033 0.000 2.949 909 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 909 L CA 0.000 54.813 54.840 -0.045 0.000 0.813 909 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 909 L HN 0.000 nan 8.230 nan 0.000 0.502