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 1wyg_1_A DATA FIRST_RESID 3 DATA SEQUENCE ADELVFFVNG KKVVEKNADP ETTLLVYLRR KLGLCGTKLG CGEGGCGACT DATA SEQUENCE VMISKYDRLQ NKIVHFSVNA CLAPICSLHH VAVTTVEGIG NTQKLHPVQE DATA SEQUENCE RIARSHGSQC GFCTPGIVMS MYTLLRNQPE PTVEEIENAF QGNLCRCTGY DATA SEQUENCE RPILQGFRTF AKXXXXXXXX XXXXXXXXXX XXXXXXXXXP SLFNPEDFKP DATA SEQUENCE LDPTQEPIFP PELLRLKDTP QKKLRFEGER VTWIQASTME ELLDLKAQHP DATA SEQUENCE DAKLVVGNTE IGIEMKFKNM LFPLIVCPAW IPELNSVVHG PEGISFGASC DATA SEQUENCE PLSLVESVLA EEIAKLPEQK TEVFRGVMEQ LRWFAGKQVK SVASIGGNII DATA SEQUENCE TASPISDLNP VFMASGAKLT LVSRGTRRTV RMDHTFFPGY RKTLLRPEEI DATA SEQUENCE LLSIEIPYSK EGEFFSAFKQ ASRREDDIAK VTSGMRVLFK PGTIEVQELS DATA SEQUENCE LCFGGMADRT ISALKTTPKQ LSKSWNEELL QSVCAGLAEE LQLAPDAPGG DATA SEQUENCE MVEFRRTLTL SFFFKFYLTV LQKLGRADLE DMAGKLDPTF ASATLLFQKD DATA SEQUENCE PPANVQLFQE VPKDQSEEDM VGRPLPHLAA NMQASGEAVY CDDIPRYENE DATA SEQUENCE LSLRLVTSTR AHAKITSIDT SEAKKVPGFV CFLTAEDVPN SNATGLFNDE DATA SEQUENCE TVFAKDEVTC VGHIIGAVVA DTPEHAQRAA RGVKITYEDL PAIITIQDAI DATA SEQUENCE NNNSFYGSEI KIEKGDLKKG FSEADNVVSG ELYIGGQEHF YLETNCTIAV DATA SEQUENCE PKGEAGEMEL FVSTQNTMKT QSFVAKMLGV PDNRIVVRVK RMGGGFGGKE DATA SEQUENCE TRSTVVSTAL ALAAHKTGRP VRCMLDRDED MLITGGRHPF LAKYKVGFMK DATA SEQUENCE TGTVVALEVA HFSNGGNTED LSRSIMERAL FHMDNAYKIP NIRGTGRICK DATA SEQUENCE TNLPSNTAFR GFGGPQGMLI AEYWMSEVAI TCGLPAEEVR RKNMYKEGDL DATA SEQUENCE THFNQKLEGF TLPRCWDECI ASSQYLARKR EVEKFNRENR WKKRGLCIIP DATA SEQUENCE TKFGISFTLP FLNQGGALVH VYTDGSVLLT HGGTEMGQGL HTKMVQVASR DATA SEQUENCE ALKIPTSKIH ISETSTNTVP NTSPTAASAS ADLNGQGVYE ACQTILKRLE DATA SEQUENCE PFKKKKPTGP WEAWVMDAYT SAVSLSATGF YKTPNLGYSF ETNSGNPFHY DATA SEQUENCE FSYGVACSEV EIDCLTGDHK NLRTDIVMDV GSSLNPAIDI GQVEGAFVQG DATA SEQUENCE LGLFTMEELH YSPEGSLHTR GPSTYKIPAF GSIPIEFRVS LLRDCPNKRA DATA SEQUENCE IYASKAVGEP PLFLASSIFF AIKDAIRAAR AQHGDNAKQL FQLDSPATPE DATA SEQUENCE KIRNACVDQF TTLCVTXXXX XSKSWSVRI 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.470 177.584 -0.189 0.000 1.274 3 A CA 0.000 51.990 52.037 -0.079 0.000 0.836 3 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 4 D N -0.768 119.539 120.400 -0.154 0.000 2.651 4 D HA 0.222 4.862 4.640 -0.001 0.000 0.280 4 D C -0.155 176.138 176.300 -0.012 0.000 1.496 4 D CA 0.129 53.999 54.000 -0.217 0.000 0.792 4 D CB 0.286 41.018 40.800 -0.112 0.000 1.144 4 D HN 0.523 nan 8.370 nan 0.000 0.470 5 E N 1.098 121.317 120.200 0.031 0.000 2.092 5 E HA 0.315 4.665 4.350 -0.001 0.000 0.271 5 E C -1.061 175.675 176.600 0.227 0.000 0.919 5 E CA -1.042 55.440 56.400 0.138 0.000 0.760 5 E CB 1.042 30.799 29.700 0.095 0.000 1.106 5 E HN 0.161 nan 8.360 nan 0.000 0.408 6 L N 5.670 127.095 121.223 0.336 0.000 2.319 6 L HA 0.295 4.635 4.340 -0.001 0.000 0.280 6 L C -1.375 175.671 176.870 0.294 0.000 1.099 6 L CA -0.087 54.944 54.840 0.319 0.000 0.828 6 L CB 1.131 43.192 42.059 0.003 0.000 1.150 6 L HN 0.286 nan 8.230 nan 0.000 0.442 7 V N 6.839 127.068 119.914 0.525 0.000 2.638 7 V HA 0.701 4.820 4.120 -0.001 0.000 0.306 7 V C -0.476 175.814 176.094 0.327 0.000 1.052 7 V CA -0.478 61.981 62.300 0.265 0.000 0.885 7 V CB 1.252 33.230 31.823 0.258 0.000 0.999 7 V HN 0.792 nan 8.190 nan 0.000 0.424 8 F N 2.520 122.472 119.950 0.002 0.000 2.858 8 F HA 0.841 5.368 4.527 -0.001 0.000 0.319 8 F C -2.176 173.603 175.800 -0.036 0.000 1.166 8 F CA -1.406 56.658 58.000 0.108 0.000 0.899 8 F CB 1.046 40.095 39.000 0.082 0.000 1.332 8 F HN 0.267 nan 8.300 nan 0.000 0.461 9 F N 0.973 121.060 119.950 0.228 0.000 2.523 9 F HA 0.836 5.363 4.527 -0.000 0.000 0.329 9 F C -0.404 175.509 175.800 0.188 0.000 1.061 9 F CA -1.439 56.600 58.000 0.064 0.000 0.967 9 F CB 2.102 41.100 39.000 -0.004 0.000 1.218 9 F HN 0.419 nan 8.300 nan 0.000 0.480 10 V N 1.869 121.927 119.914 0.240 0.000 2.612 10 V HA 0.267 4.387 4.120 -0.001 0.000 0.301 10 V C -0.350 175.822 176.094 0.129 0.000 1.059 10 V CA -1.426 60.994 62.300 0.201 0.000 0.886 10 V CB 1.536 33.463 31.823 0.174 0.000 1.007 10 V HN 0.812 nan 8.190 nan 0.000 0.426 11 N N 3.656 122.419 118.700 0.105 0.000 2.696 11 N HA -0.260 4.480 4.740 -0.001 0.000 0.249 11 N C 1.219 176.772 175.510 0.070 0.000 1.090 11 N CA 1.894 54.980 53.050 0.060 0.000 0.716 11 N CB -0.782 37.724 38.487 0.031 0.000 1.020 11 N HN 1.589 nan 8.380 nan 0.000 0.548 12 G N -0.674 108.196 108.800 0.116 0.000 2.345 12 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.218 12 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.218 12 G C 0.035 175.064 174.900 0.214 0.000 1.058 12 G CA 0.518 45.693 45.100 0.124 0.000 0.632 12 G HN 0.551 nan 8.290 nan 0.000 0.508 13 K N 1.727 122.201 120.400 0.124 0.000 2.322 13 K HA 0.441 4.761 4.320 -0.001 0.000 0.283 13 K C 0.691 177.237 176.600 -0.090 0.000 1.042 13 K CA -0.379 55.932 56.287 0.040 0.000 0.958 13 K CB 0.533 33.026 32.500 -0.012 0.000 0.984 13 K HN 0.339 nan 8.250 nan 0.000 0.473 14 K N 2.263 122.482 120.400 -0.302 0.000 2.276 14 K HA 0.145 4.464 4.320 -0.001 0.000 0.259 14 K C -1.174 175.083 176.600 -0.572 0.000 1.001 14 K CA -0.411 55.349 56.287 -0.879 0.000 0.927 14 K CB 0.761 32.775 32.500 -0.810 0.000 0.969 14 K HN 0.302 nan 8.250 nan 0.000 0.490 15 V N 3.681 123.175 119.914 -0.700 0.000 2.567 15 V HA 0.247 4.367 4.120 -0.001 0.000 0.298 15 V C -1.137 174.654 176.094 -0.505 0.000 1.047 15 V CA -0.965 60.995 62.300 -0.566 0.000 0.880 15 V CB 1.860 33.187 31.823 -0.828 0.000 1.009 15 V HN 0.523 nan 8.190 nan 0.000 0.429 16 V N 3.608 123.355 119.914 -0.277 0.000 2.448 16 V HA 0.616 4.735 4.120 -0.001 0.000 0.295 16 V C -0.455 175.596 176.094 -0.072 0.000 1.025 16 V CA -0.592 61.618 62.300 -0.150 0.000 0.859 16 V CB 1.917 33.687 31.823 -0.089 0.000 0.988 16 V HN 0.913 nan 8.190 nan 0.000 0.431 17 E N 3.606 123.790 120.200 -0.026 0.000 2.182 17 E HA 0.417 4.766 4.350 -0.001 0.000 0.258 17 E C 0.318 176.962 176.600 0.073 0.000 0.879 17 E CA -0.355 56.069 56.400 0.039 0.000 0.754 17 E CB 1.592 31.308 29.700 0.026 0.000 1.162 17 E HN 0.530 nan 8.360 nan 0.000 0.419 18 K N 2.834 123.277 120.400 0.071 0.000 2.361 18 K HA 0.190 4.510 4.320 -0.001 0.000 0.196 18 K C -0.063 176.595 176.600 0.097 0.000 1.039 18 K CA 0.282 56.617 56.287 0.080 0.000 1.001 18 K CB 0.385 32.917 32.500 0.054 0.000 0.795 18 K HN 0.323 nan 8.250 nan 0.000 0.495 19 N N 0.973 119.729 118.700 0.093 0.000 2.703 19 N HA 0.155 4.895 4.740 -0.001 0.000 0.283 19 N C -1.293 174.269 175.510 0.087 0.000 1.851 19 N CA -0.115 52.992 53.050 0.095 0.000 0.826 19 N CB 1.490 40.021 38.487 0.072 0.000 1.239 19 N HN 0.026 nan 8.380 nan 0.000 0.495 20 A N 0.512 123.376 122.820 0.073 0.000 2.450 20 A HA 0.161 4.480 4.320 -0.001 0.000 0.255 20 A C 0.093 177.656 177.584 -0.034 0.000 1.096 20 A CA 0.146 52.155 52.037 -0.046 0.000 0.778 20 A CB 0.418 19.228 19.000 -0.318 0.000 1.031 20 A HN 0.229 nan 8.150 nan 0.000 0.494 21 D N 2.809 123.189 120.400 -0.032 0.000 2.280 21 D HA 0.406 5.046 4.640 -0.001 0.000 0.236 21 D C -1.799 174.469 176.300 -0.054 0.000 1.082 21 D CA -2.009 51.994 54.000 0.004 0.000 0.834 21 D CB 1.542 42.366 40.800 0.041 0.000 1.100 21 D HN 0.112 nan 8.370 nan 0.000 0.486 22 P HA -0.160 nan 4.420 nan 0.000 0.217 22 P C 0.299 177.627 177.300 0.047 0.000 1.148 22 P CA 1.230 64.332 63.100 0.002 0.000 0.834 22 P CB 0.244 32.109 31.700 0.275 0.000 0.783 23 E N -1.658 118.588 120.200 0.077 0.000 2.511 23 E HA 0.007 4.356 4.350 -0.001 0.000 0.196 23 E C -0.027 176.603 176.600 0.050 0.000 1.066 23 E CA 0.354 56.806 56.400 0.087 0.000 0.871 23 E CB -0.425 29.330 29.700 0.092 0.000 0.863 23 E HN 0.248 nan 8.360 nan 0.000 0.520 24 T N 1.850 116.408 114.554 0.006 0.000 2.771 24 T HA 0.163 4.513 4.350 -0.001 0.000 0.291 24 T C 0.219 174.916 174.700 -0.004 0.000 0.954 24 T CA -0.501 61.610 62.100 0.019 0.000 1.045 24 T CB 1.206 70.102 68.868 0.046 0.000 0.917 24 T HN 0.097 nan 8.240 nan 0.000 0.484 25 T N 1.561 116.138 114.554 0.038 0.000 2.837 25 T HA 0.321 4.670 4.350 -0.001 0.000 0.285 25 T C 1.337 176.069 174.700 0.053 0.000 0.984 25 T CA -0.985 61.135 62.100 0.032 0.000 1.049 25 T CB 0.955 69.861 68.868 0.063 0.000 0.947 25 T HN 0.277 nan 8.240 nan 0.000 0.472 26 L N 2.516 123.743 121.223 0.007 0.000 2.211 26 L HA -0.068 4.271 4.340 -0.001 0.000 0.216 26 L C 1.909 178.838 176.870 0.098 0.000 1.092 26 L CA 1.636 56.493 54.840 0.028 0.000 0.767 26 L CB -1.065 40.971 42.059 -0.039 0.000 0.894 26 L HN 0.826 nan 8.230 nan 0.000 0.437 27 L N -1.842 119.429 121.223 0.081 0.000 2.072 27 L HA -0.084 4.256 4.340 -0.001 0.000 0.205 27 L C 2.291 179.212 176.870 0.084 0.000 1.079 27 L CA 1.576 56.462 54.840 0.078 0.000 0.752 27 L CB -0.481 41.621 42.059 0.072 0.000 0.906 27 L HN 0.063 nan 8.230 nan 0.000 0.436 28 V N -1.273 118.695 119.914 0.090 0.000 2.453 28 V HA -0.277 3.843 4.120 -0.001 0.000 0.247 28 V C 2.213 178.355 176.094 0.081 0.000 1.048 28 V CA 1.703 64.045 62.300 0.070 0.000 1.049 28 V CB -0.750 31.108 31.823 0.059 0.000 0.672 28 V HN 0.550 nan 8.190 nan 0.000 0.457 29 Y N 0.070 120.381 120.300 0.019 0.000 2.293 29 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 29 Y C 2.136 178.058 175.900 0.038 0.000 1.137 29 Y CA 1.455 59.575 58.100 0.033 0.000 1.202 29 Y CB 0.059 38.562 38.460 0.073 0.000 0.990 29 Y HN 0.159 nan 8.280 nan 0.000 0.537 30 L N -0.961 120.381 121.223 0.197 0.000 2.095 30 L HA -0.108 4.231 4.340 -0.001 0.000 0.204 30 L C 2.351 179.239 176.870 0.029 0.000 1.080 30 L CA 1.110 56.025 54.840 0.125 0.000 0.759 30 L CB -0.337 41.791 42.059 0.114 0.000 0.914 30 L HN 0.067 nan 8.230 nan 0.000 0.439 31 R N -0.379 120.131 120.500 0.017 0.000 2.080 31 R HA 0.044 4.384 4.340 -0.001 0.000 0.222 31 R C 2.068 178.342 176.300 -0.043 0.000 1.107 31 R CA 0.674 56.769 56.100 -0.009 0.000 0.980 31 R CB 0.022 30.327 30.300 0.008 0.000 0.879 31 R HN 0.235 nan 8.270 nan 0.000 0.439 32 R N 0.021 120.484 120.500 -0.062 0.000 2.334 32 R HA 0.086 4.426 4.340 -0.001 0.000 0.212 32 R C 1.221 177.423 176.300 -0.163 0.000 0.897 32 R CA 0.396 56.441 56.100 -0.093 0.000 1.056 32 R CB 0.473 30.730 30.300 -0.071 0.000 1.046 32 R HN -0.109 nan 8.270 nan 0.000 0.513 33 K N 0.211 120.458 120.400 -0.254 0.000 2.438 33 K HA 0.259 4.579 4.320 -0.001 0.000 0.206 33 K C 0.815 177.208 176.600 -0.344 0.000 1.081 33 K CA 0.326 56.365 56.287 -0.415 0.000 1.053 33 K CB 0.795 32.752 32.500 -0.905 0.000 0.908 33 K HN 0.017 nan 8.250 nan 0.000 0.556 34 L N -1.558 119.546 121.223 -0.197 0.000 3.515 34 L HA 0.311 4.650 4.340 -0.001 0.000 0.322 34 L C 0.757 177.586 176.870 -0.069 0.000 1.225 34 L CA 0.144 54.920 54.840 -0.107 0.000 1.104 34 L CB 1.027 43.069 42.059 -0.027 0.000 1.506 34 L HN 0.257 nan 8.230 nan 0.000 0.624 35 G N 1.794 110.549 108.800 -0.075 0.000 2.269 35 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.277 35 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.277 35 G C 0.234 175.112 174.900 -0.036 0.000 1.008 35 G CA 0.340 45.405 45.100 -0.058 0.000 0.774 35 G HN 0.284 nan 8.290 nan 0.000 0.511 36 L N 0.087 121.298 121.223 -0.020 0.000 2.334 36 L HA 0.282 4.622 4.340 -0.001 0.000 0.286 36 L C 1.191 178.058 176.870 -0.006 0.000 1.108 36 L CA -0.823 54.012 54.840 -0.008 0.000 0.875 36 L CB 0.936 43.000 42.059 0.009 0.000 1.246 36 L HN 0.198 nan 8.230 nan 0.000 0.439 37 C N 2.003 121.299 119.300 -0.008 0.000 2.614 37 C HA 0.126 4.586 4.460 -0.001 0.000 0.299 37 C C 2.153 177.137 174.990 -0.010 0.000 1.293 37 C CA -0.080 58.937 59.018 -0.002 0.000 1.713 37 C CB -0.941 26.806 27.740 0.013 0.000 1.890 37 C HN 1.043 nan 8.230 nan 0.000 0.602 38 G N 0.720 109.507 108.800 -0.021 0.000 2.402 38 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.216 38 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.216 38 G C 0.795 175.643 174.900 -0.086 0.000 1.162 38 G CA 0.732 45.810 45.100 -0.038 0.000 0.777 38 G HN 0.504 nan 8.290 nan 0.000 0.539 39 T N 2.830 117.344 114.554 -0.067 0.000 2.784 39 T HA 0.326 4.675 4.350 -0.001 0.000 0.291 39 T C 0.149 174.778 174.700 -0.118 0.000 0.942 39 T CA 0.015 62.069 62.100 -0.076 0.000 1.161 39 T CB 1.042 69.896 68.868 -0.024 0.000 0.885 39 T HN 0.013 nan 8.240 nan 0.000 0.534 40 K N 2.130 122.395 120.400 -0.225 0.000 2.132 40 K HA 0.554 4.874 4.320 -0.001 0.000 0.241 40 K C -0.388 176.162 176.600 -0.083 0.000 1.000 40 K CA -1.122 54.973 56.287 -0.320 0.000 0.911 40 K CB 1.277 33.154 32.500 -1.038 0.000 1.093 40 K HN 0.422 nan 8.250 nan 0.000 0.460 41 L N -0.090 121.176 121.223 0.073 0.000 2.316 41 L HA 0.474 4.814 4.340 -0.001 0.000 0.280 41 L C 0.534 177.573 176.870 0.282 0.000 1.006 41 L CA 0.337 55.273 54.840 0.160 0.000 0.836 41 L CB 1.382 43.528 42.059 0.146 0.000 1.221 41 L HN 0.752 nan 8.230 nan 0.000 0.418 42 G N 2.105 111.053 108.800 0.247 0.000 2.781 42 G HA2 0.124 4.083 3.960 -0.001 0.000 0.208 42 G HA3 0.124 4.083 3.960 -0.001 0.000 0.208 42 G C 0.750 175.752 174.900 0.170 0.000 1.099 42 G CA 0.747 45.996 45.100 0.249 0.000 0.776 42 G HN 0.914 nan 8.290 nan 0.000 0.532 43 C N -4.000 115.423 119.300 0.204 0.000 4.914 43 C HA 0.512 4.972 4.460 -0.001 0.000 0.505 43 C C 2.052 177.216 174.990 0.291 0.000 1.350 43 C CA 0.590 59.752 59.018 0.240 0.000 2.421 43 C CB 0.079 27.988 27.740 0.282 0.000 3.334 43 C HN 1.411 nan 8.230 nan 0.000 0.512 44 G N 1.651 110.600 108.800 0.250 0.000 2.180 44 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.263 44 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.263 44 G C 0.531 175.640 174.900 0.349 0.000 0.989 44 G CA 1.258 46.523 45.100 0.276 0.000 0.692 44 G HN 0.827 nan 8.290 nan 0.000 0.526 45 E N -1.238 119.110 120.200 0.246 0.000 2.389 45 E HA 0.389 4.739 4.350 -0.001 0.000 0.199 45 E C 2.016 178.657 176.600 0.068 0.000 0.978 45 E CA 0.829 57.269 56.400 0.067 0.000 0.912 45 E CB -0.003 29.677 29.700 -0.034 0.000 0.907 45 E HN 1.255 nan 8.360 nan 0.000 0.494 46 G N -0.190 108.684 108.800 0.122 0.000 2.184 46 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.206 46 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.206 46 G C 0.783 175.755 174.900 0.119 0.000 0.995 46 G CA 0.088 45.256 45.100 0.115 0.000 0.651 46 G HN 0.420 nan 8.290 nan 0.000 0.511 47 G N -0.321 108.557 108.800 0.131 0.000 3.020 47 G HA2 0.290 4.250 3.960 -0.001 0.000 0.217 47 G HA3 0.290 4.250 3.960 -0.001 0.000 0.217 47 G C 1.726 176.737 174.900 0.185 0.000 1.144 47 G CA 1.820 47.003 45.100 0.138 0.000 0.760 47 G HN 1.448 nan 8.290 nan 0.000 0.548 48 C N -2.026 117.410 119.300 0.227 0.000 2.700 48 C HA 0.542 5.002 4.460 -0.001 0.000 0.297 48 C C 2.306 177.434 174.990 0.230 0.000 1.293 48 C CA 0.750 59.930 59.018 0.269 0.000 1.756 48 C CB -0.191 27.759 27.740 0.350 0.000 2.210 48 C HN 1.063 nan 8.230 nan 0.000 0.553 49 G N 0.878 109.791 108.800 0.190 0.000 2.162 49 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.260 49 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.260 49 G C 1.254 176.229 174.900 0.125 0.000 0.976 49 G CA 0.871 46.067 45.100 0.160 0.000 0.655 49 G HN 1.461 nan 8.290 nan 0.000 0.533 50 A N -0.142 122.752 122.820 0.123 0.000 2.024 50 A HA 0.030 4.350 4.320 -0.001 0.000 0.220 50 A C 2.478 180.054 177.584 -0.012 0.000 1.164 50 A CA 2.403 54.464 52.037 0.040 0.000 0.643 50 A CB -0.901 18.134 19.000 0.058 0.000 0.806 50 A HN 1.922 nan 8.150 nan 0.000 0.451 51 C N -0.809 118.515 119.300 0.040 0.000 2.396 51 C HA 0.425 4.885 4.460 -0.001 0.000 0.334 51 C C 0.641 175.658 174.990 0.045 0.000 1.313 51 C CA -0.518 58.520 59.018 0.033 0.000 1.719 51 C CB -2.385 25.395 27.740 0.066 0.000 1.893 51 C HN 0.326 nan 8.230 nan 0.000 0.589 52 T N 2.548 117.130 114.554 0.047 0.000 2.851 52 T HA 0.468 4.817 4.350 -0.001 0.000 0.298 52 T C 0.149 174.871 174.700 0.036 0.000 0.977 52 T CA 0.253 62.388 62.100 0.059 0.000 1.126 52 T CB 0.996 69.912 68.868 0.079 0.000 0.916 52 T HN 0.951 nan 8.240 nan 0.000 0.529 53 V N 1.711 121.650 119.914 0.041 0.000 2.925 53 V HA 0.697 4.817 4.120 -0.001 0.000 0.311 53 V C -0.453 175.653 176.094 0.020 0.000 1.104 53 V CA -1.392 60.920 62.300 0.019 0.000 0.954 53 V CB 2.061 33.892 31.823 0.014 0.000 1.022 53 V HN 0.919 nan 8.190 nan 0.000 0.427 54 M N 4.713 124.319 119.600 0.010 0.000 2.288 54 M HA 0.651 5.131 4.480 -0.001 0.000 0.334 54 M C -0.953 175.301 176.300 -0.077 0.000 1.150 54 M CA -0.568 54.728 55.300 -0.008 0.000 1.118 54 M CB 1.328 33.967 32.600 0.065 0.000 1.501 54 M HN 0.943 nan 8.290 nan 0.000 0.462 55 I N 2.037 122.469 120.570 -0.231 0.000 2.686 55 I HA 0.565 4.735 4.170 -0.001 0.000 0.295 55 I C -1.715 174.186 176.117 -0.359 0.000 1.114 55 I CA -0.203 60.922 61.300 -0.292 0.000 1.038 55 I CB 2.173 39.949 38.000 -0.374 0.000 1.238 55 I HN 0.722 nan 8.210 nan 0.000 0.420 56 S N 6.521 122.187 115.700 -0.057 0.000 2.634 56 S HA 0.881 5.351 4.470 -0.001 0.000 0.296 56 S C -0.992 173.725 174.600 0.195 0.000 1.104 56 S CA -0.798 57.473 58.200 0.120 0.000 0.920 56 S CB 2.415 65.876 63.200 0.436 0.000 1.111 56 S HN 0.786 nan 8.310 nan 0.000 0.493 57 K N 0.060 120.500 120.400 0.067 0.000 2.711 57 K HA 0.345 4.665 4.320 -0.001 0.000 0.294 57 K C -2.153 174.385 176.600 -0.103 0.000 1.037 57 K CA -0.960 55.432 56.287 0.176 0.000 0.858 57 K CB 0.658 33.277 32.500 0.200 0.000 1.521 57 K HN 0.532 nan 8.250 nan 0.000 0.386 58 Y N 2.050 122.318 120.300 -0.054 0.000 2.367 58 Y HA 0.215 4.765 4.550 -0.001 0.000 0.342 58 Y C -0.534 175.319 175.900 -0.078 0.000 0.979 58 Y CA -0.578 57.435 58.100 -0.145 0.000 1.161 58 Y CB 1.109 39.566 38.460 -0.005 0.000 1.155 58 Y HN 0.679 nan 8.280 nan 0.000 0.503 59 D N 6.923 126.958 120.400 -0.607 0.000 2.359 59 D HA 0.029 4.668 4.640 -0.001 0.000 0.250 59 D C 0.874 176.741 176.300 -0.722 0.000 1.264 59 D CA 0.033 53.741 54.000 -0.486 0.000 0.911 59 D CB 0.695 41.292 40.800 -0.337 0.000 1.056 59 D HN 0.722 nan 8.370 nan 0.000 0.499 60 R N 2.857 123.097 120.500 -0.433 0.000 2.133 60 R HA -0.223 4.116 4.340 -0.001 0.000 0.245 60 R C 1.834 177.998 176.300 -0.227 0.000 1.137 60 R CA 0.936 56.886 56.100 -0.250 0.000 0.947 60 R CB -1.119 29.137 30.300 -0.074 0.000 0.865 60 R HN 0.506 nan 8.270 nan 0.000 0.437 61 L N 1.548 122.661 121.223 -0.183 0.000 1.908 61 L HA -0.228 4.112 4.340 -0.001 0.000 0.227 61 L C 2.025 178.802 176.870 -0.156 0.000 1.087 61 L CA 1.884 56.644 54.840 -0.132 0.000 0.797 61 L CB -0.930 41.064 42.059 -0.108 0.000 0.893 61 L HN 0.217 nan 8.230 nan 0.000 0.432 62 Q N 0.244 119.939 119.800 -0.175 0.000 2.585 62 Q HA -0.226 4.113 4.340 -0.001 0.000 0.219 62 Q C 0.341 176.234 176.000 -0.178 0.000 0.984 62 Q CA 0.808 56.516 55.803 -0.158 0.000 0.915 62 Q CB -0.781 27.864 28.738 -0.155 0.000 0.967 62 Q HN 0.712 nan 8.270 nan 0.000 0.530 63 N N 0.766 119.303 118.700 -0.272 0.000 2.727 63 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 63 N C -1.227 174.201 175.510 -0.137 0.000 1.048 63 N CA 1.531 54.466 53.050 -0.191 0.000 0.714 63 N CB -0.790 37.709 38.487 0.020 0.000 0.959 63 N HN 0.535 nan 8.380 nan 0.000 0.544 64 K N -0.900 119.292 120.400 -0.347 0.000 2.509 64 K HA 0.600 4.920 4.320 -0.001 0.000 0.266 64 K C -0.738 175.688 176.600 -0.290 0.000 0.987 64 K CA -1.050 55.119 56.287 -0.197 0.000 0.868 64 K CB 1.051 33.452 32.500 -0.166 0.000 1.421 64 K HN 0.065 nan 8.250 nan 0.000 0.444 65 I N 2.401 122.809 120.570 -0.271 0.000 2.395 65 I HA 0.238 4.408 4.170 -0.001 0.000 0.289 65 I C -0.133 175.639 176.117 -0.575 0.000 1.023 65 I CA -0.934 60.066 61.300 -0.501 0.000 1.350 65 I CB 1.606 39.213 38.000 -0.656 0.000 1.409 65 I HN 0.504 nan 8.210 nan 0.000 0.507 66 V N 3.368 122.946 119.914 -0.560 0.000 2.815 66 V HA 0.617 4.736 4.120 -0.001 0.000 0.314 66 V C -0.792 175.009 176.094 -0.488 0.000 1.064 66 V CA -0.559 61.468 62.300 -0.454 0.000 0.952 66 V CB 1.895 33.641 31.823 -0.128 0.000 1.020 66 V HN 0.601 nan 8.190 nan 0.000 0.439 67 H N 4.215 123.280 119.070 -0.007 0.000 2.589 67 H HA 0.774 5.330 4.556 -0.001 0.000 0.351 67 H C -0.991 174.385 175.328 0.080 0.000 1.074 67 H CA -0.550 55.465 56.048 -0.054 0.000 1.203 67 H CB 1.755 31.474 29.762 -0.073 0.000 1.558 67 H HN 0.907 nan 8.280 nan 0.000 0.522 68 F N -0.528 119.484 119.950 0.102 0.000 2.641 68 F HA 0.520 5.046 4.527 -0.001 0.000 0.308 68 F C -0.279 175.551 175.800 0.051 0.000 1.105 68 F CA -1.192 56.834 58.000 0.042 0.000 0.964 68 F CB 0.966 39.972 39.000 0.009 0.000 1.294 68 F HN 0.383 nan 8.300 nan 0.000 0.442 69 S N 1.748 117.609 115.700 0.267 0.000 2.632 69 S HA 0.856 5.326 4.470 -0.001 0.000 0.267 69 S C -0.782 173.979 174.600 0.268 0.000 1.276 69 S CA -0.239 58.068 58.200 0.178 0.000 0.998 69 S CB 1.757 65.030 63.200 0.122 0.000 0.953 69 S HN 1.599 nan 8.310 nan 0.000 0.547 70 V N 0.546 120.566 119.914 0.178 0.000 3.282 70 V HA 0.417 4.537 4.120 -0.001 0.000 0.295 70 V C -1.840 174.328 176.094 0.124 0.000 1.451 70 V CA -1.070 61.340 62.300 0.182 0.000 1.062 70 V CB 2.335 34.291 31.823 0.222 0.000 1.128 70 V HN 1.038 nan 8.190 nan 0.000 0.456 71 N N 2.536 121.308 118.700 0.119 0.000 2.439 71 N HA 0.401 5.141 4.740 -0.001 0.000 0.249 71 N C 0.816 176.381 175.510 0.092 0.000 1.003 71 N CA 0.475 53.589 53.050 0.106 0.000 0.942 71 N CB 1.898 40.454 38.487 0.115 0.000 1.115 71 N HN 0.864 nan 8.380 nan 0.000 0.505 72 A N 1.844 124.709 122.820 0.076 0.000 1.940 72 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 72 A C 2.308 179.936 177.584 0.074 0.000 1.176 72 A CA 1.471 53.545 52.037 0.062 0.000 0.631 72 A CB -0.722 18.309 19.000 0.053 0.000 0.814 72 A HN 0.878 nan 8.150 nan 0.000 0.446 73 C N -1.985 117.370 119.300 0.092 0.000 2.430 73 C HA 0.252 4.712 4.460 -0.001 0.000 0.288 73 C C 1.897 176.960 174.990 0.121 0.000 1.448 73 C CA 0.886 59.970 59.018 0.110 0.000 1.784 73 C CB -1.511 26.310 27.740 0.134 0.000 1.776 73 C HN 0.452 nan 8.230 nan 0.000 0.547 74 L N 0.159 121.450 121.223 0.114 0.000 2.878 74 L HA 0.386 4.725 4.340 -0.001 0.000 0.253 74 L C 1.449 178.382 176.870 0.105 0.000 1.135 74 L CA 0.267 55.180 54.840 0.122 0.000 0.943 74 L CB -0.139 41.997 42.059 0.129 0.000 1.307 74 L HN 0.192 nan 8.230 nan 0.000 0.545 75 A N 1.625 124.492 122.820 0.078 0.000 2.347 75 A HA 0.502 4.822 4.320 -0.001 0.000 0.287 75 A C -2.426 175.155 177.584 -0.006 0.000 1.199 75 A CA -1.077 50.989 52.037 0.050 0.000 0.851 75 A CB -0.392 18.626 19.000 0.030 0.000 1.118 75 A HN -0.109 nan 8.150 nan 0.000 0.525 76 P HA 0.150 nan 4.420 nan 0.000 0.280 76 P C 1.205 178.315 177.300 -0.316 0.000 1.244 76 P CA -0.429 62.592 63.100 -0.132 0.000 0.784 76 P CB 0.657 32.301 31.700 -0.093 0.000 0.913 77 I N -0.148 120.201 120.570 -0.368 0.000 2.454 77 I HA -0.194 3.975 4.170 -0.001 0.000 0.254 77 I C 0.939 176.657 176.117 -0.665 0.000 1.156 77 I CA 1.436 62.431 61.300 -0.509 0.000 1.433 77 I CB -1.003 36.718 38.000 -0.465 0.000 1.082 77 I HN 0.157 nan 8.210 nan 0.000 0.432 78 C N 1.875 120.627 119.300 -0.914 0.000 2.485 78 C HA 0.008 4.468 4.460 -0.001 0.000 0.283 78 C C 2.690 177.047 174.990 -1.056 0.000 1.478 78 C CA 1.132 59.319 59.018 -1.384 0.000 1.741 78 C CB -1.997 24.580 27.740 -1.938 0.000 1.675 78 C HN 0.797 nan 8.230 nan 0.000 0.573 79 S N -1.057 114.273 115.700 -0.616 0.000 2.559 79 S HA 0.268 4.738 4.470 -0.001 0.000 0.226 79 S C 0.855 175.451 174.600 -0.006 0.000 1.000 79 S CA 0.019 58.148 58.200 -0.119 0.000 0.948 79 S CB -0.311 62.949 63.200 0.100 0.000 0.870 79 S HN 0.598 nan 8.310 nan 0.000 0.497 80 L N 1.468 122.586 121.223 -0.175 0.000 2.653 80 L HA 0.362 4.702 4.340 -0.001 0.000 0.231 80 L C 0.669 177.553 176.870 0.024 0.000 1.153 80 L CA -0.443 54.293 54.840 -0.173 0.000 0.933 80 L CB -0.731 40.959 42.059 -0.615 0.000 1.175 80 L HN 0.340 nan 8.230 nan 0.000 0.473 81 H N 1.081 120.219 119.070 0.114 0.000 3.094 81 H HA -0.081 4.475 4.556 -0.000 0.000 0.320 81 H C 0.366 175.898 175.328 0.340 0.000 1.000 81 H CA 0.743 56.940 56.048 0.248 0.000 1.413 81 H CB -0.147 29.835 29.762 0.367 0.000 1.405 81 H HN 0.210 nan 8.280 nan 0.000 0.586 82 H N 1.001 120.008 119.070 -0.104 0.000 2.770 82 H HA -0.145 4.410 4.556 -0.000 0.000 0.309 82 H C -0.779 174.623 175.328 0.125 0.000 1.206 82 H CA 0.217 56.239 56.048 -0.044 0.000 1.147 82 H CB -1.318 28.326 29.762 -0.197 0.000 1.422 82 H HN 0.167 nan 8.280 nan 0.000 0.420 83 V N -0.137 119.968 119.914 0.318 0.000 3.001 83 V HA 0.730 4.850 4.120 -0.001 0.000 0.314 83 V C -0.211 176.052 176.094 0.281 0.000 1.099 83 V CA -0.277 62.173 62.300 0.250 0.000 0.989 83 V CB 2.156 34.069 31.823 0.149 0.000 1.040 83 V HN 0.363 nan 8.190 nan 0.000 0.434 84 A N 3.051 126.006 122.820 0.225 0.000 2.277 84 A HA 0.737 5.056 4.320 -0.001 0.000 0.318 84 A C -0.609 177.074 177.584 0.165 0.000 1.339 84 A CA -0.390 51.770 52.037 0.204 0.000 0.875 84 A CB 0.643 19.706 19.000 0.105 0.000 1.158 84 A HN 0.619 nan 8.150 nan 0.000 0.514 85 V N 2.272 122.302 119.914 0.193 0.000 2.732 85 V HA 0.511 4.630 4.120 -0.001 0.000 0.297 85 V C 0.508 176.658 176.094 0.094 0.000 1.060 85 V CA 0.137 62.504 62.300 0.111 0.000 1.038 85 V CB 1.532 33.438 31.823 0.138 0.000 1.003 85 V HN 0.874 nan 8.190 nan 0.000 0.481 86 T N 2.767 117.344 114.554 0.039 0.000 2.921 86 T HA 0.598 4.948 4.350 -0.001 0.000 0.297 86 T C -0.097 174.581 174.700 -0.037 0.000 1.013 86 T CA -0.507 61.593 62.100 0.001 0.000 0.990 86 T CB 1.724 70.587 68.868 -0.009 0.000 1.023 86 T HN 0.989 nan 8.240 nan 0.000 0.447 87 T N -1.267 113.251 114.554 -0.060 0.000 2.883 87 T HA 0.527 4.876 4.350 -0.001 0.000 0.284 87 T C 1.420 176.040 174.700 -0.134 0.000 1.041 87 T CA -0.488 61.570 62.100 -0.069 0.000 1.007 87 T CB 1.142 69.994 68.868 -0.026 0.000 1.220 87 T HN 0.214 nan 8.240 nan 0.000 0.552 88 V N 0.862 120.707 119.914 -0.115 0.000 2.392 88 V HA -0.124 3.996 4.120 -0.001 0.000 0.249 88 V C 2.358 178.380 176.094 -0.120 0.000 1.059 88 V CA 2.560 64.777 62.300 -0.138 0.000 1.051 88 V CB -1.081 30.690 31.823 -0.087 0.000 0.658 88 V HN 0.953 nan 8.190 nan 0.000 0.455 89 E N 0.542 120.696 120.200 -0.077 0.000 2.153 89 E HA -0.059 4.290 4.350 -0.001 0.000 0.194 89 E C 2.036 178.599 176.600 -0.062 0.000 0.988 89 E CA 1.166 57.534 56.400 -0.054 0.000 0.811 89 E CB -0.624 29.057 29.700 -0.032 0.000 0.746 89 E HN 0.663 nan 8.360 nan 0.000 0.466 90 G N 0.737 109.487 108.800 -0.084 0.000 2.956 90 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.207 90 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.207 90 G C 1.339 176.167 174.900 -0.121 0.000 1.162 90 G CA 0.477 45.530 45.100 -0.079 0.000 0.796 90 G HN 0.410 nan 8.290 nan 0.000 0.527 91 I N -4.275 116.188 120.570 -0.178 0.000 4.323 91 I HA 0.597 4.766 4.170 -0.001 0.000 0.328 91 I C 0.692 176.813 176.117 0.007 0.000 1.310 91 I CA 0.093 61.279 61.300 -0.189 0.000 1.186 91 I CB 1.099 38.714 38.000 -0.641 0.000 1.130 91 I HN 0.014 nan 8.210 nan 0.000 0.411 92 G N 0.524 109.317 108.800 -0.011 0.000 2.451 92 G HA2 0.469 4.428 3.960 -0.001 0.000 0.292 92 G HA3 0.469 4.428 3.960 -0.001 0.000 0.292 92 G C -2.216 172.691 174.900 0.012 0.000 1.427 92 G CA -0.814 44.309 45.100 0.038 0.000 0.792 92 G HN 0.322 nan 8.290 nan 0.000 0.498 93 N N -1.862 116.850 118.700 0.019 0.000 2.902 93 N HA 0.533 5.273 4.740 -0.001 0.000 0.268 93 N C 1.194 176.712 175.510 0.014 0.000 1.450 93 N CA -0.367 52.689 53.050 0.010 0.000 0.819 93 N CB 1.688 40.177 38.487 0.004 0.000 1.540 93 N HN 0.613 nan 8.380 nan 0.000 0.545 94 T N -2.212 112.348 114.554 0.010 0.000 2.915 94 T HA -0.133 4.216 4.350 -0.001 0.000 0.269 94 T C 1.281 175.987 174.700 0.010 0.000 1.071 94 T CA 1.106 63.212 62.100 0.011 0.000 1.132 94 T CB -0.098 68.776 68.868 0.010 0.000 0.878 94 T HN 0.289 nan 8.240 nan 0.000 0.479 95 Q N 1.302 121.107 119.800 0.007 0.000 2.083 95 Q HA 0.163 4.503 4.340 -0.001 0.000 0.198 95 Q C 1.118 177.124 176.000 0.010 0.000 0.969 95 Q CA 1.208 57.015 55.803 0.006 0.000 0.838 95 Q CB -0.028 28.712 28.738 0.003 0.000 0.900 95 Q HN 0.600 nan 8.270 nan 0.000 0.436 96 K N 0.564 120.972 120.400 0.013 0.000 2.752 96 K HA 0.294 4.614 4.320 -0.001 0.000 0.199 96 K C -1.096 175.521 176.600 0.029 0.000 1.069 96 K CA -0.138 56.159 56.287 0.017 0.000 1.033 96 K CB 0.218 32.727 32.500 0.015 0.000 1.229 96 K HN 0.009 nan 8.250 nan 0.000 0.572 97 L N 3.592 124.834 121.223 0.032 0.000 2.416 97 L HA 0.154 4.494 4.340 -0.001 0.000 0.272 97 L C 0.908 177.830 176.870 0.087 0.000 1.161 97 L CA -0.381 54.491 54.840 0.055 0.000 0.845 97 L CB 0.291 42.372 42.059 0.037 0.000 1.119 97 L HN 0.498 nan 8.230 nan 0.000 0.464 98 H N 5.164 124.255 119.070 0.035 0.000 2.615 98 H HA 0.111 4.667 4.556 -0.001 0.000 0.363 98 H C -1.942 173.451 175.328 0.108 0.000 1.148 98 H CA -1.783 54.312 56.048 0.078 0.000 1.401 98 H CB 1.785 31.595 29.762 0.078 0.000 1.461 98 H HN 0.330 nan 8.280 nan 0.000 0.588 99 P HA -0.200 nan 4.420 nan 0.000 0.216 99 P C 1.786 179.394 177.300 0.514 0.000 1.153 99 P CA 1.217 64.492 63.100 0.292 0.000 0.858 99 P CB 0.254 32.122 31.700 0.280 0.000 0.789 100 V N -0.311 120.075 119.914 0.786 0.000 2.282 100 V HA -0.327 3.793 4.120 -0.001 0.000 0.249 100 V C 2.436 178.772 176.094 0.404 0.000 1.057 100 V CA 2.053 64.685 62.300 0.553 0.000 1.032 100 V CB -1.319 30.609 31.823 0.174 0.000 0.645 100 V HN 0.235 nan 8.190 nan 0.000 0.447 101 Q N -0.430 119.523 119.800 0.256 0.000 2.049 101 Q HA -0.216 4.124 4.340 -0.001 0.000 0.198 101 Q C 2.354 178.375 176.000 0.035 0.000 0.971 101 Q CA 1.608 57.485 55.803 0.124 0.000 0.833 101 Q CB -0.264 28.528 28.738 0.090 0.000 0.896 101 Q HN 0.755 nan 8.270 nan 0.000 0.434 102 E N 1.456 121.668 120.200 0.020 0.000 2.058 102 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 102 E C 2.012 178.423 176.600 -0.314 0.000 0.997 102 E CA 1.036 57.368 56.400 -0.114 0.000 0.801 102 E CB 0.124 29.756 29.700 -0.114 0.000 0.746 102 E HN 0.237 nan 8.360 nan 0.000 0.450 103 R N 0.313 120.583 120.500 -0.383 0.000 2.062 103 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 103 R C 2.681 178.700 176.300 -0.469 0.000 1.136 103 R CA 1.478 57.157 56.100 -0.701 0.000 0.948 103 R CB -0.531 29.506 30.300 -0.439 0.000 0.845 103 R HN 0.305 nan 8.270 nan 0.000 0.430 104 I N 0.779 121.163 120.570 -0.311 0.000 2.248 104 I HA -0.317 3.853 4.170 -0.001 0.000 0.248 104 I C 2.226 178.167 176.117 -0.292 0.000 1.107 104 I CA 1.558 62.622 61.300 -0.394 0.000 1.373 104 I CB -0.120 37.729 38.000 -0.251 0.000 1.055 104 I HN 0.219 nan 8.210 nan 0.000 0.418 105 A N 0.825 123.515 122.820 -0.217 0.000 1.858 105 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 105 A C 2.376 179.799 177.584 -0.268 0.000 1.190 105 A CA 1.602 53.532 52.037 -0.178 0.000 0.617 105 A CB -0.604 18.333 19.000 -0.106 0.000 0.827 105 A HN 0.431 nan 8.150 nan 0.000 0.443 106 R N 0.207 120.518 120.500 -0.315 0.000 2.115 106 R HA -0.068 4.272 4.340 -0.001 0.000 0.226 106 R C 2.260 178.193 176.300 -0.612 0.000 1.100 106 R CA 1.422 57.321 56.100 -0.335 0.000 0.980 106 R CB -0.382 29.858 30.300 -0.101 0.000 0.875 106 R HN 0.675 nan 8.270 nan 0.000 0.445 107 S N -0.164 115.106 115.700 -0.716 0.000 2.607 107 S HA -0.075 4.395 4.470 -0.001 0.000 0.224 107 S C 0.105 174.456 174.600 -0.415 0.000 0.969 107 S CA 0.136 57.675 58.200 -1.103 0.000 0.927 107 S CB -0.305 62.290 63.200 -1.009 0.000 0.772 107 S HN 0.431 nan 8.310 nan 0.000 0.533 108 H N -1.308 117.617 119.070 -0.242 0.000 2.999 108 H HA -0.128 4.428 4.556 -0.001 0.000 0.262 108 H C 1.005 176.248 175.328 -0.140 0.000 1.240 108 H CA 0.471 56.443 56.048 -0.128 0.000 1.115 108 H CB -1.827 27.895 29.762 -0.067 0.000 1.274 108 H HN 0.605 nan 8.280 nan 0.000 0.358 109 G N 0.084 108.805 108.800 -0.133 0.000 2.956 109 G HA2 0.132 4.092 3.960 -0.001 0.000 0.207 109 G HA3 0.132 4.092 3.960 -0.001 0.000 0.207 109 G C 0.545 175.377 174.900 -0.113 0.000 1.162 109 G CA 0.845 45.861 45.100 -0.139 0.000 0.796 109 G HN 0.313 nan 8.290 nan 0.000 0.527 110 S N -1.027 114.616 115.700 -0.094 0.000 2.532 110 S HA 0.514 4.983 4.470 -0.001 0.000 0.299 110 S C 0.411 174.927 174.600 -0.140 0.000 1.105 110 S CA -0.704 57.442 58.200 -0.090 0.000 1.018 110 S CB 1.641 64.803 63.200 -0.063 0.000 1.021 110 S HN 0.316 nan 8.310 nan 0.000 0.483 111 Q N 1.688 121.397 119.800 -0.151 0.000 2.497 111 Q HA 0.084 4.423 4.340 -0.001 0.000 0.180 111 Q C 2.202 178.046 176.000 -0.261 0.000 0.778 111 Q CA 0.767 56.430 55.803 -0.233 0.000 0.803 111 Q CB -0.686 27.988 28.738 -0.107 0.000 1.129 111 Q HN 0.940 nan 8.270 nan 0.000 0.597 112 C N -0.101 119.150 119.300 -0.082 0.000 2.446 112 C HA 0.374 4.834 4.460 -0.001 0.000 0.279 112 C C 1.791 176.867 174.990 0.143 0.000 1.366 112 C CA 0.551 59.577 59.018 0.014 0.000 1.763 112 C CB -0.906 26.856 27.740 0.036 0.000 1.929 112 C HN 0.877 nan 8.230 nan 0.000 0.509 113 G N -0.369 108.483 108.800 0.087 0.000 2.205 113 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.261 113 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.261 113 G C 0.438 175.419 174.900 0.136 0.000 0.980 113 G CA 0.502 45.685 45.100 0.138 0.000 0.632 113 G HN 0.571 nan 8.290 nan 0.000 0.533 114 F N 1.337 121.225 119.950 -0.103 0.000 2.408 114 F HA 0.020 4.547 4.527 -0.000 0.000 0.300 114 F C 2.616 178.335 175.800 -0.135 0.000 1.090 114 F CA 2.178 59.991 58.000 -0.311 0.000 1.427 114 F CB -0.055 38.716 39.000 -0.381 0.000 1.070 114 F HN 0.625 nan 8.300 nan 0.000 0.549 115 C N -3.288 116.017 119.300 0.007 0.000 3.097 115 C HA 0.189 4.649 4.460 -0.001 0.000 0.335 115 C C 2.415 177.395 174.990 -0.017 0.000 1.283 115 C CA 0.527 59.545 59.018 -0.001 0.000 1.778 115 C CB -0.931 26.856 27.740 0.079 0.000 2.365 115 C HN 0.268 nan 8.230 nan 0.000 0.627 116 T N 3.122 117.668 114.554 -0.013 0.000 2.760 116 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 116 T C -0.569 174.130 174.700 -0.002 0.000 1.047 116 T CA 2.531 64.632 62.100 0.001 0.000 1.139 116 T CB -1.326 67.546 68.868 0.007 0.000 0.855 116 T HN 0.484 nan 8.240 nan 0.000 0.471 117 P HA 0.003 nan 4.420 nan 0.000 0.215 117 P C 1.870 179.156 177.300 -0.024 0.000 1.157 117 P CA 1.145 64.218 63.100 -0.045 0.000 0.863 117 P CB -0.500 31.145 31.700 -0.091 0.000 0.787 118 G N -0.344 108.442 108.800 -0.023 0.000 2.418 118 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 118 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 118 G C 1.532 176.467 174.900 0.058 0.000 1.158 118 G CA 0.587 45.700 45.100 0.022 0.000 0.771 118 G HN 0.218 nan 8.290 nan 0.000 0.545 119 I N 0.175 120.773 120.570 0.045 0.000 2.202 119 I HA -0.131 4.039 4.170 -0.001 0.000 0.242 119 I C 2.780 178.941 176.117 0.073 0.000 1.091 119 I CA 0.352 61.652 61.300 -0.001 0.000 1.368 119 I CB -0.279 37.685 38.000 -0.061 0.000 1.058 119 I HN 0.011 nan 8.210 nan 0.000 0.410 120 V N 0.671 120.647 119.914 0.102 0.000 2.324 120 V HA -0.329 3.791 4.120 -0.001 0.000 0.250 120 V C 2.541 178.667 176.094 0.053 0.000 1.060 120 V CA 1.714 64.085 62.300 0.118 0.000 1.042 120 V CB -0.465 31.398 31.823 0.066 0.000 0.650 120 V HN 0.387 nan 8.190 nan 0.000 0.450 121 M N -0.936 118.687 119.600 0.039 0.000 2.229 121 M HA -0.080 4.400 4.480 -0.001 0.000 0.264 121 M C 2.373 178.729 176.300 0.095 0.000 1.063 121 M CA 1.422 56.753 55.300 0.050 0.000 1.114 121 M CB -1.385 31.225 32.600 0.018 0.000 1.387 121 M HN 0.326 nan 8.290 nan 0.000 0.420 122 S N 0.487 116.257 115.700 0.117 0.000 2.355 122 S HA -0.108 4.362 4.470 -0.001 0.000 0.222 122 S C 1.848 176.475 174.600 0.045 0.000 1.031 122 S CA 1.273 59.553 58.200 0.135 0.000 0.993 122 S CB -0.194 63.179 63.200 0.289 0.000 0.859 122 S HN 0.410 nan 8.310 nan 0.000 0.453 123 M N 0.606 120.248 119.600 0.071 0.000 2.117 123 M HA -0.100 4.380 4.480 -0.001 0.000 0.262 123 M C 1.727 177.831 176.300 -0.327 0.000 1.065 123 M CA 1.540 56.675 55.300 -0.275 0.000 1.114 123 M CB -0.760 31.427 32.600 -0.688 0.000 1.361 123 M HN 0.405 nan 8.290 nan 0.000 0.408 124 Y N 0.470 120.588 120.300 -0.303 0.000 2.070 124 Y HA -0.253 4.297 4.550 -0.000 0.000 0.280 124 Y C 2.127 177.890 175.900 -0.227 0.000 1.148 124 Y CA 2.726 60.639 58.100 -0.312 0.000 1.125 124 Y CB -1.031 37.248 38.460 -0.302 0.000 0.975 124 Y HN 0.332 nan 8.280 nan 0.000 0.492 125 T N 1.584 116.071 114.554 -0.111 0.000 2.737 125 T HA -0.254 4.095 4.350 -0.001 0.000 0.269 125 T C 1.775 176.354 174.700 -0.201 0.000 1.040 125 T CA 1.569 63.589 62.100 -0.134 0.000 1.142 125 T CB -0.774 68.096 68.868 0.003 0.000 0.861 125 T HN 0.354 nan 8.240 nan 0.000 0.456 126 L N 1.244 122.334 121.223 -0.221 0.000 1.970 126 L HA 0.004 4.344 4.340 -0.001 0.000 0.212 126 L C 2.207 178.923 176.870 -0.256 0.000 1.071 126 L CA 1.671 56.371 54.840 -0.233 0.000 0.751 126 L CB -0.934 40.946 42.059 -0.299 0.000 0.889 126 L HN 0.242 nan 8.230 nan 0.000 0.432 127 L N -0.550 120.462 121.223 -0.351 0.000 2.189 127 L HA -0.206 4.133 4.340 -0.001 0.000 0.214 127 L C 2.650 179.350 176.870 -0.283 0.000 1.097 127 L CA 0.779 55.424 54.840 -0.326 0.000 0.764 127 L CB -0.657 41.152 42.059 -0.417 0.000 0.900 127 L HN 0.317 nan 8.230 nan 0.000 0.436 128 R N -0.292 119.990 120.500 -0.363 0.000 2.153 128 R HA -0.010 4.330 4.340 -0.001 0.000 0.218 128 R C 1.702 177.958 176.300 -0.073 0.000 1.072 128 R CA 0.710 56.646 56.100 -0.273 0.000 0.990 128 R CB -0.541 29.513 30.300 -0.410 0.000 0.889 128 R HN 0.510 nan 8.270 nan 0.000 0.452 129 N N 0.182 118.833 118.700 -0.082 0.000 2.387 129 N HA -0.065 4.675 4.740 -0.001 0.000 0.176 129 N C 0.063 175.539 175.510 -0.058 0.000 1.022 129 N CA 0.460 53.487 53.050 -0.039 0.000 0.883 129 N CB 0.361 38.824 38.487 -0.039 0.000 1.019 129 N HN 0.020 nan 8.380 nan 0.000 0.435 130 Q N 0.576 120.324 119.800 -0.085 0.000 2.490 130 Q HA 0.357 4.696 4.340 -0.001 0.000 0.255 130 Q C -2.323 173.636 176.000 -0.068 0.000 0.997 130 Q CA -1.909 53.852 55.803 -0.070 0.000 0.709 130 Q CB 2.026 30.718 28.738 -0.077 0.000 1.255 130 Q HN -0.107 nan 8.270 nan 0.000 0.486 131 P HA -0.169 nan 4.420 nan 0.000 0.216 131 P C -0.738 176.579 177.300 0.027 0.000 1.154 131 P CA 1.474 64.569 63.100 -0.009 0.000 0.865 131 P CB 0.353 32.057 31.700 0.007 0.000 0.789 132 E N -0.538 119.676 120.200 0.023 0.000 2.795 132 E HA 0.215 4.564 4.350 -0.001 0.000 0.226 132 E C -2.365 174.250 176.600 0.026 0.000 1.088 132 E CA -1.911 54.520 56.400 0.052 0.000 0.812 132 E CB 0.940 30.671 29.700 0.052 0.000 1.328 132 E HN 0.308 nan 8.360 nan 0.000 0.410 133 P HA 0.010 nan 4.420 nan 0.000 0.275 133 P C 0.051 177.357 177.300 0.010 0.000 1.266 133 P CA -0.181 62.907 63.100 -0.021 0.000 0.793 133 P CB 0.804 32.459 31.700 -0.074 0.000 1.074 134 T N -3.309 111.239 114.554 -0.009 0.000 2.934 134 T HA 0.218 4.568 4.350 -0.001 0.000 0.283 134 T C 1.473 176.182 174.700 0.014 0.000 1.005 134 T CA -0.777 61.329 62.100 0.011 0.000 1.041 134 T CB 0.423 69.290 68.868 -0.002 0.000 1.042 134 T HN 0.078 nan 8.240 nan 0.000 0.505 135 V N 1.020 120.961 119.914 0.045 0.000 2.439 135 V HA -0.184 3.936 4.120 -0.001 0.000 0.253 135 V C 2.737 178.847 176.094 0.028 0.000 1.074 135 V CA 2.306 64.644 62.300 0.064 0.000 1.076 135 V CB -0.917 30.958 31.823 0.087 0.000 0.664 135 V HN 1.044 nan 8.190 nan 0.000 0.461 136 E N -0.339 119.865 120.200 0.007 0.000 2.076 136 E HA -0.191 4.159 4.350 -0.001 0.000 0.190 136 E C 2.252 178.806 176.600 -0.078 0.000 0.979 136 E CA 1.003 57.394 56.400 -0.016 0.000 0.807 136 E CB 0.022 29.718 29.700 -0.006 0.000 0.761 136 E HN 0.706 nan 8.360 nan 0.000 0.454 137 E N 0.501 120.646 120.200 -0.091 0.000 2.077 137 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 137 E C 2.192 178.649 176.600 -0.238 0.000 0.989 137 E CA 0.907 57.220 56.400 -0.146 0.000 0.800 137 E CB -0.039 29.589 29.700 -0.120 0.000 0.746 137 E HN 0.329 nan 8.360 nan 0.000 0.452 138 I N 1.181 121.619 120.570 -0.221 0.000 2.127 138 I HA -0.316 3.854 4.170 -0.001 0.000 0.241 138 I C 2.713 178.475 176.117 -0.593 0.000 1.075 138 I CA 1.436 62.520 61.300 -0.360 0.000 1.334 138 I CB -0.277 37.641 38.000 -0.138 0.000 1.040 138 I HN 0.171 nan 8.210 nan 0.000 0.405 139 E N 1.033 121.041 120.200 -0.321 0.000 2.110 139 E HA -0.241 4.108 4.350 -0.001 0.000 0.193 139 E C 1.810 178.189 176.600 -0.368 0.000 0.988 139 E CA 1.215 57.438 56.400 -0.295 0.000 0.804 139 E CB 0.043 29.724 29.700 -0.031 0.000 0.745 139 E HN 0.433 nan 8.360 nan 0.000 0.458 140 N N 0.431 118.955 118.700 -0.293 0.000 2.381 140 N HA -0.119 4.621 4.740 -0.001 0.000 0.182 140 N C 1.524 176.851 175.510 -0.305 0.000 1.025 140 N CA 0.956 53.858 53.050 -0.247 0.000 0.888 140 N CB -0.203 38.160 38.487 -0.206 0.000 0.965 140 N HN 0.239 nan 8.380 nan 0.000 0.438 141 A N 0.508 123.021 122.820 -0.511 0.000 1.933 141 A HA -0.057 4.263 4.320 -0.001 0.000 0.218 141 A C 1.430 178.826 177.584 -0.314 0.000 1.175 141 A CA 0.844 52.570 52.037 -0.518 0.000 0.628 141 A CB -0.765 17.741 19.000 -0.823 0.000 0.814 141 A HN 0.324 nan 8.150 nan 0.000 0.444 142 F N -0.195 119.571 119.950 -0.306 0.000 2.663 142 F HA 0.095 4.621 4.527 -0.000 0.000 0.299 142 F C 2.023 177.756 175.800 -0.112 0.000 1.143 142 F CA -0.309 57.473 58.000 -0.364 0.000 1.387 142 F CB 0.002 38.246 39.000 -1.260 0.000 1.019 142 F HN 0.285 nan 8.300 nan 0.000 0.523 143 Q N 0.504 120.351 119.800 0.078 0.000 2.224 143 Q HA -0.074 4.265 4.340 -0.001 0.000 0.203 143 Q C 2.215 178.314 176.000 0.166 0.000 0.970 143 Q CA 1.182 57.053 55.803 0.113 0.000 0.865 143 Q CB -0.114 28.645 28.738 0.034 0.000 0.922 143 Q HN 0.558 nan 8.270 nan 0.000 0.445 144 G N 0.248 109.149 108.800 0.168 0.000 3.284 144 G HA2 0.034 3.994 3.960 -0.001 0.000 0.236 144 G HA3 0.034 3.994 3.960 -0.001 0.000 0.236 144 G C 0.047 175.083 174.900 0.225 0.000 1.158 144 G CA -0.272 44.933 45.100 0.175 0.000 0.774 144 G HN 0.069 nan 8.290 nan 0.000 0.545 145 N N 0.631 119.517 118.700 0.310 0.000 2.372 145 N HA 0.484 5.224 4.740 -0.001 0.000 0.285 145 N C -1.075 174.729 175.510 0.490 0.000 1.008 145 N CA -0.247 53.023 53.050 0.366 0.000 0.880 145 N CB 2.507 41.214 38.487 0.366 0.000 1.239 145 N HN -0.016 nan 8.380 nan 0.000 0.484 146 L N 0.890 122.338 121.223 0.375 0.000 2.334 146 L HA 0.613 4.952 4.340 -0.001 0.000 0.276 146 L C -0.250 176.765 176.870 0.241 0.000 1.014 146 L CA -0.849 54.211 54.840 0.366 0.000 0.815 146 L CB 2.098 44.332 42.059 0.292 0.000 1.268 146 L HN 0.465 nan 8.230 nan 0.000 0.428 147 C N 2.286 121.616 119.300 0.049 0.000 2.535 147 C HA 0.532 4.992 4.460 -0.001 0.000 0.319 147 C C 0.756 175.619 174.990 -0.212 0.000 1.171 147 C CA -0.576 58.331 59.018 -0.185 0.000 1.394 147 C CB 1.743 29.178 27.740 -0.509 0.000 1.990 147 C HN 0.979 nan 8.230 nan 0.000 0.466 148 R N 2.525 123.024 120.500 -0.003 0.000 2.362 148 R HA 0.345 4.685 4.340 -0.001 0.000 0.227 148 R C 0.928 177.260 176.300 0.054 0.000 0.905 148 R CA 1.090 57.219 56.100 0.049 0.000 1.067 148 R CB -0.517 29.909 30.300 0.210 0.000 1.078 148 R HN 0.863 nan 8.270 nan 0.000 0.516 149 C N -2.153 117.167 119.300 0.033 0.000 2.478 149 C HA 0.178 4.638 4.460 -0.001 0.000 0.397 149 C C 2.228 177.202 174.990 -0.027 0.000 1.360 149 C CA 0.588 59.661 59.018 0.092 0.000 2.191 149 C CB 0.291 28.098 27.740 0.111 0.000 2.654 149 C HN 0.605 nan 8.230 nan 0.000 0.548 150 T N -1.280 113.183 114.554 -0.150 0.000 2.904 150 T HA 0.227 4.577 4.350 -0.001 0.000 0.267 150 T C 1.706 176.316 174.700 -0.149 0.000 1.059 150 T CA 1.630 63.631 62.100 -0.166 0.000 1.137 150 T CB -0.523 68.216 68.868 -0.215 0.000 0.879 150 T HN 1.091 nan 8.240 nan 0.000 0.467 151 G N 0.654 109.335 108.800 -0.199 0.000 2.136 151 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.242 151 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.242 151 G C 0.560 175.564 174.900 0.172 0.000 0.989 151 G CA 0.332 45.465 45.100 0.055 0.000 0.682 151 G HN 0.625 nan 8.290 nan 0.000 0.522 152 Y N -2.274 117.951 120.300 -0.126 0.000 4.074 152 Y HA -0.420 4.130 4.550 -0.001 0.000 0.357 152 Y C 2.307 178.228 175.900 0.035 0.000 1.031 152 Y CA 2.776 60.769 58.100 -0.178 0.000 2.373 152 Y CB -1.429 36.801 38.460 -0.384 0.000 1.019 152 Y HN 0.591 nan 8.280 nan 0.000 0.509 153 R N 1.191 121.801 120.500 0.182 0.000 2.113 153 R HA -0.195 4.144 4.340 -0.001 0.000 0.231 153 R C -0.663 175.728 176.300 0.153 0.000 1.129 153 R CA 2.578 58.773 56.100 0.158 0.000 0.915 153 R CB -1.304 28.980 30.300 -0.027 0.000 0.837 153 R HN 0.353 nan 8.270 nan 0.000 0.430 154 P HA -0.216 nan 4.420 nan 0.000 0.216 154 P C 1.650 178.968 177.300 0.030 0.000 1.157 154 P CA 1.822 64.962 63.100 0.067 0.000 0.880 154 P CB -0.313 31.400 31.700 0.021 0.000 0.791 155 I N -0.529 120.057 120.570 0.027 0.000 2.068 155 I HA -0.287 3.883 4.170 -0.001 0.000 0.238 155 I C 2.857 179.047 176.117 0.122 0.000 1.046 155 I CA 1.667 62.954 61.300 -0.021 0.000 1.306 155 I CB -1.097 37.007 38.000 0.173 0.000 1.023 155 I HN -0.122 nan 8.210 nan 0.000 0.399 156 L N -0.010 121.468 121.223 0.425 0.000 2.012 156 L HA -0.276 4.063 4.340 -0.001 0.000 0.210 156 L C 2.789 179.886 176.870 0.379 0.000 1.073 156 L CA 1.576 56.722 54.840 0.510 0.000 0.748 156 L CB -0.658 41.716 42.059 0.525 0.000 0.891 156 L HN 0.378 nan 8.230 nan 0.000 0.431 157 Q N -0.094 119.889 119.800 0.304 0.000 2.112 157 Q HA -0.205 4.135 4.340 -0.001 0.000 0.206 157 Q C 2.148 178.369 176.000 0.369 0.000 0.987 157 Q CA 1.917 57.911 55.803 0.318 0.000 0.858 157 Q CB -0.276 28.657 28.738 0.325 0.000 0.905 157 Q HN 0.545 nan 8.270 nan 0.000 0.420 158 G N -0.262 108.682 108.800 0.240 0.000 2.433 158 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 158 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 158 G C 0.922 176.027 174.900 0.341 0.000 1.186 158 G CA 0.592 45.797 45.100 0.175 0.000 0.779 158 G HN 0.348 nan 8.290 nan 0.000 0.543 159 F N 0.902 121.086 119.950 0.389 0.000 2.451 159 F HA 0.151 4.677 4.527 -0.001 0.000 0.299 159 F C 2.522 178.599 175.800 0.462 0.000 1.101 159 F CA 0.249 58.556 58.000 0.512 0.000 1.436 159 F CB -0.432 38.851 39.000 0.472 0.000 1.074 159 F HN 0.057 nan 8.300 nan 0.000 0.553 160 R N 0.528 121.338 120.500 0.517 0.000 2.119 160 R HA -0.224 4.115 4.340 -0.001 0.000 0.246 160 R C 2.268 178.758 176.300 0.316 0.000 1.146 160 R CA 2.224 58.542 56.100 0.363 0.000 0.962 160 R CB -0.604 29.870 30.300 0.290 0.000 0.863 160 R HN 0.402 nan 8.270 nan 0.000 0.442 161 T N -2.230 112.506 114.554 0.303 0.000 2.918 161 T HA -0.175 4.175 4.350 -0.001 0.000 0.271 161 T C 1.476 176.232 174.700 0.094 0.000 1.104 161 T CA 1.289 63.490 62.100 0.168 0.000 1.114 161 T CB -0.407 68.563 68.868 0.169 0.000 0.855 161 T HN 0.261 nan 8.240 nan 0.000 0.518 162 F N 1.648 121.737 119.950 0.233 0.000 2.664 162 F HA 0.532 5.059 4.527 -0.001 0.000 0.296 162 F C 1.940 177.801 175.800 0.102 0.000 1.125 162 F CA -0.158 57.940 58.000 0.162 0.000 1.444 162 F CB -0.173 38.912 39.000 0.141 0.000 1.114 162 F HN 0.296 nan 8.300 nan 0.000 0.576 163 A N 0.277 123.263 122.820 0.276 0.000 2.249 163 A HA 0.461 4.781 4.320 -0.001 0.000 0.281 163 A C 0.512 178.164 177.584 0.114 0.000 1.127 163 A CA -0.547 51.590 52.037 0.167 0.000 0.833 163 A CB 0.218 19.306 19.000 0.147 0.000 1.140 163 A HN 0.282 nan 8.150 nan 0.000 0.502 193 S N -0.733 115.028 115.700 0.102 0.000 2.599 193 S HA 0.467 4.936 4.470 -0.001 0.000 0.287 193 S C 0.668 175.497 174.600 0.382 0.000 1.105 193 S CA -0.803 57.490 58.200 0.156 0.000 0.899 193 S CB 1.322 64.501 63.200 -0.036 0.000 1.100 193 S HN 0.406 nan 8.310 nan 0.000 0.482 194 L N 0.643 122.047 121.223 0.303 0.000 2.270 194 L HA 0.212 4.552 4.340 -0.001 0.000 0.210 194 L C 0.232 177.423 176.870 0.535 0.000 1.104 194 L CA 1.097 56.136 54.840 0.332 0.000 0.804 194 L CB -0.184 42.072 42.059 0.328 0.000 0.937 194 L HN 0.743 nan 8.230 nan 0.000 0.450 195 F N -3.734 116.336 119.950 0.199 0.000 3.215 195 F HA 0.504 5.031 4.527 -0.001 0.000 0.326 195 F C -1.002 174.815 175.800 0.028 0.000 1.189 195 F CA -1.301 56.782 58.000 0.139 0.000 0.905 195 F CB 1.144 40.240 39.000 0.160 0.000 1.485 195 F HN -0.390 nan 8.300 nan 0.000 0.508 196 N N 1.313 120.108 118.700 0.159 0.000 2.621 196 N HA 0.329 5.068 4.740 -0.001 0.000 0.271 196 N C -2.442 172.835 175.510 -0.387 0.000 1.181 196 N CA -1.973 50.987 53.050 -0.150 0.000 0.805 196 N CB 2.220 40.675 38.487 -0.053 0.000 1.351 196 N HN 0.430 nan 8.380 nan 0.000 0.539 197 P HA -0.100 nan 4.420 nan 0.000 0.230 197 P C 0.817 177.759 177.300 -0.597 0.000 1.158 197 P CA 0.779 63.119 63.100 -1.267 0.000 0.769 197 P CB 0.532 31.853 31.700 -0.633 0.000 0.807 198 E N 0.545 120.551 120.200 -0.325 0.000 2.268 198 E HA -0.155 4.195 4.350 -0.001 0.000 0.195 198 E C 0.770 177.327 176.600 -0.070 0.000 0.995 198 E CA 0.855 57.166 56.400 -0.148 0.000 0.836 198 E CB -0.249 29.386 29.700 -0.109 0.000 0.763 198 E HN 0.098 nan 8.360 nan 0.000 0.491 199 D N -0.244 120.120 120.400 -0.059 0.000 2.349 199 D HA 0.062 4.701 4.640 -0.001 0.000 0.214 199 D C -0.063 176.382 176.300 0.242 0.000 1.063 199 D CA 0.008 54.055 54.000 0.079 0.000 0.847 199 D CB -0.078 40.784 40.800 0.103 0.000 0.933 199 D HN 0.175 nan 8.370 nan 0.000 0.513 200 F N 2.248 122.220 119.950 0.035 0.000 2.529 200 F HA 0.011 4.538 4.527 -0.001 0.000 0.365 200 F C 1.372 177.173 175.800 0.001 0.000 1.102 200 F CA -0.841 57.169 58.000 0.016 0.000 1.271 200 F CB 0.579 39.574 39.000 -0.009 0.000 1.120 200 F HN -0.267 nan 8.300 nan 0.000 0.579 201 K N 4.156 124.659 120.400 0.172 0.000 2.350 201 K HA 0.339 4.658 4.320 -0.001 0.000 0.279 201 K C -2.802 173.842 176.600 0.073 0.000 1.027 201 K CA -1.451 54.891 56.287 0.091 0.000 0.969 201 K CB 0.139 32.668 32.500 0.049 0.000 0.954 201 K HN 0.169 nan 8.250 nan 0.000 0.474 202 P HA -0.059 nan 4.420 nan 0.000 0.271 202 P C -1.021 176.305 177.300 0.044 0.000 1.238 202 P CA -0.506 62.622 63.100 0.046 0.000 0.794 202 P CB 0.345 32.068 31.700 0.038 0.000 0.959 203 L N 1.518 122.781 121.223 0.066 0.000 2.334 203 L HA 0.533 4.873 4.340 -0.001 0.000 0.275 203 L C -0.458 176.444 176.870 0.052 0.000 1.036 203 L CA 0.090 54.979 54.840 0.083 0.000 0.807 203 L CB 1.183 43.362 42.059 0.201 0.000 1.231 203 L HN 0.197 nan 8.230 nan 0.000 0.438 204 D N 4.238 124.653 120.400 0.025 0.000 2.364 204 D HA 0.337 4.977 4.640 -0.001 0.000 0.251 204 D C -2.088 174.229 176.300 0.028 0.000 1.282 204 D CA -1.498 52.517 54.000 0.024 0.000 0.927 204 D CB 1.714 42.521 40.800 0.012 0.000 1.267 204 D HN 0.267 nan 8.370 nan 0.000 0.531 205 P HA -0.186 nan 4.420 nan 0.000 0.218 205 P C 1.395 178.719 177.300 0.039 0.000 1.147 205 P CA 1.630 64.753 63.100 0.038 0.000 0.827 205 P CB 0.192 31.910 31.700 0.030 0.000 0.778 206 T N -4.259 110.316 114.554 0.034 0.000 2.915 206 T HA -0.110 4.239 4.350 -0.001 0.000 0.269 206 T C 1.327 176.050 174.700 0.039 0.000 1.071 206 T CA 0.817 62.937 62.100 0.035 0.000 1.132 206 T CB -0.657 68.227 68.868 0.027 0.000 0.878 206 T HN 0.048 nan 8.240 nan 0.000 0.479 207 Q N 1.803 121.625 119.800 0.036 0.000 2.292 207 Q HA 0.283 4.623 4.340 -0.001 0.000 0.247 207 Q C -0.192 175.846 176.000 0.063 0.000 0.911 207 Q CA 0.314 56.139 55.803 0.037 0.000 0.948 207 Q CB -0.080 28.668 28.738 0.017 0.000 1.093 207 Q HN 0.673 nan 8.270 nan 0.000 0.428 208 E N 0.775 121.024 120.200 0.082 0.000 2.221 208 E HA 0.410 4.760 4.350 -0.001 0.000 0.268 208 E C -2.264 174.396 176.600 0.099 0.000 0.933 208 E CA -2.254 54.222 56.400 0.126 0.000 0.809 208 E CB 0.831 30.612 29.700 0.135 0.000 1.190 208 E HN -0.040 nan 8.360 nan 0.000 0.406 209 P HA -0.019 nan 4.420 nan 0.000 0.260 209 P C 0.281 177.630 177.300 0.083 0.000 1.172 209 P CA 0.349 63.495 63.100 0.077 0.000 0.760 209 P CB 0.295 32.037 31.700 0.070 0.000 0.773 210 I N 3.210 123.819 120.570 0.064 0.000 3.161 210 I HA 0.041 4.211 4.170 -0.001 0.000 0.284 210 I C -0.063 176.115 176.117 0.102 0.000 1.252 210 I CA -0.222 61.123 61.300 0.075 0.000 1.374 210 I CB 0.276 38.293 38.000 0.028 0.000 1.359 210 I HN 0.148 nan 8.210 nan 0.000 0.606 211 F N 7.665 127.606 119.950 -0.015 0.000 2.391 211 F HA 0.487 5.014 4.527 -0.000 0.000 0.359 211 F C -2.034 173.687 175.800 -0.132 0.000 1.122 211 F CA -2.933 55.044 58.000 -0.039 0.000 1.120 211 F CB 0.130 39.139 39.000 0.015 0.000 1.142 211 F HN 0.276 nan 8.300 nan 0.000 0.483 212 P HA -0.129 nan 4.420 nan 0.000 0.231 212 P C -2.134 174.719 177.300 -0.745 0.000 1.048 212 P CA -0.117 62.431 63.100 -0.921 0.000 0.925 212 P CB -0.061 30.689 31.700 -1.584 0.000 0.852 213 P HA -0.225 nan 4.420 nan 0.000 0.217 213 P C 1.255 178.404 177.300 -0.252 0.000 1.148 213 P CA 1.419 64.378 63.100 -0.234 0.000 0.834 213 P CB -0.072 31.550 31.700 -0.130 0.000 0.783 214 E N -0.557 119.475 120.200 -0.280 0.000 2.118 214 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 214 E C 1.995 178.436 176.600 -0.265 0.000 0.992 214 E CA 0.929 57.223 56.400 -0.177 0.000 0.804 214 E CB -0.728 28.991 29.700 0.031 0.000 0.741 214 E HN 0.320 nan 8.360 nan 0.000 0.458 215 L N 0.663 121.604 121.223 -0.469 0.000 2.131 215 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 215 L C 2.425 179.137 176.870 -0.262 0.000 1.092 215 L CA 0.759 55.352 54.840 -0.412 0.000 0.759 215 L CB -0.251 41.448 42.059 -0.599 0.000 0.903 215 L HN 0.162 nan 8.230 nan 0.000 0.435 216 L N -1.024 120.056 121.223 -0.239 0.000 2.217 216 L HA -0.116 4.224 4.340 -0.001 0.000 0.211 216 L C 2.704 179.426 176.870 -0.247 0.000 1.107 216 L CA 0.771 55.460 54.840 -0.252 0.000 0.783 216 L CB -0.382 41.572 42.059 -0.176 0.000 0.919 216 L HN 0.189 nan 8.230 nan 0.000 0.442 217 R N 0.115 120.499 120.500 -0.194 0.000 2.092 217 R HA -0.079 4.260 4.340 -0.001 0.000 0.231 217 R C 2.221 178.432 176.300 -0.148 0.000 1.119 217 R CA 1.080 57.093 56.100 -0.145 0.000 0.970 217 R CB -0.194 30.042 30.300 -0.107 0.000 0.864 217 R HN 0.341 nan 8.270 nan 0.000 0.440 218 L N 0.945 122.050 121.223 -0.196 0.000 2.156 218 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 218 L C 1.982 178.753 176.870 -0.165 0.000 1.095 218 L CA 0.989 55.702 54.840 -0.211 0.000 0.770 218 L CB -0.453 41.346 42.059 -0.434 0.000 0.914 218 L HN 0.082 nan 8.230 nan 0.000 0.439 219 K N -0.428 119.860 120.400 -0.186 0.000 2.589 219 K HA -0.144 4.176 4.320 -0.001 0.000 0.195 219 K C 0.953 177.509 176.600 -0.074 0.000 1.040 219 K CA 1.295 57.512 56.287 -0.117 0.000 0.950 219 K CB -0.442 31.872 32.500 -0.310 0.000 0.781 219 K HN 0.301 nan 8.250 nan 0.000 0.486 220 D N 0.532 120.880 120.400 -0.087 0.000 2.277 220 D HA -0.036 4.604 4.640 -0.001 0.000 0.209 220 D C 0.076 176.364 176.300 -0.020 0.000 0.970 220 D CA 1.087 55.057 54.000 -0.050 0.000 0.874 220 D CB 0.183 40.947 40.800 -0.060 0.000 0.982 220 D HN 0.461 nan 8.370 nan 0.000 0.504 221 T N 0.873 115.417 114.554 -0.017 0.000 2.837 221 T HA 0.403 4.753 4.350 -0.001 0.000 0.285 221 T C -2.504 172.210 174.700 0.022 0.000 0.984 221 T CA -1.772 60.334 62.100 0.010 0.000 1.049 221 T CB 1.939 70.820 68.868 0.022 0.000 0.947 221 T HN -0.175 nan 8.240 nan 0.000 0.472 222 P HA 0.062 nan 4.420 nan 0.000 0.265 222 P C 0.068 177.401 177.300 0.055 0.000 1.222 222 P CA -0.262 62.859 63.100 0.036 0.000 0.767 222 P CB 0.438 32.162 31.700 0.040 0.000 0.801 223 Q N 3.441 123.259 119.800 0.030 0.000 2.349 223 Q HA 0.122 4.462 4.340 -0.001 0.000 0.287 223 Q C 0.268 176.360 176.000 0.152 0.000 1.044 223 Q CA -0.210 55.623 55.803 0.050 0.000 0.918 223 Q CB 0.423 29.034 28.738 -0.211 0.000 1.242 223 Q HN 0.404 nan 8.270 nan 0.000 0.405 224 K N 1.696 122.228 120.400 0.221 0.000 2.313 224 K HA 0.386 4.706 4.320 -0.001 0.000 0.235 224 K C -0.892 175.872 176.600 0.273 0.000 1.035 224 K CA -0.999 55.410 56.287 0.204 0.000 0.868 224 K CB 1.403 33.981 32.500 0.129 0.000 1.232 224 K HN 0.654 nan 8.250 nan 0.000 0.459 225 K N 1.396 121.893 120.400 0.163 0.000 2.412 225 K HA 0.186 4.506 4.320 -0.001 0.000 0.281 225 K C -0.648 175.952 176.600 -0.000 0.000 1.027 225 K CA -0.246 56.099 56.287 0.095 0.000 0.989 225 K CB 0.274 32.800 32.500 0.044 0.000 0.935 225 K HN 0.505 nan 8.250 nan 0.000 0.475 226 L N 4.295 125.461 121.223 -0.096 0.000 2.334 226 L HA 0.552 4.892 4.340 -0.001 0.000 0.273 226 L C -0.090 176.530 176.870 -0.417 0.000 1.013 226 L CA -1.023 53.620 54.840 -0.328 0.000 0.816 226 L CB 1.863 43.628 42.059 -0.490 0.000 1.278 226 L HN 0.645 nan 8.230 nan 0.000 0.431 227 R N 2.043 122.206 120.500 -0.561 0.000 2.502 227 R HA 0.541 4.881 4.340 -0.001 0.000 0.300 227 R C -1.976 174.011 176.300 -0.521 0.000 0.984 227 R CA -0.437 55.439 56.100 -0.373 0.000 0.882 227 R CB 1.239 31.441 30.300 -0.164 0.000 1.180 227 R HN 0.427 nan 8.270 nan 0.000 0.444 228 F N 2.468 122.452 119.950 0.057 0.000 2.427 228 F HA 0.323 4.849 4.527 -0.001 0.000 0.348 228 F C 0.132 175.966 175.800 0.056 0.000 1.125 228 F CA -0.919 57.091 58.000 0.016 0.000 0.989 228 F CB 1.956 40.913 39.000 -0.071 0.000 1.165 228 F HN 0.418 nan 8.300 nan 0.000 0.442 229 E N 1.709 122.023 120.200 0.189 0.000 2.249 229 E HA 0.610 4.959 4.350 -0.001 0.000 0.280 229 E C 0.106 176.787 176.600 0.136 0.000 1.016 229 E CA -0.148 56.333 56.400 0.134 0.000 0.830 229 E CB 1.442 31.192 29.700 0.083 0.000 1.081 229 E HN 0.741 nan 8.360 nan 0.000 0.395 230 G N 1.802 110.675 108.800 0.122 0.000 3.013 230 G HA2 0.131 4.090 3.960 -0.001 0.000 0.278 230 G HA3 0.131 4.090 3.960 -0.001 0.000 0.278 230 G C 0.341 175.294 174.900 0.089 0.000 1.353 230 G CA -0.473 44.690 45.100 0.105 0.000 1.043 230 G HN 0.636 nan 8.290 nan 0.000 0.523 231 E N -0.650 119.602 120.200 0.087 0.000 2.147 231 E HA -0.203 4.147 4.350 -0.001 0.000 0.199 231 E C 1.656 178.300 176.600 0.073 0.000 1.005 231 E CA 1.684 58.135 56.400 0.085 0.000 0.810 231 E CB 0.050 29.816 29.700 0.109 0.000 0.736 231 E HN 0.521 nan 8.360 nan 0.000 0.460 232 R N -2.096 118.451 120.500 0.077 0.000 2.471 232 R HA 0.241 4.581 4.340 -0.001 0.000 0.367 232 R C -1.028 175.317 176.300 0.075 0.000 0.799 232 R CA -0.257 55.881 56.100 0.064 0.000 1.055 232 R CB 0.478 30.808 30.300 0.050 0.000 1.704 232 R HN -0.118 nan 8.270 nan 0.000 0.531 233 V N 1.234 121.209 119.914 0.101 0.000 2.623 233 V HA 0.420 4.539 4.120 -0.001 0.000 0.304 233 V C -0.456 175.732 176.094 0.157 0.000 1.054 233 V CA -0.592 61.786 62.300 0.130 0.000 0.882 233 V CB 2.151 34.074 31.823 0.167 0.000 1.002 233 V HN 0.188 nan 8.190 nan 0.000 0.424 234 T N 4.923 119.563 114.554 0.143 0.000 2.795 234 T HA 0.387 4.737 4.350 -0.001 0.000 0.282 234 T C -0.961 173.880 174.700 0.234 0.000 0.980 234 T CA -0.203 61.992 62.100 0.158 0.000 1.012 234 T CB 0.977 69.889 68.868 0.073 0.000 0.936 234 T HN 0.672 nan 8.240 nan 0.000 0.457 235 W N 5.706 127.056 121.300 0.082 0.000 2.538 235 W HA 0.587 5.247 4.660 -0.001 0.000 0.322 235 W C -1.998 174.550 176.519 0.048 0.000 1.028 235 W CA -1.626 55.771 57.345 0.088 0.000 1.228 235 W CB 0.452 30.005 29.460 0.155 0.000 1.356 235 W HN 0.515 nan 8.180 nan 0.000 0.452 236 I N 5.238 125.855 120.570 0.078 0.000 2.378 236 I HA 0.076 4.245 4.170 -0.001 0.000 0.291 236 I C -0.038 176.050 176.117 -0.048 0.000 0.992 236 I CA -0.713 60.609 61.300 0.037 0.000 1.154 236 I CB 1.992 39.957 38.000 -0.059 0.000 1.315 236 I HN 0.257 nan 8.210 nan 0.000 0.448 237 Q N 5.724 125.540 119.800 0.028 0.000 2.569 237 Q HA 0.486 4.826 4.340 -0.001 0.000 0.226 237 Q C -0.331 175.543 176.000 -0.209 0.000 1.136 237 Q CA -0.414 55.298 55.803 -0.152 0.000 0.947 237 Q CB 0.999 29.555 28.738 -0.304 0.000 1.218 237 Q HN 0.730 nan 8.270 nan 0.000 0.547 238 A N 1.974 124.708 122.820 -0.144 0.000 2.520 238 A HA 0.278 4.597 4.320 -0.001 0.000 0.235 238 A C 0.907 178.540 177.584 0.081 0.000 1.065 238 A CA 0.598 52.616 52.037 -0.033 0.000 0.764 238 A CB 0.266 19.245 19.000 -0.036 0.000 1.002 238 A HN 0.914 nan 8.150 nan 0.000 0.502 239 S N 0.024 115.832 115.700 0.180 0.000 2.524 239 S HA 0.242 4.712 4.470 -0.001 0.000 0.222 239 S C 0.589 175.311 174.600 0.204 0.000 1.040 239 S CA 0.709 59.104 58.200 0.326 0.000 0.915 239 S CB -0.237 63.176 63.200 0.354 0.000 0.831 239 S HN 1.522 nan 8.310 nan 0.000 0.492 240 T N -1.423 113.206 114.554 0.125 0.000 2.903 240 T HA 0.601 4.951 4.350 -0.001 0.000 0.299 240 T C 0.599 175.332 174.700 0.055 0.000 1.093 240 T CA -0.661 61.490 62.100 0.086 0.000 1.002 240 T CB 1.595 70.505 68.868 0.069 0.000 1.127 240 T HN -0.062 nan 8.240 nan 0.000 0.488 241 M N 1.245 120.870 119.600 0.041 0.000 2.082 241 M HA -0.061 4.419 4.480 -0.001 0.000 0.258 241 M C 2.167 178.476 176.300 0.016 0.000 1.069 241 M CA 2.180 57.494 55.300 0.022 0.000 1.102 241 M CB -0.988 31.620 32.600 0.014 0.000 1.336 241 M HN 0.950 nan 8.290 nan 0.000 0.404 242 E N -0.285 119.926 120.200 0.019 0.000 2.086 242 E HA -0.294 4.056 4.350 -0.001 0.000 0.200 242 E C 1.780 178.388 176.600 0.014 0.000 1.012 242 E CA 2.162 58.571 56.400 0.014 0.000 0.812 242 E CB -0.222 29.489 29.700 0.017 0.000 0.743 242 E HN 0.730 nan 8.360 nan 0.000 0.453 243 E N 0.206 120.418 120.200 0.021 0.000 2.038 243 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 243 E C 2.251 178.855 176.600 0.006 0.000 1.000 243 E CA 1.166 57.577 56.400 0.018 0.000 0.803 243 E CB -0.263 29.454 29.700 0.027 0.000 0.750 243 E HN 0.226 nan 8.360 nan 0.000 0.448 244 L N 1.383 122.606 121.223 0.001 0.000 1.971 244 L HA -0.222 4.117 4.340 -0.001 0.000 0.215 244 L C 2.148 179.009 176.870 -0.014 0.000 1.072 244 L CA 1.762 56.593 54.840 -0.016 0.000 0.758 244 L CB -0.545 41.503 42.059 -0.018 0.000 0.889 244 L HN 0.128 nan 8.230 nan 0.000 0.433 245 L N -0.951 120.266 121.223 -0.009 0.000 2.046 245 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 245 L C 2.297 179.162 176.870 -0.009 0.000 1.077 245 L CA 1.679 56.513 54.840 -0.010 0.000 0.747 245 L CB -0.873 41.181 42.059 -0.008 0.000 0.896 245 L HN 0.345 nan 8.230 nan 0.000 0.432 246 D N 0.052 120.449 120.400 -0.004 0.000 2.117 246 D HA -0.202 4.438 4.640 -0.001 0.000 0.197 246 D C 2.227 178.527 176.300 -0.001 0.000 0.987 246 D CA 0.780 54.778 54.000 -0.004 0.000 0.829 246 D CB 0.093 40.895 40.800 0.003 0.000 0.961 246 D HN 0.107 nan 8.370 nan 0.000 0.460 247 L N 0.605 121.834 121.223 0.011 0.000 2.017 247 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 247 L C 1.782 178.674 176.870 0.038 0.000 1.073 247 L CA 1.639 56.502 54.840 0.039 0.000 0.745 247 L CB -0.502 41.572 42.059 0.024 0.000 0.894 247 L HN 0.019 nan 8.230 nan 0.000 0.432 248 K N 0.337 120.742 120.400 0.008 0.000 2.097 248 K HA -0.099 4.220 4.320 -0.001 0.000 0.206 248 K C 2.104 178.698 176.600 -0.009 0.000 1.049 248 K CA 1.336 57.624 56.287 0.002 0.000 0.933 248 K CB -0.489 32.002 32.500 -0.014 0.000 0.717 248 K HN 0.458 nan 8.250 nan 0.000 0.442 249 A N 1.677 124.483 122.820 -0.023 0.000 1.858 249 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 249 A C 2.120 179.652 177.584 -0.087 0.000 1.190 249 A CA 1.305 53.317 52.037 -0.042 0.000 0.617 249 A CB -0.336 18.642 19.000 -0.037 0.000 0.827 249 A HN 0.261 nan 8.150 nan 0.000 0.443 250 Q N -0.586 119.139 119.800 -0.125 0.000 2.224 250 Q HA -0.062 4.278 4.340 -0.001 0.000 0.203 250 Q C -0.206 175.423 176.000 -0.620 0.000 0.970 250 Q CA 0.929 56.541 55.803 -0.318 0.000 0.865 250 Q CB -0.016 28.558 28.738 -0.273 0.000 0.922 250 Q HN 0.806 nan 8.270 nan 0.000 0.445 251 H N -1.303 117.762 119.070 -0.009 0.000 2.699 251 H HA 0.202 4.757 4.556 -0.001 0.000 0.256 251 H C -1.984 173.338 175.328 -0.011 0.000 1.376 251 H CA -1.633 54.411 56.048 -0.006 0.000 1.549 251 H CB 1.503 31.262 29.762 -0.006 0.000 1.686 251 H HN -0.057 nan 8.280 nan 0.000 0.550 252 P HA -0.164 nan 4.420 nan 0.000 0.219 252 P C 1.392 178.716 177.300 0.040 0.000 1.146 252 P CA 1.220 64.338 63.100 0.030 0.000 0.808 252 P CB 0.365 32.072 31.700 0.013 0.000 0.779 253 D N -0.127 120.315 120.400 0.070 0.000 2.309 253 D HA -0.101 4.539 4.640 -0.001 0.000 0.212 253 D C 0.700 177.032 176.300 0.053 0.000 0.968 253 D CA 0.321 54.363 54.000 0.070 0.000 0.882 253 D CB -0.822 40.032 40.800 0.088 0.000 0.918 253 D HN 0.071 nan 8.370 nan 0.000 0.503 254 A N 1.442 124.287 122.820 0.041 0.000 2.524 254 A HA -0.014 4.305 4.320 -0.001 0.000 0.271 254 A C 0.556 178.099 177.584 -0.069 0.000 1.097 254 A CA 0.021 52.052 52.037 -0.010 0.000 0.791 254 A CB 0.049 19.044 19.000 -0.008 0.000 1.028 254 A HN -0.100 nan 8.150 nan 0.000 0.518 255 K N 3.299 123.636 120.400 -0.104 0.000 2.383 255 K HA 0.161 4.480 4.320 -0.001 0.000 0.286 255 K C 0.019 176.452 176.600 -0.279 0.000 1.051 255 K CA -0.041 56.104 56.287 -0.236 0.000 0.974 255 K CB 0.316 32.566 32.500 -0.416 0.000 0.968 255 K HN 0.632 nan 8.250 nan 0.000 0.475 256 L N 3.948 125.019 121.223 -0.253 0.000 2.417 256 L HA 0.279 4.619 4.340 -0.001 0.000 0.268 256 L C 0.077 176.775 176.870 -0.287 0.000 1.158 256 L CA -0.194 54.498 54.840 -0.247 0.000 0.819 256 L CB 1.143 43.100 42.059 -0.170 0.000 1.112 256 L HN 0.255 nan 8.230 nan 0.000 0.458 257 V N 3.760 123.488 119.914 -0.310 0.000 2.851 257 V HA 0.441 4.560 4.120 -0.001 0.000 0.307 257 V C 0.225 176.203 176.094 -0.193 0.000 1.129 257 V CA -0.384 61.755 62.300 -0.268 0.000 0.932 257 V CB 2.454 34.056 31.823 -0.368 0.000 1.024 257 V HN 0.644 nan 8.190 nan 0.000 0.426 258 V N 2.624 122.487 119.914 -0.084 0.000 4.791 258 V HA 0.347 4.467 4.120 -0.001 0.000 0.158 258 V C 1.965 178.081 176.094 0.036 0.000 1.013 258 V CA 0.980 63.264 62.300 -0.026 0.000 1.393 258 V CB 0.000 31.805 31.823 -0.031 0.000 2.056 258 V HN 0.855 nan 8.190 nan 0.000 0.477 259 G N -0.198 108.619 108.800 0.029 0.000 2.650 259 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.214 259 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.214 259 G C 0.825 175.774 174.900 0.081 0.000 1.136 259 G CA 1.002 46.136 45.100 0.056 0.000 0.789 259 G HN 0.730 nan 8.290 nan 0.000 0.536 260 N N -0.483 118.256 118.700 0.066 0.000 2.857 260 N HA -0.266 4.473 4.740 -0.001 0.000 0.242 260 N C 1.515 177.081 175.510 0.093 0.000 0.983 260 N CA 2.132 55.233 53.050 0.085 0.000 0.934 260 N CB -1.721 36.852 38.487 0.145 0.000 1.115 260 N HN 0.399 nan 8.380 nan 0.000 0.593 261 T N -4.064 110.541 114.554 0.085 0.000 3.098 261 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 261 T C 1.302 176.052 174.700 0.082 0.000 1.145 261 T CA 1.466 63.621 62.100 0.092 0.000 1.092 261 T CB 0.149 69.076 68.868 0.097 0.000 0.908 261 T HN 0.375 nan 8.240 nan 0.000 0.526 262 E N 0.730 120.972 120.200 0.070 0.000 2.280 262 E HA 0.232 4.582 4.350 -0.001 0.000 0.197 262 E C 1.910 178.557 176.600 0.079 0.000 0.913 262 E CA -0.161 56.275 56.400 0.059 0.000 0.995 262 E CB -0.397 29.324 29.700 0.035 0.000 0.991 262 E HN 0.276 nan 8.360 nan 0.000 0.484 263 I N 1.531 122.134 120.570 0.055 0.000 2.264 263 I HA -0.119 4.051 4.170 -0.001 0.000 0.248 263 I C 2.245 178.470 176.117 0.181 0.000 1.111 263 I CA 1.648 62.997 61.300 0.082 0.000 1.382 263 I CB -1.629 36.347 38.000 -0.040 0.000 1.060 263 I HN 0.282 nan 8.210 nan 0.000 0.418 264 G N 1.428 110.324 108.800 0.161 0.000 2.440 264 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 264 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 264 G C 1.624 176.668 174.900 0.240 0.000 1.154 264 G CA 0.373 45.590 45.100 0.196 0.000 0.767 264 G HN 0.228 nan 8.290 nan 0.000 0.552 265 I N 0.940 121.639 120.570 0.215 0.000 2.315 265 I HA -0.077 4.093 4.170 -0.001 0.000 0.248 265 I C 2.553 178.852 176.117 0.303 0.000 1.117 265 I CA 1.030 62.482 61.300 0.254 0.000 1.404 265 I CB -1.058 37.000 38.000 0.097 0.000 1.071 265 I HN 0.344 nan 8.210 nan 0.000 0.419 266 E N 0.394 120.744 120.200 0.250 0.000 2.051 266 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 266 E C 2.375 179.122 176.600 0.244 0.000 0.991 266 E CA 1.280 57.835 56.400 0.259 0.000 0.799 266 E CB -0.055 29.831 29.700 0.310 0.000 0.748 266 E HN 0.411 nan 8.360 nan 0.000 0.449 267 M N 0.408 120.166 119.600 0.263 0.000 2.067 267 M HA -0.165 4.315 4.480 -0.001 0.000 0.260 267 M C 2.398 178.779 176.300 0.135 0.000 1.069 267 M CA 1.324 56.731 55.300 0.178 0.000 1.117 267 M CB -0.242 32.487 32.600 0.214 0.000 1.334 267 M HN -0.115 nan 8.290 nan 0.000 0.407 268 K N 0.587 121.097 120.400 0.184 0.000 2.025 268 K HA -0.080 4.240 4.320 -0.001 0.000 0.207 268 K C 1.345 177.900 176.600 -0.075 0.000 1.049 268 K CA 1.872 58.205 56.287 0.077 0.000 0.933 268 K CB -0.195 32.410 32.500 0.175 0.000 0.714 268 K HN 0.189 nan 8.250 nan 0.000 0.438 269 F N 0.102 120.110 119.950 0.096 0.000 2.505 269 F HA 0.282 4.808 4.527 -0.000 0.000 0.289 269 F C 1.325 177.178 175.800 0.089 0.000 1.101 269 F CA 0.436 58.492 58.000 0.094 0.000 1.446 269 F CB 0.248 39.311 39.000 0.104 0.000 1.123 269 F HN -0.155 nan 8.300 nan 0.000 0.564 270 K N 0.513 121.065 120.400 0.254 0.000 2.446 270 K HA 0.078 4.398 4.320 -0.001 0.000 0.203 270 K C -0.274 176.384 176.600 0.096 0.000 1.027 270 K CA -0.006 56.384 56.287 0.171 0.000 1.166 270 K CB -0.234 32.368 32.500 0.171 0.000 0.869 270 K HN 0.065 nan 8.250 nan 0.000 0.504 271 N N 1.557 120.300 118.700 0.071 0.000 2.714 271 N HA -0.201 4.539 4.740 -0.001 0.000 0.252 271 N C -0.450 175.045 175.510 -0.024 0.000 1.014 271 N CA 1.098 54.159 53.050 0.018 0.000 0.735 271 N CB -0.623 37.871 38.487 0.012 0.000 0.924 271 N HN 0.283 nan 8.380 nan 0.000 0.540 272 M N 0.220 119.794 119.600 -0.044 0.000 2.471 272 M HA 0.486 4.966 4.480 -0.001 0.000 0.309 272 M C 0.343 176.468 176.300 -0.291 0.000 1.186 272 M CA -0.659 54.514 55.300 -0.213 0.000 1.008 272 M CB 1.457 33.906 32.600 -0.252 0.000 1.551 272 M HN 0.167 nan 8.290 nan 0.000 0.477 273 L N 2.647 123.557 121.223 -0.521 0.000 2.620 273 L HA 0.454 4.793 4.340 -0.001 0.000 0.261 273 L C -2.078 174.528 176.870 -0.441 0.000 0.978 273 L CA 0.003 54.634 54.840 -0.348 0.000 0.897 273 L CB 0.719 42.692 42.059 -0.144 0.000 1.207 273 L HN 0.443 nan 8.230 nan 0.000 0.425 274 F N 6.761 126.735 119.950 0.040 0.000 2.335 274 F HA 0.478 5.005 4.527 -0.000 0.000 0.365 274 F C -1.105 174.711 175.800 0.026 0.000 1.122 274 F CA -1.669 56.346 58.000 0.023 0.000 1.151 274 F CB 0.659 39.664 39.000 0.008 0.000 1.282 274 F HN 0.423 nan 8.300 nan 0.000 0.513 275 P HA -0.138 nan 4.420 nan 0.000 0.229 275 P C -0.014 177.334 177.300 0.080 0.000 1.150 275 P CA 0.965 64.117 63.100 0.085 0.000 0.765 275 P CB 0.538 32.265 31.700 0.044 0.000 0.783 276 L N 0.305 121.581 121.223 0.090 0.000 2.529 276 L HA 0.357 4.697 4.340 -0.001 0.000 0.258 276 L C -0.653 176.209 176.870 -0.012 0.000 1.032 276 L CA -1.045 53.811 54.840 0.026 0.000 0.899 276 L CB 0.636 42.678 42.059 -0.027 0.000 1.174 276 L HN -0.308 nan 8.230 nan 0.000 0.458 277 I N 3.264 123.805 120.570 -0.048 0.000 2.934 277 I HA 0.580 4.750 4.170 -0.001 0.000 0.315 277 I C -0.125 175.755 176.117 -0.394 0.000 0.997 277 I CA -0.840 60.315 61.300 -0.243 0.000 1.184 277 I CB 1.781 39.584 38.000 -0.329 0.000 1.400 277 I HN 0.373 nan 8.210 nan 0.000 0.549 278 V N 3.941 123.518 119.914 -0.562 0.000 2.671 278 V HA 0.246 4.366 4.120 -0.001 0.000 0.292 278 V C -1.234 174.514 176.094 -0.576 0.000 1.115 278 V CA -0.512 61.479 62.300 -0.516 0.000 0.918 278 V CB 1.366 33.029 31.823 -0.266 0.000 1.036 278 V HN 0.952 nan 8.190 nan 0.000 0.445 279 C N 9.994 128.877 119.300 -0.695 0.000 2.285 279 C HA 0.767 5.227 4.460 -0.001 0.000 0.335 279 C C -1.395 173.435 174.990 -0.266 0.000 1.267 279 C CA -1.006 57.738 59.018 -0.456 0.000 1.762 279 C CB 1.568 29.115 27.740 -0.321 0.000 2.365 279 C HN 0.845 nan 8.230 nan 0.000 0.527 280 P HA 0.175 nan 4.420 nan 0.000 0.280 280 P C 0.893 178.192 177.300 -0.002 0.000 1.431 280 P CA 0.274 63.325 63.100 -0.082 0.000 1.058 280 P CB 0.240 31.900 31.700 -0.067 0.000 1.521 281 A N -0.319 122.497 122.820 -0.007 0.000 2.093 281 A HA -0.169 4.151 4.320 -0.001 0.000 0.222 281 A C 1.697 179.449 177.584 0.279 0.000 1.162 281 A CA 1.313 53.412 52.037 0.103 0.000 0.655 281 A CB -1.472 17.601 19.000 0.121 0.000 0.805 281 A HN 0.196 nan 8.150 nan 0.000 0.461 282 W N -0.094 121.252 121.300 0.076 0.000 2.443 282 W HA 0.228 4.887 4.660 -0.000 0.000 0.296 282 W C 0.824 177.372 176.519 0.050 0.000 1.202 282 W CA -0.712 56.680 57.345 0.080 0.000 1.312 282 W CB -1.054 28.471 29.460 0.110 0.000 1.120 282 W HN 0.096 nan 8.180 nan 0.000 0.536 283 I N 3.441 124.171 120.570 0.268 0.000 3.015 283 I HA -0.191 3.979 4.170 -0.001 0.000 0.309 283 I C -1.129 175.048 176.117 0.100 0.000 1.229 283 I CA -0.507 60.883 61.300 0.150 0.000 1.430 283 I CB -0.011 38.043 38.000 0.090 0.000 1.347 283 I HN -0.263 nan 8.210 nan 0.000 0.544 284 P HA -0.166 nan 4.420 nan 0.000 0.215 284 P C 1.179 178.488 177.300 0.014 0.000 1.157 284 P CA 1.210 64.332 63.100 0.036 0.000 0.868 284 P CB 0.228 31.942 31.700 0.024 0.000 0.788 285 E N -0.016 120.191 120.200 0.012 0.000 2.068 285 E HA -0.190 4.160 4.350 -0.001 0.000 0.207 285 E C 1.707 178.301 176.600 -0.011 0.000 1.032 285 E CA 1.192 57.589 56.400 -0.005 0.000 0.839 285 E CB -1.504 28.194 29.700 -0.003 0.000 0.758 285 E HN 0.235 nan 8.360 nan 0.000 0.457 286 L N 0.995 122.219 121.223 0.001 0.000 2.749 286 L HA -0.025 4.315 4.340 -0.001 0.000 0.245 286 L C 1.034 177.903 176.870 -0.001 0.000 1.156 286 L CA 0.372 55.209 54.840 -0.004 0.000 0.890 286 L CB -0.316 41.743 42.059 0.001 0.000 1.036 286 L HN 0.167 nan 8.230 nan 0.000 0.441 287 N N -1.426 117.272 118.700 -0.003 0.000 2.113 287 N HA 0.030 4.769 4.740 -0.001 0.000 0.223 287 N C 0.500 175.995 175.510 -0.026 0.000 1.310 287 N CA 0.105 53.151 53.050 -0.006 0.000 0.896 287 N CB 0.872 39.362 38.487 0.006 0.000 1.097 287 N HN 0.217 nan 8.380 nan 0.000 0.507 288 S N 0.526 116.198 115.700 -0.046 0.000 2.579 288 S HA 0.346 4.816 4.470 -0.001 0.000 0.275 288 S C 0.286 174.798 174.600 -0.146 0.000 1.345 288 S CA -0.260 57.889 58.200 -0.086 0.000 1.031 288 S CB 1.738 64.886 63.200 -0.087 0.000 0.892 288 S HN -0.098 nan 8.310 nan 0.000 0.529 289 V N 2.919 122.700 119.914 -0.220 0.000 2.327 289 V HA 0.342 4.462 4.120 -0.001 0.000 0.272 289 V C -0.223 175.581 176.094 -0.483 0.000 1.019 289 V CA -0.752 61.288 62.300 -0.433 0.000 0.814 289 V CB 0.848 32.440 31.823 -0.384 0.000 1.040 289 V HN 0.906 nan 8.190 nan 0.000 0.440 290 V N 1.240 120.875 119.914 -0.464 0.000 2.370 290 V HA 0.540 4.659 4.120 -0.001 0.000 0.279 290 V C 0.142 176.007 176.094 -0.382 0.000 1.029 290 V CA -0.571 61.524 62.300 -0.342 0.000 0.870 290 V CB 1.016 32.722 31.823 -0.195 0.000 0.984 290 V HN 0.718 nan 8.190 nan 0.000 0.451 291 H N 4.528 123.513 119.070 -0.142 0.000 3.067 291 H HA 0.455 5.011 4.556 -0.000 0.000 0.265 291 H C 0.742 176.065 175.328 -0.008 0.000 1.234 291 H CA 0.751 56.755 56.048 -0.073 0.000 1.452 291 H CB 1.185 30.936 29.762 -0.018 0.000 1.527 291 H HN 1.019 nan 8.280 nan 0.000 0.486 292 G N 3.418 112.275 108.800 0.094 0.000 2.557 292 G HA2 0.166 4.126 3.960 -0.001 0.000 0.302 292 G HA3 0.166 4.126 3.960 -0.001 0.000 0.302 292 G C -1.178 173.838 174.900 0.193 0.000 1.311 292 G CA -1.098 44.058 45.100 0.094 0.000 1.030 292 G HN 0.279 nan 8.290 nan 0.000 0.509 293 P HA -0.039 nan 4.420 nan 0.000 0.215 293 P C 1.105 178.541 177.300 0.227 0.000 1.157 293 P CA 0.985 64.160 63.100 0.126 0.000 0.859 293 P CB 0.327 32.059 31.700 0.052 0.000 0.786 294 E N 0.221 120.533 120.200 0.186 0.000 2.150 294 E HA 0.076 4.426 4.350 -0.001 0.000 0.193 294 E C 1.512 178.297 176.600 0.309 0.000 0.985 294 E CA 1.262 57.784 56.400 0.204 0.000 0.814 294 E CB -0.369 29.384 29.700 0.088 0.000 0.752 294 E HN 0.395 nan 8.360 nan 0.000 0.466 295 G N -0.202 108.709 108.800 0.184 0.000 2.323 295 G HA2 0.310 4.270 3.960 -0.001 0.000 0.291 295 G HA3 0.310 4.270 3.960 -0.001 0.000 0.291 295 G C -1.413 173.389 174.900 -0.164 0.000 1.278 295 G CA -0.915 44.042 45.100 -0.237 0.000 0.860 295 G HN -0.002 nan 8.290 nan 0.000 0.504 296 I N 1.536 121.947 120.570 -0.264 0.000 2.331 296 I HA 0.402 4.571 4.170 -0.001 0.000 0.292 296 I C 0.099 175.911 176.117 -0.507 0.000 0.998 296 I CA -0.389 60.639 61.300 -0.454 0.000 1.267 296 I CB 1.664 39.255 38.000 -0.682 0.000 1.386 296 I HN 0.241 nan 8.210 nan 0.000 0.476 297 S N 6.283 121.661 115.700 -0.537 0.000 2.442 297 S HA 0.587 5.057 4.470 -0.001 0.000 0.297 297 S C -0.606 173.657 174.600 -0.562 0.000 1.131 297 S CA -0.466 57.501 58.200 -0.389 0.000 1.092 297 S CB 0.547 63.607 63.200 -0.234 0.000 0.998 297 S HN 0.245 nan 8.310 nan 0.000 0.478 298 F N 1.175 121.005 119.950 -0.199 0.000 2.480 298 F HA 0.583 5.110 4.527 -0.001 0.000 0.329 298 F C 1.110 176.815 175.800 -0.158 0.000 1.091 298 F CA -0.786 57.101 58.000 -0.188 0.000 0.972 298 F CB 1.099 39.980 39.000 -0.197 0.000 1.150 298 F HN 0.646 nan 8.300 nan 0.000 0.467 299 G N 0.525 109.349 108.800 0.039 0.000 2.544 299 G HA2 0.359 4.319 3.960 -0.001 0.000 0.242 299 G HA3 0.359 4.319 3.960 -0.001 0.000 0.242 299 G C 0.809 175.705 174.900 -0.007 0.000 1.247 299 G CA -0.087 45.009 45.100 -0.007 0.000 0.840 299 G HN 0.963 nan 8.290 nan 0.000 0.578 300 A N 0.950 123.752 122.820 -0.030 0.000 2.131 300 A HA 0.001 4.320 4.320 -0.001 0.000 0.220 300 A C 2.328 179.888 177.584 -0.040 0.000 1.158 300 A CA 2.004 54.016 52.037 -0.042 0.000 0.665 300 A CB -0.122 18.855 19.000 -0.039 0.000 0.795 300 A HN 0.515 nan 8.150 nan 0.000 0.460 301 S N -1.446 114.236 115.700 -0.029 0.000 2.556 301 S HA 0.085 4.555 4.470 -0.001 0.000 0.216 301 S C 0.467 175.041 174.600 -0.043 0.000 0.970 301 S CA -0.425 57.757 58.200 -0.030 0.000 0.912 301 S CB -0.464 62.731 63.200 -0.009 0.000 0.790 301 S HN 0.571 nan 8.310 nan 0.000 0.504 302 C N 4.302 123.574 119.300 -0.046 0.000 2.596 302 C HA 0.174 4.634 4.460 -0.001 0.000 0.414 302 C C -2.107 172.802 174.990 -0.135 0.000 1.396 302 C CA -1.151 57.825 59.018 -0.070 0.000 1.698 302 C CB -0.387 27.337 27.740 -0.026 0.000 2.572 302 C HN 0.298 nan 8.230 nan 0.000 0.604 303 P HA 0.096 nan 4.420 nan 0.000 0.268 303 P C 0.734 177.882 177.300 -0.254 0.000 1.205 303 P CA 0.121 63.099 63.100 -0.203 0.000 0.771 303 P CB 0.371 31.924 31.700 -0.245 0.000 0.858 304 L N 1.689 122.740 121.223 -0.286 0.000 2.261 304 L HA -0.203 4.137 4.340 -0.001 0.000 0.216 304 L C 2.095 178.761 176.870 -0.341 0.000 1.114 304 L CA 1.911 56.524 54.840 -0.378 0.000 0.777 304 L CB -0.814 40.927 42.059 -0.530 0.000 0.910 304 L HN 0.468 nan 8.230 nan 0.000 0.440 305 S N -0.604 114.930 115.700 -0.278 0.000 2.436 305 S HA -0.116 4.354 4.470 -0.001 0.000 0.228 305 S C 1.872 176.342 174.600 -0.217 0.000 1.014 305 S CA 0.343 58.402 58.200 -0.235 0.000 0.950 305 S CB -0.278 62.795 63.200 -0.211 0.000 0.784 305 S HN 0.409 nan 8.310 nan 0.000 0.504 306 L N 1.422 122.512 121.223 -0.222 0.000 2.007 306 L HA -0.019 4.321 4.340 -0.001 0.000 0.205 306 L C 2.473 179.229 176.870 -0.189 0.000 1.073 306 L CA 1.347 56.085 54.840 -0.169 0.000 0.744 306 L CB -0.620 41.358 42.059 -0.134 0.000 0.898 306 L HN 0.228 nan 8.230 nan 0.000 0.435 307 V N 0.563 120.272 119.914 -0.341 0.000 2.250 307 V HA -0.387 3.732 4.120 -0.001 0.000 0.250 307 V C 2.482 178.353 176.094 -0.372 0.000 1.060 307 V CA 2.371 64.312 62.300 -0.598 0.000 1.030 307 V CB -0.704 30.620 31.823 -0.832 0.000 0.643 307 V HN 0.573 nan 8.190 nan 0.000 0.445 308 E N 0.724 120.736 120.200 -0.314 0.000 2.049 308 E HA -0.277 4.073 4.350 -0.001 0.000 0.198 308 E C 2.353 178.850 176.600 -0.171 0.000 1.007 308 E CA 2.168 58.423 56.400 -0.241 0.000 0.809 308 E CB -0.274 29.286 29.700 -0.234 0.000 0.749 308 E HN 0.749 nan 8.360 nan 0.000 0.450 309 S N -0.005 115.607 115.700 -0.146 0.000 2.382 309 S HA -0.150 4.319 4.470 -0.001 0.000 0.228 309 S C 2.187 176.747 174.600 -0.067 0.000 1.027 309 S CA 1.215 59.355 58.200 -0.101 0.000 0.991 309 S CB -0.509 62.634 63.200 -0.094 0.000 0.823 309 S HN 0.272 nan 8.310 nan 0.000 0.469 310 V N 1.829 121.714 119.914 -0.048 0.000 2.307 310 V HA -0.004 4.115 4.120 -0.001 0.000 0.245 310 V C 2.313 178.398 176.094 -0.015 0.000 1.045 310 V CA 1.669 63.973 62.300 0.007 0.000 1.024 310 V CB -0.648 31.237 31.823 0.102 0.000 0.651 310 V HN 0.610 nan 8.190 nan 0.000 0.449 311 L N 0.472 121.650 121.223 -0.076 0.000 2.017 311 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 311 L C 2.905 179.741 176.870 -0.057 0.000 1.073 311 L CA 1.714 56.460 54.840 -0.156 0.000 0.745 311 L CB -1.085 40.829 42.059 -0.242 0.000 0.894 311 L HN 0.445 nan 8.230 nan 0.000 0.432 312 A N -0.051 122.734 122.820 -0.059 0.000 2.032 312 A HA -0.252 4.068 4.320 -0.001 0.000 0.221 312 A C 2.133 179.715 177.584 -0.004 0.000 1.165 312 A CA 1.924 53.941 52.037 -0.033 0.000 0.645 312 A CB -0.443 18.522 19.000 -0.057 0.000 0.807 312 A HN 0.522 nan 8.150 nan 0.000 0.453 313 E N -0.807 119.393 120.200 -0.001 0.000 2.158 313 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 313 E C 1.901 178.528 176.600 0.045 0.000 0.982 313 E CA 0.741 57.150 56.400 0.015 0.000 0.823 313 E CB -0.042 29.665 29.700 0.011 0.000 0.766 313 E HN 0.566 nan 8.360 nan 0.000 0.468 314 E N 1.277 121.522 120.200 0.075 0.000 2.028 314 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 314 E C 2.063 178.770 176.600 0.178 0.000 0.988 314 E CA 0.610 57.105 56.400 0.158 0.000 0.799 314 E CB -0.341 29.502 29.700 0.238 0.000 0.755 314 E HN 0.302 nan 8.360 nan 0.000 0.447 315 I N -0.580 120.092 120.570 0.170 0.000 3.369 315 I HA 0.017 4.187 4.170 -0.001 0.000 0.288 315 I C 1.086 177.249 176.117 0.076 0.000 1.321 315 I CA 1.005 62.387 61.300 0.137 0.000 1.358 315 I CB -0.934 37.137 38.000 0.117 0.000 1.038 315 I HN -0.127 nan 8.210 nan 0.000 0.516 316 A N 1.489 124.346 122.820 0.061 0.000 2.358 316 A HA 0.161 4.480 4.320 -0.001 0.000 0.223 316 A C 1.924 179.525 177.584 0.028 0.000 1.218 316 A CA 0.303 52.360 52.037 0.034 0.000 0.942 316 A CB 0.089 19.101 19.000 0.020 0.000 1.005 316 A HN 0.566 nan 8.150 nan 0.000 0.514 317 K N -1.420 119.002 120.400 0.038 0.000 2.450 317 K HA 0.464 4.783 4.320 -0.001 0.000 0.206 317 K C -0.446 176.169 176.600 0.023 0.000 1.148 317 K CA -0.229 56.071 56.287 0.021 0.000 1.014 317 K CB 0.085 32.590 32.500 0.010 0.000 0.966 317 K HN 0.181 nan 8.250 nan 0.000 0.566 318 L N 2.233 123.486 121.223 0.050 0.000 2.358 318 L HA 0.471 4.811 4.340 -0.001 0.000 0.268 318 L C -2.407 174.478 176.870 0.025 0.000 1.032 318 L CA -2.299 52.566 54.840 0.042 0.000 0.805 318 L CB 0.708 42.827 42.059 0.100 0.000 1.253 318 L HN -0.079 nan 8.230 nan 0.000 0.452 319 P HA 0.036 nan 4.420 nan 0.000 0.267 319 P C 0.336 177.639 177.300 0.005 0.000 1.205 319 P CA -0.114 62.982 63.100 -0.006 0.000 0.765 319 P CB 0.493 32.175 31.700 -0.030 0.000 0.828 320 E N 2.226 122.436 120.200 0.017 0.000 2.339 320 E HA -0.327 4.022 4.350 -0.001 0.000 0.201 320 E C 1.351 177.968 176.600 0.028 0.000 1.015 320 E CA 1.068 57.486 56.400 0.030 0.000 0.841 320 E CB 0.135 29.857 29.700 0.038 0.000 0.754 320 E HN 0.323 nan 8.360 nan 0.000 0.508 321 Q N 0.376 120.183 119.800 0.010 0.000 2.389 321 Q HA -0.003 4.336 4.340 -0.001 0.000 0.204 321 Q C 1.074 177.042 176.000 -0.054 0.000 0.944 321 Q CA 0.962 56.761 55.803 -0.005 0.000 0.908 321 Q CB 0.354 29.082 28.738 -0.017 0.000 1.002 321 Q HN 0.129 nan 8.270 nan 0.000 0.493 322 K N -1.096 119.267 120.400 -0.062 0.000 2.367 322 K HA 0.104 4.424 4.320 -0.001 0.000 0.194 322 K C 0.582 177.079 176.600 -0.171 0.000 1.027 322 K CA 0.987 57.221 56.287 -0.089 0.000 1.075 322 K CB 0.800 33.239 32.500 -0.101 0.000 0.845 322 K HN 0.201 nan 8.250 nan 0.000 0.529 323 T N -1.743 112.725 114.554 -0.143 0.000 3.248 323 T HA 0.214 4.564 4.350 -0.001 0.000 0.271 323 T C 0.975 175.592 174.700 -0.139 0.000 1.005 323 T CA -0.384 61.590 62.100 -0.211 0.000 0.902 323 T CB 0.397 69.292 68.868 0.045 0.000 1.102 323 T HN -0.084 nan 8.240 nan 0.000 0.548 324 E N 1.358 121.482 120.200 -0.127 0.000 2.047 324 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 324 E C 2.177 178.700 176.600 -0.128 0.000 0.987 324 E CA 0.981 57.367 56.400 -0.022 0.000 0.799 324 E CB -0.158 29.592 29.700 0.082 0.000 0.752 324 E HN 0.459 nan 8.360 nan 0.000 0.449 325 V N 1.304 121.037 119.914 -0.302 0.000 2.379 325 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 325 V C 2.227 178.175 176.094 -0.243 0.000 1.044 325 V CA 1.255 63.212 62.300 -0.571 0.000 1.036 325 V CB -0.633 30.917 31.823 -0.454 0.000 0.664 325 V HN 0.074 nan 8.190 nan 0.000 0.453 326 F N 1.228 121.048 119.950 -0.217 0.000 2.069 326 F HA -0.135 4.392 4.527 -0.001 0.000 0.298 326 F C 2.586 178.291 175.800 -0.158 0.000 1.113 326 F CA 1.283 59.191 58.000 -0.153 0.000 1.214 326 F CB -1.186 37.771 39.000 -0.072 0.000 0.978 326 F HN 0.116 nan 8.300 nan 0.000 0.474 327 R N -0.147 120.400 120.500 0.079 0.000 2.237 327 R HA -0.063 4.276 4.340 -0.001 0.000 0.219 327 R C 2.401 178.668 176.300 -0.054 0.000 1.080 327 R CA 0.816 56.923 56.100 0.012 0.000 0.995 327 R CB -0.852 29.464 30.300 0.026 0.000 0.875 327 R HN 0.376 nan 8.270 nan 0.000 0.462 328 G N 0.414 109.131 108.800 -0.140 0.000 2.396 328 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.214 328 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.214 328 G C 1.447 176.236 174.900 -0.185 0.000 1.166 328 G CA 0.224 45.218 45.100 -0.176 0.000 0.793 328 G HN 0.075 nan 8.290 nan 0.000 0.533 329 V N 1.754 121.530 119.914 -0.230 0.000 2.261 329 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 329 V C 2.980 178.975 176.094 -0.164 0.000 1.047 329 V CA 1.829 63.991 62.300 -0.230 0.000 1.015 329 V CB -0.487 31.205 31.823 -0.218 0.000 0.642 329 V HN 0.243 nan 8.190 nan 0.000 0.446 330 M N -0.247 119.274 119.600 -0.132 0.000 2.144 330 M HA -0.223 4.257 4.480 -0.001 0.000 0.260 330 M C 2.224 178.458 176.300 -0.109 0.000 1.067 330 M CA 1.911 57.136 55.300 -0.124 0.000 1.095 330 M CB -1.267 31.280 32.600 -0.087 0.000 1.365 330 M HN 0.430 nan 8.290 nan 0.000 0.406 331 E N 0.278 120.438 120.200 -0.067 0.000 2.106 331 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 331 E C 2.049 178.683 176.600 0.056 0.000 0.984 331 E CA 1.250 57.649 56.400 -0.002 0.000 0.806 331 E CB 0.018 29.717 29.700 -0.001 0.000 0.750 331 E HN 0.390 nan 8.360 nan 0.000 0.458 332 Q N 0.017 119.827 119.800 0.016 0.000 2.016 332 Q HA -0.067 4.273 4.340 -0.001 0.000 0.200 332 Q C 2.461 178.530 176.000 0.115 0.000 0.978 332 Q CA 1.114 56.975 55.803 0.096 0.000 0.833 332 Q CB -0.479 28.278 28.738 0.031 0.000 0.895 332 Q HN 0.381 nan 8.270 nan 0.000 0.427 333 L N 0.519 121.738 121.223 -0.007 0.000 2.263 333 L HA -0.185 4.154 4.340 -0.001 0.000 0.216 333 L C 2.481 179.259 176.870 -0.152 0.000 1.111 333 L CA 0.934 55.736 54.840 -0.063 0.000 0.773 333 L CB -0.420 41.507 42.059 -0.220 0.000 0.906 333 L HN 0.194 nan 8.230 nan 0.000 0.439 334 R N -0.621 119.677 120.500 -0.336 0.000 2.152 334 R HA -0.167 4.173 4.340 -0.001 0.000 0.232 334 R C 0.584 176.243 176.300 -1.068 0.000 1.117 334 R CA 1.556 57.178 56.100 -0.797 0.000 0.981 334 R CB -0.101 29.531 30.300 -1.113 0.000 0.870 334 R HN 0.435 nan 8.270 nan 0.000 0.451 335 W N -1.192 120.122 121.300 0.024 0.000 2.128 335 W HA 0.267 4.926 4.660 -0.001 0.000 0.356 335 W C -0.577 175.971 176.519 0.048 0.000 0.891 335 W CA -0.863 56.484 57.345 0.004 0.000 2.408 335 W CB 0.002 29.435 29.460 -0.044 0.000 1.234 335 W HN -0.153 nan 8.180 nan 0.000 0.597 336 F N 1.970 121.922 119.950 0.004 0.000 2.293 336 F HA 0.642 5.169 4.527 -0.000 0.000 0.370 336 F C 1.094 176.887 175.800 -0.011 0.000 1.090 336 F CA -0.147 57.853 58.000 0.001 0.000 1.133 336 F CB -0.086 38.888 39.000 -0.044 0.000 1.360 336 F HN 0.143 nan 8.300 nan 0.000 0.489 337 A N 3.385 126.295 122.820 0.151 0.000 5.479 337 A HA 0.014 4.334 4.320 -0.001 0.000 0.301 337 A C 0.612 178.273 177.584 0.128 0.000 1.961 337 A CA 0.808 52.932 52.037 0.146 0.000 0.716 337 A CB -1.944 17.196 19.000 0.233 0.000 1.266 337 A HN 1.473 nan 8.150 nan 0.000 0.372 338 G N -3.515 105.355 108.800 0.117 0.000 2.870 338 G HA2 0.540 4.500 3.960 -0.001 0.000 0.299 338 G HA3 0.540 4.500 3.960 -0.001 0.000 0.299 338 G C 0.256 175.181 174.900 0.042 0.000 1.324 338 G CA 0.547 45.688 45.100 0.069 0.000 0.808 338 G HN 0.672 nan 8.290 nan 0.000 0.535 339 K N -0.450 119.960 120.400 0.017 0.000 2.063 339 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 339 K C 2.630 179.254 176.600 0.040 0.000 1.048 339 K CA 1.724 58.011 56.287 0.001 0.000 0.928 339 K CB -0.289 32.203 32.500 -0.013 0.000 0.713 339 K HN 0.469 nan 8.250 nan 0.000 0.442 340 Q N 0.169 120.015 119.800 0.078 0.000 2.096 340 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 340 Q C 2.208 178.266 176.000 0.097 0.000 0.982 340 Q CA 1.309 57.176 55.803 0.106 0.000 0.850 340 Q CB -0.341 28.467 28.738 0.118 0.000 0.901 340 Q HN 0.042 nan 8.270 nan 0.000 0.422 341 V N 0.731 120.700 119.914 0.091 0.000 2.346 341 V HA -0.181 3.939 4.120 -0.001 0.000 0.244 341 V C 1.827 177.951 176.094 0.051 0.000 1.037 341 V CA 1.564 63.921 62.300 0.095 0.000 1.029 341 V CB -0.391 31.515 31.823 0.138 0.000 0.663 341 V HN 0.306 nan 8.190 nan 0.000 0.454 342 K N 0.242 120.651 120.400 0.016 0.000 2.360 342 K HA -0.083 4.237 4.320 -0.001 0.000 0.201 342 K C 2.193 178.706 176.600 -0.145 0.000 1.046 342 K CA 1.291 57.521 56.287 -0.094 0.000 0.945 342 K CB -0.190 32.228 32.500 -0.135 0.000 0.750 342 K HN 0.367 nan 8.250 nan 0.000 0.464 343 S N 0.509 116.140 115.700 -0.114 0.000 2.489 343 S HA -0.058 4.411 4.470 -0.001 0.000 0.228 343 S C 1.845 176.249 174.600 -0.328 0.000 0.995 343 S CA 1.119 59.172 58.200 -0.245 0.000 0.934 343 S CB 0.202 63.320 63.200 -0.136 0.000 0.771 343 S HN 0.307 nan 8.310 nan 0.000 0.522 344 V N -2.676 117.153 119.914 -0.142 0.000 3.480 344 V HA 0.586 4.705 4.120 -0.001 0.000 0.263 344 V C 0.615 176.677 176.094 -0.052 0.000 1.442 344 V CA -0.070 62.176 62.300 -0.090 0.000 1.053 344 V CB -0.563 31.277 31.823 0.028 0.000 0.846 344 V HN 0.248 nan 8.190 nan 0.000 0.440 345 A N 2.586 125.383 122.820 -0.039 0.000 2.492 345 A HA 0.621 4.941 4.320 -0.001 0.000 0.254 345 A C 0.712 178.250 177.584 -0.078 0.000 1.091 345 A CA 0.738 52.765 52.037 -0.016 0.000 0.768 345 A CB -0.206 18.822 19.000 0.046 0.000 1.028 345 A HN 0.991 nan 8.150 nan 0.000 0.498 346 S N 2.477 118.145 115.700 -0.054 0.000 2.672 346 S HA 0.509 4.979 4.470 -0.001 0.000 0.276 346 S C 1.234 175.788 174.600 -0.077 0.000 1.207 346 S CA -0.128 58.022 58.200 -0.082 0.000 1.002 346 S CB 0.646 63.812 63.200 -0.057 0.000 0.998 346 S HN 0.847 nan 8.310 nan 0.000 0.542 347 I N -0.681 119.824 120.570 -0.109 0.000 2.133 347 I HA 0.132 4.302 4.170 -0.001 0.000 0.238 347 I C 2.400 178.499 176.117 -0.030 0.000 1.074 347 I CA 1.382 62.630 61.300 -0.086 0.000 1.342 347 I CB -1.592 36.311 38.000 -0.161 0.000 1.053 347 I HN 0.719 nan 8.210 nan 0.000 0.404 348 G N 0.925 109.695 108.800 -0.050 0.000 2.485 348 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.221 348 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.221 348 G C 1.623 176.533 174.900 0.017 0.000 1.115 348 G CA 0.976 46.063 45.100 -0.021 0.000 0.751 348 G HN 0.600 nan 8.290 nan 0.000 0.567 349 G N 0.414 109.221 108.800 0.012 0.000 2.403 349 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 349 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 349 G C 1.681 176.621 174.900 0.067 0.000 1.154 349 G CA 0.948 46.062 45.100 0.024 0.000 0.784 349 G HN 0.474 nan 8.290 nan 0.000 0.538 350 N N 0.658 119.422 118.700 0.107 0.000 2.188 350 N HA -0.102 4.638 4.740 -0.001 0.000 0.184 350 N C 2.124 177.745 175.510 0.185 0.000 1.018 350 N CA 0.792 53.946 53.050 0.173 0.000 0.858 350 N CB -0.076 38.567 38.487 0.261 0.000 0.989 350 N HN 0.135 nan 8.380 nan 0.000 0.426 351 I N 1.995 122.682 120.570 0.195 0.000 2.090 351 I HA -0.226 3.944 4.170 -0.001 0.000 0.236 351 I C 2.282 178.575 176.117 0.294 0.000 1.064 351 I CA 0.823 62.295 61.300 0.287 0.000 1.324 351 I CB -1.321 36.800 38.000 0.201 0.000 1.044 351 I HN 0.094 nan 8.210 nan 0.000 0.399 352 I N 0.852 121.533 120.570 0.184 0.000 2.454 352 I HA -0.195 3.974 4.170 -0.001 0.000 0.254 352 I C 2.525 178.669 176.117 0.045 0.000 1.156 352 I CA 1.132 62.503 61.300 0.117 0.000 1.433 352 I CB -2.082 35.949 38.000 0.051 0.000 1.082 352 I HN 0.229 nan 8.210 nan 0.000 0.432 353 T N 1.478 116.051 114.554 0.032 0.000 2.737 353 T HA -0.128 4.222 4.350 -0.001 0.000 0.269 353 T C 1.398 176.056 174.700 -0.070 0.000 1.040 353 T CA 1.700 63.789 62.100 -0.019 0.000 1.142 353 T CB -0.376 68.492 68.868 0.000 0.000 0.861 353 T HN 0.590 nan 8.240 nan 0.000 0.456 354 A N 1.166 123.949 122.820 -0.061 0.000 2.869 354 A HA -0.151 4.169 4.320 -0.001 0.000 0.280 354 A C 0.914 178.339 177.584 -0.265 0.000 1.458 354 A CA 0.739 52.645 52.037 -0.220 0.000 0.776 354 A CB -2.257 16.637 19.000 -0.176 0.000 1.028 354 A HN 0.578 nan 8.150 nan 0.000 0.547 355 S N 0.357 115.956 115.700 -0.168 0.000 2.531 355 S HA 0.460 4.929 4.470 -0.001 0.000 0.279 355 S C -0.073 174.458 174.600 -0.115 0.000 1.305 355 S CA -0.753 57.374 58.200 -0.122 0.000 1.058 355 S CB 0.662 63.824 63.200 -0.064 0.000 0.899 355 S HN 0.400 nan 8.310 nan 0.000 0.493 356 P HA -0.131 nan 4.420 nan 0.000 0.218 356 P C 0.872 178.160 177.300 -0.021 0.000 1.146 356 P CA 1.125 64.209 63.100 -0.026 0.000 0.813 356 P CB -0.344 31.387 31.700 0.052 0.000 0.778 357 I N -3.543 117.014 120.570 -0.021 0.000 3.855 357 I HA 0.237 4.407 4.170 -0.001 0.000 0.327 357 I C 0.774 176.870 176.117 -0.034 0.000 1.359 357 I CA -1.071 60.218 61.300 -0.019 0.000 1.142 357 I CB -1.306 36.678 38.000 -0.026 0.000 1.041 357 I HN -0.242 nan 8.210 nan 0.000 0.403 358 S N 1.326 117.003 115.700 -0.037 0.000 2.558 358 S HA 0.025 4.495 4.470 -0.001 0.000 0.288 358 S C 0.711 175.314 174.600 0.005 0.000 1.318 358 S CA 0.036 58.225 58.200 -0.017 0.000 1.056 358 S CB 0.318 63.524 63.200 0.011 0.000 0.853 358 S HN 0.450 nan 8.310 nan 0.000 0.505 359 D N 3.513 123.921 120.400 0.013 0.000 2.369 359 D HA 0.230 4.870 4.640 -0.001 0.000 0.211 359 D C 1.074 177.385 176.300 0.019 0.000 1.077 359 D CA 0.288 54.303 54.000 0.024 0.000 0.842 359 D CB 0.192 41.004 40.800 0.021 0.000 0.947 359 D HN 0.455 nan 8.370 nan 0.000 0.509 360 L N -0.279 120.967 121.223 0.038 0.000 2.547 360 L HA 0.136 4.476 4.340 -0.001 0.000 0.218 360 L C 1.705 178.494 176.870 -0.136 0.000 1.048 360 L CA 0.007 54.736 54.840 -0.185 0.000 0.859 360 L CB 0.055 42.110 42.059 -0.006 0.000 1.128 360 L HN -0.162 nan 8.230 nan 0.000 0.483 361 N N 0.957 119.783 118.700 0.210 0.000 2.094 361 N HA -0.146 4.594 4.740 -0.001 0.000 0.191 361 N C -0.932 174.743 175.510 0.275 0.000 1.023 361 N CA 1.569 54.858 53.050 0.398 0.000 0.857 361 N CB -1.327 37.355 38.487 0.325 0.000 1.013 361 N HN 0.196 nan 8.380 nan 0.000 0.426 362 P HA -0.079 nan 4.420 nan 0.000 0.214 362 P C 1.765 179.112 177.300 0.079 0.000 1.163 362 P CA 0.812 63.967 63.100 0.092 0.000 0.883 362 P CB 0.072 31.785 31.700 0.023 0.000 0.788 363 V N -1.555 118.353 119.914 -0.010 0.000 2.407 363 V HA -0.227 3.893 4.120 -0.001 0.000 0.248 363 V C 2.102 178.230 176.094 0.056 0.000 1.055 363 V CA 1.741 64.070 62.300 0.049 0.000 1.049 363 V CB -1.329 30.349 31.823 -0.242 0.000 0.662 363 V HN -0.023 nan 8.190 nan 0.000 0.455 364 F N -1.028 118.998 119.950 0.125 0.000 2.206 364 F HA -0.072 4.454 4.527 -0.001 0.000 0.298 364 F C 2.293 178.145 175.800 0.087 0.000 1.090 364 F CA 1.544 59.589 58.000 0.075 0.000 1.323 364 F CB -0.675 38.355 39.000 0.050 0.000 1.028 364 F HN 0.074 nan 8.300 nan 0.000 0.492 365 M N 0.076 119.862 119.600 0.309 0.000 2.099 365 M HA -0.039 4.441 4.480 -0.001 0.000 0.262 365 M C 1.922 178.332 176.300 0.183 0.000 1.067 365 M CA 1.779 57.211 55.300 0.221 0.000 1.124 365 M CB -0.254 32.509 32.600 0.271 0.000 1.353 365 M HN 0.046 nan 8.290 nan 0.000 0.410 366 A N -0.009 122.919 122.820 0.180 0.000 2.250 366 A HA 0.028 4.348 4.320 -0.001 0.000 0.208 366 A C 1.367 179.098 177.584 0.244 0.000 1.254 366 A CA 1.120 53.230 52.037 0.121 0.000 0.858 366 A CB -0.809 18.168 19.000 -0.038 0.000 0.820 366 A HN 0.707 nan 8.150 nan 0.000 0.484 367 S N -3.088 112.783 115.700 0.285 0.000 2.904 367 S HA 0.397 4.867 4.470 -0.001 0.000 0.260 367 S C 0.859 175.556 174.600 0.162 0.000 1.000 367 S CA 0.770 59.149 58.200 0.298 0.000 1.274 367 S CB -0.736 62.661 63.200 0.328 0.000 1.196 367 S HN 1.904 nan 8.310 nan 0.000 0.678 368 G N 1.824 110.702 108.800 0.130 0.000 2.363 368 G HA2 0.076 4.036 3.960 -0.001 0.000 0.286 368 G HA3 0.076 4.036 3.960 -0.001 0.000 0.286 368 G C 0.282 175.203 174.900 0.035 0.000 0.975 368 G CA -0.032 45.106 45.100 0.064 0.000 1.309 368 G HN 1.490 nan 8.290 nan 0.000 0.491 369 A N 1.280 124.118 122.820 0.031 0.000 2.409 369 A HA 0.625 4.945 4.320 -0.001 0.000 0.262 369 A C 0.770 178.279 177.584 -0.126 0.000 1.113 369 A CA 0.060 52.082 52.037 -0.025 0.000 0.790 369 A CB 0.528 19.508 19.000 -0.033 0.000 1.046 369 A HN 0.713 nan 8.150 nan 0.000 0.496 370 K N 3.272 123.606 120.400 -0.110 0.000 2.284 370 K HA 0.437 4.756 4.320 -0.001 0.000 0.287 370 K C -1.083 175.415 176.600 -0.171 0.000 1.081 370 K CA -0.055 56.155 56.287 -0.128 0.000 0.910 370 K CB 0.045 32.496 32.500 -0.080 0.000 1.088 370 K HN 0.683 nan 8.250 nan 0.000 0.478 371 L N 3.946 125.036 121.223 -0.221 0.000 2.295 371 L HA 0.346 4.686 4.340 -0.001 0.000 0.285 371 L C 0.017 176.801 176.870 -0.144 0.000 1.035 371 L CA -0.895 53.810 54.840 -0.224 0.000 0.806 371 L CB 1.706 43.556 42.059 -0.349 0.000 1.214 371 L HN 0.573 nan 8.230 nan 0.000 0.426 372 T N 4.263 118.754 114.554 -0.105 0.000 2.875 372 T HA 0.615 4.965 4.350 -0.001 0.000 0.284 372 T C -0.116 174.556 174.700 -0.046 0.000 0.995 372 T CA -0.431 61.628 62.100 -0.068 0.000 1.060 372 T CB 1.317 70.149 68.868 -0.061 0.000 0.967 372 T HN 0.325 nan 8.240 nan 0.000 0.476 373 L N 3.504 124.710 121.223 -0.028 0.000 2.406 373 L HA 0.571 4.910 4.340 -0.001 0.000 0.270 373 L C -0.053 176.810 176.870 -0.011 0.000 0.982 373 L CA -1.172 53.662 54.840 -0.010 0.000 0.843 373 L CB 1.449 43.516 42.059 0.012 0.000 1.225 373 L HN 0.472 nan 8.230 nan 0.000 0.412 374 V N 0.197 120.104 119.914 -0.013 0.000 2.966 374 V HA 0.915 5.035 4.120 -0.001 0.000 0.317 374 V C -0.059 176.028 176.094 -0.011 0.000 1.070 374 V CA -0.466 61.826 62.300 -0.013 0.000 1.008 374 V CB 1.829 33.643 31.823 -0.015 0.000 1.070 374 V HN 0.783 nan 8.190 nan 0.000 0.457 375 S N 1.417 117.110 115.700 -0.011 0.000 2.543 375 S HA 0.413 4.883 4.470 -0.001 0.000 0.274 375 S C -0.554 174.039 174.600 -0.011 0.000 1.149 375 S CA -0.912 57.281 58.200 -0.011 0.000 0.866 375 S CB 1.669 64.863 63.200 -0.011 0.000 1.111 375 S HN 1.220 nan 8.310 nan 0.000 0.457 376 R N 1.909 122.402 120.500 -0.012 0.000 2.638 376 R HA 0.311 4.650 4.340 -0.001 0.000 0.351 376 R C 1.446 177.739 176.300 -0.010 0.000 0.871 376 R CA 1.969 58.063 56.100 -0.011 0.000 1.091 376 R CB -0.983 29.309 30.300 -0.013 0.000 0.900 376 R HN 1.383 nan 8.270 nan 0.000 0.405 377 G N 2.308 111.103 108.800 -0.009 0.000 2.420 377 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.221 377 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.221 377 G C 0.237 175.132 174.900 -0.008 0.000 1.117 377 G CA 0.275 45.370 45.100 -0.008 0.000 0.657 377 G HN 0.823 nan 8.290 nan 0.000 0.512 378 T N -1.376 113.173 114.554 -0.009 0.000 2.899 378 T HA 0.658 5.007 4.350 -0.001 0.000 0.284 378 T C -0.060 174.634 174.700 -0.010 0.000 1.004 378 T CA 0.542 62.637 62.100 -0.009 0.000 1.043 378 T CB 1.996 70.859 68.868 -0.008 0.000 1.013 378 T HN 1.007 nan 8.240 nan 0.000 0.518 379 R N 1.633 122.127 120.500 -0.010 0.000 2.792 379 R HA 0.301 4.640 4.340 -0.001 0.000 0.285 379 R C -0.860 175.432 176.300 -0.013 0.000 1.207 379 R CA -0.660 55.432 56.100 -0.013 0.000 1.091 379 R CB 1.029 31.320 30.300 -0.014 0.000 1.263 379 R HN 1.069 nan 8.270 nan 0.000 0.403 380 R N 0.952 121.443 120.500 -0.014 0.000 2.922 380 R HA 0.726 5.065 4.340 -0.001 0.000 0.256 380 R C -1.210 175.076 176.300 -0.024 0.000 1.138 380 R CA -0.811 55.279 56.100 -0.016 0.000 0.995 380 R CB 2.098 32.392 30.300 -0.010 0.000 1.226 380 R HN 0.280 nan 8.270 nan 0.000 0.481 381 T N 0.437 114.974 114.554 -0.029 0.000 2.916 381 T HA 0.552 4.901 4.350 -0.001 0.000 0.305 381 T C -1.031 173.637 174.700 -0.054 0.000 1.119 381 T CA -0.582 61.490 62.100 -0.046 0.000 1.008 381 T CB 1.854 70.695 68.868 -0.046 0.000 1.129 381 T HN 0.687 nan 8.240 nan 0.000 0.480 382 V N -0.103 119.758 119.914 -0.087 0.000 3.202 382 V HA 0.854 4.974 4.120 -0.001 0.000 0.306 382 V C -1.755 174.243 176.094 -0.160 0.000 1.283 382 V CA -1.325 60.912 62.300 -0.105 0.000 1.065 382 V CB 2.364 34.130 31.823 -0.096 0.000 1.079 382 V HN 0.717 nan 8.190 nan 0.000 0.448 383 R N 1.511 121.918 120.500 -0.155 0.000 2.637 383 R HA 0.573 4.913 4.340 -0.001 0.000 0.291 383 R C -0.576 175.585 176.300 -0.231 0.000 0.963 383 R CA -0.903 55.101 56.100 -0.160 0.000 0.901 383 R CB 1.799 32.054 30.300 -0.076 0.000 1.160 383 R HN 1.029 nan 8.270 nan 0.000 0.457 384 M N 2.857 122.291 119.600 -0.277 0.000 2.246 384 M HA 0.019 4.499 4.480 -0.001 0.000 0.350 384 M C -0.735 175.508 176.300 -0.094 0.000 1.406 384 M CA 0.968 56.073 55.300 -0.325 0.000 1.089 384 M CB 0.152 32.600 32.600 -0.254 0.000 1.782 384 M HN 0.715 nan 8.290 nan 0.000 0.457 385 D N 1.476 121.837 120.400 -0.064 0.000 2.725 385 D HA 0.097 4.737 4.640 -0.001 0.000 0.292 385 D C 0.669 176.997 176.300 0.046 0.000 1.288 385 D CA -0.538 53.493 54.000 0.052 0.000 0.784 385 D CB 0.217 41.037 40.800 0.033 0.000 1.308 385 D HN 0.686 nan 8.370 nan 0.000 0.429 386 H N -1.096 118.048 119.070 0.123 0.000 2.501 386 H HA -0.190 4.366 4.556 -0.001 0.000 0.296 386 H C 1.226 176.627 175.328 0.121 0.000 1.115 386 H CA 2.122 58.259 56.048 0.149 0.000 1.242 386 H CB -0.901 28.935 29.762 0.123 0.000 1.363 386 H HN 0.475 nan 8.280 nan 0.000 0.537 387 T N -0.242 113.995 114.554 -0.529 0.000 2.985 387 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 387 T C 1.514 176.149 174.700 -0.108 0.000 1.076 387 T CA 0.563 62.478 62.100 -0.308 0.000 1.135 387 T CB -0.597 68.075 68.868 -0.328 0.000 0.890 387 T HN 0.312 nan 8.240 nan 0.000 0.480 388 F N 1.127 120.891 119.950 -0.310 0.000 2.216 388 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 388 F C 0.251 175.814 175.800 -0.395 0.000 1.085 388 F CA 0.565 58.307 58.000 -0.429 0.000 1.326 388 F CB -0.148 38.435 39.000 -0.694 0.000 1.027 388 F HN 0.169 nan 8.300 nan 0.000 0.497 389 F N 1.050 120.975 119.950 -0.041 0.000 2.344 389 F HA 0.278 4.805 4.527 -0.001 0.000 0.344 389 F C -1.566 174.210 175.800 -0.040 0.000 1.140 389 F CA -2.228 55.709 58.000 -0.104 0.000 1.256 389 F CB -0.066 38.950 39.000 0.025 0.000 1.573 389 F HN -0.135 nan 8.300 nan 0.000 0.547 390 P HA -0.156 nan 4.420 nan 0.000 0.203 390 P C 1.046 178.405 177.300 0.099 0.000 1.087 390 P CA 1.264 64.401 63.100 0.062 0.000 0.952 390 P CB 0.176 31.883 31.700 0.013 0.000 0.758 391 G N -3.380 105.472 108.800 0.087 0.000 3.107 391 G HA2 0.341 4.300 3.960 -0.001 0.000 0.232 391 G HA3 0.341 4.300 3.960 -0.001 0.000 0.232 391 G C -1.344 173.641 174.900 0.140 0.000 1.339 391 G CA -0.484 44.684 45.100 0.114 0.000 1.033 391 G HN 0.093 nan 8.290 nan 0.000 0.567 392 Y N 1.787 122.100 120.300 0.022 0.000 2.802 392 Y HA 0.053 4.603 4.550 -0.001 0.000 0.333 392 Y C 1.573 177.476 175.900 0.004 0.000 1.244 392 Y CA 0.283 58.388 58.100 0.008 0.000 1.558 392 Y CB -0.136 38.332 38.460 0.014 0.000 1.233 392 Y HN 0.583 nan 8.280 nan 0.000 0.547 393 R N 3.282 123.522 120.500 -0.433 0.000 3.225 393 R HA -0.261 4.079 4.340 -0.001 0.000 0.245 393 R C -0.636 175.546 176.300 -0.196 0.000 0.928 393 R CA 1.068 56.917 56.100 -0.418 0.000 0.632 393 R CB -1.351 28.545 30.300 -0.673 0.000 1.038 393 R HN 0.652 nan 8.270 nan 0.000 0.461 394 K N -0.402 119.945 120.400 -0.088 0.000 2.466 394 K HA 0.558 4.878 4.320 -0.001 0.000 0.260 394 K C 0.110 176.676 176.600 -0.057 0.000 1.011 394 K CA -0.450 55.804 56.287 -0.056 0.000 0.871 394 K CB 2.397 34.882 32.500 -0.025 0.000 1.404 394 K HN 0.246 nan 8.250 nan 0.000 0.450 395 T N -2.886 111.570 114.554 -0.163 0.000 2.754 395 T HA 0.331 4.681 4.350 -0.001 0.000 0.296 395 T C 0.942 175.433 174.700 -0.348 0.000 1.205 395 T CA -0.916 60.921 62.100 -0.438 0.000 1.009 395 T CB 0.429 68.899 68.868 -0.663 0.000 1.368 395 T HN 0.400 nan 8.240 nan 0.000 0.509 396 L N -0.247 120.702 121.223 -0.457 0.000 2.131 396 L HA 0.106 4.446 4.340 -0.001 0.000 0.210 396 L C 0.605 177.432 176.870 -0.071 0.000 1.092 396 L CA 0.528 55.274 54.840 -0.157 0.000 0.759 396 L CB -0.800 41.260 42.059 0.001 0.000 0.903 396 L HN 0.477 nan 8.230 nan 0.000 0.435 397 L N 1.015 122.199 121.223 -0.065 0.000 2.615 397 L HA -0.094 4.245 4.340 -0.001 0.000 0.284 397 L C 0.838 177.692 176.870 -0.027 0.000 1.237 397 L CA 1.021 55.850 54.840 -0.017 0.000 0.905 397 L CB -0.284 41.771 42.059 -0.007 0.000 1.149 397 L HN 0.118 nan 8.230 nan 0.000 0.499 398 R N 4.639 125.131 120.500 -0.013 0.000 2.615 398 R HA 0.155 4.495 4.340 -0.001 0.000 0.270 398 R C -1.428 174.864 176.300 -0.013 0.000 1.081 398 R CA -1.487 54.605 56.100 -0.013 0.000 1.154 398 R CB -0.237 30.058 30.300 -0.009 0.000 1.063 398 R HN 0.392 nan 8.270 nan 0.000 0.519 399 P HA -0.245 nan 4.420 nan 0.000 0.217 399 P C 0.796 178.090 177.300 -0.010 0.000 1.148 399 P CA 1.410 64.505 63.100 -0.008 0.000 0.834 399 P CB 0.168 31.868 31.700 -0.001 0.000 0.783 400 E N -0.538 119.655 120.200 -0.011 0.000 2.474 400 E HA 0.029 4.378 4.350 -0.001 0.000 0.195 400 E C 0.198 176.790 176.600 -0.014 0.000 1.039 400 E CA 0.340 56.733 56.400 -0.013 0.000 0.881 400 E CB -0.177 29.514 29.700 -0.015 0.000 0.970 400 E HN 0.317 nan 8.360 nan 0.000 0.486 401 E N 0.848 121.040 120.200 -0.012 0.000 2.314 401 E HA 0.504 4.854 4.350 -0.001 0.000 0.262 401 E C -0.120 176.473 176.600 -0.012 0.000 1.093 401 E CA -0.734 55.660 56.400 -0.010 0.000 0.908 401 E CB 1.212 30.910 29.700 -0.003 0.000 1.091 401 E HN 0.183 nan 8.360 nan 0.000 0.425 402 I N -1.559 119.005 120.570 -0.011 0.000 2.802 402 I HA 0.296 4.466 4.170 -0.001 0.000 0.298 402 I C -1.187 174.926 176.117 -0.006 0.000 1.176 402 I CA -1.295 59.996 61.300 -0.014 0.000 1.025 402 I CB 1.041 39.025 38.000 -0.027 0.000 1.243 402 I HN 0.283 nan 8.210 nan 0.000 0.424 403 L N 4.615 125.838 121.223 -0.000 0.000 2.433 403 L HA 0.266 4.605 4.340 -0.001 0.000 0.275 403 L C 0.528 177.384 176.870 -0.023 0.000 1.128 403 L CA 0.222 55.061 54.840 -0.001 0.000 0.875 403 L CB 0.678 42.745 42.059 0.013 0.000 1.171 403 L HN 0.889 nan 8.230 nan 0.000 0.463 404 L N 4.226 125.431 121.223 -0.031 0.000 2.084 404 L HA 0.252 4.592 4.340 -0.001 0.000 0.202 404 L C 0.784 177.626 176.870 -0.046 0.000 1.074 404 L CA 1.571 56.389 54.840 -0.036 0.000 0.757 404 L CB -0.106 41.932 42.059 -0.035 0.000 0.918 404 L HN 0.903 nan 8.230 nan 0.000 0.444 405 S N -1.690 113.972 115.700 -0.064 0.000 2.615 405 S HA 0.646 5.116 4.470 -0.001 0.000 0.269 405 S C -1.117 173.417 174.600 -0.110 0.000 1.161 405 S CA -0.938 57.217 58.200 -0.074 0.000 0.817 405 S CB 1.534 64.689 63.200 -0.075 0.000 1.131 405 S HN -0.022 nan 8.310 nan 0.000 0.467 406 I N 0.994 121.498 120.570 -0.109 0.000 2.533 406 I HA 0.516 4.686 4.170 -0.001 0.000 0.290 406 I C -0.353 175.706 176.117 -0.096 0.000 1.056 406 I CA -0.436 60.761 61.300 -0.170 0.000 1.057 406 I CB 1.530 39.347 38.000 -0.306 0.000 1.240 406 I HN 1.023 nan 8.210 nan 0.000 0.423 407 E N 6.623 126.757 120.200 -0.109 0.000 2.092 407 E HA 0.470 4.820 4.350 -0.001 0.000 0.271 407 E C -1.038 175.556 176.600 -0.010 0.000 0.919 407 E CA -0.511 55.847 56.400 -0.070 0.000 0.760 407 E CB 1.125 30.781 29.700 -0.073 0.000 1.106 407 E HN 0.511 nan 8.360 nan 0.000 0.408 408 I N 7.969 128.581 120.570 0.069 0.000 2.322 408 I HA 0.201 4.370 4.170 -0.001 0.000 0.292 408 I C -1.828 174.409 176.117 0.200 0.000 1.060 408 I CA -2.078 59.334 61.300 0.186 0.000 1.309 408 I CB 0.633 38.797 38.000 0.272 0.000 1.415 408 I HN 0.394 nan 8.210 nan 0.000 0.492 409 P HA -0.033 nan 4.420 nan 0.000 0.269 409 P C -1.032 176.190 177.300 -0.130 0.000 1.209 409 P CA 0.222 63.333 63.100 0.018 0.000 0.776 409 P CB 0.484 32.204 31.700 0.033 0.000 0.876 410 Y N 0.325 120.543 120.300 -0.137 0.000 2.336 410 Y HA 0.109 4.659 4.550 -0.000 0.000 0.331 410 Y C 1.548 177.284 175.900 -0.274 0.000 1.211 410 Y CA 0.054 57.929 58.100 -0.375 0.000 1.346 410 Y CB 0.623 38.955 38.460 -0.214 0.000 1.271 410 Y HN 0.321 nan 8.280 nan 0.000 0.538 411 S N 2.662 118.274 115.700 -0.147 0.000 2.499 411 S HA 0.349 4.818 4.470 -0.001 0.000 0.275 411 S C -0.577 173.971 174.600 -0.087 0.000 1.257 411 S CA -1.161 56.978 58.200 -0.102 0.000 1.050 411 S CB 0.528 63.663 63.200 -0.109 0.000 0.937 411 S HN 0.524 nan 8.310 nan 0.000 0.490 412 K N 1.539 121.890 120.400 -0.083 0.000 2.202 412 K HA 0.183 4.503 4.320 -0.001 0.000 0.264 412 K C 0.090 176.605 176.600 -0.142 0.000 1.010 412 K CA -0.529 55.702 56.287 -0.093 0.000 0.940 412 K CB 0.391 32.849 32.500 -0.071 0.000 0.983 412 K HN 0.595 nan 8.250 nan 0.000 0.475 413 E N 0.292 120.420 120.200 -0.120 0.000 2.480 413 E HA 0.030 4.379 4.350 -0.001 0.000 0.258 413 E C 0.610 177.108 176.600 -0.170 0.000 0.984 413 E CA 1.503 57.826 56.400 -0.129 0.000 0.930 413 E CB 0.196 29.849 29.700 -0.079 0.000 0.936 413 E HN 0.718 nan 8.360 nan 0.000 0.466 414 G N 3.401 112.034 108.800 -0.279 0.000 2.132 414 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.228 414 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.228 414 G C 0.049 174.617 174.900 -0.554 0.000 1.000 414 G CA 0.215 45.125 45.100 -0.316 0.000 0.693 414 G HN 0.506 nan 8.290 nan 0.000 0.515 415 E N -0.628 119.114 120.200 -0.765 0.000 2.210 415 E HA 0.723 5.073 4.350 -0.001 0.000 0.266 415 E C -0.939 175.191 176.600 -0.783 0.000 0.883 415 E CA -0.958 55.073 56.400 -0.615 0.000 0.761 415 E CB 1.043 30.585 29.700 -0.263 0.000 1.156 415 E HN 0.054 nan 8.360 nan 0.000 0.412 416 F N 3.024 122.974 119.950 0.001 0.000 2.551 416 F HA 0.548 5.075 4.527 -0.001 0.000 0.316 416 F C -0.755 175.157 175.800 0.187 0.000 1.089 416 F CA -0.801 57.243 58.000 0.073 0.000 0.915 416 F CB 1.388 40.388 39.000 0.001 0.000 1.186 416 F HN 0.374 nan 8.300 nan 0.000 0.456 417 F N 0.529 120.625 119.950 0.242 0.000 2.576 417 F HA 0.741 5.267 4.527 -0.001 0.000 0.313 417 F C -0.491 175.311 175.800 0.004 0.000 1.078 417 F CA -0.275 57.771 58.000 0.077 0.000 0.921 417 F CB 1.917 40.910 39.000 -0.012 0.000 1.232 417 F HN 0.388 nan 8.300 nan 0.000 0.459 418 S N 2.172 117.812 115.700 -0.101 0.000 2.564 418 S HA 0.887 5.356 4.470 -0.001 0.000 0.274 418 S C -1.498 172.908 174.600 -0.322 0.000 1.124 418 S CA -0.615 57.468 58.200 -0.195 0.000 0.869 418 S CB 1.881 64.930 63.200 -0.252 0.000 1.105 418 S HN 0.843 nan 8.310 nan 0.000 0.472 419 A N 2.044 124.551 122.820 -0.522 0.000 2.393 419 A HA 0.909 5.228 4.320 -0.001 0.000 0.306 419 A C -1.582 175.476 177.584 -0.877 0.000 1.050 419 A CA -0.465 51.317 52.037 -0.425 0.000 0.724 419 A CB 0.581 19.498 19.000 -0.138 0.000 1.248 419 A HN 0.565 nan 8.150 nan 0.000 0.424 420 F N 0.665 120.379 119.950 -0.392 0.000 2.603 420 F HA 0.810 5.337 4.527 -0.000 0.000 0.317 420 F C 0.156 175.652 175.800 -0.506 0.000 1.066 420 F CA -0.585 57.012 58.000 -0.671 0.000 0.941 420 F CB 2.544 40.571 39.000 -1.622 0.000 1.291 420 F HN 0.586 nan 8.300 nan 0.000 0.472 421 K N 1.733 122.003 120.400 -0.216 0.000 2.569 421 K HA 0.497 4.817 4.320 -0.001 0.000 0.259 421 K C -2.145 174.512 176.600 0.094 0.000 0.932 421 K CA -0.646 55.636 56.287 -0.008 0.000 0.833 421 K CB 2.177 34.678 32.500 0.003 0.000 1.340 421 K HN 0.636 nan 8.250 nan 0.000 0.429 422 Q N 2.465 122.394 119.800 0.214 0.000 2.284 422 Q HA 0.742 5.082 4.340 -0.001 0.000 0.269 422 Q C -1.995 174.091 176.000 0.143 0.000 1.026 422 Q CA -0.261 55.658 55.803 0.192 0.000 0.831 422 Q CB 2.276 31.201 28.738 0.311 0.000 1.322 422 Q HN 0.780 nan 8.270 nan 0.000 0.419 423 A N 1.568 124.447 122.820 0.099 0.000 3.886 423 A HA 0.728 5.048 4.320 -0.001 0.000 0.217 423 A C -0.017 177.620 177.584 0.088 0.000 0.876 423 A CA 0.157 52.249 52.037 0.091 0.000 0.726 423 A CB 0.451 19.469 19.000 0.030 0.000 1.479 423 A HN 0.613 nan 8.150 nan 0.000 0.792 424 S N -0.816 114.905 115.700 0.035 0.000 2.492 424 S HA 0.238 4.707 4.470 -0.001 0.000 0.218 424 S C 0.734 175.316 174.600 -0.030 0.000 1.016 424 S CA 0.377 58.580 58.200 0.004 0.000 0.916 424 S CB 0.016 63.203 63.200 -0.021 0.000 0.791 424 S HN 0.550 nan 8.310 nan 0.000 0.513 425 R N 0.394 120.868 120.500 -0.044 0.000 2.651 425 R HA 0.436 4.776 4.340 -0.001 0.000 0.278 425 R C 0.514 176.757 176.300 -0.095 0.000 1.010 425 R CA -0.675 55.382 56.100 -0.073 0.000 0.896 425 R CB 1.086 31.345 30.300 -0.068 0.000 1.211 425 R HN -0.062 nan 8.270 nan 0.000 0.456 426 R N 1.190 121.590 120.500 -0.167 0.000 2.096 426 R HA -0.115 4.225 4.340 -0.001 0.000 0.229 426 R C -0.266 176.060 176.300 0.043 0.000 1.134 426 R CA 1.808 57.741 56.100 -0.278 0.000 0.917 426 R CB -0.163 29.847 30.300 -0.483 0.000 0.832 426 R HN 0.586 nan 8.270 nan 0.000 0.430 427 E N 1.395 121.669 120.200 0.124 0.000 2.384 427 E HA -0.014 4.336 4.350 -0.001 0.000 0.266 427 E C -0.601 176.069 176.600 0.116 0.000 1.012 427 E CA 0.095 56.610 56.400 0.192 0.000 0.901 427 E CB 0.461 30.249 29.700 0.147 0.000 0.967 427 E HN 0.131 nan 8.360 nan 0.000 0.435 428 D N 2.221 122.695 120.400 0.124 0.000 3.284 428 D HA -0.226 4.413 4.640 -0.001 0.000 0.205 428 D C -1.158 175.162 176.300 0.033 0.000 1.175 428 D CA 1.047 55.092 54.000 0.074 0.000 0.970 428 D CB -0.358 40.492 40.800 0.084 0.000 0.803 428 D HN 0.407 nan 8.370 nan 0.000 0.386 429 D N 1.469 121.874 120.400 0.008 0.000 2.615 429 D HA 0.433 5.072 4.640 -0.001 0.000 0.267 429 D C -0.491 175.783 176.300 -0.043 0.000 1.236 429 D CA -0.648 53.343 54.000 -0.016 0.000 0.839 429 D CB 1.018 41.811 40.800 -0.011 0.000 1.380 429 D HN 0.220 nan 8.370 nan 0.000 0.433 430 I N 1.342 121.889 120.570 -0.037 0.000 2.365 430 I HA 0.478 4.648 4.170 -0.001 0.000 0.291 430 I C 0.714 176.818 176.117 -0.021 0.000 1.004 430 I CA -0.814 60.457 61.300 -0.048 0.000 1.311 430 I CB 1.448 39.427 38.000 -0.034 0.000 1.401 430 I HN 0.364 nan 8.210 nan 0.000 0.491 431 A N 6.504 129.309 122.820 -0.024 0.000 2.477 431 A HA 0.173 4.492 4.320 -0.001 0.000 0.246 431 A C 1.146 178.747 177.584 0.029 0.000 1.078 431 A CA -0.183 51.864 52.037 0.017 0.000 0.770 431 A CB 0.480 19.494 19.000 0.023 0.000 1.011 431 A HN 0.735 nan 8.150 nan 0.000 0.494 432 K N 0.678 121.114 120.400 0.061 0.000 2.098 432 K HA 0.150 4.470 4.320 -0.001 0.000 0.203 432 K C -0.115 176.501 176.600 0.026 0.000 1.051 432 K CA 1.158 57.473 56.287 0.047 0.000 0.957 432 K CB 0.090 32.661 32.500 0.118 0.000 0.738 432 K HN 0.555 nan 8.250 nan 0.000 0.447 433 V N 1.267 121.229 119.914 0.080 0.000 2.777 433 V HA 0.256 4.376 4.120 -0.001 0.000 0.306 433 V C -0.781 175.491 176.094 0.296 0.000 1.112 433 V CA -0.978 61.417 62.300 0.159 0.000 0.917 433 V CB 2.009 33.883 31.823 0.086 0.000 1.018 433 V HN 0.202 nan 8.190 nan 0.000 0.426 434 T N 0.486 115.185 114.554 0.242 0.000 2.893 434 T HA 0.848 5.198 4.350 -0.001 0.000 0.291 434 T C -0.535 174.238 174.700 0.122 0.000 1.028 434 T CA -0.917 61.272 62.100 0.148 0.000 0.995 434 T CB 2.029 70.934 68.868 0.063 0.000 1.051 434 T HN 0.713 nan 8.240 nan 0.000 0.470 435 S N -0.274 115.419 115.700 -0.012 0.000 2.550 435 S HA 0.766 5.236 4.470 -0.001 0.000 0.270 435 S C -0.807 173.695 174.600 -0.162 0.000 1.145 435 S CA -0.593 57.513 58.200 -0.156 0.000 0.852 435 S CB 1.508 64.555 63.200 -0.256 0.000 1.119 435 S HN 1.323 nan 8.310 nan 0.000 0.465 436 G N 2.749 111.395 108.800 -0.257 0.000 2.574 436 G HA2 0.632 4.592 3.960 -0.001 0.000 0.306 436 G HA3 0.632 4.592 3.960 -0.001 0.000 0.306 436 G C -1.128 173.430 174.900 -0.569 0.000 1.334 436 G CA -0.508 44.446 45.100 -0.243 0.000 0.954 436 G HN 0.594 nan 8.290 nan 0.000 0.500 437 M N 2.328 121.363 119.600 -0.942 0.000 2.253 437 M HA 0.486 4.966 4.480 -0.001 0.000 0.314 437 M C -0.123 175.392 176.300 -1.309 0.000 1.019 437 M CA -0.678 53.989 55.300 -1.056 0.000 0.932 437 M CB 2.900 34.707 32.600 -1.323 0.000 1.606 437 M HN 0.516 nan 8.290 nan 0.000 0.430 438 R N 2.026 122.127 120.500 -0.665 0.000 2.803 438 R HA 0.892 5.232 4.340 -0.001 0.000 0.276 438 R C -2.033 174.324 176.300 0.095 0.000 0.978 438 R CA -0.730 55.195 56.100 -0.291 0.000 0.939 438 R CB 2.402 32.596 30.300 -0.176 0.000 1.179 438 R HN 0.595 nan 8.270 nan 0.000 0.472 439 V N 5.048 125.012 119.914 0.084 0.000 2.777 439 V HA 0.519 4.639 4.120 -0.001 0.000 0.306 439 V C -2.021 173.868 176.094 -0.342 0.000 1.112 439 V CA -0.804 61.416 62.300 -0.133 0.000 0.917 439 V CB 1.974 33.566 31.823 -0.385 0.000 1.018 439 V HN 0.699 nan 8.190 nan 0.000 0.426 440 L N 7.251 128.256 121.223 -0.362 0.000 2.372 440 L HA 0.701 5.040 4.340 -0.001 0.000 0.274 440 L C -1.052 175.640 176.870 -0.296 0.000 0.988 440 L CA 0.025 54.681 54.840 -0.305 0.000 0.833 440 L CB 1.339 43.318 42.059 -0.132 0.000 1.236 440 L HN 0.570 nan 8.230 nan 0.000 0.410 441 F N 3.346 123.261 119.950 -0.058 0.000 2.370 441 F HA 0.448 4.975 4.527 -0.001 0.000 0.324 441 F C 0.945 176.743 175.800 -0.003 0.000 1.116 441 F CA -0.730 57.267 58.000 -0.005 0.000 1.123 441 F CB 0.670 39.668 39.000 -0.003 0.000 1.238 441 F HN 0.252 nan 8.300 nan 0.000 0.536 442 K N 2.161 122.714 120.400 0.255 0.000 2.448 442 K HA 0.143 4.462 4.320 -0.001 0.000 0.278 442 K C -2.416 174.250 176.600 0.111 0.000 1.009 442 K CA -1.470 54.900 56.287 0.137 0.000 0.995 442 K CB 0.116 32.688 32.500 0.120 0.000 0.917 442 K HN 0.179 nan 8.250 nan 0.000 0.481 443 P HA -0.132 nan 4.420 nan 0.000 0.263 443 P C 0.809 178.128 177.300 0.033 0.000 1.168 443 P CA 1.115 64.239 63.100 0.040 0.000 0.759 443 P CB 0.327 32.040 31.700 0.022 0.000 0.782 444 G N 1.498 110.310 108.800 0.020 0.000 2.270 444 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.268 444 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.268 444 G C 0.610 175.504 174.900 -0.010 0.000 0.982 444 G CA 1.085 46.188 45.100 0.004 0.000 0.628 444 G HN 0.831 nan 8.290 nan 0.000 0.544 445 T N -1.701 112.854 114.554 0.001 0.000 2.898 445 T HA 0.703 5.053 4.350 -0.001 0.000 0.283 445 T C 1.268 175.889 174.700 -0.132 0.000 1.059 445 T CA 0.088 62.174 62.100 -0.023 0.000 0.958 445 T CB 1.335 70.223 68.868 0.033 0.000 1.594 445 T HN 1.229 nan 8.240 nan 0.000 0.598 446 I N -2.148 118.329 120.570 -0.155 0.000 3.376 446 I HA 0.512 4.681 4.170 -0.001 0.000 0.326 446 I C -0.616 175.494 176.117 -0.012 0.000 1.538 446 I CA -0.784 60.245 61.300 -0.453 0.000 0.989 446 I CB 0.258 38.063 38.000 -0.325 0.000 1.413 446 I HN 0.444 nan 8.210 nan 0.000 0.547 447 E N 1.803 122.133 120.200 0.217 0.000 2.156 447 E HA 0.366 4.716 4.350 -0.001 0.000 0.279 447 E C -0.349 176.565 176.600 0.522 0.000 0.965 447 E CA -0.939 55.664 56.400 0.338 0.000 0.789 447 E CB 3.005 32.821 29.700 0.193 0.000 1.098 447 E HN 0.143 nan 8.360 nan 0.000 0.397 448 V N 4.075 124.284 119.914 0.491 0.000 2.434 448 V HA -0.125 3.994 4.120 -0.001 0.000 0.281 448 V C 1.377 177.576 176.094 0.175 0.000 1.005 448 V CA 0.821 63.309 62.300 0.313 0.000 1.089 448 V CB 0.461 32.476 31.823 0.320 0.000 0.978 448 V HN 0.813 nan 8.190 nan 0.000 0.474 449 Q N 4.061 123.920 119.800 0.099 0.000 2.259 449 Q HA 0.134 4.474 4.340 -0.001 0.000 0.201 449 Q C 0.271 176.297 176.000 0.044 0.000 0.938 449 Q CA 0.792 56.638 55.803 0.071 0.000 0.872 449 Q CB 0.594 29.366 28.738 0.055 0.000 0.971 449 Q HN 0.856 nan 8.270 nan 0.000 0.494 450 E N 0.185 120.391 120.200 0.010 0.000 2.335 450 E HA 0.416 4.766 4.350 -0.001 0.000 0.280 450 E C -2.082 174.534 176.600 0.026 0.000 0.918 450 E CA -0.471 55.943 56.400 0.023 0.000 0.765 450 E CB 2.320 32.026 29.700 0.010 0.000 1.218 450 E HN 0.083 nan 8.360 nan 0.000 0.425 451 L N 1.853 123.128 121.223 0.086 0.000 2.482 451 L HA 0.522 4.862 4.340 -0.001 0.000 0.269 451 L C -1.511 175.444 176.870 0.141 0.000 0.967 451 L CA -0.128 54.804 54.840 0.153 0.000 0.851 451 L CB 2.022 44.231 42.059 0.250 0.000 1.242 451 L HN 0.422 nan 8.230 nan 0.000 0.404 452 S N 5.372 121.141 115.700 0.115 0.000 2.502 452 S HA 0.807 5.277 4.470 -0.001 0.000 0.304 452 S C -1.183 173.433 174.600 0.025 0.000 1.097 452 S CA -0.525 57.717 58.200 0.071 0.000 1.045 452 S CB 0.821 64.043 63.200 0.038 0.000 1.019 452 S HN 0.583 nan 8.310 nan 0.000 0.481 453 L N 4.567 125.825 121.223 0.058 0.000 2.415 453 L HA 0.506 4.846 4.340 -0.001 0.000 0.268 453 L C -1.098 175.732 176.870 -0.066 0.000 0.984 453 L CA -0.658 54.167 54.840 -0.026 0.000 0.853 453 L CB 1.366 43.565 42.059 0.234 0.000 1.215 453 L HN 0.579 nan 8.230 nan 0.000 0.419 454 C N 2.657 121.780 119.300 -0.296 0.000 2.382 454 C HA 0.760 5.219 4.460 -0.001 0.000 0.327 454 C C -0.103 174.650 174.990 -0.396 0.000 1.250 454 C CA -0.613 58.329 59.018 -0.127 0.000 1.707 454 C CB 0.762 28.509 27.740 0.012 0.000 2.272 454 C HN 0.475 nan 8.230 nan 0.000 0.506 455 F N 0.708 120.712 119.950 0.089 0.000 2.611 455 F HA 0.778 5.305 4.527 -0.000 0.000 0.324 455 F C 0.646 176.487 175.800 0.068 0.000 1.061 455 F CA -0.498 57.552 58.000 0.083 0.000 0.954 455 F CB 1.567 40.608 39.000 0.068 0.000 1.301 455 F HN 0.721 nan 8.300 nan 0.000 0.482 456 G N -0.895 108.059 108.800 0.257 0.000 2.662 456 G HA2 0.501 4.461 3.960 -0.001 0.000 0.302 456 G HA3 0.501 4.461 3.960 -0.001 0.000 0.302 456 G C 0.112 175.081 174.900 0.116 0.000 1.389 456 G CA -0.382 44.801 45.100 0.137 0.000 0.998 456 G HN 1.319 nan 8.290 nan 0.000 0.502 457 G N 1.007 109.841 108.800 0.058 0.000 2.141 457 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.231 457 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.231 457 G C 0.856 175.749 174.900 -0.012 0.000 0.984 457 G CA 0.715 45.824 45.100 0.014 0.000 0.660 457 G HN 0.559 nan 8.290 nan 0.000 0.525 458 M N -0.590 119.014 119.600 0.007 0.000 2.338 458 M HA 0.624 5.104 4.480 -0.001 0.000 0.276 458 M C 1.022 177.305 176.300 -0.029 0.000 1.057 458 M CA 0.871 56.150 55.300 -0.037 0.000 1.079 458 M CB 0.293 32.856 32.600 -0.061 0.000 1.547 458 M HN 1.007 nan 8.290 nan 0.000 0.549 459 A N 0.598 123.419 122.820 0.002 0.000 2.533 459 A HA 0.549 4.869 4.320 -0.001 0.000 0.293 459 A C -0.470 177.127 177.584 0.023 0.000 1.228 459 A CA -0.290 51.752 52.037 0.009 0.000 0.689 459 A CB 0.376 19.397 19.000 0.035 0.000 1.303 459 A HN 0.260 nan 8.150 nan 0.000 0.444 460 D N -0.197 120.225 120.400 0.037 0.000 2.338 460 D HA 0.102 4.742 4.640 -0.001 0.000 0.239 460 D C 0.480 176.875 176.300 0.157 0.000 1.095 460 D CA 0.386 54.440 54.000 0.091 0.000 0.888 460 D CB -0.265 40.566 40.800 0.051 0.000 0.899 460 D HN 0.708 nan 8.370 nan 0.000 0.525 461 R N -2.768 117.779 120.500 0.078 0.000 2.764 461 R HA 0.374 4.714 4.340 -0.001 0.000 0.276 461 R C -1.479 174.828 176.300 0.012 0.000 1.021 461 R CA -0.866 55.243 56.100 0.014 0.000 0.870 461 R CB -0.104 30.235 30.300 0.064 0.000 1.293 461 R HN -0.193 nan 8.270 nan 0.000 0.469 462 T N 2.521 117.038 114.554 -0.062 0.000 2.794 462 T HA 0.446 4.795 4.350 -0.001 0.000 0.296 462 T C 0.333 175.172 174.700 0.232 0.000 0.949 462 T CA -0.353 61.788 62.100 0.067 0.000 1.101 462 T CB -0.047 68.834 68.868 0.021 0.000 0.905 462 T HN 0.401 nan 8.240 nan 0.000 0.516 463 I N -0.497 120.213 120.570 0.234 0.000 3.002 463 I HA 0.879 5.048 4.170 -0.001 0.000 0.310 463 I C -0.292 175.994 176.117 0.281 0.000 1.087 463 I CA -1.049 60.404 61.300 0.254 0.000 1.017 463 I CB 2.372 40.487 38.000 0.191 0.000 1.226 463 I HN 0.479 nan 8.210 nan 0.000 0.443 464 S N 1.564 117.411 115.700 0.246 0.000 2.607 464 S HA 0.761 5.231 4.470 -0.001 0.000 0.303 464 S C -0.052 174.662 174.600 0.190 0.000 1.086 464 S CA -0.406 57.931 58.200 0.228 0.000 0.995 464 S CB 1.764 65.073 63.200 0.182 0.000 1.084 464 S HN 0.932 nan 8.310 nan 0.000 0.507 465 A N 4.275 127.218 122.820 0.205 0.000 3.118 465 A HA 0.350 4.669 4.320 -0.001 0.000 0.256 465 A C 1.254 178.875 177.584 0.062 0.000 1.667 465 A CA -0.317 51.794 52.037 0.123 0.000 1.338 465 A CB -1.131 17.959 19.000 0.151 0.000 1.127 465 A HN 0.901 nan 8.150 nan 0.000 0.634 466 L N -0.790 120.450 121.223 0.028 0.000 2.270 466 L HA -0.266 4.074 4.340 -0.001 0.000 0.217 466 L C 2.400 179.258 176.870 -0.020 0.000 1.107 466 L CA 1.579 56.406 54.840 -0.022 0.000 0.772 466 L CB -0.316 41.673 42.059 -0.117 0.000 0.902 466 L HN 0.581 nan 8.230 nan 0.000 0.439 467 K N -1.020 119.370 120.400 -0.016 0.000 2.102 467 K HA -0.004 4.316 4.320 -0.001 0.000 0.206 467 K C 2.102 178.693 176.600 -0.014 0.000 1.031 467 K CA 1.219 57.495 56.287 -0.019 0.000 0.962 467 K CB -0.221 32.263 32.500 -0.027 0.000 0.811 467 K HN 0.054 nan 8.250 nan 0.000 0.453 468 T N 1.257 115.798 114.554 -0.022 0.000 2.665 468 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 468 T C 2.050 176.742 174.700 -0.012 0.000 1.035 468 T CA 2.261 64.340 62.100 -0.037 0.000 1.151 468 T CB -0.595 68.232 68.868 -0.069 0.000 0.862 468 T HN 0.508 nan 8.240 nan 0.000 0.438 469 T N 0.230 114.799 114.554 0.024 0.000 2.821 469 T HA -0.035 4.315 4.350 -0.001 0.000 0.267 469 T C -0.699 174.038 174.700 0.061 0.000 1.046 469 T CA 0.755 62.893 62.100 0.062 0.000 1.139 469 T CB -1.572 67.355 68.868 0.098 0.000 0.871 469 T HN 0.314 nan 8.240 nan 0.000 0.454 470 P HA -0.015 nan 4.420 nan 0.000 0.216 470 P C 0.824 178.147 177.300 0.040 0.000 1.153 470 P CA 1.111 64.236 63.100 0.041 0.000 0.848 470 P CB -0.197 31.518 31.700 0.025 0.000 0.787 471 K N -0.488 119.927 120.400 0.025 0.000 2.914 471 K HA -0.059 4.261 4.320 -0.001 0.000 0.246 471 K C 0.992 177.610 176.600 0.030 0.000 0.949 471 K CA 0.531 56.829 56.287 0.019 0.000 1.136 471 K CB -0.272 32.227 32.500 -0.001 0.000 0.976 471 K HN 0.095 nan 8.250 nan 0.000 0.473 472 Q N -0.077 119.757 119.800 0.057 0.000 2.040 472 Q HA 0.225 4.565 4.340 -0.001 0.000 0.212 472 Q C -0.584 175.488 176.000 0.121 0.000 0.766 472 Q CA -0.047 55.808 55.803 0.086 0.000 0.967 472 Q CB 0.779 29.579 28.738 0.104 0.000 1.202 472 Q HN 0.231 nan 8.270 nan 0.000 0.446 473 L N 0.254 121.536 121.223 0.099 0.000 2.453 473 L HA 0.143 4.483 4.340 -0.001 0.000 0.272 473 L C 0.786 177.721 176.870 0.108 0.000 1.182 473 L CA 0.463 55.365 54.840 0.104 0.000 0.858 473 L CB 0.500 42.605 42.059 0.077 0.000 1.120 473 L HN 0.227 nan 8.230 nan 0.000 0.474 474 S N -0.540 115.238 115.700 0.130 0.000 2.206 474 S HA -0.207 4.263 4.470 -0.001 0.000 0.241 474 S C 0.620 175.308 174.600 0.147 0.000 1.163 474 S CA 1.208 59.485 58.200 0.128 0.000 1.532 474 S CB -0.990 62.264 63.200 0.090 0.000 1.946 474 S HN 0.719 nan 8.310 nan 0.000 0.590 475 K N 1.484 121.977 120.400 0.155 0.000 2.234 475 K HA 0.390 4.709 4.320 -0.001 0.000 0.251 475 K C 0.315 177.051 176.600 0.228 0.000 1.011 475 K CA 0.286 56.667 56.287 0.156 0.000 0.889 475 K CB 0.212 32.792 32.500 0.133 0.000 1.011 475 K HN 0.200 nan 8.250 nan 0.000 0.505 476 S N 0.123 115.944 115.700 0.203 0.000 2.608 476 S HA 0.167 4.636 4.470 -0.001 0.000 0.291 476 S C -0.829 173.968 174.600 0.328 0.000 1.146 476 S CA -0.773 57.578 58.200 0.252 0.000 1.043 476 S CB 0.717 64.009 63.200 0.153 0.000 1.037 476 S HN 0.514 nan 8.310 nan 0.000 0.520 477 W N 6.166 127.580 121.300 0.191 0.000 2.160 477 W HA 0.114 4.774 4.660 -0.000 0.000 0.464 477 W C -0.215 176.442 176.519 0.230 0.000 0.914 477 W CA -0.044 57.450 57.345 0.248 0.000 1.742 477 W CB -0.542 29.019 29.460 0.168 0.000 1.780 477 W HN 0.721 nan 8.180 nan 0.000 0.307 478 N N 1.250 120.054 118.700 0.173 0.000 2.647 478 N HA 0.031 4.771 4.740 -0.001 0.000 0.266 478 N C 0.481 176.050 175.510 0.098 0.000 1.373 478 N CA -0.481 52.683 53.050 0.190 0.000 0.807 478 N CB 0.936 39.493 38.487 0.117 0.000 1.513 478 N HN 0.044 nan 8.380 nan 0.000 0.505 479 E N 0.345 120.602 120.200 0.095 0.000 2.208 479 E HA -0.297 4.053 4.350 -0.001 0.000 0.202 479 E C 1.394 177.925 176.600 -0.114 0.000 1.014 479 E CA 2.338 58.706 56.400 -0.052 0.000 0.819 479 E CB -0.075 29.640 29.700 0.025 0.000 0.735 479 E HN 0.743 nan 8.360 nan 0.000 0.469 480 E N 0.097 120.263 120.200 -0.056 0.000 2.107 480 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 480 E C 2.163 178.712 176.600 -0.085 0.000 0.982 480 E CA 1.246 57.611 56.400 -0.058 0.000 0.809 480 E CB -0.744 28.943 29.700 -0.021 0.000 0.756 480 E HN 0.460 nan 8.360 nan 0.000 0.459 481 L N -0.092 121.072 121.223 -0.098 0.000 2.093 481 L HA -0.015 4.325 4.340 -0.001 0.000 0.208 481 L C 2.496 179.269 176.870 -0.161 0.000 1.085 481 L CA 1.127 55.899 54.840 -0.114 0.000 0.755 481 L CB -0.230 41.752 42.059 -0.129 0.000 0.904 481 L HN 0.379 nan 8.230 nan 0.000 0.435 482 L N -0.478 120.574 121.223 -0.286 0.000 2.012 482 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 482 L C 2.720 179.511 176.870 -0.131 0.000 1.073 482 L CA 1.468 56.157 54.840 -0.251 0.000 0.748 482 L CB -0.337 41.325 42.059 -0.660 0.000 0.891 482 L HN 0.420 nan 8.230 nan 0.000 0.431 483 Q N -0.818 118.891 119.800 -0.153 0.000 2.124 483 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 483 Q C 2.349 178.277 176.000 -0.120 0.000 0.977 483 Q CA 1.680 57.407 55.803 -0.127 0.000 0.850 483 Q CB -0.549 28.122 28.738 -0.111 0.000 0.901 483 Q HN 0.573 nan 8.270 nan 0.000 0.429 484 S N 0.246 115.875 115.700 -0.118 0.000 2.348 484 S HA -0.110 4.360 4.470 -0.001 0.000 0.221 484 S C 2.098 176.605 174.600 -0.156 0.000 1.033 484 S CA 1.285 59.419 58.200 -0.110 0.000 1.010 484 S CB -0.126 63.025 63.200 -0.083 0.000 0.891 484 S HN 0.174 nan 8.310 nan 0.000 0.442 485 V N 1.349 121.119 119.914 -0.240 0.000 2.244 485 V HA -0.200 3.919 4.120 -0.001 0.000 0.244 485 V C 2.767 178.652 176.094 -0.348 0.000 1.042 485 V CA 1.926 63.977 62.300 -0.415 0.000 1.006 485 V CB -1.151 30.075 31.823 -0.994 0.000 0.641 485 V HN 0.697 nan 8.190 nan 0.000 0.446 486 C N 0.474 119.611 119.300 -0.271 0.000 2.385 486 C HA -0.241 4.219 4.460 -0.001 0.000 0.275 486 C C 3.107 178.017 174.990 -0.133 0.000 1.207 486 C CA 1.112 60.046 59.018 -0.141 0.000 1.760 486 C CB -1.510 26.206 27.740 -0.041 0.000 2.051 486 C HN 0.659 nan 8.230 nan 0.000 0.467 487 A N 0.444 123.187 122.820 -0.128 0.000 1.933 487 A HA 0.072 4.392 4.320 -0.001 0.000 0.218 487 A C 2.375 179.893 177.584 -0.111 0.000 1.175 487 A CA 2.151 54.124 52.037 -0.108 0.000 0.628 487 A CB -1.134 17.808 19.000 -0.095 0.000 0.814 487 A HN 0.588 nan 8.150 nan 0.000 0.444 488 G N -0.133 108.590 108.800 -0.129 0.000 2.404 488 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.215 488 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.215 488 G C 1.559 176.380 174.900 -0.131 0.000 1.174 488 G CA 0.939 45.968 45.100 -0.118 0.000 0.780 488 G HN 0.418 nan 8.290 nan 0.000 0.537 489 L N 0.914 122.035 121.223 -0.170 0.000 1.989 489 L HA -0.125 4.215 4.340 -0.001 0.000 0.211 489 L C 3.439 180.199 176.870 -0.185 0.000 1.071 489 L CA 1.226 55.945 54.840 -0.200 0.000 0.749 489 L CB -0.647 41.270 42.059 -0.237 0.000 0.890 489 L HN 0.297 nan 8.230 nan 0.000 0.431 490 A N -0.188 122.540 122.820 -0.153 0.000 1.986 490 A HA -0.297 4.022 4.320 -0.001 0.000 0.220 490 A C 2.283 179.800 177.584 -0.111 0.000 1.171 490 A CA 2.304 54.265 52.037 -0.128 0.000 0.640 490 A CB -0.544 18.395 19.000 -0.102 0.000 0.811 490 A HN 0.601 nan 8.150 nan 0.000 0.451 491 E N -0.727 119.412 120.200 -0.103 0.000 2.075 491 E HA -0.143 4.207 4.350 -0.001 0.000 0.190 491 E C 2.029 178.579 176.600 -0.083 0.000 0.969 491 E CA 0.873 57.223 56.400 -0.083 0.000 0.815 491 E CB -0.239 29.419 29.700 -0.070 0.000 0.776 491 E HN 0.705 nan 8.360 nan 0.000 0.457 492 E N 0.281 120.425 120.200 -0.093 0.000 2.106 492 E HA -0.088 4.262 4.350 -0.001 0.000 0.192 492 E C 0.818 177.358 176.600 -0.101 0.000 0.984 492 E CA 0.647 56.997 56.400 -0.085 0.000 0.806 492 E CB 0.150 29.803 29.700 -0.079 0.000 0.750 492 E HN 0.293 nan 8.360 nan 0.000 0.458 493 L N 3.078 124.212 121.223 -0.149 0.000 3.048 493 L HA 0.200 4.540 4.340 -0.001 0.000 0.234 493 L C 0.065 176.844 176.870 -0.150 0.000 1.318 493 L CA -0.797 53.937 54.840 -0.176 0.000 1.109 493 L CB 0.200 42.074 42.059 -0.308 0.000 1.480 493 L HN 0.141 nan 8.230 nan 0.000 0.495 494 Q N 1.634 121.370 119.800 -0.107 0.000 2.312 494 Q HA 0.549 4.888 4.340 -0.001 0.000 0.236 494 Q C -1.068 174.885 176.000 -0.078 0.000 0.965 494 Q CA -0.176 55.573 55.803 -0.089 0.000 0.894 494 Q CB 2.153 30.850 28.738 -0.068 0.000 1.225 494 Q HN 0.357 nan 8.270 nan 0.000 0.478 495 L N 0.749 121.931 121.223 -0.069 0.000 2.354 495 L HA 0.706 5.046 4.340 -0.001 0.000 0.269 495 L C -0.360 176.485 176.870 -0.042 0.000 1.005 495 L CA -1.427 53.377 54.840 -0.059 0.000 0.819 495 L CB 2.158 44.176 42.059 -0.068 0.000 1.311 495 L HN 0.852 nan 8.230 nan 0.000 0.423 496 A N 2.648 125.447 122.820 -0.035 0.000 2.454 496 A HA 0.384 4.704 4.320 -0.001 0.000 0.260 496 A C -1.784 175.791 177.584 -0.015 0.000 1.106 496 A CA -1.090 50.934 52.037 -0.022 0.000 0.780 496 A CB 0.082 19.072 19.000 -0.017 0.000 1.044 496 A HN 0.607 nan 8.150 nan 0.000 0.498 497 P HA -0.216 nan 4.420 nan 0.000 0.217 497 P C 0.426 177.734 177.300 0.014 0.000 1.148 497 P CA 2.021 65.122 63.100 0.001 0.000 0.834 497 P CB 0.028 31.730 31.700 0.003 0.000 0.783 498 D N -2.054 118.355 120.400 0.016 0.000 2.370 498 D HA 0.249 4.889 4.640 -0.001 0.000 0.230 498 D C 0.246 176.566 176.300 0.033 0.000 1.143 498 D CA -0.446 53.575 54.000 0.035 0.000 0.834 498 D CB -0.509 40.310 40.800 0.031 0.000 0.944 498 D HN 0.035 nan 8.370 nan 0.000 0.504 499 A N 1.746 124.569 122.820 0.006 0.000 2.407 499 A HA 0.409 4.728 4.320 -0.001 0.000 0.248 499 A C -1.826 175.733 177.584 -0.041 0.000 1.082 499 A CA -1.175 50.848 52.037 -0.024 0.000 0.785 499 A CB 0.019 18.989 19.000 -0.049 0.000 1.020 499 A HN 0.223 nan 8.150 nan 0.000 0.489 500 P HA 0.224 nan 4.420 nan 0.000 0.267 500 P C 0.956 177.988 177.300 -0.446 0.000 1.200 500 P CA 1.279 64.263 63.100 -0.194 0.000 0.772 500 P CB 0.893 32.500 31.700 -0.155 0.000 0.855 501 G N 1.069 109.228 108.800 -1.069 0.000 2.454 501 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.225 501 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.225 501 G C 0.623 175.088 174.900 -0.725 0.000 1.138 501 G CA 0.321 44.741 45.100 -1.132 0.000 0.667 501 G HN 1.088 nan 8.290 nan 0.000 0.512 502 G N -0.364 108.261 108.800 -0.291 0.000 2.593 502 G HA2 0.100 4.060 3.960 -0.001 0.000 0.237 502 G HA3 0.100 4.060 3.960 -0.001 0.000 0.237 502 G C 0.735 175.607 174.900 -0.046 0.000 1.312 502 G CA 0.887 45.950 45.100 -0.063 0.000 0.896 502 G HN 1.925 nan 8.290 nan 0.000 0.574 503 M N -0.985 118.626 119.600 0.018 0.000 2.333 503 M HA -0.291 4.189 4.480 -0.001 0.000 0.199 503 M C 1.834 178.182 176.300 0.079 0.000 0.376 503 M CA 1.128 56.477 55.300 0.081 0.000 0.440 503 M CB -2.403 30.289 32.600 0.153 0.000 1.506 503 M HN 1.858 nan 8.290 nan 0.000 0.889 504 V N -2.174 117.755 119.914 0.026 0.000 2.231 504 V HA -0.321 3.799 4.120 -0.001 0.000 0.250 504 V C 2.004 178.098 176.094 -0.001 0.000 1.058 504 V CA 2.390 64.686 62.300 -0.005 0.000 1.022 504 V CB -0.739 31.078 31.823 -0.010 0.000 0.640 504 V HN 0.672 nan 8.190 nan 0.000 0.445 505 E N 0.153 120.372 120.200 0.031 0.000 2.033 505 E HA -0.234 4.116 4.350 -0.001 0.000 0.199 505 E C 2.024 178.653 176.600 0.047 0.000 1.011 505 E CA 1.822 58.242 56.400 0.032 0.000 0.815 505 E CB -0.449 29.285 29.700 0.057 0.000 0.755 505 E HN 0.649 nan 8.360 nan 0.000 0.451 506 F N 2.087 122.005 119.950 -0.052 0.000 2.115 506 F HA -0.245 4.281 4.527 -0.001 0.000 0.300 506 F C 2.245 177.980 175.800 -0.108 0.000 1.092 506 F CA 1.695 59.656 58.000 -0.066 0.000 1.245 506 F CB -0.120 38.855 39.000 -0.041 0.000 0.995 506 F HN -0.158 nan 8.300 nan 0.000 0.481 507 R N -0.115 120.226 120.500 -0.265 0.000 2.066 507 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 507 R C 2.384 178.469 176.300 -0.357 0.000 1.131 507 R CA 1.604 57.469 56.100 -0.392 0.000 0.955 507 R CB -0.312 29.866 30.300 -0.203 0.000 0.851 507 R HN 0.314 nan 8.270 nan 0.000 0.432 508 R N -0.211 120.148 120.500 -0.236 0.000 2.080 508 R HA -0.103 4.236 4.340 -0.001 0.000 0.236 508 R C 2.319 178.474 176.300 -0.241 0.000 1.137 508 R CA 2.040 58.012 56.100 -0.215 0.000 0.943 508 R CB -0.829 29.388 30.300 -0.138 0.000 0.846 508 R HN 0.190 nan 8.270 nan 0.000 0.431 509 T N 2.001 116.427 114.554 -0.213 0.000 2.685 509 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 509 T C 1.922 176.402 174.700 -0.367 0.000 1.034 509 T CA 1.327 63.306 62.100 -0.201 0.000 1.149 509 T CB -0.246 68.547 68.868 -0.124 0.000 0.860 509 T HN 0.145 nan 8.240 nan 0.000 0.449 510 L N 1.124 122.004 121.223 -0.573 0.000 2.046 510 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 510 L C 3.146 179.510 176.870 -0.843 0.000 1.077 510 L CA 1.694 55.988 54.840 -0.910 0.000 0.747 510 L CB -1.254 40.130 42.059 -1.126 0.000 0.896 510 L HN 0.475 nan 8.230 nan 0.000 0.432 511 T N -1.736 112.536 114.554 -0.470 0.000 2.759 511 T HA -0.183 4.167 4.350 -0.001 0.000 0.269 511 T C 1.785 176.449 174.700 -0.060 0.000 1.042 511 T CA 1.194 63.176 62.100 -0.196 0.000 1.140 511 T CB -0.522 68.088 68.868 -0.431 0.000 0.864 511 T HN 0.248 nan 8.240 nan 0.000 0.455 512 L N 0.768 121.902 121.223 -0.149 0.000 2.068 512 L HA 0.044 4.384 4.340 -0.001 0.000 0.204 512 L C 3.166 179.965 176.870 -0.118 0.000 1.076 512 L CA 1.140 55.968 54.840 -0.019 0.000 0.753 512 L CB -0.747 41.334 42.059 0.037 0.000 0.910 512 L HN 0.255 nan 8.230 nan 0.000 0.439 513 S N -0.122 115.345 115.700 -0.390 0.000 2.399 513 S HA -0.098 4.372 4.470 -0.001 0.000 0.231 513 S C 1.814 176.263 174.600 -0.252 0.000 1.022 513 S CA 1.140 59.014 58.200 -0.543 0.000 0.983 513 S CB -0.255 62.618 63.200 -0.545 0.000 0.803 513 S HN 0.191 nan 8.310 nan 0.000 0.480 514 F N 0.743 120.492 119.950 -0.334 0.000 2.098 514 F HA 0.106 4.633 4.527 -0.000 0.000 0.294 514 F C 1.958 177.439 175.800 -0.533 0.000 1.107 514 F CA -0.336 57.232 58.000 -0.720 0.000 1.234 514 F CB -1.367 37.192 39.000 -0.734 0.000 1.002 514 F HN 0.193 nan 8.300 nan 0.000 0.472 515 F N -0.073 119.885 119.950 0.013 0.000 2.126 515 F HA -0.281 4.246 4.527 -0.000 0.000 0.299 515 F C 2.460 178.436 175.800 0.292 0.000 1.096 515 F CA 1.257 59.390 58.000 0.221 0.000 1.255 515 F CB -0.835 38.318 39.000 0.255 0.000 0.997 515 F HN -0.040 nan 8.300 nan 0.000 0.479 516 F N 1.557 121.522 119.950 0.025 0.000 2.091 516 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 516 F C 2.279 178.055 175.800 -0.041 0.000 1.103 516 F CA 2.015 59.983 58.000 -0.052 0.000 1.228 516 F CB -0.800 37.981 39.000 -0.365 0.000 0.984 516 F HN -0.086 nan 8.300 nan 0.000 0.477 517 K N -1.117 119.177 120.400 -0.177 0.000 2.147 517 K HA -0.197 4.122 4.320 -0.001 0.000 0.205 517 K C 2.119 178.780 176.600 0.101 0.000 1.049 517 K CA 1.436 57.649 56.287 -0.124 0.000 0.936 517 K CB -0.629 31.930 32.500 0.098 0.000 0.722 517 K HN 0.293 nan 8.250 nan 0.000 0.446 518 F N 1.050 120.980 119.950 -0.032 0.000 2.084 518 F HA -0.239 4.288 4.527 -0.001 0.000 0.296 518 F C 2.196 178.015 175.800 0.031 0.000 1.111 518 F CA 1.072 59.103 58.000 0.051 0.000 1.224 518 F CB -0.922 38.066 39.000 -0.020 0.000 0.991 518 F HN 0.032 nan 8.300 nan 0.000 0.471 519 Y N 0.826 120.961 120.300 -0.274 0.000 2.081 519 Y HA -0.254 4.295 4.550 -0.000 0.000 0.280 519 Y C 2.197 178.136 175.900 0.065 0.000 1.163 519 Y CA 2.306 60.350 58.100 -0.093 0.000 1.135 519 Y CB -0.781 37.497 38.460 -0.304 0.000 0.970 519 Y HN 0.119 nan 8.280 nan 0.000 0.498 520 L N -0.838 120.275 121.223 -0.183 0.000 2.131 520 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 520 L C 2.318 179.078 176.870 -0.183 0.000 1.092 520 L CA 1.705 56.404 54.840 -0.236 0.000 0.759 520 L CB -0.865 41.028 42.059 -0.276 0.000 0.903 520 L HN 0.283 nan 8.230 nan 0.000 0.435 521 T N -0.485 113.994 114.554 -0.126 0.000 2.732 521 T HA -0.127 4.223 4.350 -0.001 0.000 0.261 521 T C 2.051 176.597 174.700 -0.257 0.000 1.040 521 T CA 1.224 63.261 62.100 -0.105 0.000 1.145 521 T CB -0.147 68.750 68.868 0.050 0.000 0.866 521 T HN 0.029 nan 8.240 nan 0.000 0.427 522 V N 2.036 121.725 119.914 -0.374 0.000 2.278 522 V HA -0.210 3.910 4.120 -0.001 0.000 0.251 522 V C 2.538 178.276 176.094 -0.593 0.000 1.062 522 V CA 1.651 63.551 62.300 -0.666 0.000 1.038 522 V CB -0.870 30.290 31.823 -1.106 0.000 0.646 522 V HN 0.436 nan 8.190 nan 0.000 0.447 523 L N -0.611 120.380 121.223 -0.388 0.000 1.990 523 L HA -0.318 4.021 4.340 -0.001 0.000 0.213 523 L C 2.792 179.499 176.870 -0.271 0.000 1.072 523 L CA 2.085 56.757 54.840 -0.279 0.000 0.755 523 L CB -0.782 41.132 42.059 -0.242 0.000 0.889 523 L HN 0.399 nan 8.230 nan 0.000 0.432 524 Q N -0.108 119.548 119.800 -0.240 0.000 2.152 524 Q HA -0.258 4.082 4.340 -0.001 0.000 0.206 524 Q C 2.226 178.076 176.000 -0.249 0.000 0.985 524 Q CA 1.650 57.338 55.803 -0.192 0.000 0.863 524 Q CB -0.111 28.542 28.738 -0.141 0.000 0.904 524 Q HN 0.524 nan 8.270 nan 0.000 0.422 525 K N 0.252 120.405 120.400 -0.411 0.000 2.103 525 K HA -0.061 4.258 4.320 -0.001 0.000 0.204 525 K C 2.119 178.439 176.600 -0.465 0.000 1.052 525 K CA 0.714 56.663 56.287 -0.563 0.000 0.945 525 K CB 0.008 31.805 32.500 -1.171 0.000 0.722 525 K HN 0.168 nan 8.250 nan 0.000 0.443 526 L N 0.102 121.057 121.223 -0.447 0.000 2.027 526 L HA -0.087 4.253 4.340 -0.001 0.000 0.206 526 L C 2.576 179.348 176.870 -0.163 0.000 1.074 526 L CA 1.343 56.029 54.840 -0.257 0.000 0.745 526 L CB -0.822 41.042 42.059 -0.324 0.000 0.898 526 L HN 0.318 nan 8.230 nan 0.000 0.433 527 G N -0.449 108.252 108.800 -0.165 0.000 2.442 527 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 527 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 527 G C 1.454 176.304 174.900 -0.084 0.000 1.141 527 G CA 0.181 45.216 45.100 -0.109 0.000 0.763 527 G HN 0.225 nan 8.290 nan 0.000 0.554 528 R N 0.388 120.831 120.500 -0.096 0.000 4.779 528 R HA 0.432 4.772 4.340 -0.001 0.000 0.217 528 R C 0.464 176.747 176.300 -0.029 0.000 1.934 528 R CA 0.418 56.482 56.100 -0.059 0.000 1.623 528 R CB -0.332 29.928 30.300 -0.066 0.000 1.364 528 R HN 0.216 nan 8.270 nan 0.000 0.799 529 A N 0.538 123.343 122.820 -0.026 0.000 2.449 529 A HA 0.180 4.500 4.320 -0.001 0.000 0.238 529 A C 0.014 177.589 177.584 -0.015 0.000 1.009 529 A CA 0.026 52.063 52.037 -0.000 0.000 1.136 529 A CB 0.383 19.405 19.000 0.037 0.000 1.152 529 A HN 0.552 nan 8.150 nan 0.000 0.469 530 D N -1.946 118.438 120.400 -0.026 0.000 2.235 530 D HA -0.218 4.422 4.640 -0.001 0.000 0.173 530 D C 0.566 176.844 176.300 -0.036 0.000 1.522 530 D CA 1.612 55.596 54.000 -0.027 0.000 1.559 530 D CB -1.235 39.554 40.800 -0.019 0.000 1.362 530 D HN 0.386 nan 8.370 nan 0.000 0.511 531 L N 1.301 122.496 121.223 -0.046 0.000 2.834 531 L HA 0.067 4.407 4.340 -0.001 0.000 0.252 531 L C 2.031 178.860 176.870 -0.069 0.000 1.152 531 L CA 1.124 55.927 54.840 -0.062 0.000 0.898 531 L CB -0.757 41.249 42.059 -0.089 0.000 1.078 531 L HN 0.194 nan 8.230 nan 0.000 0.439 532 E N 0.510 120.674 120.200 -0.059 0.000 2.086 532 E HA -0.273 4.076 4.350 -0.001 0.000 0.200 532 E C 1.521 178.093 176.600 -0.046 0.000 1.012 532 E CA 2.092 58.458 56.400 -0.057 0.000 0.812 532 E CB -0.074 29.598 29.700 -0.046 0.000 0.743 532 E HN 0.477 nan 8.360 nan 0.000 0.453 533 D N -0.379 119.999 120.400 -0.037 0.000 2.123 533 D HA -0.160 4.480 4.640 -0.001 0.000 0.196 533 D C 2.074 178.359 176.300 -0.026 0.000 0.992 533 D CA 1.569 55.553 54.000 -0.028 0.000 0.833 533 D CB -0.298 40.488 40.800 -0.022 0.000 0.954 533 D HN 0.362 nan 8.370 nan 0.000 0.455 534 M N 0.192 119.772 119.600 -0.033 0.000 2.099 534 M HA -0.058 4.422 4.480 -0.001 0.000 0.262 534 M C 2.219 178.504 176.300 -0.025 0.000 1.067 534 M CA 1.453 56.735 55.300 -0.029 0.000 1.124 534 M CB -0.075 32.500 32.600 -0.043 0.000 1.353 534 M HN -0.008 nan 8.290 nan 0.000 0.410 535 A N 0.016 122.809 122.820 -0.045 0.000 1.970 535 A HA 0.371 4.691 4.320 -0.001 0.000 0.216 535 A C 1.202 178.779 177.584 -0.012 0.000 1.170 535 A CA 0.976 52.995 52.037 -0.030 0.000 0.645 535 A CB -0.695 18.256 19.000 -0.081 0.000 0.816 535 A HN 0.588 nan 8.150 nan 0.000 0.447 536 G N -0.076 108.709 108.800 -0.026 0.000 3.190 536 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.686 536 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.686 536 G C -0.532 174.348 174.900 -0.033 0.000 1.033 536 G CA -0.278 44.810 45.100 -0.020 0.000 0.797 536 G HN 0.589 nan 8.290 nan 0.000 0.567 537 K N 0.297 120.676 120.400 -0.035 0.000 2.542 537 K HA 0.222 4.542 4.320 -0.001 0.000 0.276 537 K C 0.632 177.205 176.600 -0.045 0.000 0.963 537 K CA -0.154 56.109 56.287 -0.040 0.000 0.975 537 K CB 0.484 32.963 32.500 -0.035 0.000 0.901 537 K HN 0.540 nan 8.250 nan 0.000 0.506 538 L N 1.737 122.933 121.223 -0.045 0.000 2.334 538 L HA 0.175 4.514 4.340 -0.001 0.000 0.275 538 L C -0.323 176.511 176.870 -0.060 0.000 1.036 538 L CA -0.322 54.489 54.840 -0.047 0.000 0.807 538 L CB 1.319 43.367 42.059 -0.019 0.000 1.231 538 L HN 0.529 nan 8.230 nan 0.000 0.438 539 D N 5.535 125.852 120.400 -0.139 0.000 2.487 539 D HA 0.042 4.682 4.640 -0.001 0.000 0.243 539 D C -1.722 174.579 176.300 0.001 0.000 1.154 539 D CA -1.236 52.668 54.000 -0.161 0.000 0.876 539 D CB 1.343 41.844 40.800 -0.498 0.000 1.161 539 D HN 0.428 nan 8.370 nan 0.000 0.478 540 P HA -0.083 nan 4.420 nan 0.000 0.236 540 P C 0.639 177.986 177.300 0.077 0.000 1.172 540 P CA 0.770 63.893 63.100 0.038 0.000 0.759 540 P CB -0.070 31.634 31.700 0.006 0.000 0.843 541 T N -6.977 107.674 114.554 0.162 0.000 3.044 541 T HA 0.226 4.576 4.350 -0.001 0.000 0.260 541 T C 0.778 175.719 174.700 0.402 0.000 1.019 541 T CA -0.154 62.060 62.100 0.191 0.000 0.921 541 T CB -0.488 68.467 68.868 0.145 0.000 1.053 541 T HN -0.184 nan 8.240 nan 0.000 0.533 542 F N 1.071 121.093 119.950 0.120 0.000 2.678 542 F HA 0.670 5.196 4.527 -0.001 0.000 0.305 542 F C 2.245 178.150 175.800 0.174 0.000 1.090 542 F CA -1.213 56.950 58.000 0.272 0.000 1.272 542 F CB -0.181 39.000 39.000 0.302 0.000 1.060 542 F HN 0.287 nan 8.300 nan 0.000 0.576 543 A N 0.344 123.323 122.820 0.265 0.000 1.858 543 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 543 A C 2.406 180.064 177.584 0.125 0.000 1.190 543 A CA 2.196 54.321 52.037 0.146 0.000 0.617 543 A CB -1.206 17.848 19.000 0.090 0.000 0.827 543 A HN 0.332 nan 8.150 nan 0.000 0.443 544 S N 0.343 116.118 115.700 0.125 0.000 2.440 544 S HA -0.059 4.410 4.470 -0.001 0.000 0.240 544 S C 1.805 176.495 174.600 0.149 0.000 1.014 544 S CA 1.335 59.611 58.200 0.127 0.000 0.980 544 S CB -0.706 62.572 63.200 0.130 0.000 0.775 544 S HN 1.030 nan 8.310 nan 0.000 0.499 545 A N 1.488 124.413 122.820 0.175 0.000 2.209 545 A HA 0.099 4.419 4.320 -0.001 0.000 0.212 545 A C 2.250 179.875 177.584 0.069 0.000 1.158 545 A CA 1.382 53.502 52.037 0.139 0.000 0.742 545 A CB -0.930 18.133 19.000 0.104 0.000 0.790 545 A HN 0.797 nan 8.150 nan 0.000 0.472 546 T N -3.034 111.563 114.554 0.072 0.000 2.990 546 T HA 0.376 4.726 4.350 -0.001 0.000 0.250 546 T C 0.562 175.305 174.700 0.072 0.000 1.041 546 T CA -0.352 61.785 62.100 0.061 0.000 1.010 546 T CB -0.424 68.459 68.868 0.025 0.000 1.003 546 T HN 0.191 nan 8.240 nan 0.000 0.499 547 L N 2.248 123.518 121.223 0.078 0.000 2.514 547 L HA 0.256 4.596 4.340 -0.001 0.000 0.280 547 L C 0.418 177.340 176.870 0.087 0.000 1.223 547 L CA -0.278 54.604 54.840 0.070 0.000 0.864 547 L CB 0.276 42.376 42.059 0.068 0.000 1.118 547 L HN 0.214 nan 8.230 nan 0.000 0.494 548 L N 2.372 123.645 121.223 0.083 0.000 2.439 548 L HA 0.241 4.581 4.340 -0.001 0.000 0.261 548 L C 0.142 177.112 176.870 0.167 0.000 1.153 548 L CA -0.532 54.387 54.840 0.131 0.000 0.808 548 L CB 0.520 42.651 42.059 0.120 0.000 1.126 548 L HN 0.353 nan 8.230 nan 0.000 0.460 549 F N 2.008 122.045 119.950 0.145 0.000 2.612 549 F HA -0.036 4.491 4.527 -0.000 0.000 0.389 549 F C 0.444 176.348 175.800 0.173 0.000 1.055 549 F CA 0.196 58.295 58.000 0.164 0.000 1.232 549 F CB 0.328 39.474 39.000 0.242 0.000 1.044 549 F HN 0.399 nan 8.300 nan 0.000 0.560 550 Q N 5.568 124.978 119.800 -0.651 0.000 2.293 550 Q HA 0.276 4.616 4.340 -0.001 0.000 0.261 550 Q C 0.374 176.112 176.000 -0.436 0.000 0.960 550 Q CA -0.687 54.903 55.803 -0.355 0.000 0.882 550 Q CB 1.529 30.133 28.738 -0.224 0.000 1.275 550 Q HN 0.565 nan 8.270 nan 0.000 0.445 551 K N 1.852 122.212 120.400 -0.066 0.000 1.993 551 K HA 0.018 4.337 4.320 -0.001 0.000 0.220 551 K C -0.487 176.121 176.600 0.013 0.000 1.028 551 K CA 1.372 57.699 56.287 0.067 0.000 0.994 551 K CB -0.328 32.237 32.500 0.110 0.000 0.788 551 K HN 0.958 nan 8.250 nan 0.000 0.445 552 D N -0.202 120.212 120.400 0.023 0.000 4.549 552 D HA -0.069 4.571 4.640 -0.001 0.000 0.223 552 D C -2.668 173.666 176.300 0.057 0.000 1.439 552 D CA -0.043 53.970 54.000 0.022 0.000 1.047 552 D CB -0.116 40.680 40.800 -0.008 0.000 0.481 552 D HN 0.106 nan 8.370 nan 0.000 0.223 553 P HA 0.157 nan 4.420 nan 0.000 0.264 553 P C -2.322 175.032 177.300 0.090 0.000 1.183 553 P CA -0.716 62.432 63.100 0.080 0.000 0.763 553 P CB 0.053 31.794 31.700 0.069 0.000 0.807 554 P HA 0.294 nan 4.420 nan 0.000 0.271 554 P C -0.762 176.609 177.300 0.118 0.000 1.233 554 P CA 0.010 63.191 63.100 0.134 0.000 0.789 554 P CB 0.412 32.219 31.700 0.179 0.000 0.951 555 A N 1.414 124.305 122.820 0.120 0.000 2.741 555 A HA 0.332 4.652 4.320 -0.001 0.000 0.298 555 A C -0.810 176.843 177.584 0.115 0.000 1.153 555 A CA -0.674 51.423 52.037 0.100 0.000 0.816 555 A CB 0.070 19.112 19.000 0.071 0.000 1.396 555 A HN 0.452 nan 8.150 nan 0.000 0.407 556 N N 0.331 119.108 118.700 0.128 0.000 2.489 556 N HA 0.671 5.411 4.740 -0.001 0.000 0.284 556 N C -0.854 174.711 175.510 0.091 0.000 1.158 556 N CA -0.389 52.743 53.050 0.136 0.000 0.965 556 N CB 2.310 40.887 38.487 0.151 0.000 1.195 556 N HN 0.273 nan 8.380 nan 0.000 0.506 557 V N 1.447 121.411 119.914 0.083 0.000 2.624 557 V HA 0.160 4.280 4.120 -0.001 0.000 0.294 557 V C -1.063 175.059 176.094 0.048 0.000 1.077 557 V CA -0.751 61.579 62.300 0.050 0.000 0.905 557 V CB 1.527 33.371 31.823 0.035 0.000 1.025 557 V HN 0.532 nan 8.190 nan 0.000 0.440 558 Q N 4.322 124.152 119.800 0.050 0.000 2.245 558 Q HA 0.845 5.185 4.340 -0.001 0.000 0.256 558 Q C -0.992 175.045 176.000 0.061 0.000 0.942 558 Q CA -0.209 55.641 55.803 0.078 0.000 0.896 558 Q CB 2.457 31.273 28.738 0.130 0.000 1.272 558 Q HN 0.679 nan 8.270 nan 0.000 0.442 559 L N 3.737 125.005 121.223 0.074 0.000 2.464 559 L HA 0.703 5.043 4.340 -0.001 0.000 0.266 559 L C -1.170 175.743 176.870 0.071 0.000 0.965 559 L CA -0.896 53.923 54.840 -0.034 0.000 0.833 559 L CB 0.976 43.004 42.059 -0.051 0.000 1.296 559 L HN 0.691 nan 8.230 nan 0.000 0.405 560 F N -0.196 119.745 119.950 -0.015 0.000 2.715 560 F HA 0.592 5.118 4.527 -0.000 0.000 0.318 560 F C -0.605 175.189 175.800 -0.011 0.000 1.141 560 F CA -1.055 56.937 58.000 -0.013 0.000 0.950 560 F CB 1.428 40.417 39.000 -0.018 0.000 1.374 560 F HN 0.354 nan 8.300 nan 0.000 0.477 561 Q N 0.782 120.710 119.800 0.213 0.000 2.312 561 Q HA 0.312 4.652 4.340 -0.001 0.000 0.236 561 Q C -0.983 175.131 176.000 0.191 0.000 0.965 561 Q CA -0.582 55.283 55.803 0.103 0.000 0.894 561 Q CB 1.360 30.153 28.738 0.093 0.000 1.225 561 Q HN 0.671 nan 8.270 nan 0.000 0.478 562 E N 0.800 121.042 120.200 0.071 0.000 2.266 562 E HA 0.254 4.603 4.350 -0.001 0.000 0.277 562 E C -1.117 175.530 176.600 0.077 0.000 1.018 562 E CA -0.680 55.776 56.400 0.093 0.000 0.840 562 E CB 1.143 30.856 29.700 0.022 0.000 1.082 562 E HN 0.395 nan 8.360 nan 0.000 0.395 563 V N 2.198 122.157 119.914 0.076 0.000 2.963 563 V HA 0.357 4.477 4.120 -0.001 0.000 0.306 563 V C -2.043 174.064 176.094 0.021 0.000 1.077 563 V CA -1.552 60.770 62.300 0.037 0.000 1.124 563 V CB -0.043 31.792 31.823 0.020 0.000 0.987 563 V HN 0.718 nan 8.190 nan 0.000 0.487 564 P HA 0.037 nan 4.420 nan 0.000 0.268 564 P C 0.239 177.542 177.300 0.006 0.000 1.189 564 P CA 0.148 63.252 63.100 0.006 0.000 0.771 564 P CB 0.271 31.971 31.700 -0.000 0.000 0.822 565 K N 1.175 121.578 120.400 0.005 0.000 2.211 565 K HA -0.144 4.176 4.320 -0.001 0.000 0.204 565 K C 1.194 177.797 176.600 0.004 0.000 1.047 565 K CA 1.704 57.994 56.287 0.005 0.000 0.935 565 K CB -0.473 32.029 32.500 0.004 0.000 0.728 565 K HN 0.448 nan 8.250 nan 0.000 0.452 566 D N 0.651 121.053 120.400 0.003 0.000 2.113 566 D HA -0.072 4.568 4.640 -0.001 0.000 0.206 566 D C 0.027 176.326 176.300 -0.001 0.000 0.979 566 D CA 0.406 54.408 54.000 0.002 0.000 0.862 566 D CB -0.415 40.387 40.800 0.003 0.000 1.013 566 D HN 0.098 nan 8.370 nan 0.000 0.455 567 Q N 1.599 121.395 119.800 -0.008 0.000 3.744 567 Q HA -0.105 4.235 4.340 -0.001 0.000 0.369 567 Q C 0.147 176.139 176.000 -0.013 0.000 1.252 567 Q CA 0.155 55.947 55.803 -0.017 0.000 1.059 567 Q CB -0.256 28.467 28.738 -0.025 0.000 1.213 567 Q HN 0.299 nan 8.270 nan 0.000 0.540 568 S N 2.257 117.948 115.700 -0.014 0.000 2.559 568 S HA -0.033 4.437 4.470 -0.001 0.000 0.282 568 S C 0.947 175.539 174.600 -0.013 0.000 1.336 568 S CA -0.528 57.666 58.200 -0.010 0.000 1.037 568 S CB 0.911 64.105 63.200 -0.009 0.000 0.853 568 S HN 0.547 nan 8.310 nan 0.000 0.523 569 E N 1.397 121.592 120.200 -0.007 0.000 2.333 569 E HA -0.116 4.234 4.350 -0.001 0.000 0.198 569 E C 1.533 178.124 176.600 -0.014 0.000 1.007 569 E CA 1.037 57.433 56.400 -0.006 0.000 0.845 569 E CB -0.220 29.480 29.700 0.000 0.000 0.766 569 E HN 0.840 nan 8.360 nan 0.000 0.507 570 E N 0.528 120.715 120.200 -0.022 0.000 2.371 570 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 570 E C 0.324 176.898 176.600 -0.045 0.000 1.012 570 E CA 0.029 56.409 56.400 -0.033 0.000 0.860 570 E CB 0.172 29.849 29.700 -0.040 0.000 0.811 570 E HN 0.017 nan 8.360 nan 0.000 0.502 571 D N 1.003 121.375 120.400 -0.047 0.000 2.435 571 D HA 0.008 4.647 4.640 -0.001 0.000 0.230 571 D C 0.665 176.925 176.300 -0.068 0.000 1.215 571 D CA -0.038 53.920 54.000 -0.071 0.000 0.947 571 D CB 0.552 41.304 40.800 -0.080 0.000 1.048 571 D HN -0.083 nan 8.370 nan 0.000 0.512 572 M N 2.281 121.843 119.600 -0.063 0.000 2.659 572 M HA 0.037 4.517 4.480 -0.001 0.000 0.243 572 M C 0.308 176.569 176.300 -0.066 0.000 1.111 572 M CA 0.097 55.367 55.300 -0.050 0.000 1.070 572 M CB -0.481 32.099 32.600 -0.033 0.000 1.525 572 M HN 0.053 nan 8.290 nan 0.000 0.517 573 V N 1.478 121.327 119.914 -0.108 0.000 2.446 573 V HA 0.364 4.484 4.120 -0.001 0.000 0.276 573 V C 1.382 177.415 176.094 -0.102 0.000 1.030 573 V CA 0.780 63.002 62.300 -0.130 0.000 1.033 573 V CB -0.132 31.524 31.823 -0.279 0.000 0.993 573 V HN 0.831 nan 8.190 nan 0.000 0.477 574 G N 4.809 113.567 108.800 -0.070 0.000 2.159 574 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.227 574 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.227 574 G C 0.152 175.022 174.900 -0.050 0.000 0.986 574 G CA -0.213 44.857 45.100 -0.051 0.000 0.651 574 G HN 0.602 nan 8.290 nan 0.000 0.523 575 R N 0.502 120.966 120.500 -0.060 0.000 2.732 575 R HA 0.507 4.847 4.340 -0.001 0.000 0.278 575 R C -2.342 173.900 176.300 -0.097 0.000 0.976 575 R CA -1.954 54.114 56.100 -0.054 0.000 0.963 575 R CB 1.854 32.144 30.300 -0.017 0.000 1.150 575 R HN -0.005 nan 8.270 nan 0.000 0.478 576 P HA 0.002 nan 4.420 nan 0.000 0.226 576 P C -0.740 176.596 177.300 0.061 0.000 1.783 576 P CA -0.121 62.905 63.100 -0.124 0.000 0.980 576 P CB -0.047 31.548 31.700 -0.174 0.000 1.967 577 L N 3.411 124.660 121.223 0.043 0.000 2.361 577 L HA 0.384 4.723 4.340 -0.001 0.000 0.278 577 L C -2.333 174.622 176.870 0.143 0.000 1.113 577 L CA -2.237 52.650 54.840 0.079 0.000 0.849 577 L CB -0.109 41.967 42.059 0.028 0.000 1.155 577 L HN -0.021 nan 8.230 nan 0.000 0.452 578 P HA -0.057 nan 4.420 nan 0.000 0.267 578 P C -0.728 176.647 177.300 0.126 0.000 1.200 578 P CA 0.040 63.218 63.100 0.130 0.000 0.772 578 P CB 0.180 31.858 31.700 -0.037 0.000 0.855 579 H N 3.609 122.719 119.070 0.066 0.000 3.192 579 H HA -0.052 4.503 4.556 -0.001 0.000 0.295 579 H C 1.141 176.482 175.328 0.022 0.000 0.943 579 H CA 0.431 56.502 56.048 0.040 0.000 1.416 579 H CB 0.373 30.157 29.762 0.036 0.000 1.434 579 H HN 0.391 nan 8.280 nan 0.000 0.565 580 L N 4.351 125.401 121.223 -0.288 0.000 2.137 580 L HA -0.259 4.080 4.340 -0.001 0.000 0.213 580 L C 2.326 179.136 176.870 -0.100 0.000 1.085 580 L CA 1.665 56.395 54.840 -0.184 0.000 0.760 580 L CB -0.437 41.497 42.059 -0.209 0.000 0.893 580 L HN 0.644 nan 8.230 nan 0.000 0.434 581 A N -0.964 121.805 122.820 -0.086 0.000 2.345 581 A HA 0.407 4.727 4.320 -0.001 0.000 0.225 581 A C 2.283 179.997 177.584 0.218 0.000 1.243 581 A CA 0.659 52.771 52.037 0.124 0.000 0.875 581 A CB -0.220 18.894 19.000 0.190 0.000 0.929 581 A HN 0.305 nan 8.150 nan 0.000 0.502 582 A N 1.650 124.614 122.820 0.240 0.000 1.859 582 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 582 A C 1.966 179.582 177.584 0.054 0.000 1.198 582 A CA 1.859 53.972 52.037 0.125 0.000 0.629 582 A CB -0.708 18.331 19.000 0.065 0.000 0.830 582 A HN 0.608 nan 8.150 nan 0.000 0.446 583 N N -0.165 118.556 118.700 0.034 0.000 2.104 583 N HA -0.185 4.555 4.740 -0.001 0.000 0.190 583 N C 1.859 177.385 175.510 0.028 0.000 1.024 583 N CA 2.005 55.066 53.050 0.018 0.000 0.853 583 N CB -0.457 38.038 38.487 0.013 0.000 1.008 583 N HN 0.620 nan 8.380 nan 0.000 0.424 584 M N 0.812 120.435 119.600 0.038 0.000 2.175 584 M HA -0.131 4.349 4.480 -0.001 0.000 0.264 584 M C 2.094 178.423 176.300 0.048 0.000 1.063 584 M CA 1.421 56.742 55.300 0.034 0.000 1.119 584 M CB -0.394 32.223 32.600 0.029 0.000 1.377 584 M HN 0.062 nan 8.290 nan 0.000 0.415 585 Q N 0.535 120.379 119.800 0.073 0.000 2.079 585 Q HA -0.047 4.293 4.340 -0.001 0.000 0.200 585 Q C 2.278 178.315 176.000 0.060 0.000 0.974 585 Q CA 1.639 57.503 55.803 0.101 0.000 0.840 585 Q CB -0.231 28.580 28.738 0.120 0.000 0.898 585 Q HN 0.592 nan 8.270 nan 0.000 0.430 586 A N 0.417 123.259 122.820 0.037 0.000 2.067 586 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 586 A C 2.016 179.611 177.584 0.017 0.000 1.158 586 A CA 1.588 53.638 52.037 0.022 0.000 0.661 586 A CB -0.251 18.756 19.000 0.011 0.000 0.801 586 A HN 0.410 nan 8.150 nan 0.000 0.452 587 S N -2.923 112.787 115.700 0.018 0.000 2.524 587 S HA 0.417 4.887 4.470 -0.001 0.000 0.215 587 S C 1.328 175.927 174.600 -0.002 0.000 0.986 587 S CA 0.979 59.182 58.200 0.005 0.000 0.911 587 S CB 0.076 63.281 63.200 0.009 0.000 0.805 587 S HN 1.824 nan 8.310 nan 0.000 0.501 588 G N 1.425 110.233 108.800 0.013 0.000 2.143 588 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.249 588 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.249 588 G C 0.409 175.322 174.900 0.022 0.000 0.981 588 G CA 0.418 45.527 45.100 0.015 0.000 0.665 588 G HN 0.579 nan 8.290 nan 0.000 0.528 589 E N -0.154 120.058 120.200 0.019 0.000 2.364 589 E HA 0.429 4.779 4.350 -0.001 0.000 0.196 589 E C 1.670 178.268 176.600 -0.004 0.000 0.990 589 E CA 0.295 56.698 56.400 0.005 0.000 0.886 589 E CB 0.368 30.068 29.700 -0.000 0.000 0.866 589 E HN 0.767 nan 8.360 nan 0.000 0.493 590 A N 1.756 124.578 122.820 0.003 0.000 2.511 590 A HA 0.191 4.511 4.320 -0.001 0.000 0.242 590 A C 0.202 177.700 177.584 -0.144 0.000 1.069 590 A CA -0.023 51.971 52.037 -0.072 0.000 0.763 590 A CB 0.378 19.344 19.000 -0.057 0.000 1.001 590 A HN 0.003 nan 8.150 nan 0.000 0.498 591 V N 3.158 122.934 119.914 -0.229 0.000 2.472 591 V HA 0.409 4.529 4.120 -0.001 0.000 0.290 591 V C -0.761 175.111 176.094 -0.370 0.000 1.037 591 V CA -0.146 62.042 62.300 -0.187 0.000 0.908 591 V CB 0.808 32.574 31.823 -0.095 0.000 0.985 591 V HN 0.752 nan 8.190 nan 0.000 0.454 592 Y N 1.591 121.936 120.300 0.074 0.000 2.468 592 Y HA 0.344 4.894 4.550 -0.001 0.000 0.342 592 Y C 1.338 177.275 175.900 0.063 0.000 1.021 592 Y CA -0.322 57.839 58.100 0.103 0.000 1.079 592 Y CB 1.307 39.906 38.460 0.230 0.000 1.226 592 Y HN 0.736 nan 8.280 nan 0.000 0.460 593 C N 1.391 120.798 119.300 0.178 0.000 2.288 593 C HA -0.369 4.091 4.460 -0.001 0.000 0.260 593 C C 2.487 177.523 174.990 0.075 0.000 1.094 593 C CA 2.752 61.834 59.018 0.107 0.000 1.822 593 C CB -0.797 27.000 27.740 0.095 0.000 2.004 593 C HN 1.134 nan 8.230 nan 0.000 0.420 594 D N -0.592 119.874 120.400 0.110 0.000 2.378 594 D HA -0.067 4.573 4.640 -0.001 0.000 0.222 594 D C 1.597 177.932 176.300 0.059 0.000 0.980 594 D CA 1.077 55.122 54.000 0.075 0.000 0.907 594 D CB -0.254 40.603 40.800 0.094 0.000 0.899 594 D HN 0.620 nan 8.370 nan 0.000 0.527 595 D N -0.233 120.221 120.400 0.090 0.000 2.234 595 D HA -0.018 4.622 4.640 -0.001 0.000 0.205 595 D C 0.703 176.983 176.300 -0.034 0.000 0.962 595 D CA 0.172 54.202 54.000 0.050 0.000 0.855 595 D CB 0.103 40.962 40.800 0.099 0.000 0.951 595 D HN 0.345 nan 8.370 nan 0.000 0.500 596 I N 4.061 124.586 120.570 -0.076 0.000 2.826 596 I HA -0.052 4.118 4.170 -0.001 0.000 0.295 596 I C -1.759 174.245 176.117 -0.190 0.000 1.213 596 I CA -1.020 60.173 61.300 -0.177 0.000 1.436 596 I CB 0.007 37.834 38.000 -0.288 0.000 1.348 596 I HN -0.149 nan 8.210 nan 0.000 0.570 597 P HA 0.117 nan 4.420 nan 0.000 0.270 597 P C -0.741 176.395 177.300 -0.273 0.000 1.223 597 P CA -0.261 62.716 63.100 -0.205 0.000 0.785 597 P CB 0.543 32.129 31.700 -0.189 0.000 0.923 598 R N 0.983 121.370 120.500 -0.189 0.000 2.441 598 R HA 0.289 4.628 4.340 -0.001 0.000 0.284 598 R C 0.068 176.278 176.300 -0.150 0.000 1.070 598 R CA -0.370 55.639 56.100 -0.152 0.000 1.047 598 R CB 0.155 30.419 30.300 -0.060 0.000 1.016 598 R HN 0.462 nan 8.270 nan 0.000 0.477 599 Y N 1.530 121.800 120.300 -0.050 0.000 2.379 599 Y HA -0.110 4.439 4.550 -0.000 0.000 0.337 599 Y C 1.891 177.772 175.900 -0.033 0.000 1.238 599 Y CA 0.161 58.237 58.100 -0.040 0.000 1.405 599 Y CB 0.738 39.179 38.460 -0.031 0.000 1.310 599 Y HN 0.683 nan 8.280 nan 0.000 0.569 600 E N 0.172 120.460 120.200 0.145 0.000 2.333 600 E HA -0.283 4.066 4.350 -0.001 0.000 0.198 600 E C 0.907 177.545 176.600 0.064 0.000 1.007 600 E CA 1.369 57.808 56.400 0.066 0.000 0.845 600 E CB -0.073 29.654 29.700 0.045 0.000 0.766 600 E HN 0.670 nan 8.360 nan 0.000 0.507 601 N N 1.310 120.069 118.700 0.098 0.000 2.083 601 N HA -0.096 4.643 4.740 -0.001 0.000 0.190 601 N C -0.159 175.386 175.510 0.058 0.000 1.047 601 N CA 0.589 53.670 53.050 0.052 0.000 0.845 601 N CB -0.174 38.314 38.487 0.003 0.000 1.025 601 N HN 0.160 nan 8.380 nan 0.000 0.428 602 E N 0.349 120.615 120.200 0.110 0.000 3.513 602 E HA -0.193 4.156 4.350 -0.001 0.000 0.295 602 E C -0.385 176.246 176.600 0.052 0.000 0.838 602 E CA 0.633 57.089 56.400 0.094 0.000 0.995 602 E CB 0.217 29.985 29.700 0.113 0.000 0.968 602 E HN 0.334 nan 8.360 nan 0.000 0.532 603 L N 1.752 123.002 121.223 0.045 0.000 2.322 603 L HA 0.348 4.687 4.340 -0.001 0.000 0.269 603 L C 0.166 177.062 176.870 0.044 0.000 1.012 603 L CA -0.768 54.093 54.840 0.035 0.000 0.815 603 L CB 1.975 44.045 42.059 0.019 0.000 1.295 603 L HN 0.364 nan 8.230 nan 0.000 0.438 604 S N 1.785 117.514 115.700 0.047 0.000 2.525 604 S HA 0.651 5.121 4.470 -0.001 0.000 0.290 604 S C -0.699 173.945 174.600 0.074 0.000 1.152 604 S CA -0.515 57.718 58.200 0.056 0.000 1.072 604 S CB 1.758 64.988 63.200 0.051 0.000 1.027 604 S HN 0.408 nan 8.310 nan 0.000 0.500 605 L N 2.892 124.163 121.223 0.080 0.000 2.354 605 L HA 0.741 5.080 4.340 -0.001 0.000 0.269 605 L C -0.654 176.283 176.870 0.111 0.000 1.005 605 L CA -0.690 54.211 54.840 0.103 0.000 0.819 605 L CB 1.500 43.619 42.059 0.100 0.000 1.311 605 L HN 0.641 nan 8.230 nan 0.000 0.423 606 R N 4.640 125.226 120.500 0.143 0.000 2.515 606 R HA 0.485 4.825 4.340 -0.001 0.000 0.291 606 R C -1.483 174.924 176.300 0.178 0.000 1.046 606 R CA -0.672 55.510 56.100 0.137 0.000 0.914 606 R CB 1.359 31.735 30.300 0.126 0.000 1.191 606 R HN 0.711 nan 8.270 nan 0.000 0.435 607 L N 3.384 124.699 121.223 0.153 0.000 2.483 607 L HA 0.214 4.553 4.340 -0.001 0.000 0.275 607 L C -0.200 176.790 176.870 0.199 0.000 1.220 607 L CA -0.258 54.689 54.840 0.179 0.000 0.833 607 L CB 0.989 43.119 42.059 0.117 0.000 1.102 607 L HN 0.313 nan 8.230 nan 0.000 0.490 608 V N 1.298 121.368 119.914 0.260 0.000 2.349 608 V HA 0.266 4.386 4.120 -0.001 0.000 0.284 608 V C 0.190 176.408 176.094 0.207 0.000 1.014 608 V CA -0.559 61.886 62.300 0.242 0.000 0.826 608 V CB 1.547 33.574 31.823 0.340 0.000 1.009 608 V HN 0.920 nan 8.190 nan 0.000 0.431 609 T N 1.338 115.988 114.554 0.160 0.000 2.934 609 T HA 0.597 4.947 4.350 -0.001 0.000 0.283 609 T C 0.366 175.175 174.700 0.183 0.000 1.005 609 T CA -0.476 61.718 62.100 0.156 0.000 1.041 609 T CB 1.674 70.624 68.868 0.136 0.000 1.042 609 T HN 0.705 nan 8.240 nan 0.000 0.505 610 S N 0.538 116.369 115.700 0.218 0.000 2.585 610 S HA 0.302 4.772 4.470 -0.001 0.000 0.273 610 S C 1.005 175.700 174.600 0.158 0.000 1.339 610 S CA -0.099 58.273 58.200 0.287 0.000 1.028 610 S CB 0.419 63.834 63.200 0.359 0.000 0.906 610 S HN 1.059 nan 8.310 nan 0.000 0.528 611 T N -0.493 114.102 114.554 0.067 0.000 3.134 611 T HA 0.386 4.736 4.350 -0.001 0.000 0.260 611 T C 0.099 174.683 174.700 -0.195 0.000 1.027 611 T CA -0.681 61.386 62.100 -0.055 0.000 0.913 611 T CB -0.154 68.688 68.868 -0.044 0.000 1.046 611 T HN 0.496 nan 8.240 nan 0.000 0.553 612 R N 0.385 120.738 120.500 -0.245 0.000 2.686 612 R HA 0.769 5.108 4.340 -0.001 0.000 0.286 612 R C 0.815 177.093 176.300 -0.035 0.000 0.969 612 R CA -0.478 55.483 56.100 -0.232 0.000 0.898 612 R CB 1.294 31.317 30.300 -0.461 0.000 1.183 612 R HN 0.131 nan 8.270 nan 0.000 0.456 613 A N 0.934 123.750 122.820 -0.006 0.000 2.014 613 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 613 A C 0.485 178.138 177.584 0.116 0.000 1.163 613 A CA 1.323 53.384 52.037 0.040 0.000 0.652 613 A CB -0.165 18.849 19.000 0.022 0.000 0.808 613 A HN 0.788 nan 8.150 nan 0.000 0.449 614 H N -2.043 117.029 119.070 0.003 0.000 2.965 614 H HA 0.478 5.034 4.556 -0.001 0.000 0.280 614 H C -0.552 174.807 175.328 0.053 0.000 1.463 614 H CA -0.206 55.861 56.048 0.030 0.000 1.531 614 H CB -0.246 29.517 29.762 0.003 0.000 2.058 614 H HN 0.408 nan 8.280 nan 0.000 0.677 615 A N 2.685 125.684 122.820 0.298 0.000 2.468 615 A HA 0.621 4.941 4.320 -0.001 0.000 0.277 615 A C -0.946 176.815 177.584 0.294 0.000 1.203 615 A CA -0.894 51.291 52.037 0.248 0.000 0.932 615 A CB 1.591 20.774 19.000 0.304 0.000 1.438 615 A HN 0.453 nan 8.150 nan 0.000 0.468 616 K N 0.635 121.177 120.400 0.238 0.000 2.323 616 K HA 0.577 4.897 4.320 -0.001 0.000 0.259 616 K C -1.419 175.255 176.600 0.123 0.000 0.947 616 K CA -0.408 55.976 56.287 0.163 0.000 0.819 616 K CB 0.856 33.415 32.500 0.099 0.000 1.109 616 K HN 0.593 nan 8.250 nan 0.000 0.429 617 I N 4.637 125.237 120.570 0.050 0.000 2.436 617 I HA 0.010 4.180 4.170 -0.001 0.000 0.289 617 I C 1.383 177.466 176.117 -0.056 0.000 1.083 617 I CA -0.113 61.129 61.300 -0.097 0.000 1.372 617 I CB 1.228 39.171 38.000 -0.095 0.000 1.408 617 I HN 0.817 nan 8.210 nan 0.000 0.516 618 T N 0.307 114.813 114.554 -0.079 0.000 3.015 618 T HA 0.121 4.471 4.350 -0.001 0.000 0.250 618 T C 0.532 175.205 174.700 -0.044 0.000 1.057 618 T CA 0.189 62.269 62.100 -0.034 0.000 1.066 618 T CB 0.273 69.137 68.868 -0.007 0.000 0.959 618 T HN 0.622 nan 8.240 nan 0.000 0.488 619 S N 0.194 115.846 115.700 -0.080 0.000 2.560 619 S HA 0.584 5.053 4.470 -0.001 0.000 0.283 619 S C -1.573 172.976 174.600 -0.086 0.000 1.141 619 S CA -1.136 57.027 58.200 -0.061 0.000 0.902 619 S CB 0.762 63.938 63.200 -0.040 0.000 1.104 619 S HN 0.344 nan 8.310 nan 0.000 0.454 620 I N 2.325 122.863 120.570 -0.053 0.000 2.441 620 I HA 0.532 4.702 4.170 -0.001 0.000 0.295 620 I C -0.947 175.137 176.117 -0.055 0.000 0.994 620 I CA -0.479 60.789 61.300 -0.052 0.000 1.144 620 I CB 1.938 39.954 38.000 0.027 0.000 1.314 620 I HN 0.795 nan 8.210 nan 0.000 0.445 621 D N 3.062 123.403 120.400 -0.099 0.000 2.473 621 D HA 0.270 4.910 4.640 -0.001 0.000 0.253 621 D C 0.203 176.404 176.300 -0.165 0.000 1.233 621 D CA -0.299 53.640 54.000 -0.101 0.000 0.908 621 D CB 1.517 42.269 40.800 -0.081 0.000 1.170 621 D HN 0.419 nan 8.370 nan 0.000 0.558 622 T N 0.997 115.455 114.554 -0.161 0.000 3.129 622 T HA -0.016 4.334 4.350 -0.001 0.000 0.251 622 T C 1.867 176.428 174.700 -0.232 0.000 1.117 622 T CA 0.291 62.244 62.100 -0.245 0.000 1.034 622 T CB 0.058 68.829 68.868 -0.163 0.000 0.968 622 T HN 0.346 nan 8.240 nan 0.000 0.526 623 S N 2.061 117.672 115.700 -0.149 0.000 2.425 623 S HA -0.281 4.188 4.470 -0.001 0.000 0.256 623 S C 1.993 176.496 174.600 -0.161 0.000 1.101 623 S CA 1.697 59.823 58.200 -0.124 0.000 1.188 623 S CB -0.323 62.824 63.200 -0.088 0.000 1.085 623 S HN 0.444 nan 8.310 nan 0.000 0.439 624 E N 0.846 120.940 120.200 -0.177 0.000 2.072 624 E HA 0.160 4.510 4.350 -0.001 0.000 0.190 624 E C 2.269 178.710 176.600 -0.265 0.000 0.982 624 E CA 0.960 57.252 56.400 -0.179 0.000 0.803 624 E CB -0.648 28.967 29.700 -0.142 0.000 0.755 624 E HN 0.447 nan 8.360 nan 0.000 0.453 625 A N 1.047 123.637 122.820 -0.383 0.000 1.917 625 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 625 A C 1.943 179.014 177.584 -0.855 0.000 1.182 625 A CA 2.034 53.714 52.037 -0.596 0.000 0.633 625 A CB -0.488 18.059 19.000 -0.754 0.000 0.819 625 A HN 0.175 nan 8.150 nan 0.000 0.448 626 K N -0.251 119.689 120.400 -0.767 0.000 2.209 626 K HA -0.115 4.204 4.320 -0.001 0.000 0.204 626 K C 1.699 178.212 176.600 -0.145 0.000 1.048 626 K CA 1.442 57.461 56.287 -0.448 0.000 0.940 626 K CB -0.120 32.285 32.500 -0.159 0.000 0.729 626 K HN 0.485 nan 8.250 nan 0.000 0.451 627 K N 0.719 121.022 120.400 -0.161 0.000 2.432 627 K HA 0.019 4.339 4.320 -0.001 0.000 0.196 627 K C 0.142 176.693 176.600 -0.082 0.000 1.038 627 K CA 0.254 56.489 56.287 -0.087 0.000 0.986 627 K CB 0.243 32.691 32.500 -0.086 0.000 0.782 627 K HN -0.087 nan 8.250 nan 0.000 0.485 628 V N 3.829 123.680 119.914 -0.106 0.000 2.479 628 V HA 0.061 4.181 4.120 -0.001 0.000 0.281 628 V C -2.229 173.809 176.094 -0.093 0.000 1.031 628 V CA -1.682 60.556 62.300 -0.105 0.000 1.038 628 V CB 0.410 32.184 31.823 -0.082 0.000 0.981 628 V HN 0.018 nan 8.190 nan 0.000 0.478 629 P HA 0.186 nan 4.420 nan 0.000 0.261 629 P C 0.945 178.119 177.300 -0.211 0.000 1.183 629 P CA 1.465 64.429 63.100 -0.228 0.000 0.761 629 P CB 0.508 32.017 31.700 -0.319 0.000 0.785 630 G N 2.652 111.469 108.800 0.027 0.000 2.175 630 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.244 630 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.244 630 G C 0.045 175.031 174.900 0.143 0.000 0.982 630 G CA -0.576 44.605 45.100 0.136 0.000 0.641 630 G HN 0.533 nan 8.290 nan 0.000 0.527 631 F N 1.804 121.761 119.950 0.011 0.000 2.571 631 F HA 0.483 5.010 4.527 -0.001 0.000 0.384 631 F C 1.246 177.066 175.800 0.034 0.000 1.058 631 F CA 0.527 58.543 58.000 0.027 0.000 1.200 631 F CB 1.019 40.023 39.000 0.005 0.000 1.077 631 F HN -0.074 nan 8.300 nan 0.000 0.558 632 V N 5.026 124.491 119.914 -0.750 0.000 2.502 632 V HA 0.058 4.177 4.120 -0.001 0.000 0.234 632 V C 0.668 176.152 176.094 -1.017 0.000 1.072 632 V CA 1.268 63.196 62.300 -0.621 0.000 1.094 632 V CB 0.230 31.876 31.823 -0.296 0.000 0.761 632 V HN 1.000 nan 8.190 nan 0.000 0.489 633 C N -2.112 116.582 119.300 -1.009 0.000 3.295 633 C HA 0.717 5.177 4.460 -0.001 0.000 0.341 633 C C -1.448 173.564 174.990 0.037 0.000 1.418 633 C CA -1.199 57.473 59.018 -0.577 0.000 1.240 633 C CB 1.159 28.764 27.740 -0.225 0.000 1.562 633 C HN 0.317 nan 8.230 nan 0.000 0.457 634 F N 2.100 122.139 119.950 0.149 0.000 2.496 634 F HA 0.748 5.275 4.527 -0.001 0.000 0.341 634 F C -0.675 175.113 175.800 -0.019 0.000 1.134 634 F CA -1.403 56.691 58.000 0.157 0.000 0.968 634 F CB 0.797 39.932 39.000 0.225 0.000 1.205 634 F HN 0.692 nan 8.300 nan 0.000 0.436 635 L N 5.986 126.790 121.223 -0.698 0.000 2.349 635 L HA 0.557 4.897 4.340 -0.001 0.000 0.275 635 L C 0.596 176.656 176.870 -1.350 0.000 1.115 635 L CA -0.258 54.084 54.840 -0.829 0.000 0.820 635 L CB 1.107 42.784 42.059 -0.636 0.000 1.135 635 L HN 0.766 nan 8.230 nan 0.000 0.445 636 T N -1.111 112.827 114.554 -1.027 0.000 2.645 636 T HA 0.552 4.902 4.350 -0.001 0.000 0.273 636 T C 0.883 175.196 174.700 -0.645 0.000 0.960 636 T CA -0.061 61.535 62.100 -0.841 0.000 1.051 636 T CB 1.349 69.982 68.868 -0.392 0.000 1.366 636 T HN 0.436 nan 8.240 nan 0.000 0.536 637 A N -0.060 122.611 122.820 -0.249 0.000 2.067 637 A HA 0.035 4.355 4.320 -0.001 0.000 0.219 637 A C 2.047 179.578 177.584 -0.087 0.000 1.158 637 A CA 1.639 53.636 52.037 -0.067 0.000 0.661 637 A CB -1.168 17.847 19.000 0.024 0.000 0.801 637 A HN 0.904 nan 8.150 nan 0.000 0.452 638 E N 0.272 120.401 120.200 -0.120 0.000 2.077 638 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 638 E C 0.956 177.500 176.600 -0.094 0.000 0.989 638 E CA 1.486 57.835 56.400 -0.085 0.000 0.800 638 E CB -0.292 29.360 29.700 -0.079 0.000 0.746 638 E HN 0.700 nan 8.360 nan 0.000 0.452 639 D N 0.210 120.514 120.400 -0.160 0.000 2.378 639 D HA -0.034 4.605 4.640 -0.001 0.000 0.227 639 D C -0.289 175.962 176.300 -0.082 0.000 1.012 639 D CA 0.246 54.164 54.000 -0.136 0.000 0.905 639 D CB 0.242 40.913 40.800 -0.214 0.000 0.895 639 D HN -0.067 nan 8.370 nan 0.000 0.532 640 V N 1.701 121.580 119.914 -0.058 0.000 2.508 640 V HA 0.038 4.158 4.120 -0.001 0.000 0.281 640 V C -1.097 174.986 176.094 -0.018 0.000 1.041 640 V CA -1.027 61.271 62.300 -0.003 0.000 1.016 640 V CB 1.436 33.286 31.823 0.046 0.000 0.984 640 V HN 0.002 nan 8.190 nan 0.000 0.478 641 P HA -0.093 nan 4.420 nan 0.000 0.213 641 P C 1.103 178.378 177.300 -0.042 0.000 1.170 641 P CA 1.374 64.443 63.100 -0.052 0.000 0.898 641 P CB 0.348 31.955 31.700 -0.154 0.000 0.787 642 N N -1.983 116.686 118.700 -0.051 0.000 2.514 642 N HA 0.051 4.791 4.740 -0.001 0.000 0.232 642 N C 0.037 175.531 175.510 -0.026 0.000 1.107 642 N CA -0.043 52.984 53.050 -0.038 0.000 1.174 642 N CB 0.085 38.544 38.487 -0.046 0.000 1.545 642 N HN -0.105 nan 8.380 nan 0.000 0.591 643 S N -0.109 115.573 115.700 -0.030 0.000 2.549 643 S HA 0.271 4.741 4.470 -0.001 0.000 0.297 643 S C -0.147 174.441 174.600 -0.020 0.000 1.115 643 S CA -0.533 57.651 58.200 -0.027 0.000 1.059 643 S CB 1.294 64.470 63.200 -0.041 0.000 1.046 643 S HN 0.438 nan 8.310 nan 0.000 0.506 644 N N 2.331 121.026 118.700 -0.008 0.000 2.235 644 N HA 0.318 5.058 4.740 -0.001 0.000 0.209 644 N C -0.491 175.006 175.510 -0.021 0.000 1.122 644 N CA -0.077 52.979 53.050 0.010 0.000 0.845 644 N CB 0.440 38.952 38.487 0.041 0.000 1.004 644 N HN 0.572 nan 8.380 nan 0.000 0.499 645 A N 0.181 122.969 122.820 -0.054 0.000 2.273 645 A HA 0.578 4.898 4.320 -0.001 0.000 0.320 645 A C 0.220 177.696 177.584 -0.181 0.000 1.358 645 A CA -0.488 51.499 52.037 -0.082 0.000 0.910 645 A CB 0.171 19.136 19.000 -0.057 0.000 1.159 645 A HN 0.306 nan 8.150 nan 0.000 0.526 646 T N 0.323 114.734 114.554 -0.237 0.000 2.675 646 T HA 0.866 5.215 4.350 -0.001 0.000 0.241 646 T C 0.705 175.132 174.700 -0.455 0.000 0.949 646 T CA -0.165 61.631 62.100 -0.506 0.000 1.077 646 T CB 0.041 68.622 68.868 -0.479 0.000 1.797 646 T HN 2.264 nan 8.240 nan 0.000 0.551 647 G N 0.043 108.518 108.800 -0.541 0.000 2.750 647 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.686 647 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.686 647 G C 0.190 175.067 174.900 -0.038 0.000 1.395 647 G CA -0.200 44.836 45.100 -0.106 0.000 0.918 647 G HN 0.966 nan 8.290 nan 0.000 0.594 648 L N 0.491 121.847 121.223 0.222 0.000 2.556 648 L HA 0.239 4.579 4.340 -0.001 0.000 0.230 648 L C 1.483 178.127 176.870 -0.377 0.000 1.163 648 L CA 2.159 57.048 54.840 0.082 0.000 0.819 648 L CB -0.421 41.718 42.059 0.133 0.000 0.939 648 L HN 0.591 nan 8.230 nan 0.000 0.452 649 F N -2.081 117.887 119.950 0.031 0.000 2.901 649 F HA 0.251 4.777 4.527 -0.001 0.000 0.329 649 F C 1.145 176.931 175.800 -0.024 0.000 1.185 649 F CA -0.573 57.430 58.000 0.005 0.000 1.114 649 F CB -0.250 38.740 39.000 -0.017 0.000 1.199 649 F HN -0.060 nan 8.300 nan 0.000 0.513 650 N N 1.480 120.183 118.700 0.006 0.000 2.714 650 N HA -0.226 4.514 4.740 -0.001 0.000 0.250 650 N C 0.405 175.923 175.510 0.014 0.000 1.117 650 N CA 1.295 54.321 53.050 -0.040 0.000 0.719 650 N CB -0.632 37.830 38.487 -0.041 0.000 1.081 650 N HN 0.585 nan 8.380 nan 0.000 0.557 651 D N -1.592 118.840 120.400 0.053 0.000 2.369 651 D HA 0.033 4.673 4.640 -0.001 0.000 0.211 651 D C 0.356 176.683 176.300 0.046 0.000 1.077 651 D CA -0.018 54.019 54.000 0.063 0.000 0.842 651 D CB 0.329 41.184 40.800 0.092 0.000 0.947 651 D HN 0.605 nan 8.370 nan 0.000 0.509 652 E N 1.080 121.291 120.200 0.018 0.000 2.221 652 E HA 0.320 4.670 4.350 -0.001 0.000 0.268 652 E C -0.570 176.038 176.600 0.013 0.000 0.933 652 E CA -0.636 55.780 56.400 0.026 0.000 0.809 652 E CB 1.706 31.419 29.700 0.021 0.000 1.190 652 E HN 0.056 nan 8.360 nan 0.000 0.406 653 T N -0.573 114.021 114.554 0.068 0.000 2.929 653 T HA 0.259 4.609 4.350 -0.001 0.000 0.284 653 T C 0.983 175.666 174.700 -0.028 0.000 1.014 653 T CA -0.831 61.294 62.100 0.042 0.000 1.051 653 T CB 1.506 70.432 68.868 0.097 0.000 1.028 653 T HN 0.226 nan 8.240 nan 0.000 0.485 654 V N 0.369 120.243 119.914 -0.066 0.000 2.407 654 V HA 0.211 4.331 4.120 -0.001 0.000 0.245 654 V C 0.049 175.850 176.094 -0.489 0.000 1.041 654 V CA 1.007 63.174 62.300 -0.220 0.000 1.040 654 V CB -0.699 31.069 31.823 -0.092 0.000 0.671 654 V HN 0.836 nan 8.190 nan 0.000 0.455 655 F N -0.727 119.191 119.950 -0.054 0.000 2.557 655 F HA 0.712 5.238 4.527 -0.000 0.000 0.316 655 F C 0.325 176.057 175.800 -0.114 0.000 1.141 655 F CA -0.935 57.006 58.000 -0.098 0.000 0.922 655 F CB 1.100 40.035 39.000 -0.108 0.000 1.194 655 F HN -0.043 nan 8.300 nan 0.000 0.443 656 A N 3.660 126.431 122.820 -0.082 0.000 2.587 656 A HA 0.258 4.578 4.320 -0.001 0.000 0.235 656 A C -0.065 177.537 177.584 0.029 0.000 1.044 656 A CA 0.166 52.130 52.037 -0.123 0.000 0.754 656 A CB 0.146 18.922 19.000 -0.374 0.000 0.968 656 A HN 0.743 nan 8.150 nan 0.000 0.509 657 K N 2.139 122.579 120.400 0.066 0.000 2.545 657 K HA 0.402 4.721 4.320 -0.001 0.000 0.252 657 K C -0.696 175.945 176.600 0.069 0.000 0.948 657 K CA -0.338 55.984 56.287 0.059 0.000 0.827 657 K CB 0.684 33.216 32.500 0.054 0.000 1.128 657 K HN 0.800 nan 8.250 nan 0.000 0.429 658 D N 0.989 121.422 120.400 0.054 0.000 2.884 658 D HA -0.239 4.401 4.640 -0.001 0.000 0.186 658 D C -0.333 176.019 176.300 0.086 0.000 1.520 658 D CA 2.175 56.209 54.000 0.058 0.000 1.997 658 D CB -0.381 40.454 40.800 0.058 0.000 1.362 658 D HN 0.825 nan 8.370 nan 0.000 0.474 659 E N 0.308 120.585 120.200 0.127 0.000 2.356 659 E HA 0.534 4.884 4.350 -0.001 0.000 0.275 659 E C -0.296 176.457 176.600 0.256 0.000 0.904 659 E CA -1.058 55.455 56.400 0.189 0.000 0.757 659 E CB 2.822 32.645 29.700 0.206 0.000 1.232 659 E HN 0.075 nan 8.360 nan 0.000 0.442 660 V N -0.138 119.971 119.914 0.326 0.000 2.472 660 V HA 0.618 4.737 4.120 -0.001 0.000 0.290 660 V C 0.388 176.627 176.094 0.242 0.000 1.037 660 V CA -0.028 62.548 62.300 0.460 0.000 0.908 660 V CB 1.142 33.244 31.823 0.465 0.000 0.985 660 V HN 0.929 nan 8.190 nan 0.000 0.454 661 T N -0.410 114.143 114.554 -0.002 0.000 3.293 661 T HA 0.513 4.862 4.350 -0.001 0.000 0.276 661 T C -0.026 174.540 174.700 -0.223 0.000 1.003 661 T CA 0.201 62.138 62.100 -0.273 0.000 0.916 661 T CB -0.728 67.902 68.868 -0.397 0.000 1.134 661 T HN 1.973 nan 8.240 nan 0.000 0.530 662 C N -0.848 118.409 119.300 -0.071 0.000 2.860 662 C HA 0.541 5.001 4.460 -0.001 0.000 0.329 662 C C -1.028 174.004 174.990 0.070 0.000 1.210 662 C CA -1.066 57.940 59.018 -0.019 0.000 1.142 662 C CB 0.461 28.167 27.740 -0.056 0.000 1.335 662 C HN 0.238 nan 8.230 nan 0.000 0.493 663 V N 3.405 123.357 119.914 0.064 0.000 2.488 663 V HA 0.621 4.741 4.120 -0.001 0.000 0.277 663 V C 1.545 177.702 176.094 0.104 0.000 1.046 663 V CA 2.066 64.411 62.300 0.075 0.000 0.986 663 V CB 0.850 32.694 31.823 0.035 0.000 0.989 663 V HN 2.524 nan 8.190 nan 0.000 0.475 664 G N 3.174 112.054 108.800 0.132 0.000 2.159 664 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.227 664 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.227 664 G C 0.192 175.205 174.900 0.188 0.000 0.986 664 G CA 0.149 45.331 45.100 0.136 0.000 0.651 664 G HN 0.901 nan 8.290 nan 0.000 0.523 665 H N 0.343 119.464 119.070 0.086 0.000 2.722 665 H HA 0.452 5.008 4.556 -0.001 0.000 0.328 665 H C 0.692 176.078 175.328 0.098 0.000 1.067 665 H CA -0.611 55.486 56.048 0.082 0.000 1.447 665 H CB 0.378 30.193 29.762 0.089 0.000 1.469 665 H HN 0.227 nan 8.280 nan 0.000 0.544 666 I N 7.290 127.876 120.570 0.027 0.000 2.517 666 I HA -0.115 4.055 4.170 -0.001 0.000 0.285 666 I C 0.988 177.036 176.117 -0.114 0.000 1.106 666 I CA 0.253 61.527 61.300 -0.043 0.000 1.402 666 I CB 0.707 38.644 38.000 -0.104 0.000 1.399 666 I HN 0.672 nan 8.210 nan 0.000 0.535 667 I N 4.499 125.117 120.570 0.080 0.000 2.810 667 I HA 0.213 4.382 4.170 -0.001 0.000 0.262 667 I C 1.319 177.641 176.117 0.342 0.000 1.131 667 I CA 0.415 61.804 61.300 0.148 0.000 1.453 667 I CB 0.082 38.190 38.000 0.180 0.000 1.161 667 I HN 0.728 nan 8.210 nan 0.000 0.444 668 G N 0.010 109.068 108.800 0.429 0.000 2.815 668 G HA2 0.770 4.730 3.960 -0.001 0.000 0.305 668 G HA3 0.770 4.730 3.960 -0.001 0.000 0.305 668 G C -1.932 173.202 174.900 0.390 0.000 1.277 668 G CA 0.024 45.207 45.100 0.137 0.000 0.795 668 G HN 0.191 nan 8.290 nan 0.000 0.528 669 A N -0.855 121.986 122.820 0.035 0.000 2.465 669 A HA 0.662 4.981 4.320 -0.001 0.000 0.292 669 A C -1.119 176.651 177.584 0.309 0.000 1.041 669 A CA -0.360 51.841 52.037 0.272 0.000 0.718 669 A CB 1.601 20.779 19.000 0.297 0.000 1.266 669 A HN 1.226 nan 8.150 nan 0.000 0.403 670 V N 2.179 122.357 119.914 0.441 0.000 2.567 670 V HA 0.535 4.655 4.120 -0.001 0.000 0.289 670 V C -0.121 176.134 176.094 0.268 0.000 1.049 670 V CA -0.303 62.281 62.300 0.475 0.000 0.969 670 V CB 1.594 33.666 31.823 0.415 0.000 0.995 670 V HN 0.681 nan 8.190 nan 0.000 0.471 671 V N 3.821 123.848 119.914 0.187 0.000 2.531 671 V HA 0.929 5.049 4.120 -0.001 0.000 0.301 671 V C 0.122 176.221 176.094 0.008 0.000 1.034 671 V CA -0.079 62.257 62.300 0.060 0.000 0.865 671 V CB 1.345 33.156 31.823 -0.021 0.000 0.995 671 V HN 1.116 nan 8.190 nan 0.000 0.424 672 A N 3.073 125.931 122.820 0.065 0.000 2.529 672 A HA 0.743 5.062 4.320 -0.001 0.000 0.296 672 A C 0.368 177.997 177.584 0.075 0.000 1.205 672 A CA -0.038 52.048 52.037 0.082 0.000 0.671 672 A CB 1.220 20.341 19.000 0.201 0.000 1.301 672 A HN 0.696 nan 8.150 nan 0.000 0.450 673 D N 0.337 120.795 120.400 0.097 0.000 2.087 673 D HA -0.019 4.620 4.640 -0.001 0.000 0.203 673 D C 1.151 177.474 176.300 0.039 0.000 0.976 673 D CA 2.101 56.141 54.000 0.066 0.000 0.865 673 D CB -1.512 39.338 40.800 0.083 0.000 1.005 673 D HN 0.766 nan 8.370 nan 0.000 0.449 674 T N -2.746 111.811 114.554 0.004 0.000 2.882 674 T HA 0.365 4.715 4.350 -0.001 0.000 0.287 674 T C -2.035 172.653 174.700 -0.020 0.000 1.014 674 T CA -1.517 60.542 62.100 -0.068 0.000 1.049 674 T CB 1.949 70.675 68.868 -0.238 0.000 1.001 674 T HN -0.203 nan 8.240 nan 0.000 0.525 675 P HA -0.013 nan 4.420 nan 0.000 0.218 675 P C 1.216 178.531 177.300 0.025 0.000 1.149 675 P CA 0.783 63.894 63.100 0.020 0.000 0.817 675 P CB 0.087 31.795 31.700 0.013 0.000 0.785 676 E N -1.266 118.920 120.200 -0.024 0.000 2.058 676 E HA -0.204 4.146 4.350 -0.001 0.000 0.194 676 E C 1.909 178.577 176.600 0.113 0.000 0.997 676 E CA 1.404 57.804 56.400 0.001 0.000 0.801 676 E CB -1.041 28.614 29.700 -0.075 0.000 0.746 676 E HN 0.530 nan 8.360 nan 0.000 0.450 677 H N -0.927 118.175 119.070 0.054 0.000 2.462 677 H HA 0.143 4.698 4.556 -0.000 0.000 0.292 677 H C 1.881 177.265 175.328 0.093 0.000 1.049 677 H CA 0.308 56.397 56.048 0.069 0.000 1.334 677 H CB 0.182 29.990 29.762 0.077 0.000 1.404 677 H HN 0.199 nan 8.280 nan 0.000 0.544 678 A N 0.913 123.858 122.820 0.209 0.000 1.898 678 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 678 A C 2.223 179.894 177.584 0.146 0.000 1.181 678 A CA 1.386 53.533 52.037 0.184 0.000 0.620 678 A CB -0.385 18.700 19.000 0.142 0.000 0.819 678 A HN 0.402 nan 8.150 nan 0.000 0.442 679 Q N -0.578 119.287 119.800 0.109 0.000 2.016 679 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 679 Q C 2.396 178.431 176.000 0.057 0.000 0.978 679 Q CA 1.560 57.407 55.803 0.072 0.000 0.833 679 Q CB -0.214 28.550 28.738 0.044 0.000 0.895 679 Q HN 0.655 nan 8.270 nan 0.000 0.427 680 R N -0.301 120.240 120.500 0.069 0.000 2.139 680 R HA -0.175 4.165 4.340 -0.001 0.000 0.243 680 R C 1.999 178.300 176.300 0.001 0.000 1.145 680 R CA 1.249 57.372 56.100 0.038 0.000 0.976 680 R CB -0.185 30.151 30.300 0.060 0.000 0.866 680 R HN 0.317 nan 8.270 nan 0.000 0.449 681 A N 0.429 123.265 122.820 0.027 0.000 1.872 681 A HA 0.001 4.321 4.320 -0.001 0.000 0.214 681 A C 2.325 179.863 177.584 -0.076 0.000 1.187 681 A CA 1.271 53.284 52.037 -0.039 0.000 0.614 681 A CB -0.674 18.379 19.000 0.088 0.000 0.826 681 A HN 0.478 nan 8.150 nan 0.000 0.442 682 A N -0.187 122.637 122.820 0.006 0.000 1.940 682 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 682 A C 2.221 179.768 177.584 -0.063 0.000 1.176 682 A CA 1.801 53.830 52.037 -0.013 0.000 0.631 682 A CB -0.507 18.534 19.000 0.068 0.000 0.814 682 A HN 0.536 nan 8.150 nan 0.000 0.446 683 R N -0.533 119.943 120.500 -0.041 0.000 2.237 683 R HA -0.073 4.266 4.340 -0.001 0.000 0.219 683 R C 1.771 178.023 176.300 -0.081 0.000 1.080 683 R CA 1.055 57.129 56.100 -0.043 0.000 0.995 683 R CB -0.397 29.888 30.300 -0.025 0.000 0.875 683 R HN 0.460 nan 8.270 nan 0.000 0.462 684 G N -0.272 108.452 108.800 -0.127 0.000 2.985 684 G HA2 0.087 4.047 3.960 -0.001 0.000 0.209 684 G HA3 0.087 4.047 3.960 -0.001 0.000 0.209 684 G C 0.015 174.781 174.900 -0.225 0.000 1.165 684 G CA -0.256 44.744 45.100 -0.167 0.000 0.776 684 G HN 0.080 nan 8.290 nan 0.000 0.541 685 V N 2.386 122.147 119.914 -0.254 0.000 2.299 685 V HA 0.219 4.338 4.120 -0.001 0.000 0.255 685 V C 0.014 175.984 176.094 -0.207 0.000 1.100 685 V CA -0.891 61.200 62.300 -0.348 0.000 0.938 685 V CB 0.584 32.062 31.823 -0.575 0.000 1.139 685 V HN 0.046 nan 8.190 nan 0.000 0.490 686 K N 4.864 125.168 120.400 -0.160 0.000 2.322 686 K HA 0.534 4.854 4.320 -0.001 0.000 0.283 686 K C -0.430 176.117 176.600 -0.089 0.000 1.042 686 K CA 0.043 56.277 56.287 -0.088 0.000 0.958 686 K CB 1.491 33.949 32.500 -0.071 0.000 0.984 686 K HN 0.519 nan 8.250 nan 0.000 0.473 687 I N 1.485 122.025 120.570 -0.050 0.000 2.646 687 I HA 0.265 4.435 4.170 -0.001 0.000 0.299 687 I C 0.277 176.333 176.117 -0.101 0.000 1.036 687 I CA -0.891 60.328 61.300 -0.135 0.000 1.074 687 I CB 2.326 40.193 38.000 -0.222 0.000 1.258 687 I HN 0.535 nan 8.210 nan 0.000 0.430 688 T N 0.945 115.379 114.554 -0.199 0.000 2.841 688 T HA 0.711 5.061 4.350 -0.001 0.000 0.283 688 T C -1.032 173.592 174.700 -0.127 0.000 1.000 688 T CA -0.588 61.488 62.100 -0.040 0.000 0.977 688 T CB 1.341 70.204 68.868 -0.008 0.000 0.979 688 T HN 0.334 nan 8.240 nan 0.000 0.446 689 Y N 0.015 120.331 120.300 0.028 0.000 2.662 689 Y HA 0.695 5.245 4.550 -0.001 0.000 0.335 689 Y C 0.323 176.237 175.900 0.024 0.000 1.066 689 Y CA -1.490 56.631 58.100 0.034 0.000 1.116 689 Y CB 1.865 40.352 38.460 0.044 0.000 1.308 689 Y HN 0.680 nan 8.280 nan 0.000 0.502 690 E N 1.305 121.635 120.200 0.216 0.000 2.621 690 E HA 0.163 4.513 4.350 -0.001 0.000 0.263 690 E C -1.612 175.040 176.600 0.086 0.000 1.033 690 E CA -0.537 55.928 56.400 0.109 0.000 0.778 690 E CB 0.967 30.708 29.700 0.069 0.000 1.426 690 E HN 0.590 nan 8.360 nan 0.000 0.394 691 D N 2.366 122.799 120.400 0.054 0.000 2.443 691 D HA 0.091 4.730 4.640 -0.001 0.000 0.234 691 D C 0.028 176.292 176.300 -0.060 0.000 1.172 691 D CA 0.869 54.871 54.000 0.004 0.000 0.878 691 D CB 1.107 41.894 40.800 -0.020 0.000 1.204 691 D HN 0.279 nan 8.370 nan 0.000 0.453 692 L N 1.258 122.389 121.223 -0.154 0.000 2.327 692 L HA 0.336 4.676 4.340 -0.001 0.000 0.258 692 L C -2.397 174.279 176.870 -0.323 0.000 1.024 692 L CA -2.163 52.491 54.840 -0.310 0.000 0.825 692 L CB 1.787 43.483 42.059 -0.605 0.000 1.386 692 L HN 0.052 nan 8.230 nan 0.000 0.417 693 P HA 0.030 nan 4.420 nan 0.000 0.257 693 P C -0.937 176.313 177.300 -0.083 0.000 1.189 693 P CA 0.226 63.241 63.100 -0.142 0.000 0.780 693 P CB 0.393 32.030 31.700 -0.106 0.000 0.772 694 A N 4.501 127.313 122.820 -0.014 0.000 2.306 694 A HA 0.538 4.858 4.320 -0.001 0.000 0.314 694 A C -0.167 177.429 177.584 0.021 0.000 1.164 694 A CA -0.365 51.714 52.037 0.070 0.000 0.822 694 A CB 0.334 19.363 19.000 0.048 0.000 1.130 694 A HN 0.381 nan 8.150 nan 0.000 0.496 695 I N 4.618 125.198 120.570 0.017 0.000 2.620 695 I HA 0.144 4.313 4.170 -0.001 0.000 0.280 695 I C 0.693 176.778 176.117 -0.053 0.000 1.143 695 I CA -0.488 60.789 61.300 -0.039 0.000 1.163 695 I CB -0.107 37.850 38.000 -0.071 0.000 1.461 695 I HN 0.509 nan 8.210 nan 0.000 0.530 696 I N 1.817 122.356 120.570 -0.052 0.000 2.162 696 I HA -0.102 4.067 4.170 -0.001 0.000 0.238 696 I C 1.653 177.717 176.117 -0.089 0.000 1.076 696 I CA 1.262 62.520 61.300 -0.070 0.000 1.353 696 I CB -0.986 36.975 38.000 -0.065 0.000 1.063 696 I HN 0.459 nan 8.210 nan 0.000 0.408 697 T N -1.035 113.472 114.554 -0.078 0.000 2.847 697 T HA 0.421 4.770 4.350 -0.001 0.000 0.279 697 T C 1.480 176.152 174.700 -0.047 0.000 0.984 697 T CA -0.545 61.511 62.100 -0.073 0.000 0.988 697 T CB 1.686 70.507 68.868 -0.080 0.000 1.040 697 T HN 0.099 nan 8.240 nan 0.000 0.528 698 I N 0.400 120.958 120.570 -0.019 0.000 2.264 698 I HA -0.186 3.984 4.170 -0.001 0.000 0.248 698 I C 2.882 178.987 176.117 -0.019 0.000 1.111 698 I CA 1.545 62.860 61.300 0.024 0.000 1.382 698 I CB -0.449 37.588 38.000 0.062 0.000 1.060 698 I HN 0.690 nan 8.210 nan 0.000 0.418 699 Q N 1.285 121.044 119.800 -0.068 0.000 1.993 699 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 699 Q C 1.790 177.748 176.000 -0.069 0.000 0.984 699 Q CA 1.899 57.648 55.803 -0.090 0.000 0.837 699 Q CB -0.350 28.330 28.738 -0.097 0.000 0.902 699 Q HN 0.369 nan 8.270 nan 0.000 0.423 700 D N -0.208 120.152 120.400 -0.068 0.000 2.157 700 D HA -0.261 4.379 4.640 -0.001 0.000 0.191 700 D C 1.574 177.820 176.300 -0.089 0.000 1.004 700 D CA 1.812 55.770 54.000 -0.071 0.000 0.854 700 D CB -0.269 40.491 40.800 -0.067 0.000 0.936 700 D HN 0.433 nan 8.370 nan 0.000 0.446 701 A N 0.898 123.667 122.820 -0.085 0.000 1.877 701 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 701 A C 2.451 179.929 177.584 -0.176 0.000 1.186 701 A CA 1.009 52.958 52.037 -0.146 0.000 0.620 701 A CB -0.714 18.249 19.000 -0.061 0.000 0.822 701 A HN 0.218 nan 8.150 nan 0.000 0.443 702 I N 0.273 120.851 120.570 0.015 0.000 2.208 702 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 702 I C 1.770 177.895 176.117 0.012 0.000 1.097 702 I CA 1.311 62.692 61.300 0.134 0.000 1.363 702 I CB -0.615 37.413 38.000 0.046 0.000 1.051 702 I HN 0.322 nan 8.210 nan 0.000 0.413 703 N N 0.983 119.656 118.700 -0.046 0.000 2.381 703 N HA -0.107 4.633 4.740 -0.001 0.000 0.182 703 N C 1.168 176.632 175.510 -0.077 0.000 1.025 703 N CA 0.934 53.954 53.050 -0.050 0.000 0.888 703 N CB -0.335 38.121 38.487 -0.053 0.000 0.965 703 N HN 0.468 nan 8.380 nan 0.000 0.438 704 N N 0.729 119.349 118.700 -0.134 0.000 2.236 704 N HA -0.020 4.719 4.740 -0.001 0.000 0.196 704 N C -0.313 175.048 175.510 -0.247 0.000 1.114 704 N CA -0.031 52.922 53.050 -0.161 0.000 0.859 704 N CB 0.167 38.560 38.487 -0.158 0.000 0.982 704 N HN 0.114 nan 8.380 nan 0.000 0.493 705 N N 0.901 119.396 118.700 -0.342 0.000 2.725 705 N HA -0.198 4.542 4.740 -0.001 0.000 0.251 705 N C -1.089 173.953 175.510 -0.780 0.000 1.031 705 N CA 0.375 53.123 53.050 -0.505 0.000 0.720 705 N CB -1.185 37.214 38.487 -0.147 0.000 0.930 705 N HN 0.030 nan 8.380 nan 0.000 0.543 706 S N 1.129 116.213 115.700 -1.027 0.000 2.512 706 S HA 0.639 5.109 4.470 -0.001 0.000 0.291 706 S C -0.500 173.578 174.600 -0.871 0.000 1.151 706 S CA -0.573 57.191 58.200 -0.727 0.000 1.120 706 S CB -0.201 62.741 63.200 -0.430 0.000 1.029 706 S HN 0.317 nan 8.310 nan 0.000 0.485 707 F N 2.033 121.879 119.950 -0.174 0.000 2.679 707 F HA 0.475 5.001 4.527 -0.001 0.000 0.341 707 F C -0.610 175.023 175.800 -0.279 0.000 1.095 707 F CA -1.412 56.466 58.000 -0.203 0.000 1.004 707 F CB 1.272 40.224 39.000 -0.080 0.000 1.388 707 F HN 0.280 nan 8.300 nan 0.000 0.505 708 Y N 1.187 121.590 120.300 0.172 0.000 2.841 708 Y HA 0.493 5.043 4.550 -0.001 0.000 0.329 708 Y C 0.587 176.480 175.900 -0.011 0.000 1.062 708 Y CA -0.166 57.952 58.100 0.030 0.000 1.281 708 Y CB 0.693 39.138 38.460 -0.026 0.000 1.147 708 Y HN 0.818 nan 8.280 nan 0.000 0.521 709 G N 1.138 110.021 108.800 0.139 0.000 2.698 709 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.225 709 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.225 709 G C -0.169 174.751 174.900 0.034 0.000 1.345 709 G CA -0.545 44.589 45.100 0.055 0.000 0.871 709 G HN 0.771 nan 8.290 nan 0.000 0.540 710 S N -0.546 115.144 115.700 -0.016 0.000 2.641 710 S HA 0.583 5.052 4.470 -0.001 0.000 0.261 710 S C 0.462 174.994 174.600 -0.113 0.000 1.257 710 S CA 0.542 58.717 58.200 -0.042 0.000 0.983 710 S CB 1.227 64.402 63.200 -0.043 0.000 0.990 710 S HN 1.554 nan 8.310 nan 0.000 0.572 711 E N -0.023 120.090 120.200 -0.144 0.000 2.301 711 E HA 0.482 4.831 4.350 -0.001 0.000 0.275 711 E C -0.768 175.719 176.600 -0.187 0.000 1.030 711 E CA -0.789 55.486 56.400 -0.209 0.000 0.852 711 E CB 0.480 30.040 29.700 -0.233 0.000 1.060 711 E HN 0.607 nan 8.360 nan 0.000 0.401 712 I N 2.386 122.819 120.570 -0.229 0.000 2.472 712 I HA 0.296 4.465 4.170 -0.001 0.000 0.290 712 I C 0.262 176.303 176.117 -0.126 0.000 1.016 712 I CA -0.465 60.676 61.300 -0.265 0.000 1.348 712 I CB 0.966 38.737 38.000 -0.381 0.000 1.417 712 I HN 0.581 nan 8.210 nan 0.000 0.521 713 K N 6.496 126.888 120.400 -0.014 0.000 2.542 713 K HA 0.651 4.971 4.320 -0.001 0.000 0.259 713 K C -1.880 174.846 176.600 0.210 0.000 0.932 713 K CA -0.556 55.781 56.287 0.084 0.000 0.820 713 K CB 2.108 34.635 32.500 0.045 0.000 1.345 713 K HN 0.560 nan 8.250 nan 0.000 0.432 714 I N 3.371 124.054 120.570 0.189 0.000 2.533 714 I HA 0.334 4.503 4.170 -0.001 0.000 0.290 714 I C -1.060 175.159 176.117 0.169 0.000 1.056 714 I CA -0.611 60.809 61.300 0.201 0.000 1.057 714 I CB 2.163 40.290 38.000 0.212 0.000 1.240 714 I HN 0.669 nan 8.210 nan 0.000 0.423 715 E N 5.863 126.146 120.200 0.138 0.000 2.321 715 E HA 0.509 4.858 4.350 -0.001 0.000 0.281 715 E C -1.763 174.886 176.600 0.082 0.000 0.910 715 E CA -1.115 55.344 56.400 0.099 0.000 0.770 715 E CB 2.905 32.644 29.700 0.065 0.000 1.225 715 E HN 0.441 nan 8.360 nan 0.000 0.417 716 K N 2.227 122.667 120.400 0.067 0.000 2.427 716 K HA 0.611 4.930 4.320 -0.001 0.000 0.252 716 K C 0.019 176.623 176.600 0.006 0.000 0.931 716 K CA 0.273 56.587 56.287 0.046 0.000 0.793 716 K CB 1.772 34.313 32.500 0.067 0.000 1.211 716 K HN 0.914 nan 8.250 nan 0.000 0.426 717 G N 2.305 111.103 108.800 -0.004 0.000 2.568 717 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.222 717 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.222 717 G C -1.362 173.515 174.900 -0.038 0.000 1.321 717 G CA -0.159 44.924 45.100 -0.027 0.000 0.893 717 G HN 0.648 nan 8.290 nan 0.000 0.569 718 D N 0.319 120.683 120.400 -0.061 0.000 2.505 718 D HA 0.535 5.175 4.640 -0.001 0.000 0.250 718 D C 1.653 177.880 176.300 -0.122 0.000 1.164 718 D CA -0.556 53.405 54.000 -0.066 0.000 0.870 718 D CB 1.169 41.941 40.800 -0.046 0.000 1.160 718 D HN 0.334 nan 8.370 nan 0.000 0.549 719 L N 3.102 124.243 121.223 -0.138 0.000 1.988 719 L HA -0.119 4.221 4.340 -0.001 0.000 0.207 719 L C 2.357 179.096 176.870 -0.217 0.000 1.071 719 L CA 0.916 55.596 54.840 -0.268 0.000 0.744 719 L CB -0.153 41.784 42.059 -0.202 0.000 0.893 719 L HN 0.373 nan 8.230 nan 0.000 0.433 720 K N 0.261 120.640 120.400 -0.036 0.000 2.020 720 K HA -0.295 4.025 4.320 -0.001 0.000 0.212 720 K C 2.126 178.748 176.600 0.037 0.000 1.050 720 K CA 1.932 58.256 56.287 0.061 0.000 0.929 720 K CB -0.239 32.292 32.500 0.052 0.000 0.714 720 K HN 0.178 nan 8.250 nan 0.000 0.443 721 K N 0.444 120.837 120.400 -0.012 0.000 2.063 721 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 721 K C 2.193 178.776 176.600 -0.027 0.000 1.048 721 K CA 1.775 58.054 56.287 -0.014 0.000 0.928 721 K CB -0.341 32.144 32.500 -0.026 0.000 0.713 721 K HN 0.254 nan 8.250 nan 0.000 0.442 722 G N -0.029 108.712 108.800 -0.098 0.000 2.422 722 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 722 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 722 G C 1.329 176.200 174.900 -0.049 0.000 1.146 722 G CA 0.543 45.563 45.100 -0.133 0.000 0.769 722 G HN 0.332 nan 8.290 nan 0.000 0.547 723 F N 1.028 120.959 119.950 -0.033 0.000 2.259 723 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 723 F C 3.052 178.825 175.800 -0.045 0.000 1.088 723 F CA 0.562 58.537 58.000 -0.040 0.000 1.358 723 F CB 0.184 39.162 39.000 -0.036 0.000 1.040 723 F HN 0.089 nan 8.300 nan 0.000 0.505 724 S N 0.046 115.838 115.700 0.153 0.000 2.383 724 S HA -0.208 4.262 4.470 -0.001 0.000 0.229 724 S C 1.347 175.968 174.600 0.035 0.000 1.030 724 S CA 1.330 59.571 58.200 0.069 0.000 1.002 724 S CB -0.382 62.843 63.200 0.043 0.000 0.829 724 S HN 0.448 nan 8.310 nan 0.000 0.467 725 E N 1.062 121.281 120.200 0.032 0.000 2.476 725 E HA 0.268 4.617 4.350 -0.001 0.000 0.191 725 E C 0.199 176.800 176.600 0.002 0.000 1.064 725 E CA -0.151 56.254 56.400 0.008 0.000 0.866 725 E CB 0.113 29.813 29.700 -0.000 0.000 0.952 725 E HN 0.354 nan 8.360 nan 0.000 0.492 726 A N 1.619 124.451 122.820 0.019 0.000 2.350 726 A HA 0.064 4.384 4.320 -0.001 0.000 0.293 726 A C 0.381 177.904 177.584 -0.101 0.000 1.231 726 A CA -0.550 51.475 52.037 -0.021 0.000 0.883 726 A CB 0.327 19.360 19.000 0.055 0.000 1.133 726 A HN -0.034 nan 8.150 nan 0.000 0.533 727 D N 1.460 121.772 120.400 -0.146 0.000 2.097 727 D HA -0.076 4.564 4.640 -0.001 0.000 0.195 727 D C 0.375 176.517 176.300 -0.262 0.000 0.989 727 D CA 1.477 55.375 54.000 -0.169 0.000 0.827 727 D CB 0.127 40.832 40.800 -0.158 0.000 0.966 727 D HN 0.621 nan 8.370 nan 0.000 0.456 728 N N -0.363 118.050 118.700 -0.479 0.000 2.402 728 N HA 0.442 5.182 4.740 -0.001 0.000 0.294 728 N C -1.001 174.199 175.510 -0.517 0.000 1.203 728 N CA -0.450 52.212 53.050 -0.647 0.000 0.838 728 N CB 3.254 40.957 38.487 -1.307 0.000 1.306 728 N HN -0.260 nan 8.380 nan 0.000 0.510 729 V N 1.517 121.252 119.914 -0.299 0.000 2.674 729 V HA 0.155 4.275 4.120 -0.001 0.000 0.279 729 V C -0.675 175.402 176.094 -0.029 0.000 1.051 729 V CA -0.705 61.514 62.300 -0.137 0.000 0.912 729 V CB 1.751 33.430 31.823 -0.240 0.000 1.044 729 V HN 0.347 nan 8.190 nan 0.000 0.464 730 V N 3.178 123.183 119.914 0.151 0.000 2.532 730 V HA 0.702 4.822 4.120 -0.001 0.000 0.295 730 V C 0.338 176.447 176.094 0.025 0.000 1.041 730 V CA -0.238 62.150 62.300 0.146 0.000 0.926 730 V CB 2.043 34.056 31.823 0.316 0.000 0.992 730 V HN 0.799 nan 8.190 nan 0.000 0.457 731 S N 1.406 117.054 115.700 -0.087 0.000 2.607 731 S HA 0.976 5.446 4.470 -0.001 0.000 0.303 731 S C 0.138 174.495 174.600 -0.406 0.000 1.086 731 S CA -0.139 57.894 58.200 -0.278 0.000 0.995 731 S CB 1.989 65.075 63.200 -0.191 0.000 1.084 731 S HN 1.335 nan 8.310 nan 0.000 0.507 732 G N 0.623 108.962 108.800 -0.769 0.000 2.368 732 G HA2 0.514 4.474 3.960 -0.001 0.000 0.293 732 G HA3 0.514 4.474 3.960 -0.001 0.000 0.293 732 G C -2.347 172.351 174.900 -0.337 0.000 1.467 732 G CA -0.699 44.096 45.100 -0.509 0.000 0.804 732 G HN 0.525 nan 8.290 nan 0.000 0.535 733 E N -0.170 120.090 120.200 0.100 0.000 2.255 733 E HA 0.396 4.746 4.350 -0.001 0.000 0.256 733 E C -1.352 175.393 176.600 0.242 0.000 0.887 733 E CA -0.717 55.795 56.400 0.188 0.000 0.782 733 E CB 2.689 32.444 29.700 0.091 0.000 1.214 733 E HN 0.327 nan 8.360 nan 0.000 0.417 734 L N 3.772 125.147 121.223 0.252 0.000 2.322 734 L HA 0.450 4.790 4.340 -0.001 0.000 0.279 734 L C -1.520 175.442 176.870 0.154 0.000 1.036 734 L CA -0.681 54.182 54.840 0.039 0.000 0.807 734 L CB 0.770 42.702 42.059 -0.212 0.000 1.226 734 L HN 0.478 nan 8.230 nan 0.000 0.433 735 Y N 5.342 125.642 120.300 0.000 0.000 2.350 735 Y HA 0.662 5.212 4.550 -0.001 0.000 0.338 735 Y C -1.001 174.927 175.900 0.046 0.000 0.961 735 Y CA -1.091 57.044 58.100 0.059 0.000 1.100 735 Y CB 1.194 39.689 38.460 0.059 0.000 1.179 735 Y HN 0.516 nan 8.280 nan 0.000 0.454 736 I N 6.486 126.705 120.570 -0.585 0.000 2.362 736 I HA 0.449 4.619 4.170 -0.001 0.000 0.289 736 I C 0.887 176.606 176.117 -0.663 0.000 0.994 736 I CA -0.932 60.095 61.300 -0.456 0.000 1.158 736 I CB 1.322 39.203 38.000 -0.198 0.000 1.315 736 I HN 0.859 nan 8.210 nan 0.000 0.451 737 G N 3.889 112.448 108.800 -0.402 0.000 2.699 737 G HA2 0.372 4.331 3.960 -0.001 0.000 0.246 737 G HA3 0.372 4.331 3.960 -0.001 0.000 0.246 737 G C 0.587 175.421 174.900 -0.110 0.000 1.219 737 G CA 0.019 45.010 45.100 -0.182 0.000 0.866 737 G HN 0.763 nan 8.290 nan 0.000 0.572 738 G N -1.479 107.332 108.800 0.017 0.000 2.679 738 G HA2 0.488 4.447 3.960 -0.001 0.000 0.202 738 G HA3 0.488 4.447 3.960 -0.001 0.000 0.202 738 G C -0.052 174.825 174.900 -0.037 0.000 1.566 738 G CA 0.204 45.315 45.100 0.020 0.000 1.074 738 G HN 0.838 nan 8.290 nan 0.000 0.564 739 Q N -1.545 118.254 119.800 -0.001 0.000 2.872 739 Q HA 0.193 4.533 4.340 -0.001 0.000 0.221 739 Q C -1.996 174.070 176.000 0.110 0.000 0.998 739 Q CA -0.587 55.213 55.803 -0.006 0.000 1.078 739 Q CB 1.379 29.855 28.738 -0.436 0.000 1.890 739 Q HN 0.551 nan 8.270 nan 0.000 0.512 740 E N 1.748 121.988 120.200 0.068 0.000 2.227 740 E HA 0.235 4.585 4.350 -0.001 0.000 0.282 740 E C -0.129 176.564 176.600 0.155 0.000 1.015 740 E CA 0.289 56.640 56.400 -0.082 0.000 0.823 740 E CB 0.707 30.042 29.700 -0.607 0.000 1.081 740 E HN 0.665 nan 8.360 nan 0.000 0.396 741 H N 4.147 123.201 119.070 -0.027 0.000 2.352 741 H HA -0.049 4.507 4.556 -0.001 0.000 0.299 741 H C 0.143 175.340 175.328 -0.219 0.000 1.097 741 H CA 1.548 57.334 56.048 -0.438 0.000 1.311 741 H CB -0.351 29.009 29.762 -0.669 0.000 1.377 741 H HN 0.656 nan 8.280 nan 0.000 0.504 742 F N 0.196 119.913 119.950 -0.388 0.000 3.027 742 F HA -0.259 4.267 4.527 -0.001 0.000 0.276 742 F C -0.754 174.982 175.800 -0.108 0.000 0.967 742 F CA -0.422 57.422 58.000 -0.260 0.000 0.929 742 F CB -1.898 37.093 39.000 -0.014 0.000 0.873 742 F HN 0.190 nan 8.300 nan 0.000 0.787 743 Y N -0.335 120.064 120.300 0.165 0.000 2.511 743 Y HA 0.221 4.771 4.550 -0.001 0.000 0.332 743 Y C 1.373 177.203 175.900 -0.117 0.000 1.177 743 Y CA -0.686 57.528 58.100 0.191 0.000 1.422 743 Y CB 0.223 38.655 38.460 -0.047 0.000 1.271 743 Y HN 0.245 nan 8.280 nan 0.000 0.550 744 L N 1.040 122.332 121.223 0.116 0.000 2.079 744 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 744 L C 1.274 177.966 176.870 -0.297 0.000 1.081 744 L CA 1.312 56.167 54.840 0.025 0.000 0.752 744 L CB -0.023 42.205 42.059 0.282 0.000 0.896 744 L HN 0.798 nan 8.230 nan 0.000 0.433 745 E N 0.549 120.308 120.200 -0.736 0.000 2.130 745 E HA 0.108 4.458 4.350 -0.001 0.000 0.284 745 E C 0.174 176.489 176.600 -0.476 0.000 1.018 745 E CA -0.351 55.342 56.400 -1.178 0.000 0.817 745 E CB 0.790 29.565 29.700 -1.543 0.000 1.078 745 E HN 0.193 nan 8.360 nan 0.000 0.396 746 T N 2.204 116.587 114.554 -0.285 0.000 2.681 746 T HA 0.075 4.425 4.350 -0.001 0.000 0.333 746 T C 0.676 175.193 174.700 -0.306 0.000 1.049 746 T CA -0.607 61.412 62.100 -0.136 0.000 1.002 746 T CB 0.286 69.130 68.868 -0.041 0.000 1.161 746 T HN 0.400 nan 8.240 nan 0.000 0.519 747 N N -0.046 118.517 118.700 -0.228 0.000 2.520 747 N HA 0.338 5.078 4.740 -0.001 0.000 0.273 747 N C -1.020 174.413 175.510 -0.128 0.000 1.155 747 N CA -0.124 52.789 53.050 -0.228 0.000 0.967 747 N CB 0.857 39.252 38.487 -0.154 0.000 1.092 747 N HN 0.674 nan 8.380 nan 0.000 0.457 748 C N 1.759 120.989 119.300 -0.117 0.000 2.701 748 C HA 0.532 4.991 4.460 -0.001 0.000 0.336 748 C C -0.681 174.298 174.990 -0.017 0.000 1.123 748 C CA -0.213 58.776 59.018 -0.048 0.000 1.326 748 C CB 1.097 28.815 27.740 -0.037 0.000 1.833 748 C HN 0.683 nan 8.230 nan 0.000 0.473 749 T N 5.828 120.391 114.554 0.016 0.000 2.916 749 T HA 0.607 4.957 4.350 -0.001 0.000 0.298 749 T C -1.120 173.629 174.700 0.081 0.000 1.031 749 T CA -0.221 61.906 62.100 0.045 0.000 0.993 749 T CB 1.191 70.076 68.868 0.029 0.000 1.045 749 T HN 0.560 nan 8.240 nan 0.000 0.454 750 I N 2.457 123.110 120.570 0.138 0.000 2.439 750 I HA 0.624 4.794 4.170 -0.001 0.000 0.285 750 I C -0.138 176.115 176.117 0.226 0.000 1.021 750 I CA -0.928 60.477 61.300 0.175 0.000 1.091 750 I CB 1.555 39.668 38.000 0.189 0.000 1.242 750 I HN 0.685 nan 8.210 nan 0.000 0.439 751 A N 6.262 129.183 122.820 0.168 0.000 2.271 751 A HA 0.670 4.989 4.320 -0.001 0.000 0.317 751 A C -0.916 176.767 177.584 0.165 0.000 1.245 751 A CA -0.533 51.593 52.037 0.149 0.000 0.857 751 A CB 1.495 20.555 19.000 0.100 0.000 1.175 751 A HN 0.472 nan 8.150 nan 0.000 0.512 752 V N 6.094 126.121 119.914 0.188 0.000 2.350 752 V HA 0.502 4.621 4.120 -0.001 0.000 0.285 752 V C -2.356 173.785 176.094 0.079 0.000 1.014 752 V CA -2.202 60.192 62.300 0.157 0.000 0.831 752 V CB 2.030 34.019 31.823 0.276 0.000 1.000 752 V HN 0.824 nan 8.190 nan 0.000 0.433 753 P HA 0.270 nan 4.420 nan 0.000 0.281 753 P C -0.313 176.981 177.300 -0.011 0.000 1.252 753 P CA -0.398 62.712 63.100 0.018 0.000 0.778 753 P CB 1.182 32.885 31.700 0.005 0.000 0.895 754 K N 2.254 122.654 120.400 0.000 0.000 2.459 754 K HA 0.107 4.427 4.320 -0.001 0.000 0.193 754 K C 1.638 178.224 176.600 -0.022 0.000 1.030 754 K CA 0.734 57.014 56.287 -0.012 0.000 1.026 754 K CB -0.837 31.664 32.500 0.001 0.000 0.809 754 K HN 0.830 nan 8.250 nan 0.000 0.504 755 G N 1.946 110.733 108.800 -0.023 0.000 2.267 755 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.257 755 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.257 755 G C -0.220 174.670 174.900 -0.018 0.000 0.998 755 G CA 0.726 45.809 45.100 -0.030 0.000 0.620 755 G HN 0.485 nan 8.290 nan 0.000 0.529 756 E N -2.011 118.184 120.200 -0.008 0.000 2.292 756 E HA 0.689 5.039 4.350 -0.001 0.000 0.272 756 E C 0.479 177.081 176.600 0.004 0.000 0.881 756 E CA -0.499 55.899 56.400 -0.004 0.000 0.754 756 E CB 1.820 31.516 29.700 -0.008 0.000 1.201 756 E HN 1.777 nan 8.360 nan 0.000 0.425 757 A N 2.435 125.260 122.820 0.008 0.000 2.979 757 A HA -0.120 4.200 4.320 -0.001 0.000 0.260 757 A C 1.490 179.085 177.584 0.018 0.000 1.282 757 A CA 1.304 53.346 52.037 0.010 0.000 0.971 757 A CB -2.361 16.641 19.000 0.003 0.000 1.124 757 A HN 2.215 nan 8.150 nan 0.000 0.826 758 G N -1.602 107.219 108.800 0.034 0.000 2.160 758 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.251 758 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.251 758 G C -0.207 174.715 174.900 0.037 0.000 1.008 758 G CA 0.964 46.097 45.100 0.055 0.000 0.724 758 G HN 1.228 nan 8.290 nan 0.000 0.514 759 E N -0.542 119.672 120.200 0.024 0.000 2.338 759 E HA 0.590 4.940 4.350 -0.001 0.000 0.272 759 E C 0.403 177.015 176.600 0.020 0.000 1.029 759 E CA 0.111 56.520 56.400 0.014 0.000 0.872 759 E CB 0.716 30.420 29.700 0.006 0.000 1.015 759 E HN 0.405 nan 8.360 nan 0.000 0.417 760 M N 2.566 122.173 119.600 0.012 0.000 2.322 760 M HA 0.235 4.715 4.480 -0.001 0.000 0.285 760 M C -1.635 174.660 176.300 -0.008 0.000 1.119 760 M CA -0.374 54.936 55.300 0.018 0.000 0.953 760 M CB 1.990 34.609 32.600 0.031 0.000 1.701 760 M HN 0.401 nan 8.290 nan 0.000 0.479 761 E N 3.650 123.850 120.200 0.000 0.000 2.166 761 E HA 0.603 4.952 4.350 -0.001 0.000 0.275 761 E C -1.835 174.713 176.600 -0.085 0.000 0.941 761 E CA -0.667 55.686 56.400 -0.078 0.000 0.784 761 E CB 1.729 31.397 29.700 -0.053 0.000 1.115 761 E HN 0.528 nan 8.360 nan 0.000 0.399 762 L N 3.878 124.972 121.223 -0.215 0.000 2.362 762 L HA 0.417 4.756 4.340 -0.001 0.000 0.275 762 L C -0.982 175.687 176.870 -0.335 0.000 0.998 762 L CA -0.426 54.333 54.840 -0.135 0.000 0.820 762 L CB 1.038 43.061 42.059 -0.059 0.000 1.270 762 L HN 0.475 nan 8.230 nan 0.000 0.415 763 F N 3.200 123.155 119.950 0.008 0.000 2.334 763 F HA 0.593 5.119 4.527 -0.001 0.000 0.367 763 F C 0.020 175.811 175.800 -0.015 0.000 1.115 763 F CA -0.700 57.298 58.000 -0.004 0.000 1.116 763 F CB 1.120 40.122 39.000 0.003 0.000 1.230 763 F HN 0.049 nan 8.300 nan 0.000 0.484 764 V N 1.490 121.428 119.914 0.041 0.000 2.823 764 V HA 0.393 4.513 4.120 -0.001 0.000 0.312 764 V C -0.164 175.914 176.094 -0.027 0.000 1.072 764 V CA -1.045 61.255 62.300 0.002 0.000 0.937 764 V CB 2.130 33.926 31.823 -0.045 0.000 1.013 764 V HN 0.593 nan 8.190 nan 0.000 0.430 765 S N 2.591 118.255 115.700 -0.060 0.000 2.642 765 S HA 0.586 5.056 4.470 -0.001 0.000 0.309 765 S C -0.132 174.369 174.600 -0.165 0.000 1.125 765 S CA -0.109 58.023 58.200 -0.112 0.000 1.055 765 S CB -0.526 62.579 63.200 -0.160 0.000 1.157 765 S HN 0.916 nan 8.310 nan 0.000 0.513 766 T N 3.599 118.070 114.554 -0.139 0.000 2.816 766 T HA 0.342 4.691 4.350 -0.001 0.000 0.299 766 T C 0.051 174.675 174.700 -0.127 0.000 1.230 766 T CA -0.765 61.247 62.100 -0.148 0.000 1.007 766 T CB 1.794 70.585 68.868 -0.127 0.000 1.289 766 T HN 0.471 nan 8.240 nan 0.000 0.508 767 Q N 0.286 120.014 119.800 -0.120 0.000 2.171 767 Q HA 0.314 4.654 4.340 -0.001 0.000 0.218 767 Q C -0.156 175.802 176.000 -0.069 0.000 0.822 767 Q CA -0.211 55.539 55.803 -0.089 0.000 0.987 767 Q CB 0.493 29.179 28.738 -0.087 0.000 1.144 767 Q HN 0.271 nan 8.270 nan 0.000 0.494 768 N N 0.770 119.413 118.700 -0.094 0.000 2.690 768 N HA 0.046 4.786 4.740 -0.001 0.000 0.255 768 N C 0.343 175.771 175.510 -0.136 0.000 1.195 768 N CA 0.055 53.039 53.050 -0.108 0.000 0.790 768 N CB 1.142 39.552 38.487 -0.128 0.000 1.216 768 N HN 0.135 nan 8.380 nan 0.000 0.528 769 T N 0.125 114.613 114.554 -0.109 0.000 2.770 769 T HA -0.157 4.192 4.350 -0.001 0.000 0.263 769 T C 1.910 176.532 174.700 -0.129 0.000 1.039 769 T CA 0.836 62.869 62.100 -0.112 0.000 1.142 769 T CB -0.167 68.648 68.868 -0.088 0.000 0.868 769 T HN 0.434 nan 8.240 nan 0.000 0.435 770 M N 0.768 120.298 119.600 -0.117 0.000 2.088 770 M HA -0.162 4.317 4.480 -0.001 0.000 0.256 770 M C 2.001 178.192 176.300 -0.182 0.000 1.071 770 M CA 1.846 57.074 55.300 -0.119 0.000 1.097 770 M CB -0.173 32.371 32.600 -0.093 0.000 1.315 770 M HN 0.021 nan 8.290 nan 0.000 0.406 771 K N -0.574 119.653 120.400 -0.288 0.000 2.296 771 K HA 0.012 4.331 4.320 -0.001 0.000 0.200 771 K C 1.866 178.050 176.600 -0.693 0.000 1.048 771 K CA 1.550 57.488 56.287 -0.581 0.000 0.966 771 K CB -0.569 31.473 32.500 -0.765 0.000 0.754 771 K HN 0.458 nan 8.250 nan 0.000 0.466 772 T N 1.728 116.047 114.554 -0.392 0.000 2.777 772 T HA -0.167 4.183 4.350 -0.001 0.000 0.266 772 T C 1.920 176.541 174.700 -0.132 0.000 1.040 772 T CA 1.275 63.225 62.100 -0.249 0.000 1.141 772 T CB 0.012 68.784 68.868 -0.160 0.000 0.868 772 T HN 0.349 nan 8.240 nan 0.000 0.444 773 Q N 0.852 120.578 119.800 -0.123 0.000 1.990 773 Q HA -0.109 4.230 4.340 -0.001 0.000 0.200 773 Q C 2.450 178.443 176.000 -0.011 0.000 0.980 773 Q CA 1.661 57.426 55.803 -0.062 0.000 0.832 773 Q CB -0.226 28.470 28.738 -0.070 0.000 0.897 773 Q HN 0.386 nan 8.270 nan 0.000 0.427 774 S N 0.376 116.069 115.700 -0.013 0.000 2.383 774 S HA -0.124 4.346 4.470 -0.001 0.000 0.229 774 S C 1.547 176.312 174.600 0.275 0.000 1.030 774 S CA 1.153 59.411 58.200 0.097 0.000 1.002 774 S CB -0.308 62.955 63.200 0.106 0.000 0.829 774 S HN 0.358 nan 8.310 nan 0.000 0.467 775 F N 1.037 120.962 119.950 -0.042 0.000 2.206 775 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 775 F C 2.350 178.127 175.800 -0.038 0.000 1.090 775 F CA -0.292 57.684 58.000 -0.039 0.000 1.323 775 F CB -1.260 37.717 39.000 -0.038 0.000 1.028 775 F HN 0.024 nan 8.300 nan 0.000 0.492 776 V N -0.145 119.864 119.914 0.158 0.000 2.453 776 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 776 V C 2.576 178.688 176.094 0.029 0.000 1.048 776 V CA 1.412 63.753 62.300 0.068 0.000 1.049 776 V CB -1.346 30.499 31.823 0.036 0.000 0.672 776 V HN 0.285 nan 8.190 nan 0.000 0.457 777 A N 0.221 123.061 122.820 0.034 0.000 1.845 777 A HA -0.269 4.051 4.320 -0.001 0.000 0.215 777 A C 2.336 179.918 177.584 -0.004 0.000 1.195 777 A CA 2.222 54.263 52.037 0.006 0.000 0.616 777 A CB -0.590 18.415 19.000 0.010 0.000 0.832 777 A HN 0.471 nan 8.150 nan 0.000 0.443 778 K N -1.147 119.262 120.400 0.015 0.000 2.113 778 K HA -0.183 4.137 4.320 -0.001 0.000 0.208 778 K C 2.085 178.665 176.600 -0.033 0.000 1.047 778 K CA 1.734 58.012 56.287 -0.014 0.000 0.928 778 K CB -0.202 32.285 32.500 -0.023 0.000 0.716 778 K HN 0.474 nan 8.250 nan 0.000 0.446 779 M N 0.810 120.395 119.600 -0.025 0.000 2.200 779 M HA -0.111 4.369 4.480 -0.001 0.000 0.265 779 M C 1.712 177.975 176.300 -0.063 0.000 1.066 779 M CA 1.472 56.753 55.300 -0.032 0.000 1.127 779 M CB -0.205 32.392 32.600 -0.005 0.000 1.379 779 M HN 0.224 nan 8.290 nan 0.000 0.420 780 L N -0.832 120.337 121.223 -0.089 0.000 2.127 780 L HA 0.117 4.457 4.340 -0.001 0.000 0.203 780 L C 1.468 178.248 176.870 -0.150 0.000 1.080 780 L CA 0.877 55.606 54.840 -0.185 0.000 0.768 780 L CB -0.355 41.581 42.059 -0.205 0.000 0.924 780 L HN 0.582 nan 8.230 nan 0.000 0.444 781 G N 0.500 109.249 108.800 -0.086 0.000 2.135 781 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.183 781 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.183 781 G C -0.060 174.812 174.900 -0.046 0.000 1.004 781 G CA -0.018 45.046 45.100 -0.060 0.000 0.677 781 G HN 0.252 nan 8.290 nan 0.000 0.512 782 V N -2.619 117.269 119.914 -0.044 0.000 2.919 782 V HA 0.985 5.104 4.120 -0.001 0.000 0.316 782 V C -2.115 173.966 176.094 -0.021 0.000 1.077 782 V CA -2.513 59.770 62.300 -0.027 0.000 0.977 782 V CB 1.948 33.757 31.823 -0.023 0.000 1.039 782 V HN 0.035 nan 8.190 nan 0.000 0.441 783 P HA 0.307 nan 4.420 nan 0.000 0.273 783 P C -0.072 177.218 177.300 -0.016 0.000 1.250 783 P CA -0.179 62.911 63.100 -0.017 0.000 0.793 783 P CB 0.453 32.143 31.700 -0.017 0.000 1.011 784 D N -0.328 120.062 120.400 -0.018 0.000 2.310 784 D HA -0.127 4.513 4.640 -0.001 0.000 0.212 784 D C 1.368 177.655 176.300 -0.023 0.000 0.965 784 D CA 0.763 54.751 54.000 -0.020 0.000 0.879 784 D CB -0.447 40.339 40.800 -0.024 0.000 0.921 784 D HN 0.280 nan 8.370 nan 0.000 0.510 785 N N 1.128 119.815 118.700 -0.021 0.000 2.069 785 N HA -0.170 4.570 4.740 -0.001 0.000 0.196 785 N C 1.529 177.028 175.510 -0.018 0.000 1.024 785 N CA 0.984 54.023 53.050 -0.020 0.000 0.869 785 N CB -0.014 38.463 38.487 -0.017 0.000 1.035 785 N HN 0.240 nan 8.380 nan 0.000 0.434 786 R N -0.148 120.343 120.500 -0.015 0.000 2.299 786 R HA 0.136 4.475 4.340 -0.001 0.000 0.197 786 R C 0.082 176.373 176.300 -0.014 0.000 0.971 786 R CA 0.176 56.269 56.100 -0.011 0.000 1.030 786 R CB 0.355 30.653 30.300 -0.004 0.000 0.932 786 R HN 0.184 nan 8.270 nan 0.000 0.477 787 I N 1.432 121.989 120.570 -0.022 0.000 2.378 787 I HA 0.281 4.450 4.170 -0.001 0.000 0.291 787 I C -0.135 175.953 176.117 -0.048 0.000 0.992 787 I CA -1.167 60.115 61.300 -0.030 0.000 1.154 787 I CB 1.888 39.873 38.000 -0.025 0.000 1.315 787 I HN -0.350 nan 8.210 nan 0.000 0.448 788 V N 7.008 126.882 119.914 -0.067 0.000 2.540 788 V HA 0.489 4.608 4.120 -0.001 0.000 0.302 788 V C -0.129 175.878 176.094 -0.145 0.000 1.035 788 V CA -0.692 61.549 62.300 -0.098 0.000 0.873 788 V CB 2.742 34.505 31.823 -0.100 0.000 0.992 788 V HN 0.445 nan 8.190 nan 0.000 0.428 789 V N 6.146 125.972 119.914 -0.146 0.000 2.448 789 V HA 0.577 4.697 4.120 -0.001 0.000 0.295 789 V C -0.128 175.846 176.094 -0.200 0.000 1.025 789 V CA -0.744 61.452 62.300 -0.174 0.000 0.859 789 V CB 1.875 33.622 31.823 -0.126 0.000 0.988 789 V HN 0.813 nan 8.190 nan 0.000 0.431 790 R N 3.326 123.654 120.500 -0.288 0.000 2.437 790 R HA 0.764 5.104 4.340 -0.001 0.000 0.310 790 R C -1.521 174.700 176.300 -0.132 0.000 0.955 790 R CA -0.627 55.324 56.100 -0.248 0.000 0.851 790 R CB 2.372 32.426 30.300 -0.410 0.000 1.161 790 R HN 0.497 nan 8.270 nan 0.000 0.446 791 V N 3.794 123.666 119.914 -0.069 0.000 2.409 791 V HA 0.174 4.294 4.120 -0.001 0.000 0.290 791 V C 0.739 176.837 176.094 0.006 0.000 1.017 791 V CA -0.566 61.721 62.300 -0.021 0.000 0.841 791 V CB 1.518 33.320 31.823 -0.036 0.000 1.003 791 V HN 0.793 nan 8.190 nan 0.000 0.426 792 K N 4.544 124.961 120.400 0.029 0.000 2.044 792 K HA 0.200 4.520 4.320 -0.001 0.000 0.204 792 K C 0.749 177.369 176.600 0.033 0.000 1.045 792 K CA 0.773 57.073 56.287 0.021 0.000 0.951 792 K CB 0.389 32.892 32.500 0.006 0.000 0.738 792 K HN 0.778 nan 8.250 nan 0.000 0.443 793 R N -0.891 119.611 120.500 0.004 0.000 2.709 793 R HA 0.317 4.656 4.340 -0.001 0.000 0.270 793 R C -1.643 174.677 176.300 0.033 0.000 1.038 793 R CA -0.826 55.281 56.100 0.011 0.000 0.872 793 R CB 0.782 31.070 30.300 -0.021 0.000 1.259 793 R HN -0.051 nan 8.270 nan 0.000 0.473 794 M N 0.759 120.380 119.600 0.035 0.000 2.528 794 M HA 0.424 4.903 4.480 -0.001 0.000 0.321 794 M C 0.278 176.615 176.300 0.061 0.000 1.153 794 M CA -0.726 54.574 55.300 -0.000 0.000 0.951 794 M CB 2.526 35.040 32.600 -0.143 0.000 1.705 794 M HN 0.930 nan 8.290 nan 0.000 0.451 795 G N 1.626 110.404 108.800 -0.036 0.000 3.506 795 G HA2 0.511 4.471 3.960 -0.001 0.000 0.268 795 G HA3 0.511 4.471 3.960 -0.001 0.000 0.268 795 G C 0.260 175.049 174.900 -0.185 0.000 0.959 795 G CA 0.210 45.237 45.100 -0.122 0.000 1.823 795 G HN 1.090 nan 8.290 nan 0.000 0.615 796 G N -0.961 107.707 108.800 -0.219 0.000 2.705 796 G HA2 0.362 4.322 3.960 -0.001 0.000 0.686 796 G HA3 0.362 4.322 3.960 -0.001 0.000 0.686 796 G C 0.567 175.128 174.900 -0.566 0.000 1.285 796 G CA -0.267 44.541 45.100 -0.488 0.000 0.800 796 G HN 1.364 nan 8.290 nan 0.000 0.611 797 G N -0.525 107.679 108.800 -0.994 0.000 2.920 797 G HA2 0.529 4.488 3.960 -0.001 0.000 0.215 797 G HA3 0.529 4.488 3.960 -0.001 0.000 0.215 797 G C 0.777 175.521 174.900 -0.260 0.000 1.523 797 G CA 0.755 45.570 45.100 -0.474 0.000 0.667 797 G HN 1.910 nan 8.290 nan 0.000 1.029 798 F N 1.339 121.285 119.950 -0.007 0.000 3.056 798 F HA -0.129 4.397 4.527 -0.001 0.000 0.266 798 F C 1.878 177.675 175.800 -0.005 0.000 0.957 798 F CA 0.833 58.827 58.000 -0.010 0.000 0.894 798 F CB -1.837 37.137 39.000 -0.044 0.000 0.832 798 F HN 1.256 nan 8.300 nan 0.000 0.745 799 G N -1.418 107.431 108.800 0.081 0.000 2.217 799 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.246 799 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.246 799 G C 1.180 176.063 174.900 -0.028 0.000 0.990 799 G CA 0.105 45.270 45.100 0.108 0.000 0.627 799 G HN 1.281 nan 8.290 nan 0.000 0.522 800 G N -0.138 108.411 108.800 -0.418 0.000 2.572 800 G HA2 0.226 4.186 3.960 -0.001 0.000 0.216 800 G HA3 0.226 4.186 3.960 -0.001 0.000 0.216 800 G C 1.118 175.865 174.900 -0.255 0.000 1.133 800 G CA 1.265 45.885 45.100 -0.800 0.000 0.791 800 G HN 0.510 nan 8.290 nan 0.000 0.538 801 K N -0.138 120.130 120.400 -0.219 0.000 2.618 801 K HA 0.203 4.523 4.320 -0.001 0.000 0.207 801 K C 1.207 177.730 176.600 -0.128 0.000 1.058 801 K CA -0.119 56.041 56.287 -0.213 0.000 1.086 801 K CB 0.822 33.124 32.500 -0.329 0.000 0.827 801 K HN 0.306 nan 8.250 nan 0.000 0.481 802 E N 0.598 120.760 120.200 -0.062 0.000 2.299 802 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 802 E C 1.061 177.650 176.600 -0.019 0.000 0.998 802 E CA 1.509 57.898 56.400 -0.019 0.000 0.851 802 E CB 0.502 30.232 29.700 0.049 0.000 0.795 802 E HN 0.263 nan 8.360 nan 0.000 0.492 803 T N -3.553 111.000 114.554 -0.002 0.000 3.339 803 T HA 0.181 4.531 4.350 -0.001 0.000 0.280 803 T C 1.238 175.963 174.700 0.042 0.000 0.857 803 T CA -0.606 61.498 62.100 0.007 0.000 0.838 803 T CB -0.116 68.806 68.868 0.091 0.000 1.241 803 T HN -0.084 nan 8.240 nan 0.000 0.713 804 R N 2.157 122.676 120.500 0.032 0.000 2.276 804 R HA 0.294 4.633 4.340 -0.001 0.000 0.196 804 R C 2.496 178.799 176.300 0.006 0.000 0.961 804 R CA 1.080 57.209 56.100 0.047 0.000 1.024 804 R CB -0.645 29.694 30.300 0.066 0.000 0.940 804 R HN 0.699 nan 8.270 nan 0.000 0.480 805 S N 0.583 116.255 115.700 -0.047 0.000 2.383 805 S HA -0.166 4.304 4.470 -0.001 0.000 0.227 805 S C 2.085 176.663 174.600 -0.036 0.000 1.026 805 S CA 1.661 59.815 58.200 -0.077 0.000 0.981 805 S CB -0.827 62.296 63.200 -0.128 0.000 0.818 805 S HN 0.434 nan 8.310 nan 0.000 0.472 806 T N 0.134 114.677 114.554 -0.018 0.000 2.869 806 T HA -0.059 4.291 4.350 -0.001 0.000 0.270 806 T C 1.628 176.367 174.700 0.065 0.000 1.082 806 T CA 1.128 63.248 62.100 0.034 0.000 1.123 806 T CB -1.005 67.928 68.868 0.107 0.000 0.856 806 T HN 0.213 nan 8.240 nan 0.000 0.499 807 V N 0.352 120.294 119.914 0.047 0.000 2.720 807 V HA -0.043 4.076 4.120 -0.001 0.000 0.256 807 V C 2.459 178.534 176.094 -0.032 0.000 1.082 807 V CA 1.374 63.678 62.300 0.007 0.000 1.101 807 V CB -0.234 31.601 31.823 0.019 0.000 0.693 807 V HN 0.557 nan 8.190 nan 0.000 0.479 808 V N -1.417 118.489 119.914 -0.013 0.000 2.581 808 V HA -0.067 4.053 4.120 -0.001 0.000 0.240 808 V C 2.441 178.536 176.094 0.001 0.000 1.054 808 V CA 1.569 63.862 62.300 -0.011 0.000 1.076 808 V CB 0.033 31.850 31.823 -0.011 0.000 0.748 808 V HN 0.529 nan 8.190 nan 0.000 0.474 809 S N 1.266 116.967 115.700 0.002 0.000 2.389 809 S HA -0.325 4.145 4.470 -0.001 0.000 0.229 809 S C 2.274 176.892 174.600 0.029 0.000 1.048 809 S CA 2.666 60.874 58.200 0.013 0.000 1.117 809 S CB -0.814 62.386 63.200 0.000 0.000 1.020 809 S HN 0.852 nan 8.310 nan 0.000 0.430 810 T N 1.257 115.830 114.554 0.032 0.000 2.699 810 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 810 T C 1.855 176.579 174.700 0.041 0.000 1.036 810 T CA 1.626 63.747 62.100 0.036 0.000 1.147 810 T CB -0.790 68.090 68.868 0.021 0.000 0.862 810 T HN 0.404 nan 8.240 nan 0.000 0.446 811 A N 2.005 124.826 122.820 0.002 0.000 1.883 811 A HA 0.068 4.388 4.320 -0.001 0.000 0.217 811 A C 2.552 180.215 177.584 0.131 0.000 1.186 811 A CA 1.793 53.878 52.037 0.080 0.000 0.624 811 A CB -0.967 18.052 19.000 0.030 0.000 0.822 811 A HN 0.593 nan 8.150 nan 0.000 0.444 812 L N -0.923 120.352 121.223 0.087 0.000 2.027 812 L HA -0.177 4.163 4.340 -0.001 0.000 0.206 812 L C 3.125 180.049 176.870 0.091 0.000 1.074 812 L CA 1.040 55.932 54.840 0.087 0.000 0.745 812 L CB -0.820 41.283 42.059 0.074 0.000 0.898 812 L HN 0.433 nan 8.230 nan 0.000 0.433 813 A N 0.365 123.234 122.820 0.082 0.000 1.927 813 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 813 A C 2.238 179.889 177.584 0.110 0.000 1.185 813 A CA 2.115 54.201 52.037 0.083 0.000 0.639 813 A CB -0.812 18.224 19.000 0.060 0.000 0.820 813 A HN 0.348 nan 8.150 nan 0.000 0.451 814 L N -0.741 120.553 121.223 0.119 0.000 2.201 814 L HA 0.053 4.392 4.340 -0.001 0.000 0.212 814 L C 2.567 179.511 176.870 0.122 0.000 1.105 814 L CA 1.825 56.748 54.840 0.139 0.000 0.775 814 L CB -0.688 41.468 42.059 0.163 0.000 0.913 814 L HN 0.349 nan 8.230 nan 0.000 0.440 815 A N -0.696 122.183 122.820 0.100 0.000 1.897 815 A HA 0.042 4.362 4.320 -0.001 0.000 0.215 815 A C 2.425 180.038 177.584 0.047 0.000 1.181 815 A CA 1.374 53.447 52.037 0.060 0.000 0.620 815 A CB -0.951 18.087 19.000 0.064 0.000 0.821 815 A HN 0.500 nan 8.150 nan 0.000 0.443 816 A N -0.422 122.440 122.820 0.070 0.000 1.835 816 A HA -0.202 4.118 4.320 -0.001 0.000 0.215 816 A C 1.995 179.605 177.584 0.044 0.000 1.199 816 A CA 2.032 54.102 52.037 0.055 0.000 0.615 816 A CB -1.210 17.835 19.000 0.075 0.000 0.838 816 A HN 0.780 nan 8.150 nan 0.000 0.444 817 H N -0.279 118.795 119.070 0.006 0.000 2.518 817 H HA -0.122 4.434 4.556 -0.001 0.000 0.294 817 H C 1.760 177.079 175.328 -0.013 0.000 1.083 817 H CA 2.045 58.092 56.048 -0.003 0.000 1.264 817 H CB -0.017 29.747 29.762 0.003 0.000 1.370 817 H HN 0.536 nan 8.280 nan 0.000 0.560 818 K N -0.865 119.474 120.400 -0.102 0.000 2.348 818 K HA 0.024 4.344 4.320 -0.001 0.000 0.194 818 K C 1.511 178.032 176.600 -0.131 0.000 1.052 818 K CA 0.868 57.067 56.287 -0.147 0.000 1.004 818 K CB 0.529 33.010 32.500 -0.033 0.000 0.873 818 K HN 0.417 nan 8.250 nan 0.000 0.523 819 T N -4.185 110.312 114.554 -0.095 0.000 2.990 819 T HA 0.248 4.598 4.350 -0.001 0.000 0.249 819 T C 1.490 176.139 174.700 -0.084 0.000 1.039 819 T CA 0.521 62.572 62.100 -0.082 0.000 1.036 819 T CB 0.584 69.418 68.868 -0.057 0.000 0.994 819 T HN 0.266 nan 8.240 nan 0.000 0.489 820 G N 1.904 110.650 108.800 -0.090 0.000 2.267 820 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.257 820 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.257 820 G C 0.282 175.143 174.900 -0.066 0.000 0.998 820 G CA 0.153 45.203 45.100 -0.084 0.000 0.620 820 G HN 0.706 nan 8.290 nan 0.000 0.529 821 R N 0.996 121.464 120.500 -0.052 0.000 2.532 821 R HA 0.544 4.884 4.340 -0.001 0.000 0.272 821 R C -2.595 173.696 176.300 -0.014 0.000 1.032 821 R CA -1.848 54.226 56.100 -0.044 0.000 1.089 821 R CB 0.656 30.938 30.300 -0.030 0.000 1.098 821 R HN 0.095 nan 8.270 nan 0.000 0.526 822 P HA 0.086 nan 4.420 nan 0.000 0.276 822 P C -1.053 176.298 177.300 0.084 0.000 1.230 822 P CA -0.097 63.046 63.100 0.072 0.000 0.776 822 P CB 0.893 32.693 31.700 0.166 0.000 0.888 823 V N 4.233 124.200 119.914 0.089 0.000 2.680 823 V HA 0.622 4.741 4.120 -0.001 0.000 0.309 823 V C 0.108 176.254 176.094 0.086 0.000 1.052 823 V CA -0.628 61.718 62.300 0.077 0.000 0.908 823 V CB 2.074 33.936 31.823 0.066 0.000 1.001 823 V HN 0.497 nan 8.190 nan 0.000 0.431 824 R N 2.407 122.950 120.500 0.072 0.000 2.725 824 R HA 0.790 5.130 4.340 -0.001 0.000 0.277 824 R C -1.904 174.430 176.300 0.057 0.000 0.987 824 R CA -0.338 55.801 56.100 0.065 0.000 0.901 824 R CB 1.974 32.304 30.300 0.051 0.000 1.207 824 R HN 0.777 nan 8.270 nan 0.000 0.463 825 C N 5.502 124.833 119.300 0.052 0.000 2.505 825 C HA 0.554 5.014 4.460 -0.001 0.000 0.342 825 C C -1.069 173.940 174.990 0.031 0.000 1.121 825 C CA -0.657 58.388 59.018 0.046 0.000 1.306 825 C CB 1.101 28.872 27.740 0.051 0.000 1.897 825 C HN 0.958 nan 8.230 nan 0.000 0.446 826 M N 7.172 126.790 119.600 0.029 0.000 2.078 826 M HA 0.555 5.035 4.480 -0.001 0.000 0.320 826 M C -1.198 175.114 176.300 0.020 0.000 0.969 826 M CA -0.238 55.073 55.300 0.018 0.000 0.929 826 M CB 0.798 33.416 32.600 0.030 0.000 1.504 826 M HN 0.651 nan 8.290 nan 0.000 0.419 827 L N 4.576 125.804 121.223 0.008 0.000 2.416 827 L HA 0.186 4.526 4.340 -0.001 0.000 0.272 827 L C 0.252 177.140 176.870 0.029 0.000 1.161 827 L CA -0.135 54.718 54.840 0.022 0.000 0.845 827 L CB 0.363 42.434 42.059 0.020 0.000 1.119 827 L HN 0.679 nan 8.230 nan 0.000 0.464 828 D N 1.825 122.248 120.400 0.039 0.000 2.360 828 D HA 0.025 4.664 4.640 -0.001 0.000 0.242 828 D C 0.918 177.259 176.300 0.069 0.000 1.184 828 D CA -0.250 53.781 54.000 0.051 0.000 0.930 828 D CB 0.979 41.795 40.800 0.026 0.000 1.161 828 D HN 0.360 nan 8.370 nan 0.000 0.447 829 R N 0.775 121.336 120.500 0.102 0.000 2.083 829 R HA -0.173 4.167 4.340 -0.001 0.000 0.237 829 R C 1.472 177.846 176.300 0.123 0.000 1.137 829 R CA 2.065 58.222 56.100 0.094 0.000 0.951 829 R CB -0.238 30.149 30.300 0.145 0.000 0.851 829 R HN 0.523 nan 8.270 nan 0.000 0.434 830 D N -0.156 120.355 120.400 0.185 0.000 2.182 830 D HA -0.201 4.438 4.640 -0.001 0.000 0.201 830 D C 1.213 177.578 176.300 0.109 0.000 0.986 830 D CA 1.583 55.688 54.000 0.176 0.000 0.847 830 D CB -0.422 40.520 40.800 0.238 0.000 0.942 830 D HN 0.510 nan 8.370 nan 0.000 0.467 831 E N 0.044 120.295 120.200 0.086 0.000 2.076 831 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 831 E C 1.571 178.215 176.600 0.073 0.000 0.979 831 E CA 0.984 57.427 56.400 0.073 0.000 0.807 831 E CB -0.085 29.652 29.700 0.061 0.000 0.761 831 E HN 0.301 nan 8.360 nan 0.000 0.454 832 D N 0.586 121.029 120.400 0.071 0.000 2.084 832 D HA -0.139 4.501 4.640 -0.001 0.000 0.194 832 D C 2.001 178.349 176.300 0.081 0.000 0.990 832 D CA 1.290 55.340 54.000 0.084 0.000 0.826 832 D CB 0.142 41.003 40.800 0.101 0.000 0.971 832 D HN 0.021 nan 8.370 nan 0.000 0.453 833 M N -0.391 119.241 119.600 0.053 0.000 2.117 833 M HA -0.113 4.366 4.480 -0.001 0.000 0.262 833 M C 2.117 178.443 176.300 0.042 0.000 1.065 833 M CA 0.814 56.130 55.300 0.025 0.000 1.114 833 M CB -0.292 32.310 32.600 0.004 0.000 1.361 833 M HN 0.195 nan 8.290 nan 0.000 0.408 834 L N 0.915 122.171 121.223 0.055 0.000 1.994 834 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 834 L C 2.049 178.971 176.870 0.086 0.000 1.071 834 L CA 1.919 56.795 54.840 0.061 0.000 0.745 834 L CB -0.539 41.560 42.059 0.065 0.000 0.892 834 L HN 0.218 nan 8.230 nan 0.000 0.431 835 I N -0.653 119.971 120.570 0.089 0.000 2.235 835 I HA -0.198 3.972 4.170 -0.001 0.000 0.241 835 I C 2.248 178.428 176.117 0.105 0.000 1.085 835 I CA 1.478 62.836 61.300 0.097 0.000 1.378 835 I CB -0.929 37.122 38.000 0.085 0.000 1.076 835 I HN 0.417 nan 8.210 nan 0.000 0.415 836 T N -0.825 113.795 114.554 0.111 0.000 3.098 836 T HA 0.199 4.548 4.350 -0.001 0.000 0.266 836 T C 1.209 176.007 174.700 0.163 0.000 1.145 836 T CA 0.448 62.626 62.100 0.129 0.000 1.092 836 T CB -0.773 68.185 68.868 0.150 0.000 0.908 836 T HN 0.639 nan 8.240 nan 0.000 0.526 837 G N 0.108 109.003 108.800 0.158 0.000 2.601 837 G HA2 0.312 4.272 3.960 -0.001 0.000 0.252 837 G HA3 0.312 4.272 3.960 -0.001 0.000 0.252 837 G C 0.109 175.152 174.900 0.240 0.000 1.294 837 G CA -0.495 44.709 45.100 0.173 0.000 0.912 837 G HN 1.682 nan 8.290 nan 0.000 0.574 838 G N -1.783 107.170 108.800 0.254 0.000 2.393 838 G HA2 0.630 4.590 3.960 -0.001 0.000 0.264 838 G HA3 0.630 4.590 3.960 -0.001 0.000 0.264 838 G C -0.250 174.808 174.900 0.263 0.000 1.221 838 G CA 0.395 45.666 45.100 0.285 0.000 0.912 838 G HN 0.995 nan 8.290 nan 0.000 0.483 839 R N -0.072 120.584 120.500 0.260 0.000 2.694 839 R HA 0.298 4.637 4.340 -0.001 0.000 0.268 839 R C -0.585 175.812 176.300 0.161 0.000 1.061 839 R CA -0.226 56.010 56.100 0.226 0.000 1.133 839 R CB -0.007 30.231 30.300 -0.103 0.000 1.020 839 R HN 0.589 nan 8.270 nan 0.000 0.475 840 H N 3.525 122.668 119.070 0.121 0.000 2.742 840 H HA 0.219 4.775 4.556 -0.001 0.000 0.302 840 H C -2.049 173.419 175.328 0.232 0.000 1.069 840 H CA -1.574 54.583 56.048 0.181 0.000 1.446 840 H CB 0.942 30.861 29.762 0.263 0.000 1.462 840 H HN 0.411 nan 8.280 nan 0.000 0.499 841 P HA 0.107 nan 4.420 nan 0.000 0.275 841 P C -0.802 176.654 177.300 0.261 0.000 1.227 841 P CA 0.135 63.306 63.100 0.120 0.000 0.781 841 P CB 0.642 32.401 31.700 0.098 0.000 0.906 842 F N 1.960 121.837 119.950 -0.121 0.000 2.577 842 F HA 0.571 5.097 4.527 -0.000 0.000 0.318 842 F C -0.457 175.405 175.800 0.105 0.000 1.065 842 F CA -0.981 57.042 58.000 0.039 0.000 0.929 842 F CB 1.757 40.785 39.000 0.046 0.000 1.237 842 F HN 0.056 nan 8.300 nan 0.000 0.468 843 L N 3.226 124.661 121.223 0.353 0.000 2.406 843 L HA 0.794 5.134 4.340 -0.001 0.000 0.270 843 L C -1.081 176.022 176.870 0.388 0.000 0.982 843 L CA -0.390 54.675 54.840 0.375 0.000 0.843 843 L CB 1.064 43.301 42.059 0.298 0.000 1.225 843 L HN 0.586 nan 8.230 nan 0.000 0.412 844 A N 4.629 127.643 122.820 0.323 0.000 2.325 844 A HA 0.829 5.149 4.320 -0.001 0.000 0.333 844 A C -0.680 177.076 177.584 0.287 0.000 1.155 844 A CA -0.642 51.557 52.037 0.271 0.000 0.814 844 A CB 0.886 20.020 19.000 0.222 0.000 1.206 844 A HN 0.641 nan 8.150 nan 0.000 0.482 845 K N 2.220 122.770 120.400 0.250 0.000 2.626 845 K HA 0.354 4.673 4.320 -0.001 0.000 0.223 845 K C -1.528 175.171 176.600 0.164 0.000 0.992 845 K CA -0.192 56.196 56.287 0.168 0.000 1.024 845 K CB 1.134 33.725 32.500 0.152 0.000 1.225 845 K HN 0.751 nan 8.250 nan 0.000 0.498 846 Y N -0.503 119.863 120.300 0.111 0.000 2.519 846 Y HA 0.638 5.187 4.550 -0.000 0.000 0.324 846 Y C -0.495 175.448 175.900 0.072 0.000 1.214 846 Y CA -1.181 56.976 58.100 0.097 0.000 1.260 846 Y CB 1.418 39.982 38.460 0.173 0.000 1.311 846 Y HN 0.155 nan 8.280 nan 0.000 0.505 847 K N 2.421 122.899 120.400 0.130 0.000 2.729 847 K HA 0.440 4.760 4.320 -0.001 0.000 0.269 847 K C -2.366 174.334 176.600 0.166 0.000 1.065 847 K CA -0.513 55.803 56.287 0.048 0.000 1.000 847 K CB 1.896 34.383 32.500 -0.021 0.000 1.283 847 K HN 0.782 nan 8.250 nan 0.000 0.491 848 V N 2.576 122.566 119.914 0.126 0.000 2.539 848 V HA 0.831 4.951 4.120 -0.001 0.000 0.292 848 V C -0.187 176.099 176.094 0.320 0.000 1.045 848 V CA -0.063 62.251 62.300 0.023 0.000 0.945 848 V CB 1.529 33.117 31.823 -0.391 0.000 0.993 848 V HN 0.770 nan 8.190 nan 0.000 0.464 849 G N 5.982 115.015 108.800 0.388 0.000 2.478 849 G HA2 0.743 4.703 3.960 -0.001 0.000 0.317 849 G HA3 0.743 4.703 3.960 -0.001 0.000 0.317 849 G C -1.213 173.898 174.900 0.352 0.000 1.259 849 G CA -0.534 44.803 45.100 0.395 0.000 0.933 849 G HN 1.050 nan 8.290 nan 0.000 0.478 850 F N 0.538 120.499 119.950 0.018 0.000 2.685 850 F HA 0.770 5.296 4.527 -0.001 0.000 0.315 850 F C -0.597 175.203 175.800 0.000 0.000 1.126 850 F CA -1.845 56.151 58.000 -0.007 0.000 0.950 850 F CB 1.404 40.395 39.000 -0.014 0.000 1.360 850 F HN 0.225 nan 8.300 nan 0.000 0.469 851 M N 1.484 121.152 119.600 0.114 0.000 2.368 851 M HA 0.381 4.860 4.480 -0.001 0.000 0.311 851 M C 0.886 177.227 176.300 0.068 0.000 1.168 851 M CA -0.590 54.720 55.300 0.018 0.000 1.044 851 M CB 1.352 33.972 32.600 0.033 0.000 1.506 851 M HN 0.816 nan 8.290 nan 0.000 0.475 852 K N 0.210 120.618 120.400 0.013 0.000 2.152 852 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 852 K C 1.577 178.221 176.600 0.073 0.000 1.048 852 K CA 1.888 58.198 56.287 0.039 0.000 0.933 852 K CB -0.479 32.026 32.500 0.008 0.000 0.721 852 K HN 0.887 nan 8.250 nan 0.000 0.447 853 T N -2.580 112.009 114.554 0.059 0.000 3.051 853 T HA 0.022 4.372 4.350 -0.001 0.000 0.269 853 T C 1.552 176.289 174.700 0.063 0.000 1.127 853 T CA 1.059 63.189 62.100 0.050 0.000 1.107 853 T CB -0.025 68.862 68.868 0.033 0.000 0.898 853 T HN 0.437 nan 8.240 nan 0.000 0.517 854 G N 0.341 109.208 108.800 0.112 0.000 2.397 854 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.211 854 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.211 854 G C 0.355 175.302 174.900 0.079 0.000 1.077 854 G CA -0.111 45.043 45.100 0.091 0.000 0.649 854 G HN 0.689 nan 8.290 nan 0.000 0.511 855 T N 1.754 116.343 114.554 0.058 0.000 2.819 855 T HA 0.311 4.661 4.350 -0.001 0.000 0.282 855 T C 0.425 175.179 174.700 0.090 0.000 1.013 855 T CA 1.014 63.137 62.100 0.037 0.000 1.159 855 T CB 1.379 70.262 68.868 0.024 0.000 1.007 855 T HN 1.193 nan 8.240 nan 0.000 0.514 856 V N 5.845 125.783 119.914 0.040 0.000 2.481 856 V HA 0.528 4.647 4.120 -0.001 0.000 0.286 856 V C 0.699 176.796 176.094 0.005 0.000 1.042 856 V CA -0.092 62.238 62.300 0.050 0.000 0.928 856 V CB 1.493 33.294 31.823 -0.036 0.000 0.986 856 V HN 0.792 nan 8.190 nan 0.000 0.462 857 V N 3.133 123.052 119.914 0.009 0.000 3.398 857 V HA 0.852 4.972 4.120 -0.001 0.000 0.298 857 V C 0.207 176.230 176.094 -0.118 0.000 1.496 857 V CA 0.462 62.737 62.300 -0.042 0.000 1.044 857 V CB -0.017 31.796 31.823 -0.015 0.000 0.880 857 V HN 1.442 nan 8.190 nan 0.000 0.443 858 A N 0.861 123.594 122.820 -0.146 0.000 2.555 858 A HA 0.841 5.161 4.320 -0.001 0.000 0.297 858 A C -1.895 175.525 177.584 -0.273 0.000 1.060 858 A CA -0.378 51.457 52.037 -0.338 0.000 0.710 858 A CB 2.278 20.844 19.000 -0.722 0.000 1.282 858 A HN 0.712 nan 8.150 nan 0.000 0.399 859 L N 0.777 121.820 121.223 -0.300 0.000 2.434 859 L HA 0.896 5.236 4.340 -0.001 0.000 0.260 859 L C -0.672 176.140 176.870 -0.097 0.000 0.983 859 L CA -0.069 54.634 54.840 -0.228 0.000 0.820 859 L CB 2.090 43.977 42.059 -0.286 0.000 1.361 859 L HN 0.869 nan 8.230 nan 0.000 0.410 860 E N 3.359 123.573 120.200 0.024 0.000 2.466 860 E HA 0.565 4.915 4.350 -0.001 0.000 0.308 860 E C -2.173 174.503 176.600 0.127 0.000 0.933 860 E CA -0.480 55.976 56.400 0.094 0.000 0.800 860 E CB 1.459 31.264 29.700 0.176 0.000 1.434 860 E HN 0.436 nan 8.360 nan 0.000 0.389 861 V N 1.992 121.979 119.914 0.121 0.000 2.628 861 V HA 0.858 4.977 4.120 -0.001 0.000 0.306 861 V C -0.157 175.949 176.094 0.019 0.000 1.045 861 V CA -0.686 61.655 62.300 0.068 0.000 0.905 861 V CB 1.659 33.472 31.823 -0.017 0.000 0.997 861 V HN 0.729 nan 8.190 nan 0.000 0.436 862 A N 2.736 125.550 122.820 -0.009 0.000 2.360 862 A HA 0.752 5.071 4.320 -0.001 0.000 0.309 862 A C -0.691 176.889 177.584 -0.007 0.000 1.311 862 A CA -0.493 51.561 52.037 0.029 0.000 0.805 862 A CB -0.042 19.061 19.000 0.171 0.000 1.144 862 A HN 0.979 nan 8.150 nan 0.000 0.486 863 H N 0.413 119.433 119.070 -0.084 0.000 2.505 863 H HA 0.670 5.225 4.556 -0.001 0.000 0.351 863 H C -1.292 173.742 175.328 -0.490 0.000 1.151 863 H CA -0.587 55.440 56.048 -0.034 0.000 1.339 863 H CB 0.676 30.516 29.762 0.130 0.000 1.483 863 H HN 0.504 nan 8.280 nan 0.000 0.558 864 F N 0.621 120.508 119.950 -0.104 0.000 2.745 864 F HA 0.277 4.803 4.527 -0.001 0.000 0.343 864 F C -0.390 175.172 175.800 -0.396 0.000 1.196 864 F CA -0.855 57.030 58.000 -0.191 0.000 1.021 864 F CB 1.393 40.364 39.000 -0.049 0.000 1.297 864 F HN 0.526 nan 8.300 nan 0.000 0.486 865 S N 1.490 116.945 115.700 -0.409 0.000 2.541 865 S HA 0.413 4.883 4.470 -0.001 0.000 0.283 865 S C -0.475 174.128 174.600 0.005 0.000 1.196 865 S CA -0.855 57.095 58.200 -0.416 0.000 1.062 865 S CB 1.711 64.615 63.200 -0.493 0.000 1.009 865 S HN 0.526 nan 8.310 nan 0.000 0.502 866 N N 1.798 120.536 118.700 0.063 0.000 2.439 866 N HA 0.238 4.978 4.740 -0.001 0.000 0.243 866 N C 1.147 176.681 175.510 0.039 0.000 1.088 866 N CA -0.024 53.062 53.050 0.060 0.000 0.940 866 N CB 0.881 39.378 38.487 0.017 0.000 1.180 866 N HN 0.872 nan 8.380 nan 0.000 0.505 867 G N 1.884 110.779 108.800 0.158 0.000 2.394 867 G HA2 0.242 4.202 3.960 -0.001 0.000 0.214 867 G HA3 0.242 4.202 3.960 -0.001 0.000 0.214 867 G C 0.728 175.714 174.900 0.143 0.000 1.176 867 G CA 0.728 45.977 45.100 0.249 0.000 0.786 867 G HN 0.959 nan 8.290 nan 0.000 0.533 868 G N -0.294 108.592 108.800 0.143 0.000 2.500 868 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.209 868 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.209 868 G C 0.582 175.571 174.900 0.148 0.000 1.283 868 G CA 0.395 45.544 45.100 0.081 0.000 0.960 868 G HN 0.271 nan 8.290 nan 0.000 0.528 869 N N 0.012 118.753 118.700 0.067 0.000 2.272 869 N HA 0.001 4.741 4.740 -0.001 0.000 0.185 869 N C 0.785 176.359 175.510 0.107 0.000 1.014 869 N CA 2.024 55.089 53.050 0.025 0.000 0.870 869 N CB -0.106 38.341 38.487 -0.067 0.000 0.975 869 N HN 0.723 nan 8.380 nan 0.000 0.433 870 T N -1.052 113.579 114.554 0.128 0.000 2.903 870 T HA 0.117 4.467 4.350 -0.001 0.000 0.299 870 T C 0.806 175.349 174.700 -0.260 0.000 1.093 870 T CA -0.697 61.422 62.100 0.031 0.000 1.002 870 T CB 2.725 71.615 68.868 0.036 0.000 1.127 870 T HN 0.066 nan 8.240 nan 0.000 0.488 871 E N 1.596 121.418 120.200 -0.630 0.000 2.023 871 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 871 E C 0.870 177.265 176.600 -0.341 0.000 1.003 871 E CA 1.824 57.598 56.400 -1.043 0.000 0.809 871 E CB 0.062 29.260 29.700 -0.836 0.000 0.755 871 E HN 0.798 nan 8.360 nan 0.000 0.449 872 D N -1.061 119.339 120.400 -0.001 0.000 3.393 872 D HA -0.291 4.349 4.640 -0.001 0.000 0.178 872 D C 0.736 177.198 176.300 0.270 0.000 1.201 872 D CA 2.033 56.160 54.000 0.213 0.000 1.086 872 D CB -1.217 39.684 40.800 0.168 0.000 0.568 872 D HN 0.259 nan 8.370 nan 0.000 0.637 873 L N 0.902 122.279 121.223 0.257 0.000 2.592 873 L HA 0.083 4.423 4.340 -0.001 0.000 0.227 873 L C 2.460 179.350 176.870 0.033 0.000 1.127 873 L CA 0.236 55.243 54.840 0.277 0.000 0.884 873 L CB -0.054 42.276 42.059 0.453 0.000 1.065 873 L HN 0.177 nan 8.230 nan 0.000 0.457 874 S N 0.740 116.421 115.700 -0.032 0.000 2.401 874 S HA -0.353 4.116 4.470 -0.001 0.000 0.236 874 S C 2.027 176.492 174.600 -0.226 0.000 1.058 874 S CA 2.157 60.255 58.200 -0.170 0.000 1.151 874 S CB -0.388 62.858 63.200 0.076 0.000 1.049 874 S HN 0.484 nan 8.310 nan 0.000 0.432 875 R N 0.591 120.988 120.500 -0.171 0.000 2.200 875 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 875 R C 2.216 178.452 176.300 -0.107 0.000 1.127 875 R CA 1.530 57.534 56.100 -0.160 0.000 0.989 875 R CB -0.319 29.856 30.300 -0.208 0.000 0.869 875 R HN 0.328 nan 8.270 nan 0.000 0.459 876 S N -0.344 115.335 115.700 -0.035 0.000 2.478 876 S HA 0.138 4.608 4.470 -0.001 0.000 0.222 876 S C 1.680 176.289 174.600 0.015 0.000 1.008 876 S CA 0.122 58.402 58.200 0.133 0.000 0.928 876 S CB 0.067 63.497 63.200 0.384 0.000 0.781 876 S HN 0.334 nan 8.310 nan 0.000 0.518 877 I N 0.859 121.166 120.570 -0.437 0.000 2.286 877 I HA -0.126 4.043 4.170 -0.001 0.000 0.245 877 I C 2.403 178.377 176.117 -0.239 0.000 1.104 877 I CA 1.051 61.894 61.300 -0.761 0.000 1.397 877 I CB -0.254 37.183 38.000 -0.939 0.000 1.072 877 I HN 0.361 nan 8.210 nan 0.000 0.417 878 M N 0.957 120.464 119.600 -0.156 0.000 2.279 878 M HA -0.169 4.310 4.480 -0.001 0.000 0.264 878 M C 1.949 178.229 176.300 -0.034 0.000 1.062 878 M CA 1.761 57.033 55.300 -0.046 0.000 1.099 878 M CB -0.492 32.033 32.600 -0.125 0.000 1.394 878 M HN 0.131 nan 8.290 nan 0.000 0.426 879 E N -0.980 119.228 120.200 0.013 0.000 2.152 879 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 879 E C 2.122 178.917 176.600 0.325 0.000 0.983 879 E CA 0.922 57.398 56.400 0.126 0.000 0.818 879 E CB -0.237 29.627 29.700 0.273 0.000 0.758 879 E HN 0.553 nan 8.360 nan 0.000 0.467 880 R N 1.133 121.837 120.500 0.340 0.000 2.090 880 R HA -0.065 4.275 4.340 -0.001 0.000 0.228 880 R C 2.255 178.772 176.300 0.362 0.000 1.110 880 R CA 1.165 57.536 56.100 0.451 0.000 0.973 880 R CB -0.146 30.357 30.300 0.338 0.000 0.869 880 R HN 0.114 nan 8.270 nan 0.000 0.440 881 A N 1.349 124.247 122.820 0.131 0.000 1.841 881 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 881 A C 2.163 179.793 177.584 0.077 0.000 1.199 881 A CA 1.607 53.658 52.037 0.025 0.000 0.621 881 A CB -0.916 18.048 19.000 -0.060 0.000 0.835 881 A HN 0.360 nan 8.150 nan 0.000 0.445 882 L N -1.991 119.214 121.223 -0.030 0.000 2.089 882 L HA -0.233 4.107 4.340 -0.001 0.000 0.213 882 L C 2.373 179.360 176.870 0.195 0.000 1.079 882 L CA 1.334 56.178 54.840 0.007 0.000 0.758 882 L CB -0.605 41.412 42.059 -0.071 0.000 0.891 882 L HN 0.372 nan 8.230 nan 0.000 0.433 883 F N -0.828 119.225 119.950 0.172 0.000 2.546 883 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 883 F C 1.285 177.025 175.800 -0.101 0.000 1.120 883 F CA 1.032 59.008 58.000 -0.040 0.000 1.456 883 F CB -0.338 38.521 39.000 -0.234 0.000 1.088 883 F HN 0.193 nan 8.300 nan 0.000 0.572 884 H N -1.987 117.300 119.070 0.362 0.000 2.637 884 H HA 0.190 4.746 4.556 -0.001 0.000 0.245 884 H C 1.538 176.939 175.328 0.121 0.000 1.190 884 H CA -0.051 56.126 56.048 0.214 0.000 0.934 884 H CB -0.341 29.427 29.762 0.010 0.000 1.950 884 H HN 0.188 nan 8.280 nan 0.000 0.614 885 M N -0.622 119.128 119.600 0.250 0.000 2.492 885 M HA 0.041 4.521 4.480 -0.001 0.000 0.262 885 M C 0.639 177.019 176.300 0.133 0.000 1.090 885 M CA 1.206 56.630 55.300 0.206 0.000 1.110 885 M CB 0.195 32.966 32.600 0.285 0.000 1.407 885 M HN 0.041 nan 8.290 nan 0.000 0.470 886 D N -0.395 120.024 120.400 0.031 0.000 2.350 886 D HA -0.023 4.617 4.640 -0.001 0.000 0.213 886 D C 0.904 177.200 176.300 -0.007 0.000 1.031 886 D CA 0.072 54.082 54.000 0.017 0.000 0.861 886 D CB -0.506 40.256 40.800 -0.062 0.000 0.926 886 D HN 0.514 nan 8.370 nan 0.000 0.520 887 N N 1.560 120.250 118.700 -0.017 0.000 1.154 887 N HA -0.389 4.350 4.740 -0.001 0.000 0.135 887 N C 0.593 175.976 175.510 -0.211 0.000 0.562 887 N CA 3.112 56.081 53.050 -0.135 0.000 0.947 887 N CB -1.325 37.016 38.487 -0.244 0.000 1.354 887 N HN 0.337 nan 8.380 nan 0.000 0.505 888 A N -0.128 122.247 122.820 -0.742 0.000 2.460 888 A HA 0.367 4.687 4.320 -0.001 0.000 0.258 888 A C -0.607 176.565 177.584 -0.687 0.000 1.300 888 A CA -0.186 51.521 52.037 -0.550 0.000 0.913 888 A CB -0.242 18.480 19.000 -0.464 0.000 1.031 888 A HN 0.417 nan 8.150 nan 0.000 0.512 889 Y N -0.674 119.510 120.300 -0.193 0.000 2.409 889 Y HA 0.524 5.074 4.550 -0.001 0.000 0.343 889 Y C 0.186 175.505 175.900 -0.968 0.000 0.973 889 Y CA -1.480 56.308 58.100 -0.519 0.000 1.064 889 Y CB 1.241 39.576 38.460 -0.209 0.000 1.207 889 Y HN 0.043 nan 8.280 nan 0.000 0.452 890 K N 3.599 123.400 120.400 -0.999 0.000 2.383 890 K HA 0.377 4.697 4.320 -0.001 0.000 0.286 890 K C -1.238 175.193 176.600 -0.282 0.000 1.051 890 K CA 0.410 56.239 56.287 -0.764 0.000 0.974 890 K CB -0.051 32.173 32.500 -0.461 0.000 0.968 890 K HN 0.759 nan 8.250 nan 0.000 0.475 891 I N 8.888 129.354 120.570 -0.173 0.000 2.623 891 I HA 0.176 4.346 4.170 -0.001 0.000 0.275 891 I C -1.468 174.603 176.117 -0.076 0.000 1.108 891 I CA -1.997 59.245 61.300 -0.096 0.000 1.120 891 I CB 1.743 39.703 38.000 -0.066 0.000 1.249 891 I HN 0.662 nan 8.210 nan 0.000 0.500 892 P HA -0.202 nan 4.420 nan 0.000 0.219 892 P C -0.104 177.156 177.300 -0.066 0.000 1.153 892 P CA 1.601 64.667 63.100 -0.057 0.000 0.865 892 P CB 0.012 31.678 31.700 -0.057 0.000 0.788 893 N N -0.282 118.356 118.700 -0.103 0.000 2.573 893 N HA 0.515 5.255 4.740 -0.001 0.000 0.262 893 N C -0.662 174.750 175.510 -0.163 0.000 1.029 893 N CA -0.397 52.572 53.050 -0.135 0.000 0.882 893 N CB 1.516 39.889 38.487 -0.191 0.000 1.204 893 N HN 0.117 nan 8.380 nan 0.000 0.519 894 I N 0.504 121.016 120.570 -0.096 0.000 2.969 894 I HA 0.619 4.789 4.170 -0.001 0.000 0.307 894 I C -1.374 174.734 176.117 -0.015 0.000 1.149 894 I CA -1.011 60.245 61.300 -0.074 0.000 1.008 894 I CB 2.053 40.020 38.000 -0.055 0.000 1.232 894 I HN 0.401 nan 8.210 nan 0.000 0.435 895 R N 4.622 125.129 120.500 0.011 0.000 2.658 895 R HA 0.533 4.873 4.340 -0.001 0.000 0.287 895 R C -1.790 174.570 176.300 0.100 0.000 1.209 895 R CA -0.472 55.662 56.100 0.058 0.000 1.046 895 R CB 1.421 31.739 30.300 0.030 0.000 1.247 895 R HN 0.846 nan 8.270 nan 0.000 0.405 896 G N 1.431 110.322 108.800 0.152 0.000 2.481 896 G HA2 0.642 4.602 3.960 -0.001 0.000 0.315 896 G HA3 0.642 4.602 3.960 -0.001 0.000 0.315 896 G C -0.812 174.193 174.900 0.175 0.000 1.231 896 G CA -0.507 44.725 45.100 0.221 0.000 0.968 896 G HN 0.560 nan 8.290 nan 0.000 0.482 897 T N -1.979 112.686 114.554 0.185 0.000 2.896 897 T HA 0.817 5.166 4.350 -0.001 0.000 0.297 897 T C -0.166 174.546 174.700 0.020 0.000 1.108 897 T CA -0.452 61.677 62.100 0.049 0.000 1.004 897 T CB 2.135 70.984 68.868 -0.032 0.000 1.159 897 T HN 1.322 nan 8.240 nan 0.000 0.499 898 G N 0.290 108.996 108.800 -0.156 0.000 2.620 898 G HA2 0.677 4.637 3.960 -0.001 0.000 0.301 898 G HA3 0.677 4.637 3.960 -0.001 0.000 0.301 898 G C -1.612 173.044 174.900 -0.407 0.000 1.347 898 G CA -1.008 43.932 45.100 -0.266 0.000 0.971 898 G HN 0.733 nan 8.290 nan 0.000 0.488 899 R N 0.507 120.685 120.500 -0.537 0.000 2.564 899 R HA 0.632 4.972 4.340 -0.001 0.000 0.284 899 R C -1.437 174.669 176.300 -0.324 0.000 1.031 899 R CA -0.728 55.031 56.100 -0.567 0.000 0.904 899 R CB 1.422 31.145 30.300 -0.962 0.000 1.199 899 R HN 0.384 nan 8.270 nan 0.000 0.443 900 I N 3.420 123.911 120.570 -0.130 0.000 2.339 900 I HA 0.345 4.515 4.170 -0.001 0.000 0.290 900 I C -0.332 175.919 176.117 0.224 0.000 0.994 900 I CA -0.326 61.013 61.300 0.064 0.000 1.191 900 I CB 1.541 39.630 38.000 0.148 0.000 1.343 900 I HN 0.542 nan 8.210 nan 0.000 0.458 901 C N 5.477 124.914 119.300 0.229 0.000 2.514 901 C HA 0.242 4.701 4.460 -0.001 0.000 0.392 901 C C 0.808 175.773 174.990 -0.042 0.000 1.294 901 C CA -0.796 58.346 59.018 0.206 0.000 1.957 901 C CB -0.208 27.644 27.740 0.187 0.000 2.541 901 C HN 0.665 nan 8.230 nan 0.000 0.569 902 K N 3.098 123.305 120.400 -0.323 0.000 2.231 902 K HA 0.333 4.653 4.320 -0.001 0.000 0.275 902 K C 0.266 176.700 176.600 -0.277 0.000 1.105 902 K CA 0.154 56.062 56.287 -0.631 0.000 0.931 902 K CB 0.255 32.230 32.500 -0.875 0.000 1.296 902 K HN 0.922 nan 8.250 nan 0.000 0.446 903 T N 0.399 114.870 114.554 -0.137 0.000 2.924 903 T HA 0.293 4.643 4.350 -0.001 0.000 0.291 903 T C 0.008 174.659 174.700 -0.081 0.000 1.045 903 T CA -1.026 61.015 62.100 -0.098 0.000 1.015 903 T CB 1.133 69.958 68.868 -0.071 0.000 1.103 903 T HN 0.422 nan 8.240 nan 0.000 0.496 904 N N 1.199 119.853 118.700 -0.078 0.000 3.254 904 N HA 0.434 5.174 4.740 -0.001 0.000 0.308 904 N C -0.877 174.600 175.510 -0.054 0.000 1.281 904 N CA -0.036 52.967 53.050 -0.078 0.000 1.212 904 N CB -0.557 37.907 38.487 -0.038 0.000 1.478 904 N HN 0.445 nan 8.380 nan 0.000 0.548 905 L N -0.331 120.862 121.223 -0.050 0.000 2.359 905 L HA 0.589 4.929 4.340 -0.001 0.000 0.256 905 L C -2.346 174.528 176.870 0.007 0.000 1.026 905 L CA -2.619 52.205 54.840 -0.026 0.000 0.828 905 L CB 2.287 44.294 42.059 -0.087 0.000 1.406 905 L HN -0.055 nan 8.230 nan 0.000 0.413 906 P HA -0.041 nan 4.420 nan 0.000 0.260 906 P C -0.396 176.939 177.300 0.058 0.000 1.185 906 P CA 0.292 63.436 63.100 0.073 0.000 0.763 906 P CB 0.627 32.400 31.700 0.122 0.000 0.776 907 S N 4.221 119.954 115.700 0.055 0.000 2.558 907 S HA 0.007 4.476 4.470 -0.001 0.000 0.293 907 S C 0.354 174.994 174.600 0.066 0.000 1.292 907 S CA -0.073 58.165 58.200 0.064 0.000 1.063 907 S CB -0.481 62.765 63.200 0.078 0.000 0.831 907 S HN 0.260 nan 8.310 nan 0.000 0.499 908 N N 2.519 121.217 118.700 -0.003 0.000 2.489 908 N HA 0.542 5.282 4.740 -0.001 0.000 0.284 908 N C 0.236 175.878 175.510 0.221 0.000 1.158 908 N CA -0.408 52.626 53.050 -0.027 0.000 0.965 908 N CB 1.812 40.015 38.487 -0.474 0.000 1.195 908 N HN 0.810 nan 8.380 nan 0.000 0.506 909 T N -2.509 112.259 114.554 0.356 0.000 2.538 909 T HA 0.698 5.048 4.350 -0.001 0.000 0.237 909 T C -0.096 174.893 174.700 0.482 0.000 0.818 909 T CA -0.774 61.584 62.100 0.430 0.000 1.193 909 T CB -0.014 69.057 68.868 0.338 0.000 1.497 909 T HN 0.468 nan 8.240 nan 0.000 0.503 910 A N 0.219 123.338 122.820 0.498 0.000 2.386 910 A HA 0.678 4.998 4.320 -0.001 0.000 0.248 910 A C -0.839 177.128 177.584 0.639 0.000 1.082 910 A CA -0.452 51.956 52.037 0.619 0.000 0.789 910 A CB -0.472 18.909 19.000 0.635 0.000 1.025 910 A HN 0.776 nan 8.150 nan 0.000 0.490 911 F N 0.831 121.037 119.950 0.426 0.000 2.623 911 F HA 0.375 4.902 4.527 -0.001 0.000 0.323 911 F C 0.341 176.278 175.800 0.228 0.000 1.158 911 F CA -0.938 57.247 58.000 0.309 0.000 1.030 911 F CB 1.224 40.258 39.000 0.057 0.000 1.280 911 F HN 0.782 nan 8.300 nan 0.000 0.474 912 R N 3.735 124.628 120.500 0.655 0.000 3.752 912 R HA 0.081 4.420 4.340 -0.001 0.000 0.227 912 R C 0.927 177.383 176.300 0.260 0.000 0.592 912 R CA 2.153 58.485 56.100 0.386 0.000 0.981 912 R CB -0.530 29.987 30.300 0.362 0.000 0.973 912 R HN 1.108 nan 8.270 nan 0.000 0.330 913 G N 3.619 112.547 108.800 0.213 0.000 2.541 913 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.201 913 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.201 913 G C 0.109 175.244 174.900 0.392 0.000 1.026 913 G CA -0.186 45.047 45.100 0.221 0.000 0.687 913 G HN 0.738 nan 8.290 nan 0.000 0.492 914 F N 1.256 121.302 119.950 0.160 0.000 2.773 914 F HA 0.080 4.606 4.527 -0.001 0.000 0.251 914 F C 1.790 177.627 175.800 0.062 0.000 1.020 914 F CA 2.481 60.560 58.000 0.131 0.000 0.924 914 F CB -1.001 38.075 39.000 0.125 0.000 0.919 914 F HN 2.060 nan 8.300 nan 0.000 0.846 915 G N 0.538 109.296 108.800 -0.071 0.000 2.328 915 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.256 915 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.256 915 G C 1.600 176.393 174.900 -0.178 0.000 1.014 915 G CA 0.946 45.934 45.100 -0.187 0.000 0.620 915 G HN 1.657 nan 8.290 nan 0.000 0.530 916 G N 1.483 110.244 108.800 -0.065 0.000 2.440 916 G HA2 0.042 4.002 3.960 -0.001 0.000 0.218 916 G HA3 0.042 4.002 3.960 -0.001 0.000 0.218 916 G C 0.117 174.913 174.900 -0.173 0.000 1.154 916 G CA 1.968 46.969 45.100 -0.166 0.000 0.767 916 G HN 0.563 nan 8.290 nan 0.000 0.552 917 P HA -0.041 nan 4.420 nan 0.000 0.215 917 P C 1.820 179.041 177.300 -0.132 0.000 1.157 917 P CA 1.234 64.314 63.100 -0.032 0.000 0.863 917 P CB -0.008 31.744 31.700 0.088 0.000 0.787 918 Q N -0.589 119.046 119.800 -0.274 0.000 2.077 918 Q HA -0.121 4.218 4.340 -0.001 0.000 0.206 918 Q C 2.400 178.188 176.000 -0.352 0.000 0.989 918 Q CA 2.181 57.712 55.803 -0.453 0.000 0.853 918 Q CB -1.599 26.438 28.738 -1.168 0.000 0.907 918 Q HN 0.249 nan 8.270 nan 0.000 0.418 919 G N -0.357 108.245 108.800 -0.328 0.000 2.443 919 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.219 919 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.219 919 G C 1.281 176.114 174.900 -0.111 0.000 1.131 919 G CA 0.767 45.810 45.100 -0.096 0.000 0.775 919 G HN 0.228 nan 8.290 nan 0.000 0.547 920 M N -0.655 118.736 119.600 -0.348 0.000 2.394 920 M HA 0.219 4.699 4.480 -0.001 0.000 0.266 920 M C 2.286 178.352 176.300 -0.390 0.000 1.098 920 M CA 0.348 55.270 55.300 -0.630 0.000 1.149 920 M CB -0.064 31.627 32.600 -1.515 0.000 1.369 920 M HN 0.217 nan 8.290 nan 0.000 0.450 921 L N 1.027 122.166 121.223 -0.139 0.000 2.083 921 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 921 L C 2.063 178.964 176.870 0.051 0.000 1.083 921 L CA 1.793 56.704 54.840 0.118 0.000 0.752 921 L CB -0.356 41.631 42.059 -0.119 0.000 0.899 921 L HN 0.205 nan 8.230 nan 0.000 0.433 922 I N -0.804 119.749 120.570 -0.028 0.000 2.179 922 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 922 I C 2.595 178.610 176.117 -0.169 0.000 1.088 922 I CA 1.135 62.422 61.300 -0.022 0.000 1.357 922 I CB -0.674 37.370 38.000 0.073 0.000 1.051 922 I HN 0.339 nan 8.210 nan 0.000 0.409 923 A N 0.488 123.187 122.820 -0.202 0.000 1.865 923 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 923 A C 2.152 179.176 177.584 -0.934 0.000 1.191 923 A CA 1.695 53.390 52.037 -0.571 0.000 0.623 923 A CB -0.525 18.349 19.000 -0.210 0.000 0.826 923 A HN 0.338 nan 8.150 nan 0.000 0.444 924 E N -1.585 118.445 120.200 -0.284 0.000 2.409 924 E HA -0.114 4.236 4.350 -0.001 0.000 0.198 924 E C 1.454 177.831 176.600 -0.372 0.000 1.024 924 E CA 0.596 56.868 56.400 -0.213 0.000 0.861 924 E CB -0.318 29.586 29.700 0.341 0.000 0.788 924 E HN 0.805 nan 8.360 nan 0.000 0.521 925 Y N 0.960 121.102 120.300 -0.262 0.000 2.138 925 Y HA -0.171 4.379 4.550 -0.001 0.000 0.286 925 Y C 2.349 178.079 175.900 -0.284 0.000 1.115 925 Y CA 1.775 59.813 58.100 -0.103 0.000 1.105 925 Y CB -0.642 37.821 38.460 0.005 0.000 1.004 925 Y HN 0.179 nan 8.280 nan 0.000 0.494 926 W N -0.512 120.634 121.300 -0.257 0.000 2.364 926 W HA -0.238 4.421 4.660 -0.000 0.000 0.281 926 W C 1.757 178.084 176.519 -0.320 0.000 1.219 926 W CA 1.182 58.326 57.345 -0.335 0.000 1.220 926 W CB -1.143 28.097 29.460 -0.366 0.000 1.127 926 W HN 0.259 nan 8.180 nan 0.000 0.556 927 M N 3.499 122.808 119.600 -0.486 0.000 2.117 927 M HA -0.199 4.281 4.480 -0.001 0.000 0.262 927 M C 2.569 178.629 176.300 -0.400 0.000 1.065 927 M CA 2.898 57.913 55.300 -0.475 0.000 1.114 927 M CB -0.981 31.119 32.600 -0.833 0.000 1.361 927 M HN 0.094 nan 8.290 nan 0.000 0.408 928 S N -0.600 114.781 115.700 -0.532 0.000 2.368 928 S HA -0.168 4.302 4.470 -0.001 0.000 0.225 928 S C 1.801 176.209 174.600 -0.319 0.000 1.030 928 S CA 1.558 59.460 58.200 -0.497 0.000 0.999 928 S CB -1.012 61.745 63.200 -0.738 0.000 0.844 928 S HN 0.702 nan 8.310 nan 0.000 0.459 929 E N 0.567 120.591 120.200 -0.294 0.000 2.338 929 E HA -0.002 4.347 4.350 -0.001 0.000 0.197 929 E C 1.893 178.409 176.600 -0.140 0.000 1.007 929 E CA 0.711 57.016 56.400 -0.158 0.000 0.849 929 E CB -0.191 29.465 29.700 -0.074 0.000 0.774 929 E HN 0.423 nan 8.360 nan 0.000 0.506 930 V N 1.055 120.796 119.914 -0.290 0.000 2.346 930 V HA -0.188 3.932 4.120 -0.001 0.000 0.244 930 V C 2.300 178.247 176.094 -0.245 0.000 1.037 930 V CA 1.687 63.622 62.300 -0.609 0.000 1.029 930 V CB -0.423 30.948 31.823 -0.753 0.000 0.663 930 V HN 0.288 nan 8.190 nan 0.000 0.454 931 A N 0.018 122.725 122.820 -0.188 0.000 1.883 931 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 931 A C 2.177 179.745 177.584 -0.027 0.000 1.186 931 A CA 2.063 54.044 52.037 -0.094 0.000 0.624 931 A CB -0.556 18.378 19.000 -0.110 0.000 0.822 931 A HN 0.483 nan 8.150 nan 0.000 0.444 932 I N -0.645 119.905 120.570 -0.033 0.000 2.113 932 I HA -0.247 3.922 4.170 -0.001 0.000 0.238 932 I C 2.650 178.804 176.117 0.063 0.000 1.070 932 I CA 1.933 63.241 61.300 0.015 0.000 1.332 932 I CB -0.858 37.150 38.000 0.013 0.000 1.044 932 I HN 0.274 nan 8.210 nan 0.000 0.402 933 T N -0.037 114.581 114.554 0.106 0.000 2.737 933 T HA -0.239 4.110 4.350 -0.001 0.000 0.269 933 T C 1.809 176.614 174.700 0.175 0.000 1.040 933 T CA 1.510 63.716 62.100 0.178 0.000 1.142 933 T CB -0.469 68.605 68.868 0.344 0.000 0.861 933 T HN 0.432 nan 8.240 nan 0.000 0.456 934 C N 0.571 119.987 119.300 0.193 0.000 2.539 934 C HA 0.402 4.861 4.460 -0.001 0.000 0.268 934 C C 2.387 177.427 174.990 0.083 0.000 1.395 934 C CA -0.117 58.993 59.018 0.155 0.000 1.757 934 C CB -1.400 26.443 27.740 0.171 0.000 1.851 934 C HN 0.853 nan 8.230 nan 0.000 0.545 935 G N 0.547 109.386 108.800 0.065 0.000 2.189 935 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.267 935 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.267 935 G C 0.110 175.031 174.900 0.035 0.000 0.975 935 G CA 0.444 45.570 45.100 0.043 0.000 0.644 935 G HN 0.520 nan 8.290 nan 0.000 0.537 936 L N 0.853 122.098 121.223 0.036 0.000 2.439 936 L HA 0.517 4.856 4.340 -0.001 0.000 0.259 936 L C -1.768 175.118 176.870 0.027 0.000 1.129 936 L CA -2.235 52.624 54.840 0.032 0.000 0.803 936 L CB 0.665 42.744 42.059 0.033 0.000 1.161 936 L HN -0.121 nan 8.230 nan 0.000 0.462 937 P HA 0.115 nan 4.420 nan 0.000 0.276 937 P C -0.068 177.272 177.300 0.067 0.000 1.235 937 P CA -0.237 62.896 63.100 0.054 0.000 0.772 937 P CB 1.280 33.021 31.700 0.068 0.000 0.871 938 A N 4.146 127.003 122.820 0.061 0.000 1.915 938 A HA -0.302 4.017 4.320 -0.001 0.000 0.220 938 A C 2.106 179.757 177.584 0.112 0.000 1.198 938 A CA 2.462 54.523 52.037 0.039 0.000 0.647 938 A CB -1.325 17.689 19.000 0.023 0.000 0.825 938 A HN 0.645 nan 8.150 nan 0.000 0.456 939 E N 0.544 120.880 120.200 0.226 0.000 2.097 939 E HA -0.250 4.100 4.350 -0.001 0.000 0.196 939 E C 1.647 178.435 176.600 0.313 0.000 1.000 939 E CA 2.156 58.772 56.400 0.361 0.000 0.804 939 E CB -0.618 29.320 29.700 0.398 0.000 0.740 939 E HN 0.740 nan 8.360 nan 0.000 0.454 940 E N 0.031 120.345 120.200 0.190 0.000 2.107 940 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 940 E C 2.211 178.831 176.600 0.033 0.000 0.982 940 E CA 1.258 57.728 56.400 0.118 0.000 0.809 940 E CB 0.045 29.799 29.700 0.090 0.000 0.756 940 E HN 0.217 nan 8.360 nan 0.000 0.459 941 V N 1.088 121.001 119.914 -0.002 0.000 2.515 941 V HA -0.232 3.888 4.120 -0.001 0.000 0.250 941 V C 2.188 178.174 176.094 -0.181 0.000 1.058 941 V CA 1.666 63.917 62.300 -0.083 0.000 1.064 941 V CB -0.463 31.294 31.823 -0.111 0.000 0.675 941 V HN 0.132 nan 8.190 nan 0.000 0.461 942 R N -0.126 120.274 120.500 -0.166 0.000 2.055 942 R HA -0.040 4.300 4.340 -0.001 0.000 0.228 942 R C 2.626 178.757 176.300 -0.283 0.000 1.143 942 R CA 1.367 57.291 56.100 -0.293 0.000 0.945 942 R CB -0.448 29.778 30.300 -0.123 0.000 0.841 942 R HN 0.318 nan 8.270 nan 0.000 0.429 943 R N 1.353 121.698 120.500 -0.259 0.000 2.154 943 R HA -0.204 4.136 4.340 -0.001 0.000 0.248 943 R C 1.633 177.837 176.300 -0.161 0.000 1.155 943 R CA 1.739 57.653 56.100 -0.310 0.000 0.979 943 R CB -0.007 30.241 30.300 -0.086 0.000 0.869 943 R HN 0.154 nan 8.270 nan 0.000 0.452 944 K N -0.127 120.209 120.400 -0.108 0.000 2.001 944 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 944 K C 1.690 178.235 176.600 -0.090 0.000 1.048 944 K CA 1.491 57.733 56.287 -0.076 0.000 0.932 944 K CB -0.120 32.346 32.500 -0.056 0.000 0.715 944 K HN 0.290 nan 8.250 nan 0.000 0.437 945 N N 0.720 119.340 118.700 -0.133 0.000 2.515 945 N HA -0.044 4.695 4.740 -0.001 0.000 0.185 945 N C 0.689 176.190 175.510 -0.015 0.000 1.109 945 N CA 0.189 53.171 53.050 -0.114 0.000 0.903 945 N CB 0.089 38.446 38.487 -0.216 0.000 0.969 945 N HN 0.247 nan 8.380 nan 0.000 0.450 946 M N 0.907 120.522 119.600 0.026 0.000 2.252 946 M HA -0.044 4.436 4.480 -0.001 0.000 0.333 946 M C -0.179 176.087 176.300 -0.057 0.000 1.111 946 M CA -0.018 55.316 55.300 0.057 0.000 1.140 946 M CB 0.477 33.037 32.600 -0.066 0.000 1.538 946 M HN -0.009 nan 8.290 nan 0.000 0.448 947 Y N 3.168 123.417 120.300 -0.085 0.000 2.394 947 Y HA 0.059 4.609 4.550 -0.001 0.000 0.351 947 Y C 0.104 175.826 175.900 -0.297 0.000 1.272 947 Y CA 0.519 58.449 58.100 -0.284 0.000 1.508 947 Y CB 0.537 38.640 38.460 -0.595 0.000 1.369 947 Y HN 0.511 nan 8.280 nan 0.000 0.639 948 K N 0.467 120.759 120.400 -0.181 0.000 2.385 948 K HA 0.204 4.524 4.320 -0.001 0.000 0.248 948 K C -1.157 175.271 176.600 -0.286 0.000 0.955 948 K CA -1.233 54.972 56.287 -0.137 0.000 0.816 948 K CB 1.682 34.152 32.500 -0.050 0.000 1.250 948 K HN 0.419 nan 8.250 nan 0.000 0.434 949 E N 0.841 121.007 120.200 -0.058 0.000 2.603 949 E HA 0.012 4.361 4.350 -0.001 0.000 0.242 949 E C 0.582 177.141 176.600 -0.069 0.000 1.083 949 E CA 1.577 57.972 56.400 -0.009 0.000 0.950 949 E CB -0.541 29.234 29.700 0.125 0.000 0.952 949 E HN 0.725 nan 8.360 nan 0.000 0.498 950 G N 3.942 112.663 108.800 -0.131 0.000 2.192 950 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.193 950 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.193 950 G C -0.327 174.501 174.900 -0.119 0.000 0.999 950 G CA -0.121 44.926 45.100 -0.089 0.000 0.659 950 G HN 0.589 nan 8.290 nan 0.000 0.503 951 D N 0.723 121.009 120.400 -0.190 0.000 2.329 951 D HA 0.557 5.197 4.640 -0.001 0.000 0.246 951 D C 1.137 177.313 176.300 -0.208 0.000 1.111 951 D CA -0.061 53.855 54.000 -0.139 0.000 0.941 951 D CB 1.115 41.898 40.800 -0.028 0.000 1.169 951 D HN 0.298 nan 8.370 nan 0.000 0.441 952 L N 0.627 121.773 121.223 -0.128 0.000 2.379 952 L HA 0.339 4.679 4.340 -0.001 0.000 0.269 952 L C 1.337 178.083 176.870 -0.205 0.000 1.084 952 L CA -0.689 54.045 54.840 -0.175 0.000 0.802 952 L CB 1.110 43.113 42.059 -0.093 0.000 1.175 952 L HN 0.448 nan 8.230 nan 0.000 0.448 953 T N -3.499 110.798 114.554 -0.429 0.000 2.852 953 T HA 0.137 4.487 4.350 -0.001 0.000 0.281 953 T C 1.275 175.802 174.700 -0.289 0.000 0.993 953 T CA -0.444 61.373 62.100 -0.471 0.000 0.933 953 T CB 0.626 68.751 68.868 -1.239 0.000 1.187 953 T HN 0.720 nan 8.240 nan 0.000 0.559 954 H N 0.125 119.020 119.070 -0.293 0.000 2.521 954 H HA 0.019 4.575 4.556 -0.001 0.000 0.286 954 H C 1.073 176.374 175.328 -0.044 0.000 1.034 954 H CA 0.793 56.782 56.048 -0.098 0.000 1.278 954 H CB -0.850 28.926 29.762 0.023 0.000 1.386 954 H HN 0.724 nan 8.280 nan 0.000 0.567 955 F N 0.152 119.932 119.950 -0.283 0.000 2.639 955 F HA 0.413 4.940 4.527 -0.001 0.000 0.300 955 F C 0.122 175.907 175.800 -0.025 0.000 1.109 955 F CA -1.175 56.706 58.000 -0.198 0.000 1.335 955 F CB -0.273 38.452 39.000 -0.459 0.000 1.014 955 F HN -0.138 nan 8.300 nan 0.000 0.537 956 N N 1.147 119.775 118.700 -0.121 0.000 2.741 956 N HA -0.266 4.474 4.740 -0.001 0.000 0.250 956 N C -0.163 175.343 175.510 -0.005 0.000 1.115 956 N CA 0.966 53.995 53.050 -0.035 0.000 0.724 956 N CB -1.109 37.423 38.487 0.075 0.000 1.090 956 N HN 0.742 nan 8.380 nan 0.000 0.558 957 Q N 1.056 120.800 119.800 -0.094 0.000 2.303 957 Q HA 0.241 4.581 4.340 -0.001 0.000 0.257 957 Q C 0.070 176.047 176.000 -0.038 0.000 0.941 957 Q CA -0.476 55.380 55.803 0.089 0.000 0.931 957 Q CB 0.977 29.981 28.738 0.444 0.000 1.215 957 Q HN 0.127 nan 8.270 nan 0.000 0.437 958 K N 4.002 124.410 120.400 0.013 0.000 2.448 958 K HA 0.060 4.380 4.320 -0.001 0.000 0.278 958 K C -0.760 175.826 176.600 -0.023 0.000 1.009 958 K CA 0.026 56.291 56.287 -0.036 0.000 0.995 958 K CB 0.417 32.922 32.500 0.008 0.000 0.917 958 K HN 0.645 nan 8.250 nan 0.000 0.481 959 L N 5.505 126.630 121.223 -0.162 0.000 2.397 959 L HA 0.204 4.544 4.340 -0.001 0.000 0.263 959 L C -0.080 176.783 176.870 -0.011 0.000 1.136 959 L CA -0.311 54.425 54.840 -0.172 0.000 1.019 959 L CB 0.483 42.196 42.059 -0.576 0.000 1.352 959 L HN 0.697 nan 8.230 nan 0.000 0.420 960 E N 1.143 121.414 120.200 0.119 0.000 2.314 960 E HA 0.347 4.697 4.350 -0.001 0.000 0.262 960 E C 0.884 177.617 176.600 0.221 0.000 1.093 960 E CA -0.206 56.275 56.400 0.135 0.000 0.908 960 E CB 0.964 30.729 29.700 0.108 0.000 1.091 960 E HN 0.598 nan 8.360 nan 0.000 0.425 961 G N 1.686 110.597 108.800 0.184 0.000 2.356 961 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.296 961 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.296 961 G C -0.249 174.835 174.900 0.306 0.000 1.022 961 G CA 0.138 45.358 45.100 0.199 0.000 0.961 961 G HN 0.362 nan 8.290 nan 0.000 0.510 962 F N 0.424 120.426 119.950 0.087 0.000 2.578 962 F HA 0.495 5.021 4.527 -0.000 0.000 0.376 962 F C 1.345 177.122 175.800 -0.037 0.000 1.085 962 F CA 0.895 58.889 58.000 -0.011 0.000 1.260 962 F CB 1.539 40.469 39.000 -0.118 0.000 1.095 962 F HN -0.016 nan 8.300 nan 0.000 0.573 963 T N 5.956 120.154 114.554 -0.593 0.000 3.087 963 T HA 0.048 4.397 4.350 -0.001 0.000 0.283 963 T C 1.552 175.912 174.700 -0.566 0.000 0.956 963 T CA -0.088 61.792 62.100 -0.367 0.000 0.894 963 T CB -0.219 68.660 68.868 0.018 0.000 1.160 963 T HN 0.488 nan 8.240 nan 0.000 0.532 964 L N 2.834 123.300 121.223 -1.262 0.000 2.042 964 L HA 0.124 4.464 4.340 -0.001 0.000 0.210 964 L C -1.146 175.501 176.870 -0.372 0.000 1.076 964 L CA 2.194 56.546 54.840 -0.813 0.000 0.749 964 L CB -1.096 40.315 42.059 -1.080 0.000 0.893 964 L HN 0.143 nan 8.230 nan 0.000 0.432 965 P HA -0.194 nan 4.420 nan 0.000 0.216 965 P C 1.489 178.812 177.300 0.039 0.000 1.153 965 P CA 1.784 64.829 63.100 -0.091 0.000 0.858 965 P CB -0.059 31.598 31.700 -0.072 0.000 0.789 966 R N -1.490 118.996 120.500 -0.025 0.000 2.090 966 R HA -0.050 4.289 4.340 -0.001 0.000 0.228 966 R C 2.304 178.631 176.300 0.046 0.000 1.110 966 R CA 1.304 57.416 56.100 0.021 0.000 0.973 966 R CB -1.175 29.125 30.300 0.001 0.000 0.869 966 R HN 0.249 nan 8.270 nan 0.000 0.440 967 C N -0.296 119.028 119.300 0.041 0.000 2.425 967 C HA -0.125 4.335 4.460 -0.001 0.000 0.277 967 C C 2.335 177.389 174.990 0.107 0.000 1.280 967 C CA 0.086 59.146 59.018 0.070 0.000 1.744 967 C CB -0.960 26.831 27.740 0.085 0.000 1.989 967 C HN 0.657 nan 8.230 nan 0.000 0.491 968 W N 1.985 123.251 121.300 -0.057 0.000 2.380 968 W HA -0.106 4.554 4.660 -0.000 0.000 0.317 968 W C 1.762 178.261 176.519 -0.034 0.000 1.196 968 W CA 1.659 58.977 57.345 -0.046 0.000 1.307 968 W CB -0.549 28.886 29.460 -0.042 0.000 1.157 968 W HN 0.333 nan 8.180 nan 0.000 0.483 969 D N 0.149 120.652 120.400 0.171 0.000 2.218 969 D HA -0.156 4.484 4.640 -0.001 0.000 0.204 969 D C 1.848 178.143 176.300 -0.009 0.000 0.976 969 D CA 1.397 55.437 54.000 0.066 0.000 0.853 969 D CB -0.370 40.495 40.800 0.109 0.000 0.939 969 D HN 0.434 nan 8.370 nan 0.000 0.481 970 E N -0.459 119.736 120.200 -0.008 0.000 2.190 970 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 970 E C 1.978 178.544 176.600 -0.057 0.000 0.978 970 E CA 0.087 56.475 56.400 -0.020 0.000 0.839 970 E CB 0.079 29.778 29.700 -0.001 0.000 0.787 970 E HN 0.192 nan 8.360 nan 0.000 0.473 971 C N 1.443 120.683 119.300 -0.100 0.000 2.453 971 C HA -0.086 4.374 4.460 -0.001 0.000 0.277 971 C C 2.736 177.607 174.990 -0.198 0.000 1.262 971 C CA 0.713 59.641 59.018 -0.150 0.000 1.718 971 C CB -0.985 26.633 27.740 -0.203 0.000 2.031 971 C HN 0.499 nan 8.230 nan 0.000 0.480 972 I N 1.284 121.680 120.570 -0.290 0.000 2.163 972 I HA -0.062 4.108 4.170 -0.001 0.000 0.243 972 I C 2.591 178.667 176.117 -0.068 0.000 1.085 972 I CA 2.174 63.340 61.300 -0.224 0.000 1.347 972 I CB -1.289 36.565 38.000 -0.244 0.000 1.044 972 I HN 0.277 nan 8.210 nan 0.000 0.408 973 A N 2.236 125.021 122.820 -0.058 0.000 1.845 973 A HA -0.215 4.105 4.320 -0.001 0.000 0.215 973 A C 2.603 180.176 177.584 -0.017 0.000 1.195 973 A CA 2.915 54.940 52.037 -0.021 0.000 0.616 973 A CB -1.210 17.782 19.000 -0.014 0.000 0.832 973 A HN 0.700 nan 8.150 nan 0.000 0.443 974 S N 0.214 115.898 115.700 -0.027 0.000 2.402 974 S HA -0.126 4.344 4.470 -0.001 0.000 0.229 974 S C 1.917 176.509 174.600 -0.015 0.000 1.021 974 S CA 1.599 59.788 58.200 -0.019 0.000 0.974 974 S CB -0.793 62.395 63.200 -0.020 0.000 0.800 974 S HN 0.934 nan 8.310 nan 0.000 0.484 975 S N 0.620 116.306 115.700 -0.024 0.000 2.603 975 S HA 0.130 4.600 4.470 -0.001 0.000 0.220 975 S C 0.519 175.133 174.600 0.023 0.000 0.967 975 S CA 0.045 58.240 58.200 -0.009 0.000 0.920 975 S CB -0.817 62.364 63.200 -0.032 0.000 0.773 975 S HN 0.578 nan 8.310 nan 0.000 0.529 976 Q N -0.118 119.696 119.800 0.023 0.000 2.439 976 Q HA -0.270 4.070 4.340 -0.001 0.000 0.325 976 Q C 0.154 176.193 176.000 0.064 0.000 1.372 976 Q CA 0.558 56.381 55.803 0.032 0.000 0.909 976 Q CB -1.936 26.810 28.738 0.013 0.000 1.167 976 Q HN 0.728 nan 8.270 nan 0.000 0.418 977 Y N 0.644 120.901 120.300 -0.072 0.000 1.979 977 Y HA -0.329 4.221 4.550 -0.000 0.000 0.262 977 Y C 1.820 177.692 175.900 -0.048 0.000 1.142 977 Y CA 2.609 60.663 58.100 -0.076 0.000 1.096 977 Y CB -0.579 37.807 38.460 -0.123 0.000 0.958 977 Y HN 0.412 nan 8.280 nan 0.000 0.484 978 L N -0.082 121.048 121.223 -0.155 0.000 1.997 978 L HA -0.397 3.942 4.340 -0.001 0.000 0.227 978 L C 2.755 179.523 176.870 -0.171 0.000 1.087 978 L CA 1.886 56.590 54.840 -0.226 0.000 0.797 978 L CB -1.507 40.509 42.059 -0.071 0.000 0.902 978 L HN 0.409 nan 8.230 nan 0.000 0.441 979 A N -0.221 122.549 122.820 -0.083 0.000 1.917 979 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 979 A C 2.373 179.917 177.584 -0.067 0.000 1.182 979 A CA 1.997 54.000 52.037 -0.057 0.000 0.633 979 A CB -0.598 18.387 19.000 -0.027 0.000 0.819 979 A HN 0.404 nan 8.150 nan 0.000 0.448 980 R N -1.109 119.346 120.500 -0.074 0.000 2.148 980 R HA -0.028 4.312 4.340 -0.001 0.000 0.223 980 R C 1.952 178.190 176.300 -0.104 0.000 1.088 980 R CA 0.813 56.876 56.100 -0.061 0.000 0.985 980 R CB -0.172 30.115 30.300 -0.022 0.000 0.880 980 R HN 0.279 nan 8.270 nan 0.000 0.451 981 K N 1.032 121.302 120.400 -0.217 0.000 2.063 981 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 981 K C 2.035 178.561 176.600 -0.123 0.000 1.048 981 K CA 1.325 57.460 56.287 -0.253 0.000 0.928 981 K CB -0.066 32.173 32.500 -0.435 0.000 0.713 981 K HN 0.189 nan 8.250 nan 0.000 0.442 982 R N 0.531 120.972 120.500 -0.099 0.000 2.061 982 R HA -0.090 4.250 4.340 -0.001 0.000 0.230 982 R C 2.013 178.305 176.300 -0.013 0.000 1.140 982 R CA 0.766 56.837 56.100 -0.049 0.000 0.940 982 R CB -0.529 29.746 30.300 -0.042 0.000 0.839 982 R HN 0.136 nan 8.270 nan 0.000 0.429 983 E N 0.993 121.188 120.200 -0.008 0.000 2.233 983 E HA -0.136 4.214 4.350 -0.001 0.000 0.199 983 E C 1.982 178.622 176.600 0.067 0.000 1.004 983 E CA 0.818 57.235 56.400 0.028 0.000 0.819 983 E CB -0.100 29.611 29.700 0.018 0.000 0.738 983 E HN 0.097 nan 8.360 nan 0.000 0.478 984 V N 0.670 120.606 119.914 0.038 0.000 2.407 984 V HA -0.187 3.933 4.120 -0.001 0.000 0.245 984 V C 2.126 178.288 176.094 0.113 0.000 1.041 984 V CA 1.617 63.960 62.300 0.072 0.000 1.040 984 V CB -0.309 31.526 31.823 0.019 0.000 0.671 984 V HN 0.253 nan 8.190 nan 0.000 0.455 985 E N 0.261 120.493 120.200 0.053 0.000 2.051 985 E HA -0.296 4.054 4.350 -0.001 0.000 0.192 985 E C 2.235 178.865 176.600 0.049 0.000 0.991 985 E CA 1.503 57.928 56.400 0.041 0.000 0.799 985 E CB -0.197 29.508 29.700 0.008 0.000 0.748 985 E HN 0.508 nan 8.360 nan 0.000 0.449 986 K N 0.658 121.088 120.400 0.051 0.000 2.044 986 K HA -0.221 4.099 4.320 -0.001 0.000 0.210 986 K C 2.057 178.680 176.600 0.039 0.000 1.049 986 K CA 1.483 57.792 56.287 0.038 0.000 0.927 986 K CB -0.292 32.234 32.500 0.043 0.000 0.713 986 K HN 0.055 nan 8.250 nan 0.000 0.443 987 F N 2.100 122.047 119.950 -0.005 0.000 2.161 987 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 987 F C 1.806 177.606 175.800 -0.000 0.000 1.089 987 F CA 1.578 59.579 58.000 0.001 0.000 1.282 987 F CB -0.191 38.812 39.000 0.004 0.000 1.010 987 F HN 0.163 nan 8.300 nan 0.000 0.485 988 N N 0.439 119.183 118.700 0.074 0.000 2.270 988 N HA -0.106 4.633 4.740 -0.001 0.000 0.181 988 N C 1.915 177.367 175.510 -0.098 0.000 1.016 988 N CA 0.973 54.026 53.050 0.004 0.000 0.870 988 N CB -0.303 38.228 38.487 0.074 0.000 0.979 988 N HN 0.377 nan 8.380 nan 0.000 0.431 989 R N 1.020 121.472 120.500 -0.080 0.000 2.115 989 R HA -0.005 4.334 4.340 -0.001 0.000 0.230 989 R C 1.278 177.511 176.300 -0.112 0.000 1.111 989 R CA 0.948 57.002 56.100 -0.077 0.000 0.976 989 R CB 0.054 30.326 30.300 -0.046 0.000 0.870 989 R HN 0.396 nan 8.270 nan 0.000 0.445 990 E N -0.088 120.003 120.200 -0.181 0.000 2.489 990 E HA 0.073 4.423 4.350 -0.001 0.000 0.193 990 E C -0.300 176.141 176.600 -0.265 0.000 1.057 990 E CA 0.109 56.392 56.400 -0.196 0.000 0.866 990 E CB 0.256 29.834 29.700 -0.204 0.000 0.916 990 E HN 0.223 nan 8.360 nan 0.000 0.500 991 N N 0.750 119.249 118.700 -0.335 0.000 2.371 991 N HA 0.145 4.884 4.740 -0.001 0.000 0.291 991 N C 0.121 175.494 175.510 -0.229 0.000 1.053 991 N CA -0.262 52.602 53.050 -0.310 0.000 0.870 991 N CB 2.340 40.477 38.487 -0.583 0.000 1.503 991 N HN -0.069 nan 8.380 nan 0.000 0.485 992 R N 1.924 122.261 120.500 -0.272 0.000 2.074 992 R HA 0.170 4.509 4.340 -0.001 0.000 0.218 992 R C 0.343 176.232 176.300 -0.685 0.000 1.137 992 R CA 1.233 56.981 56.100 -0.587 0.000 0.998 992 R CB -0.181 29.557 30.300 -0.937 0.000 0.895 992 R HN 0.664 nan 8.270 nan 0.000 0.442 993 W N 1.695 122.953 121.300 -0.069 0.000 3.269 993 W HA 0.460 5.120 4.660 -0.001 0.000 0.413 993 W C -0.452 176.101 176.519 0.058 0.000 1.057 993 W CA -0.502 56.837 57.345 -0.010 0.000 1.953 993 W CB 0.650 30.096 29.460 -0.022 0.000 1.053 993 W HN -0.298 nan 8.180 nan 0.000 0.753 994 K N 1.709 122.224 120.400 0.192 0.000 2.656 994 K HA 0.249 4.569 4.320 -0.001 0.000 0.253 994 K C -0.593 176.192 176.600 0.309 0.000 1.002 994 K CA -0.574 55.875 56.287 0.269 0.000 0.880 994 K CB 1.937 34.641 32.500 0.340 0.000 1.232 994 K HN -0.211 nan 8.250 nan 0.000 0.456 995 K N 2.196 122.749 120.400 0.256 0.000 2.328 995 K HA 0.536 4.856 4.320 -0.001 0.000 0.246 995 K C -0.142 176.569 176.600 0.186 0.000 0.955 995 K CA -0.808 55.620 56.287 0.237 0.000 0.817 995 K CB 2.516 35.084 32.500 0.114 0.000 1.208 995 K HN 0.437 nan 8.250 nan 0.000 0.432 996 R N -0.096 120.505 120.500 0.169 0.000 2.637 996 R HA 0.625 4.964 4.340 -0.001 0.000 0.291 996 R C -0.026 176.302 176.300 0.046 0.000 0.963 996 R CA -0.861 55.261 56.100 0.037 0.000 0.901 996 R CB 2.021 32.264 30.300 -0.094 0.000 1.160 996 R HN 0.771 nan 8.270 nan 0.000 0.457 997 G N 1.154 109.971 108.800 0.028 0.000 2.498 997 G HA2 0.636 4.595 3.960 -0.001 0.000 0.312 997 G HA3 0.636 4.595 3.960 -0.001 0.000 0.312 997 G C -1.756 173.173 174.900 0.049 0.000 1.230 997 G CA -0.460 44.666 45.100 0.043 0.000 0.968 997 G HN 0.377 nan 8.290 nan 0.000 0.481 998 L N 1.171 122.442 121.223 0.080 0.000 2.620 998 L HA 0.550 4.890 4.340 -0.001 0.000 0.261 998 L C -0.939 176.054 176.870 0.205 0.000 0.978 998 L CA -0.530 54.385 54.840 0.124 0.000 0.897 998 L CB 1.039 43.166 42.059 0.114 0.000 1.207 998 L HN 0.700 nan 8.230 nan 0.000 0.425 999 C N 5.339 124.732 119.300 0.155 0.000 2.493 999 C HA 0.714 5.173 4.460 -0.001 0.000 0.326 999 C C -0.344 174.658 174.990 0.021 0.000 1.200 999 C CA -0.791 58.308 59.018 0.136 0.000 1.739 999 C CB 1.088 28.921 27.740 0.155 0.000 2.300 999 C HN 0.844 nan 8.230 nan 0.000 0.500 1000 I N 7.051 127.556 120.570 -0.110 0.000 2.389 1000 I HA 0.561 4.731 4.170 -0.001 0.000 0.288 1000 I C -1.125 174.994 176.117 0.003 0.000 0.999 1000 I CA -0.433 60.714 61.300 -0.255 0.000 1.129 1000 I CB 0.607 38.125 38.000 -0.804 0.000 1.288 1000 I HN 0.517 nan 8.210 nan 0.000 0.444 1001 I N 9.489 130.116 120.570 0.095 0.000 2.603 1001 I HA 0.611 4.780 4.170 -0.001 0.000 0.300 1001 I C -2.509 173.814 176.117 0.343 0.000 1.017 1001 I CA -2.220 59.225 61.300 0.242 0.000 1.098 1001 I CB 1.806 39.881 38.000 0.126 0.000 1.279 1001 I HN 0.404 nan 8.210 nan 0.000 0.437 1002 P HA 0.496 nan 4.420 nan 0.000 0.292 1002 P C -0.976 176.526 177.300 0.337 0.000 1.313 1002 P CA -0.493 62.836 63.100 0.381 0.000 0.965 1002 P CB 3.241 35.117 31.700 0.295 0.000 1.303 1003 T N -0.558 114.186 114.554 0.318 0.000 2.868 1003 T HA 0.472 4.822 4.350 -0.001 0.000 0.306 1003 T C -1.778 173.143 174.700 0.368 0.000 1.224 1003 T CA -0.618 61.702 62.100 0.367 0.000 1.012 1003 T CB 1.150 70.307 68.868 0.481 0.000 1.221 1003 T HN 0.484 nan 8.240 nan 0.000 0.499 1004 K N 3.247 123.864 120.400 0.360 0.000 2.637 1004 K HA 0.470 4.790 4.320 -0.001 0.000 0.248 1004 K C -2.041 174.787 176.600 0.381 0.000 0.971 1004 K CA -0.600 55.946 56.287 0.432 0.000 0.858 1004 K CB 0.981 33.694 32.500 0.355 0.000 1.170 1004 K HN 0.523 nan 8.250 nan 0.000 0.443 1005 F N 2.373 122.404 119.950 0.135 0.000 2.449 1005 F HA 0.480 5.006 4.527 -0.000 0.000 0.342 1005 F C 0.348 176.076 175.800 -0.119 0.000 1.127 1005 F CA -0.329 57.685 58.000 0.023 0.000 0.975 1005 F CB 1.665 40.620 39.000 -0.075 0.000 1.146 1005 F HN 0.622 nan 8.300 nan 0.000 0.444 1006 G N 6.768 115.208 108.800 -0.599 0.000 2.370 1006 G HA2 0.418 4.377 3.960 -0.001 0.000 0.272 1006 G HA3 0.418 4.377 3.960 -0.001 0.000 0.272 1006 G C -0.688 173.659 174.900 -0.922 0.000 1.208 1006 G CA -0.491 43.706 45.100 -1.505 0.000 0.856 1006 G HN 0.482 nan 8.290 nan 0.000 0.500 1007 I N 1.637 121.789 120.570 -0.697 0.000 2.315 1007 I HA 0.528 4.698 4.170 -0.001 0.000 0.291 1007 I C 0.341 176.374 176.117 -0.140 0.000 1.006 1007 I CA -0.016 61.037 61.300 -0.412 0.000 1.265 1007 I CB 0.189 37.645 38.000 -0.908 0.000 1.387 1007 I HN 0.464 nan 8.210 nan 0.000 0.475 1008 S N 4.475 120.149 115.700 -0.044 0.000 2.740 1008 S HA 0.189 4.659 4.470 -0.001 0.000 0.276 1008 S C -0.823 173.699 174.600 -0.128 0.000 0.811 1008 S CA -0.890 57.285 58.200 -0.042 0.000 1.076 1008 S CB 0.131 63.293 63.200 -0.064 0.000 1.350 1008 S HN 0.275 nan 8.310 nan 0.000 0.471 1009 F N 2.111 121.952 119.950 -0.182 0.000 2.418 1009 F HA 0.269 4.796 4.527 -0.000 0.000 0.341 1009 F C 2.312 177.947 175.800 -0.275 0.000 1.120 1009 F CA 0.530 58.399 58.000 -0.218 0.000 1.232 1009 F CB 0.774 39.635 39.000 -0.231 0.000 1.175 1009 F HN 0.800 nan 8.300 nan 0.000 0.569 1010 T N -0.397 114.127 114.554 -0.051 0.000 2.962 1010 T HA -0.074 4.276 4.350 -0.001 0.000 0.270 1010 T C 0.525 175.190 174.700 -0.058 0.000 1.088 1010 T CA 0.424 62.457 62.100 -0.111 0.000 1.127 1010 T CB -0.160 68.764 68.868 0.094 0.000 0.883 1010 T HN 0.214 nan 8.240 nan 0.000 0.493 1011 L N 3.389 124.577 121.223 -0.059 0.000 2.259 1011 L HA 0.450 4.789 4.340 -0.001 0.000 0.288 1011 L C -1.906 174.776 176.870 -0.314 0.000 1.051 1011 L CA -2.870 51.841 54.840 -0.215 0.000 0.824 1011 L CB 1.464 43.312 42.059 -0.352 0.000 1.206 1011 L HN -0.165 nan 8.230 nan 0.000 0.429 1012 P HA -0.275 nan 4.420 nan 0.000 0.217 1012 P C 1.370 178.580 177.300 -0.151 0.000 1.162 1012 P CA 1.880 64.887 63.100 -0.155 0.000 0.901 1012 P CB -0.166 31.491 31.700 -0.072 0.000 0.793 1013 F N -0.908 118.986 119.950 -0.093 0.000 2.408 1013 F HA -0.055 4.471 4.527 -0.000 0.000 0.300 1013 F C 1.546 177.228 175.800 -0.196 0.000 1.090 1013 F CA 0.847 58.777 58.000 -0.116 0.000 1.427 1013 F CB -1.929 37.024 39.000 -0.079 0.000 1.070 1013 F HN -0.172 nan 8.300 nan 0.000 0.549 1014 L N 0.777 121.721 121.223 -0.464 0.000 2.622 1014 L HA -0.037 4.302 4.340 -0.001 0.000 0.233 1014 L C 0.738 177.230 176.870 -0.630 0.000 1.156 1014 L CA 0.389 54.871 54.840 -0.597 0.000 0.866 1014 L CB -0.836 40.542 42.059 -1.136 0.000 0.980 1014 L HN 0.183 nan 8.230 nan 0.000 0.448 1015 N N 2.093 120.610 118.700 -0.306 0.000 3.250 1015 N HA 0.068 4.808 4.740 -0.001 0.000 0.307 1015 N C -0.476 174.907 175.510 -0.212 0.000 1.355 1015 N CA 0.111 53.063 53.050 -0.163 0.000 1.192 1015 N CB 0.340 38.776 38.487 -0.085 0.000 1.478 1015 N HN 0.521 nan 8.380 nan 0.000 0.543 1016 Q N -1.181 118.483 119.800 -0.226 0.000 2.359 1016 Q HA 0.743 5.083 4.340 -0.001 0.000 0.274 1016 Q C -0.806 175.022 176.000 -0.286 0.000 1.074 1016 Q CA -1.246 54.348 55.803 -0.348 0.000 0.810 1016 Q CB 2.141 30.735 28.738 -0.241 0.000 1.342 1016 Q HN 0.031 nan 8.270 nan 0.000 0.427 1017 G N 0.084 108.642 108.800 -0.403 0.000 2.620 1017 G HA2 0.768 4.728 3.960 -0.001 0.000 0.301 1017 G HA3 0.768 4.728 3.960 -0.001 0.000 0.301 1017 G C -1.202 173.588 174.900 -0.183 0.000 1.347 1017 G CA -0.677 44.315 45.100 -0.180 0.000 0.971 1017 G HN 0.739 nan 8.290 nan 0.000 0.488 1018 G N -0.988 107.835 108.800 0.038 0.000 2.620 1018 G HA2 0.875 4.835 3.960 -0.001 0.000 0.301 1018 G HA3 0.875 4.835 3.960 -0.001 0.000 0.301 1018 G C -0.785 174.195 174.900 0.134 0.000 1.347 1018 G CA 0.097 45.295 45.100 0.163 0.000 0.971 1018 G HN 1.361 nan 8.290 nan 0.000 0.488 1019 A N 0.380 123.274 122.820 0.124 0.000 2.469 1019 A HA 0.862 5.182 4.320 -0.001 0.000 0.299 1019 A C -1.710 175.896 177.584 0.035 0.000 1.098 1019 A CA -0.710 51.383 52.037 0.093 0.000 0.737 1019 A CB 2.158 21.219 19.000 0.101 0.000 1.312 1019 A HN 1.507 nan 8.150 nan 0.000 0.414 1020 L N 1.502 122.709 121.223 -0.027 0.000 2.404 1020 L HA 0.684 5.024 4.340 -0.001 0.000 0.272 1020 L C -1.331 175.400 176.870 -0.231 0.000 0.980 1020 L CA -0.288 54.477 54.840 -0.125 0.000 0.836 1020 L CB 1.739 43.707 42.059 -0.151 0.000 1.238 1020 L HN 0.491 nan 8.230 nan 0.000 0.408 1021 V N 4.010 123.787 119.914 -0.227 0.000 2.581 1021 V HA 0.639 4.758 4.120 -0.001 0.000 0.303 1021 V C -0.715 175.217 176.094 -0.269 0.000 1.041 1021 V CA -0.677 61.500 62.300 -0.204 0.000 0.907 1021 V CB 1.678 33.475 31.823 -0.044 0.000 0.994 1021 V HN 0.692 nan 8.190 nan 0.000 0.442 1022 H N 2.013 121.058 119.070 -0.041 0.000 2.667 1022 H HA 0.624 5.180 4.556 -0.001 0.000 0.353 1022 H C -1.077 174.139 175.328 -0.187 0.000 1.072 1022 H CA -0.690 55.243 56.048 -0.191 0.000 1.214 1022 H CB 2.203 31.761 29.762 -0.340 0.000 1.600 1022 H HN 0.419 nan 8.280 nan 0.000 0.527 1023 V N 4.770 124.623 119.914 -0.100 0.000 2.350 1023 V HA 0.227 4.346 4.120 -0.001 0.000 0.285 1023 V C -0.313 175.646 176.094 -0.225 0.000 1.014 1023 V CA -0.846 61.434 62.300 -0.035 0.000 0.831 1023 V CB 0.129 31.965 31.823 0.022 0.000 1.000 1023 V HN 0.561 nan 8.190 nan 0.000 0.433 1024 Y N 1.995 122.292 120.300 -0.005 0.000 2.295 1024 Y HA 0.216 4.766 4.550 -0.001 0.000 0.331 1024 Y C 2.208 178.020 175.900 -0.148 0.000 1.311 1024 Y CA 0.352 58.395 58.100 -0.095 0.000 1.430 1024 Y CB 0.783 39.199 38.460 -0.073 0.000 1.339 1024 Y HN 0.748 nan 8.280 nan 0.000 0.552 1025 T N -3.145 111.376 114.554 -0.055 0.000 2.977 1025 T HA -0.174 4.176 4.350 -0.001 0.000 0.271 1025 T C 0.871 175.530 174.700 -0.068 0.000 1.105 1025 T CA 1.357 63.366 62.100 -0.151 0.000 1.116 1025 T CB -0.380 68.318 68.868 -0.284 0.000 0.878 1025 T HN 0.730 nan 8.240 nan 0.000 0.509 1026 D N 0.514 120.911 120.400 -0.005 0.000 2.340 1026 D HA 0.252 4.892 4.640 -0.001 0.000 0.220 1026 D C 1.694 178.021 176.300 0.046 0.000 1.039 1026 D CA 0.601 54.604 54.000 0.005 0.000 0.866 1026 D CB -0.560 40.241 40.800 0.002 0.000 0.913 1026 D HN 0.580 nan 8.370 nan 0.000 0.523 1027 G N 0.537 109.367 108.800 0.050 0.000 2.317 1027 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.227 1027 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.227 1027 G C 0.512 175.645 174.900 0.389 0.000 1.042 1027 G CA 0.368 45.554 45.100 0.143 0.000 0.623 1027 G HN 0.932 nan 8.290 nan 0.000 0.509 1028 S N -0.036 115.824 115.700 0.267 0.000 2.558 1028 S HA 0.440 4.909 4.470 -0.001 0.000 0.287 1028 S C 0.130 174.933 174.600 0.338 0.000 1.321 1028 S CA 0.426 58.779 58.200 0.254 0.000 1.048 1028 S CB 1.755 65.036 63.200 0.135 0.000 0.844 1028 S HN 1.359 nan 8.310 nan 0.000 0.512 1029 V N 3.543 123.632 119.914 0.292 0.000 2.487 1029 V HA 0.481 4.600 4.120 -0.001 0.000 0.298 1029 V C -0.457 175.793 176.094 0.259 0.000 1.028 1029 V CA -0.843 61.627 62.300 0.285 0.000 0.860 1029 V CB 1.281 33.245 31.823 0.235 0.000 0.991 1029 V HN 0.888 nan 8.190 nan 0.000 0.427 1030 L N 6.249 127.655 121.223 0.304 0.000 2.276 1030 L HA 0.677 5.016 4.340 -0.001 0.000 0.286 1030 L C -0.763 176.178 176.870 0.118 0.000 1.024 1030 L CA -0.039 54.962 54.840 0.269 0.000 0.826 1030 L CB 1.104 43.422 42.059 0.430 0.000 1.211 1030 L HN 0.648 nan 8.230 nan 0.000 0.422 1031 L N 4.733 125.997 121.223 0.067 0.000 2.334 1031 L HA 0.850 5.190 4.340 -0.001 0.000 0.272 1031 L C -0.333 176.506 176.870 -0.051 0.000 1.020 1031 L CA 0.283 55.124 54.840 0.002 0.000 0.812 1031 L CB 2.169 44.251 42.059 0.038 0.000 1.264 1031 L HN 0.699 nan 8.230 nan 0.000 0.439 1032 T N 2.719 117.234 114.554 -0.065 0.000 2.885 1032 T HA 0.622 4.972 4.350 -0.001 0.000 0.322 1032 T C -1.669 172.992 174.700 -0.065 0.000 1.387 1032 T CA -0.444 61.563 62.100 -0.155 0.000 1.041 1032 T CB 0.545 69.326 68.868 -0.145 0.000 1.287 1032 T HN 0.939 nan 8.240 nan 0.000 0.491 1033 H N 0.094 119.164 119.070 0.001 0.000 2.990 1033 H HA 0.463 5.019 4.556 -0.001 0.000 0.343 1033 H C 0.974 176.323 175.328 0.035 0.000 1.270 1033 H CA -0.464 55.599 56.048 0.025 0.000 1.118 1033 H CB 1.183 30.971 29.762 0.044 0.000 1.861 1033 H HN 0.769 nan 8.280 nan 0.000 0.544 1034 G N 0.221 109.127 108.800 0.176 0.000 2.470 1034 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.220 1034 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.220 1034 G C 0.764 175.750 174.900 0.143 0.000 1.121 1034 G CA 0.478 45.641 45.100 0.105 0.000 0.766 1034 G HN 0.811 nan 8.290 nan 0.000 0.553 1035 G N 0.121 109.144 108.800 0.372 0.000 2.432 1035 G HA2 0.439 4.399 3.960 -0.001 0.000 0.257 1035 G HA3 0.439 4.399 3.960 -0.001 0.000 0.257 1035 G C 0.415 175.441 174.900 0.209 0.000 1.238 1035 G CA 0.453 45.724 45.100 0.286 0.000 0.838 1035 G HN 0.399 nan 8.290 nan 0.000 0.547 1036 T N -0.945 113.648 114.554 0.066 0.000 2.849 1036 T HA 0.591 4.941 4.350 -0.001 0.000 0.276 1036 T C -0.212 174.423 174.700 -0.108 0.000 0.971 1036 T CA -0.626 61.477 62.100 0.006 0.000 0.949 1036 T CB 1.887 70.738 68.868 -0.028 0.000 1.093 1036 T HN 0.514 nan 8.240 nan 0.000 0.545 1037 E N 0.277 120.401 120.200 -0.128 0.000 2.199 1037 E HA 0.490 4.840 4.350 -0.001 0.000 0.265 1037 E C 0.042 176.595 176.600 -0.078 0.000 0.882 1037 E CA -0.742 55.548 56.400 -0.185 0.000 0.759 1037 E CB 1.346 30.905 29.700 -0.236 0.000 1.148 1037 E HN 0.805 nan 8.360 nan 0.000 0.412 1038 M N 2.103 121.647 119.600 -0.093 0.000 2.241 1038 M HA 0.539 5.019 4.480 -0.001 0.000 0.374 1038 M C 0.749 176.977 176.300 -0.120 0.000 0.922 1038 M CA 0.239 55.465 55.300 -0.124 0.000 1.031 1038 M CB 1.341 33.802 32.600 -0.232 0.000 1.864 1038 M HN 0.594 nan 8.290 nan 0.000 0.636 1039 G N 1.331 110.085 108.800 -0.077 0.000 2.813 1039 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.194 1039 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.194 1039 G C 0.614 175.466 174.900 -0.080 0.000 1.010 1039 G CA 0.199 45.229 45.100 -0.115 0.000 0.771 1039 G HN 0.465 nan 8.290 nan 0.000 0.485 1040 Q N 1.015 120.793 119.800 -0.037 0.000 2.500 1040 Q HA 0.407 4.747 4.340 -0.001 0.000 0.213 1040 Q C 1.717 177.743 176.000 0.044 0.000 0.974 1040 Q CA 1.297 57.096 55.803 -0.006 0.000 0.918 1040 Q CB -0.377 28.346 28.738 -0.026 0.000 0.980 1040 Q HN 1.716 nan 8.270 nan 0.000 0.505 1041 G N 0.918 109.807 108.800 0.148 0.000 2.272 1041 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.280 1041 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.280 1041 G C 0.293 175.217 174.900 0.039 0.000 1.067 1041 G CA 0.338 45.588 45.100 0.251 0.000 0.902 1041 G HN 0.349 nan 8.290 nan 0.000 0.500 1042 L N -0.432 120.761 121.223 -0.051 0.000 2.072 1042 L HA 0.112 4.452 4.340 -0.001 0.000 0.205 1042 L C 2.513 179.346 176.870 -0.062 0.000 1.079 1042 L CA 2.574 57.352 54.840 -0.104 0.000 0.752 1042 L CB -0.448 41.514 42.059 -0.162 0.000 0.906 1042 L HN 0.407 nan 8.230 nan 0.000 0.436 1043 H N -0.684 118.407 119.070 0.034 0.000 2.321 1043 H HA -0.082 4.473 4.556 -0.001 0.000 0.300 1043 H C 2.138 177.437 175.328 -0.049 0.000 1.087 1043 H CA 1.862 57.933 56.048 0.037 0.000 1.319 1043 H CB -1.027 28.724 29.762 -0.018 0.000 1.379 1043 H HN 0.341 nan 8.280 nan 0.000 0.501 1044 T N 1.605 116.160 114.554 0.002 0.000 2.665 1044 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 1044 T C 2.022 176.718 174.700 -0.006 0.000 1.035 1044 T CA 1.678 63.753 62.100 -0.042 0.000 1.151 1044 T CB 0.008 68.834 68.868 -0.069 0.000 0.862 1044 T HN 0.397 nan 8.240 nan 0.000 0.438 1045 K N 0.402 120.800 120.400 -0.003 0.000 2.001 1045 K HA 0.024 4.344 4.320 -0.001 0.000 0.208 1045 K C 2.493 179.094 176.600 0.002 0.000 1.048 1045 K CA 1.070 57.354 56.287 -0.006 0.000 0.932 1045 K CB -0.229 32.259 32.500 -0.019 0.000 0.715 1045 K HN 0.211 nan 8.250 nan 0.000 0.437 1046 M N 0.860 120.452 119.600 -0.013 0.000 2.106 1046 M HA -0.164 4.316 4.480 -0.001 0.000 0.259 1046 M C 2.368 178.690 176.300 0.037 0.000 1.068 1046 M CA 1.428 56.718 55.300 -0.016 0.000 1.100 1046 M CB -0.965 31.588 32.600 -0.078 0.000 1.351 1046 M HN -0.039 nan 8.290 nan 0.000 0.404 1047 V N 0.457 120.396 119.914 0.042 0.000 2.287 1047 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 1047 V C 2.425 178.530 176.094 0.018 0.000 1.053 1047 V CA 1.779 64.095 62.300 0.025 0.000 1.027 1047 V CB -0.831 30.992 31.823 0.001 0.000 0.646 1047 V HN 0.540 nan 8.190 nan 0.000 0.447 1048 Q N -0.711 119.096 119.800 0.012 0.000 2.124 1048 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 1048 Q C 2.300 178.317 176.000 0.028 0.000 0.977 1048 Q CA 1.715 57.519 55.803 0.002 0.000 0.850 1048 Q CB -0.331 28.401 28.738 -0.009 0.000 0.901 1048 Q HN 0.570 nan 8.270 nan 0.000 0.429 1049 V N 1.109 121.073 119.914 0.082 0.000 2.237 1049 V HA -0.293 3.827 4.120 -0.001 0.000 0.245 1049 V C 2.342 178.554 176.094 0.196 0.000 1.046 1049 V CA 1.920 64.347 62.300 0.212 0.000 1.007 1049 V CB -1.136 30.805 31.823 0.196 0.000 0.638 1049 V HN 0.417 nan 8.190 nan 0.000 0.445 1050 A N -0.359 122.528 122.820 0.113 0.000 1.917 1050 A HA -0.290 4.030 4.320 -0.001 0.000 0.219 1050 A C 2.576 180.176 177.584 0.028 0.000 1.182 1050 A CA 2.522 54.603 52.037 0.073 0.000 0.633 1050 A CB -0.977 18.052 19.000 0.049 0.000 0.819 1050 A HN 0.520 nan 8.150 nan 0.000 0.448 1051 S N -0.734 114.967 115.700 0.001 0.000 2.400 1051 S HA -0.221 4.249 4.470 -0.001 0.000 0.232 1051 S C 2.169 176.738 174.600 -0.052 0.000 1.025 1051 S CA 1.700 59.870 58.200 -0.051 0.000 0.993 1051 S CB -0.355 62.815 63.200 -0.050 0.000 0.808 1051 S HN 0.673 nan 8.310 nan 0.000 0.478 1052 R N 0.071 120.560 120.500 -0.018 0.000 2.127 1052 R HA 0.202 4.542 4.340 -0.001 0.000 0.217 1052 R C 2.339 178.666 176.300 0.045 0.000 1.074 1052 R CA 1.053 57.129 56.100 -0.040 0.000 0.991 1052 R CB -0.603 29.599 30.300 -0.164 0.000 0.895 1052 R HN 0.414 nan 8.270 nan 0.000 0.450 1053 A N 1.059 123.959 122.820 0.134 0.000 1.898 1053 A HA -0.043 4.277 4.320 -0.001 0.000 0.216 1053 A C 1.965 179.567 177.584 0.029 0.000 1.181 1053 A CA 0.996 53.123 52.037 0.150 0.000 0.620 1053 A CB -0.290 18.793 19.000 0.139 0.000 0.819 1053 A HN 0.352 nan 8.150 nan 0.000 0.442 1054 L N -1.650 119.559 121.223 -0.023 0.000 2.567 1054 L HA 0.108 4.448 4.340 -0.001 0.000 0.225 1054 L C 0.170 176.963 176.870 -0.129 0.000 1.119 1054 L CA 0.087 54.879 54.840 -0.081 0.000 0.871 1054 L CB -0.085 41.868 42.059 -0.177 0.000 1.036 1054 L HN 0.289 nan 8.230 nan 0.000 0.459 1055 K N 1.576 121.923 120.400 -0.087 0.000 3.096 1055 K HA -0.177 4.143 4.320 -0.001 0.000 0.266 1055 K C -0.425 176.081 176.600 -0.158 0.000 1.043 1055 K CA 0.693 56.937 56.287 -0.071 0.000 0.758 1055 K CB -1.801 30.708 32.500 0.015 0.000 1.260 1055 K HN 0.530 nan 8.250 nan 0.000 0.481 1056 I N -3.731 116.683 120.570 -0.260 0.000 2.686 1056 I HA 0.552 4.722 4.170 -0.001 0.000 0.295 1056 I C -2.585 173.400 176.117 -0.219 0.000 1.114 1056 I CA -2.904 58.187 61.300 -0.347 0.000 1.038 1056 I CB 2.368 39.909 38.000 -0.766 0.000 1.238 1056 I HN -0.248 nan 8.210 nan 0.000 0.420 1057 P HA -0.045 nan 4.420 nan 0.000 0.266 1057 P C 0.950 178.200 177.300 -0.084 0.000 1.186 1057 P CA 0.256 63.299 63.100 -0.094 0.000 0.767 1057 P CB 0.545 32.206 31.700 -0.065 0.000 0.820 1058 T N -1.369 113.154 114.554 -0.052 0.000 2.897 1058 T HA -0.165 4.185 4.350 -0.001 0.000 0.271 1058 T C 1.742 176.435 174.700 -0.012 0.000 1.084 1058 T CA 1.513 63.594 62.100 -0.032 0.000 1.123 1058 T CB -1.157 67.698 68.868 -0.020 0.000 0.865 1058 T HN 0.499 nan 8.240 nan 0.000 0.496 1059 S N 2.040 117.733 115.700 -0.012 0.000 2.419 1059 S HA -0.095 4.374 4.470 -0.001 0.000 0.235 1059 S C 1.835 176.448 174.600 0.022 0.000 1.019 1059 S CA 0.815 59.020 58.200 0.008 0.000 0.982 1059 S CB -0.475 62.726 63.200 0.002 0.000 0.789 1059 S HN 0.632 nan 8.310 nan 0.000 0.490 1060 K N 0.427 120.830 120.400 0.004 0.000 2.426 1060 K HA 0.339 4.659 4.320 -0.001 0.000 0.193 1060 K C 0.126 176.769 176.600 0.071 0.000 1.028 1060 K CA 0.182 56.491 56.287 0.035 0.000 1.047 1060 K CB 0.008 32.507 32.500 -0.002 0.000 0.821 1060 K HN 0.472 nan 8.250 nan 0.000 0.513 1061 I N -0.305 120.298 120.570 0.056 0.000 2.607 1061 I HA 0.274 4.444 4.170 -0.001 0.000 0.305 1061 I C -0.537 175.663 176.117 0.138 0.000 0.995 1061 I CA -1.075 60.277 61.300 0.087 0.000 1.148 1061 I CB 1.520 39.542 38.000 0.038 0.000 1.323 1061 I HN 0.010 nan 8.210 nan 0.000 0.461 1062 H N 4.097 123.178 119.070 0.018 0.000 3.079 1062 H HA 0.603 5.159 4.556 -0.001 0.000 0.356 1062 H C -1.779 173.527 175.328 -0.036 0.000 1.221 1062 H CA -0.460 55.582 56.048 -0.010 0.000 1.185 1062 H CB 1.714 31.474 29.762 -0.005 0.000 1.882 1062 H HN 0.429 nan 8.280 nan 0.000 0.543 1063 I N 3.772 124.018 120.570 -0.541 0.000 2.447 1063 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 1063 I C 0.231 176.018 176.117 -0.551 0.000 1.023 1063 I CA -0.344 60.698 61.300 -0.429 0.000 1.083 1063 I CB 2.084 39.779 38.000 -0.508 0.000 1.245 1063 I HN 0.612 nan 8.210 nan 0.000 0.434 1064 S N 4.698 120.268 115.700 -0.217 0.000 2.475 1064 S HA 0.171 4.641 4.470 -0.001 0.000 0.224 1064 S C 0.242 174.764 174.600 -0.130 0.000 1.042 1064 S CA 0.462 58.617 58.200 -0.075 0.000 0.935 1064 S CB 0.336 63.604 63.200 0.114 0.000 0.801 1064 S HN 0.851 nan 8.310 nan 0.000 0.509 1065 E N -1.543 118.542 120.200 -0.191 0.000 2.299 1065 E HA 0.308 4.658 4.350 -0.001 0.000 0.260 1065 E C -1.640 174.857 176.600 -0.173 0.000 1.288 1065 E CA -0.987 55.328 56.400 -0.141 0.000 0.904 1065 E CB 0.516 30.187 29.700 -0.048 0.000 1.562 1065 E HN -0.053 nan 8.360 nan 0.000 0.462 1066 T N 0.802 115.296 114.554 -0.099 0.000 2.841 1066 T HA 0.743 5.093 4.350 -0.001 0.000 0.283 1066 T C -1.062 173.587 174.700 -0.086 0.000 1.000 1066 T CA -0.258 61.779 62.100 -0.105 0.000 0.977 1066 T CB 1.362 70.195 68.868 -0.058 0.000 0.979 1066 T HN 0.730 nan 8.240 nan 0.000 0.446 1067 S N -0.049 115.601 115.700 -0.084 0.000 2.567 1067 S HA 0.388 4.858 4.470 -0.001 0.000 0.270 1067 S C 0.791 175.349 174.600 -0.069 0.000 1.152 1067 S CA -0.569 57.579 58.200 -0.086 0.000 0.835 1067 S CB 0.946 64.091 63.200 -0.091 0.000 1.115 1067 S HN 0.690 nan 8.310 nan 0.000 0.459 1068 T N -0.175 114.335 114.554 -0.073 0.000 3.113 1068 T HA 0.024 4.374 4.350 -0.001 0.000 0.263 1068 T C 1.156 175.830 174.700 -0.044 0.000 1.143 1068 T CA 0.831 62.897 62.100 -0.057 0.000 1.090 1068 T CB -0.617 68.213 68.868 -0.064 0.000 0.922 1068 T HN 0.516 nan 8.240 nan 0.000 0.521 1069 N N 2.024 120.697 118.700 -0.044 0.000 2.109 1069 N HA -0.068 4.672 4.740 -0.001 0.000 0.188 1069 N C 2.377 177.881 175.510 -0.010 0.000 1.034 1069 N CA 2.142 55.177 53.050 -0.025 0.000 0.846 1069 N CB -0.750 37.724 38.487 -0.021 0.000 1.010 1069 N HN 0.739 nan 8.380 nan 0.000 0.425 1070 T N -1.431 113.114 114.554 -0.014 0.000 2.732 1070 T HA 0.063 4.413 4.350 -0.001 0.000 0.261 1070 T C 1.000 175.693 174.700 -0.011 0.000 1.040 1070 T CA 0.549 62.644 62.100 -0.009 0.000 1.145 1070 T CB -0.411 68.441 68.868 -0.027 0.000 0.866 1070 T HN -0.105 nan 8.240 nan 0.000 0.427 1071 V N 4.050 123.956 119.914 -0.014 0.000 2.531 1071 V HA 0.593 4.713 4.120 -0.001 0.000 0.301 1071 V C -2.589 173.505 176.094 0.001 0.000 1.034 1071 V CA -2.021 60.283 62.300 0.007 0.000 0.865 1071 V CB 2.109 33.947 31.823 0.025 0.000 0.995 1071 V HN 0.368 nan 8.190 nan 0.000 0.424 1072 P HA 0.476 nan 4.420 nan 0.000 0.289 1072 P C -0.772 176.533 177.300 0.007 0.000 1.302 1072 P CA -0.675 62.422 63.100 -0.006 0.000 0.923 1072 P CB 1.296 32.986 31.700 -0.017 0.000 1.238 1073 N N -1.330 117.362 118.700 -0.014 0.000 2.714 1073 N HA -0.110 4.630 4.740 -0.001 0.000 0.253 1073 N C -0.156 175.359 175.510 0.007 0.000 1.024 1073 N CA 1.200 54.241 53.050 -0.015 0.000 0.726 1073 N CB -2.328 36.148 38.487 -0.019 0.000 0.908 1073 N HN 0.640 nan 8.380 nan 0.000 0.542 1074 T N -3.048 111.502 114.554 -0.006 0.000 2.882 1074 T HA 0.540 4.890 4.350 -0.001 0.000 0.287 1074 T C 0.679 175.355 174.700 -0.040 0.000 0.992 1074 T CA -0.697 61.400 62.100 -0.005 0.000 1.076 1074 T CB 1.868 70.739 68.868 0.005 0.000 0.961 1074 T HN 0.114 nan 8.240 nan 0.000 0.490 1075 S N 4.076 119.735 115.700 -0.070 0.000 2.585 1075 S HA 0.334 4.803 4.470 -0.001 0.000 0.273 1075 S C -1.836 172.729 174.600 -0.058 0.000 1.339 1075 S CA -0.875 57.237 58.200 -0.148 0.000 1.028 1075 S CB 0.006 63.000 63.200 -0.345 0.000 0.906 1075 S HN 0.739 nan 8.310 nan 0.000 0.528 1076 P HA 0.070 nan 4.420 nan 0.000 0.270 1076 P C -0.735 176.622 177.300 0.096 0.000 1.223 1076 P CA -0.249 62.864 63.100 0.022 0.000 0.785 1076 P CB 0.132 31.851 31.700 0.032 0.000 0.923 1077 T N 1.161 115.743 114.554 0.048 0.000 2.987 1077 T HA 0.507 4.857 4.350 -0.001 0.000 0.288 1077 T C 0.236 174.955 174.700 0.032 0.000 0.981 1077 T CA 0.223 62.352 62.100 0.048 0.000 1.031 1077 T CB -0.639 68.228 68.868 -0.001 0.000 0.976 1077 T HN 0.618 nan 8.240 nan 0.000 0.612 1078 A N 1.947 124.807 122.820 0.066 0.000 2.515 1078 A HA 0.869 5.189 4.320 -0.001 0.000 0.299 1078 A C 0.603 177.994 177.584 -0.322 0.000 1.179 1078 A CA -0.280 51.709 52.037 -0.080 0.000 0.656 1078 A CB 0.090 19.047 19.000 -0.073 0.000 1.306 1078 A HN 1.429 nan 8.150 nan 0.000 0.459 1079 A N -1.114 121.425 122.820 -0.469 0.000 2.861 1079 A HA 0.021 4.341 4.320 -0.001 0.000 0.261 1079 A C 1.317 178.723 177.584 -0.296 0.000 1.351 1079 A CA 1.921 53.614 52.037 -0.574 0.000 0.904 1079 A CB -2.474 15.714 19.000 -1.352 0.000 1.076 1079 A HN 2.521 nan 8.150 nan 0.000 0.729 1080 S N -4.539 111.053 115.700 -0.181 0.000 2.829 1080 S HA -0.358 4.112 4.470 -0.001 0.000 0.267 1080 S C 1.486 176.051 174.600 -0.060 0.000 1.293 1080 S CA 2.060 60.197 58.200 -0.104 0.000 1.375 1080 S CB -2.046 61.087 63.200 -0.112 0.000 1.700 1080 S HN 2.513 nan 8.310 nan 0.000 0.668 1081 A N 0.837 123.610 122.820 -0.079 0.000 2.119 1081 A HA 0.248 4.567 4.320 -0.001 0.000 0.216 1081 A C 2.016 179.637 177.584 0.061 0.000 1.152 1081 A CA 1.465 53.516 52.037 0.022 0.000 0.708 1081 A CB -0.556 18.485 19.000 0.067 0.000 0.805 1081 A HN 0.552 nan 8.150 nan 0.000 0.460 1082 S N 0.328 116.055 115.700 0.044 0.000 2.389 1082 S HA -0.253 4.217 4.470 -0.001 0.000 0.231 1082 S C 2.092 176.678 174.600 -0.024 0.000 1.052 1082 S CA 1.629 59.847 58.200 0.030 0.000 1.053 1082 S CB -0.371 62.836 63.200 0.011 0.000 0.886 1082 S HN 0.847 nan 8.310 nan 0.000 0.456 1083 A N 0.419 123.218 122.820 -0.035 0.000 2.208 1083 A HA 0.041 4.360 4.320 -0.001 0.000 0.209 1083 A C 1.516 179.066 177.584 -0.057 0.000 1.161 1083 A CA 1.001 52.999 52.037 -0.066 0.000 0.782 1083 A CB -0.226 18.745 19.000 -0.049 0.000 0.816 1083 A HN 0.365 nan 8.150 nan 0.000 0.477 1084 D N -0.706 119.686 120.400 -0.013 0.000 2.197 1084 D HA 0.017 4.657 4.640 -0.001 0.000 0.212 1084 D C 1.682 177.947 176.300 -0.058 0.000 0.963 1084 D CA 0.519 54.509 54.000 -0.016 0.000 0.864 1084 D CB 0.001 40.863 40.800 0.103 0.000 1.009 1084 D HN 0.214 nan 8.370 nan 0.000 0.479 1085 L N 0.836 122.076 121.223 0.028 0.000 1.993 1085 L HA -0.030 4.309 4.340 -0.001 0.000 0.206 1085 L C 1.753 178.618 176.870 -0.008 0.000 1.074 1085 L CA 1.621 56.510 54.840 0.081 0.000 0.746 1085 L CB -1.371 40.735 42.059 0.078 0.000 0.896 1085 L HN -0.002 nan 8.230 nan 0.000 0.435 1086 N N -0.212 118.463 118.700 -0.041 0.000 2.120 1086 N HA -0.134 4.605 4.740 -0.001 0.000 0.188 1086 N C 1.823 177.266 175.510 -0.112 0.000 1.024 1086 N CA 1.300 54.306 53.050 -0.074 0.000 0.852 1086 N CB -0.586 37.795 38.487 -0.177 0.000 1.003 1086 N HN 0.401 nan 8.380 nan 0.000 0.424 1087 G N -0.004 108.710 108.800 -0.143 0.000 2.448 1087 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 1087 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 1087 G C 1.593 176.401 174.900 -0.153 0.000 1.127 1087 G CA 0.612 45.632 45.100 -0.133 0.000 0.766 1087 G HN 0.245 nan 8.290 nan 0.000 0.552 1088 Q N 0.235 119.888 119.800 -0.244 0.000 2.137 1088 Q HA 0.152 4.492 4.340 -0.001 0.000 0.198 1088 Q C 2.596 178.551 176.000 -0.074 0.000 0.960 1088 Q CA 1.515 57.109 55.803 -0.349 0.000 0.847 1088 Q CB -0.622 27.551 28.738 -0.942 0.000 0.915 1088 Q HN 0.312 nan 8.270 nan 0.000 0.448 1089 G N -0.506 108.283 108.800 -0.019 0.000 2.433 1089 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 1089 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 1089 G C 1.408 176.350 174.900 0.069 0.000 1.186 1089 G CA 0.980 46.116 45.100 0.061 0.000 0.779 1089 G HN 0.287 nan 8.290 nan 0.000 0.543 1090 V N 0.094 120.039 119.914 0.051 0.000 2.453 1090 V HA -0.255 3.865 4.120 -0.001 0.000 0.252 1090 V C 2.291 178.422 176.094 0.061 0.000 1.068 1090 V CA 2.021 64.355 62.300 0.057 0.000 1.070 1090 V CB -0.645 31.208 31.823 0.050 0.000 0.664 1090 V HN 0.526 nan 8.190 nan 0.000 0.461 1091 Y N 1.084 121.348 120.300 -0.060 0.000 2.163 1091 Y HA -0.188 4.362 4.550 -0.001 0.000 0.288 1091 Y C 2.618 178.499 175.900 -0.031 0.000 1.136 1091 Y CA 1.960 60.017 58.100 -0.072 0.000 1.147 1091 Y CB -0.099 38.245 38.460 -0.193 0.000 0.987 1091 Y HN 0.216 nan 8.280 nan 0.000 0.509 1092 E N 0.581 120.790 120.200 0.015 0.000 2.051 1092 E HA -0.220 4.130 4.350 -0.001 0.000 0.192 1092 E C 2.461 179.021 176.600 -0.067 0.000 0.991 1092 E CA 1.204 57.585 56.400 -0.032 0.000 0.799 1092 E CB -0.991 28.773 29.700 0.106 0.000 0.748 1092 E HN 0.570 nan 8.360 nan 0.000 0.449 1093 A N 1.012 123.824 122.820 -0.013 0.000 1.892 1093 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 1093 A C 2.668 180.230 177.584 -0.037 0.000 1.188 1093 A CA 1.872 53.904 52.037 -0.008 0.000 0.631 1093 A CB -1.121 17.884 19.000 0.010 0.000 0.822 1093 A HN 0.387 nan 8.150 nan 0.000 0.447 1094 C N -0.832 118.426 119.300 -0.071 0.000 2.422 1094 C HA -0.075 4.384 4.460 -0.001 0.000 0.279 1094 C C 2.818 177.742 174.990 -0.110 0.000 1.305 1094 C CA 1.081 60.057 59.018 -0.070 0.000 1.757 1094 C CB -1.090 26.601 27.740 -0.082 0.000 1.962 1094 C HN 0.599 nan 8.230 nan 0.000 0.499 1095 Q N -0.080 119.590 119.800 -0.216 0.000 2.230 1095 Q HA -0.085 4.254 4.340 -0.001 0.000 0.202 1095 Q C 2.227 178.178 176.000 -0.081 0.000 0.963 1095 Q CA 1.356 57.039 55.803 -0.198 0.000 0.866 1095 Q CB -0.782 27.772 28.738 -0.307 0.000 0.931 1095 Q HN 0.619 nan 8.270 nan 0.000 0.452 1096 T N 1.802 116.324 114.554 -0.054 0.000 2.777 1096 T HA -0.053 4.297 4.350 -0.001 0.000 0.266 1096 T C 1.878 176.579 174.700 0.002 0.000 1.040 1096 T CA 0.569 62.660 62.100 -0.016 0.000 1.141 1096 T CB 0.009 68.875 68.868 -0.004 0.000 0.868 1096 T HN 0.106 nan 8.240 nan 0.000 0.444 1097 I N 1.169 121.747 120.570 0.014 0.000 2.226 1097 I HA -0.087 4.083 4.170 -0.001 0.000 0.245 1097 I C 2.285 178.436 176.117 0.056 0.000 1.100 1097 I CA 1.334 62.661 61.300 0.045 0.000 1.374 1097 I CB -1.226 36.830 38.000 0.093 0.000 1.057 1097 I HN 0.270 nan 8.210 nan 0.000 0.413 1098 L N 0.337 121.591 121.223 0.051 0.000 2.131 1098 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 1098 L C 2.603 179.479 176.870 0.010 0.000 1.092 1098 L CA 1.210 56.077 54.840 0.046 0.000 0.759 1098 L CB -0.544 41.529 42.059 0.023 0.000 0.903 1098 L HN 0.229 nan 8.230 nan 0.000 0.435 1099 K N 0.532 120.934 120.400 0.004 0.000 1.978 1099 K HA -0.216 4.104 4.320 -0.001 0.000 0.214 1099 K C 2.290 178.903 176.600 0.023 0.000 1.049 1099 K CA 1.604 57.892 56.287 0.002 0.000 0.939 1099 K CB -0.086 32.415 32.500 0.002 0.000 0.721 1099 K HN 0.143 nan 8.250 nan 0.000 0.441 1100 R N 0.414 120.937 120.500 0.038 0.000 2.119 1100 R HA -0.155 4.185 4.340 -0.001 0.000 0.246 1100 R C 2.333 178.724 176.300 0.150 0.000 1.146 1100 R CA 1.714 57.861 56.100 0.078 0.000 0.962 1100 R CB -0.408 29.921 30.300 0.048 0.000 0.863 1100 R HN 0.308 nan 8.270 nan 0.000 0.442 1101 L N 0.987 122.258 121.223 0.080 0.000 2.492 1101 L HA -0.055 4.285 4.340 -0.001 0.000 0.223 1101 L C 2.194 179.090 176.870 0.044 0.000 1.132 1101 L CA 0.520 55.411 54.840 0.086 0.000 0.850 1101 L CB -0.326 41.713 42.059 -0.033 0.000 0.966 1101 L HN 0.336 nan 8.230 nan 0.000 0.454 1102 E N 0.259 120.443 120.200 -0.025 0.000 2.150 1102 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 1102 E C -0.868 175.640 176.600 -0.153 0.000 0.985 1102 E CA 0.432 56.751 56.400 -0.134 0.000 0.814 1102 E CB -1.228 28.411 29.700 -0.101 0.000 0.752 1102 E HN 0.357 nan 8.360 nan 0.000 0.466 1103 P HA -0.131 nan 4.420 nan 0.000 0.216 1103 P C 0.737 177.792 177.300 -0.409 0.000 1.150 1103 P CA 1.152 64.055 63.100 -0.328 0.000 0.837 1103 P CB -0.116 31.288 31.700 -0.494 0.000 0.786 1104 F N -0.273 119.586 119.950 -0.152 0.000 2.293 1104 F HA 0.037 4.564 4.527 -0.001 0.000 0.297 1104 F C 2.379 178.040 175.800 -0.232 0.000 1.089 1104 F CA 0.950 58.888 58.000 -0.103 0.000 1.377 1104 F CB -0.848 38.129 39.000 -0.039 0.000 1.051 1104 F HN -0.181 nan 8.300 nan 0.000 0.511 1105 K N 1.259 121.375 120.400 -0.474 0.000 2.025 1105 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 1105 K C 2.267 178.754 176.600 -0.189 0.000 1.049 1105 K CA 1.434 57.170 56.287 -0.918 0.000 0.933 1105 K CB -0.148 31.682 32.500 -1.117 0.000 0.714 1105 K HN 0.132 nan 8.250 nan 0.000 0.438 1106 K N 0.973 121.280 120.400 -0.156 0.000 2.032 1106 K HA -0.191 4.128 4.320 -0.001 0.000 0.209 1106 K C 1.887 178.490 176.600 0.006 0.000 1.048 1106 K CA 1.759 58.010 56.287 -0.059 0.000 0.927 1106 K CB 0.053 32.502 32.500 -0.085 0.000 0.712 1106 K HN 0.077 nan 8.250 nan 0.000 0.441 1107 K N 0.345 120.747 120.400 0.003 0.000 2.009 1107 K HA -0.156 4.163 4.320 -0.001 0.000 0.210 1107 K C 0.931 177.605 176.600 0.123 0.000 1.049 1107 K CA 1.293 57.606 56.287 0.043 0.000 0.929 1107 K CB -0.007 32.508 32.500 0.024 0.000 0.714 1107 K HN -0.031 nan 8.250 nan 0.000 0.440 1108 K N 0.832 121.377 120.400 0.241 0.000 2.533 1108 K HA 0.152 4.472 4.320 -0.001 0.000 0.207 1108 K C -2.463 174.415 176.600 0.462 0.000 1.052 1108 K CA -1.776 54.692 56.287 0.303 0.000 1.030 1108 K CB 1.260 33.941 32.500 0.302 0.000 1.522 1108 K HN -0.236 nan 8.250 nan 0.000 0.543 1109 P HA -0.228 nan 4.420 nan 0.000 0.218 1109 P C 0.758 178.289 177.300 0.384 0.000 1.154 1109 P CA 1.661 64.951 63.100 0.317 0.000 0.872 1109 P CB 0.248 32.051 31.700 0.172 0.000 0.790 1110 T N -5.641 109.052 114.554 0.232 0.000 3.069 1110 T HA 0.287 4.636 4.350 -0.001 0.000 0.252 1110 T C 1.059 175.753 174.700 -0.010 0.000 1.053 1110 T CA -0.105 62.071 62.100 0.127 0.000 0.964 1110 T CB -0.695 68.217 68.868 0.074 0.000 1.005 1110 T HN 0.043 nan 8.240 nan 0.000 0.532 1111 G N 4.133 112.921 108.800 -0.020 0.000 2.353 1111 G HA2 0.433 4.392 3.960 -0.001 0.000 0.239 1111 G HA3 0.433 4.392 3.960 -0.001 0.000 0.239 1111 G C -2.107 172.393 174.900 -0.667 0.000 1.295 1111 G CA -0.939 44.018 45.100 -0.239 0.000 0.884 1111 G HN 0.248 nan 8.290 nan 0.000 0.537 1112 P HA -0.156 nan 4.420 nan 0.000 0.270 1112 P C 0.843 177.739 177.300 -0.673 0.000 1.221 1112 P CA -0.316 62.513 63.100 -0.452 0.000 0.788 1112 P CB 0.749 32.327 31.700 -0.204 0.000 0.904 1113 W N 1.764 122.742 121.300 -0.537 0.000 2.358 1113 W HA -0.166 4.494 4.660 -0.000 0.000 0.303 1113 W C 1.279 177.730 176.519 -0.114 0.000 1.208 1113 W CA 1.515 58.701 57.345 -0.265 0.000 1.274 1113 W CB -0.436 28.997 29.460 -0.045 0.000 1.138 1113 W HN 0.305 nan 8.180 nan 0.000 0.515 1114 E N 1.046 121.203 120.200 -0.072 0.000 2.085 1114 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 1114 E C 2.423 178.913 176.600 -0.183 0.000 0.994 1114 E CA 2.292 58.606 56.400 -0.143 0.000 0.801 1114 E CB -0.983 28.695 29.700 -0.036 0.000 0.743 1114 E HN 0.293 nan 8.360 nan 0.000 0.453 1115 A N 0.450 123.155 122.820 -0.192 0.000 1.858 1115 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 1115 A C 1.866 179.422 177.584 -0.048 0.000 1.190 1115 A CA 1.393 53.346 52.037 -0.138 0.000 0.617 1115 A CB -1.017 17.874 19.000 -0.181 0.000 0.827 1115 A HN 0.334 nan 8.150 nan 0.000 0.443 1116 W N 0.094 121.327 121.300 -0.113 0.000 2.350 1116 W HA -0.095 4.565 4.660 -0.000 0.000 0.289 1116 W C 2.228 178.514 176.519 -0.389 0.000 1.215 1116 W CA 1.089 58.339 57.345 -0.159 0.000 1.236 1116 W CB -1.401 27.997 29.460 -0.103 0.000 1.130 1116 W HN 0.201 nan 8.180 nan 0.000 0.541 1117 V N 0.372 120.128 119.914 -0.263 0.000 2.270 1117 V HA -0.333 3.787 4.120 -0.001 0.000 0.245 1117 V C 2.269 178.223 176.094 -0.233 0.000 1.043 1117 V CA 2.098 64.162 62.300 -0.393 0.000 1.014 1117 V CB -1.049 30.460 31.823 -0.524 0.000 0.645 1117 V HN 0.017 nan 8.190 nan 0.000 0.447 1118 M N 0.837 120.356 119.600 -0.135 0.000 2.065 1118 M HA -0.190 4.289 4.480 -0.001 0.000 0.259 1118 M C 1.681 177.967 176.300 -0.024 0.000 1.069 1118 M CA 1.989 57.278 55.300 -0.018 0.000 1.110 1118 M CB -0.998 31.602 32.600 0.000 0.000 1.328 1118 M HN 0.354 nan 8.290 nan 0.000 0.405 1119 D N -0.062 120.308 120.400 -0.051 0.000 2.154 1119 D HA -0.209 4.431 4.640 -0.001 0.000 0.190 1119 D C 1.931 178.091 176.300 -0.234 0.000 1.003 1119 D CA 2.321 56.313 54.000 -0.013 0.000 0.849 1119 D CB -0.451 40.463 40.800 0.191 0.000 0.942 1119 D HN 0.514 nan 8.370 nan 0.000 0.446 1120 A N -0.407 121.943 122.820 -0.783 0.000 1.908 1120 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 1120 A C 2.178 179.591 177.584 -0.285 0.000 1.181 1120 A CA 1.704 53.134 52.037 -1.012 0.000 0.627 1120 A CB -1.101 17.312 19.000 -0.979 0.000 0.818 1120 A HN 0.417 nan 8.150 nan 0.000 0.445 1121 Y N 1.896 122.029 120.300 -0.278 0.000 2.089 1121 Y HA -0.205 4.345 4.550 -0.000 0.000 0.282 1121 Y C 2.786 178.636 175.900 -0.084 0.000 1.139 1121 Y CA 2.411 60.419 58.100 -0.153 0.000 1.123 1121 Y CB -1.135 37.247 38.460 -0.129 0.000 0.980 1121 Y HN 0.411 nan 8.280 nan 0.000 0.493 1122 T N -2.617 111.752 114.554 -0.308 0.000 3.139 1122 T HA -0.051 4.299 4.350 -0.001 0.000 0.267 1122 T C 1.351 175.943 174.700 -0.180 0.000 1.164 1122 T CA 1.161 63.057 62.100 -0.339 0.000 1.075 1122 T CB -0.550 68.236 68.868 -0.137 0.000 0.904 1122 T HN 0.265 nan 8.240 nan 0.000 0.540 1123 S N 0.571 116.212 115.700 -0.097 0.000 2.593 1123 S HA 0.651 5.120 4.470 -0.001 0.000 0.236 1123 S C 0.977 175.576 174.600 -0.002 0.000 0.991 1123 S CA -0.066 58.148 58.200 0.024 0.000 0.963 1123 S CB 0.177 63.526 63.200 0.248 0.000 0.865 1123 S HN 0.962 nan 8.310 nan 0.000 0.488 1124 A N 0.798 123.562 122.820 -0.093 0.000 2.739 1124 A HA -0.131 4.188 4.320 -0.001 0.000 0.296 1124 A C 0.086 177.673 177.584 0.004 0.000 1.488 1124 A CA 0.290 52.291 52.037 -0.059 0.000 0.746 1124 A CB -2.193 16.779 19.000 -0.048 0.000 1.047 1124 A HN 0.353 nan 8.150 nan 0.000 0.477 1125 V N 0.817 120.738 119.914 0.011 0.000 2.398 1125 V HA 0.554 4.673 4.120 -0.001 0.000 0.286 1125 V C 1.059 177.158 176.094 0.007 0.000 1.026 1125 V CA 0.114 62.429 62.300 0.026 0.000 0.868 1125 V CB 1.725 33.562 31.823 0.025 0.000 0.982 1125 V HN 0.946 nan 8.190 nan 0.000 0.443 1126 S N 4.499 120.206 115.700 0.012 0.000 2.549 1126 S HA 0.282 4.752 4.470 -0.001 0.000 0.286 1126 S C 0.278 174.867 174.600 -0.018 0.000 1.314 1126 S CA -0.153 58.048 58.200 0.002 0.000 1.062 1126 S CB 0.017 63.221 63.200 0.008 0.000 0.865 1126 S HN 0.607 nan 8.310 nan 0.000 0.498 1127 L N 4.132 125.333 121.223 -0.037 0.000 3.209 1127 L HA 0.357 4.696 4.340 -0.001 0.000 0.279 1127 L C 0.117 176.972 176.870 -0.024 0.000 1.301 1127 L CA -0.244 54.561 54.840 -0.059 0.000 1.004 1127 L CB 0.477 42.464 42.059 -0.120 0.000 1.402 1127 L HN 0.569 nan 8.230 nan 0.000 0.577 1128 S N 0.591 116.306 115.700 0.024 0.000 2.572 1128 S HA 0.865 5.335 4.470 -0.001 0.000 0.274 1128 S C -1.088 173.549 174.600 0.062 0.000 1.150 1128 S CA -0.196 58.074 58.200 0.116 0.000 0.944 1128 S CB 1.861 65.186 63.200 0.209 0.000 1.071 1128 S HN 0.259 nan 8.310 nan 0.000 0.479 1129 A N 2.655 125.493 122.820 0.029 0.000 2.594 1129 A HA 0.858 5.178 4.320 -0.001 0.000 0.295 1129 A C -0.182 177.398 177.584 -0.007 0.000 1.071 1129 A CA -0.617 51.428 52.037 0.013 0.000 0.685 1129 A CB 1.314 20.321 19.000 0.012 0.000 1.285 1129 A HN 1.102 nan 8.150 nan 0.000 0.405 1130 T N -0.807 113.752 114.554 0.009 0.000 2.934 1130 T HA 0.767 5.117 4.350 -0.001 0.000 0.283 1130 T C 0.246 174.977 174.700 0.053 0.000 1.005 1130 T CA -0.109 62.004 62.100 0.022 0.000 1.041 1130 T CB 1.753 70.638 68.868 0.027 0.000 1.042 1130 T HN 1.707 nan 8.240 nan 0.000 0.505 1131 G N 0.411 109.265 108.800 0.090 0.000 2.617 1131 G HA2 0.624 4.584 3.960 -0.001 0.000 0.306 1131 G HA3 0.624 4.584 3.960 -0.001 0.000 0.306 1131 G C -1.977 173.063 174.900 0.234 0.000 1.360 1131 G CA -0.744 44.433 45.100 0.128 0.000 0.983 1131 G HN 0.701 nan 8.290 nan 0.000 0.496 1132 F N 1.934 121.924 119.950 0.067 0.000 2.599 1132 F HA 0.811 5.338 4.527 -0.000 0.000 0.311 1132 F C -1.672 174.223 175.800 0.159 0.000 1.076 1132 F CA -1.174 56.876 58.000 0.082 0.000 0.937 1132 F CB 2.489 41.510 39.000 0.035 0.000 1.282 1132 F HN 0.553 nan 8.300 nan 0.000 0.460 1133 Y N 4.090 123.972 120.300 -0.696 0.000 2.552 1133 Y HA 0.489 5.039 4.550 -0.000 0.000 0.337 1133 Y C -1.872 173.617 175.900 -0.685 0.000 1.094 1133 Y CA -1.166 56.661 58.100 -0.455 0.000 1.028 1133 Y CB 1.586 39.893 38.460 -0.256 0.000 1.321 1133 Y HN 0.662 nan 8.280 nan 0.000 0.456 1134 K N 2.746 122.358 120.400 -1.314 0.000 2.468 1134 K HA 0.624 4.944 4.320 -0.001 0.000 0.252 1134 K C -1.573 174.280 176.600 -1.245 0.000 0.932 1134 K CA -0.831 54.876 56.287 -0.967 0.000 0.794 1134 K CB 1.947 34.226 32.500 -0.369 0.000 1.241 1134 K HN 0.556 nan 8.250 nan 0.000 0.428 1135 T N 5.037 119.124 114.554 -0.779 0.000 2.814 1135 T HA 0.217 4.567 4.350 -0.001 0.000 0.297 1135 T C -2.121 172.398 174.700 -0.303 0.000 0.956 1135 T CA -0.771 61.019 62.100 -0.516 0.000 1.123 1135 T CB 0.518 69.195 68.868 -0.319 0.000 0.902 1135 T HN 0.507 nan 8.240 nan 0.000 0.528 1136 P HA 0.303 nan 4.420 nan 0.000 0.286 1136 P C -0.102 177.208 177.300 0.016 0.000 1.261 1136 P CA -0.516 62.548 63.100 -0.061 0.000 0.821 1136 P CB 0.658 32.355 31.700 -0.004 0.000 1.013 1137 N N -0.737 117.972 118.700 0.014 0.000 2.850 1137 N HA -0.126 4.614 4.740 -0.001 0.000 0.249 1137 N C -0.110 175.415 175.510 0.024 0.000 1.060 1137 N CA 0.714 53.784 53.050 0.034 0.000 0.825 1137 N CB -1.866 36.662 38.487 0.068 0.000 1.132 1137 N HN 0.472 nan 8.380 nan 0.000 0.564 1138 L N 0.403 121.622 121.223 -0.008 0.000 2.439 1138 L HA 0.662 5.002 4.340 -0.001 0.000 0.259 1138 L C 1.184 178.033 176.870 -0.035 0.000 1.129 1138 L CA 0.001 54.816 54.840 -0.042 0.000 0.803 1138 L CB 1.200 43.209 42.059 -0.083 0.000 1.161 1138 L HN 0.261 nan 8.230 nan 0.000 0.462 1139 G N 1.007 109.778 108.800 -0.049 0.000 2.693 1139 G HA2 0.070 4.030 3.960 -0.001 0.000 0.290 1139 G HA3 0.070 4.030 3.960 -0.001 0.000 0.290 1139 G C -1.913 173.013 174.900 0.042 0.000 1.378 1139 G CA -0.805 44.289 45.100 -0.009 0.000 1.120 1139 G HN 0.454 nan 8.290 nan 0.000 0.609 1140 Y N 2.381 122.620 120.300 -0.102 0.000 2.446 1140 Y HA 0.814 5.364 4.550 -0.000 0.000 0.345 1140 Y C -0.156 175.714 175.900 -0.050 0.000 0.984 1140 Y CA -0.965 57.073 58.100 -0.104 0.000 1.058 1140 Y CB 2.537 40.885 38.460 -0.187 0.000 1.220 1140 Y HN 0.797 nan 8.280 nan 0.000 0.455 1141 S N 5.451 120.618 115.700 -0.888 0.000 2.449 1141 S HA 0.376 4.846 4.470 -0.001 0.000 0.310 1141 S C 0.148 174.126 174.600 -1.037 0.000 1.096 1141 S CA -0.507 57.295 58.200 -0.663 0.000 1.095 1141 S CB 0.193 63.209 63.200 -0.306 0.000 1.007 1141 S HN 0.705 nan 8.310 nan 0.000 0.474 1142 F N 2.879 122.491 119.950 -0.563 0.000 2.187 1142 F HA 0.116 4.643 4.527 -0.001 0.000 0.295 1142 F C 2.335 178.026 175.800 -0.183 0.000 1.091 1142 F CA 0.852 58.663 58.000 -0.315 0.000 1.308 1142 F CB -0.236 38.700 39.000 -0.106 0.000 1.030 1142 F HN 0.558 nan 8.300 nan 0.000 0.487 1143 E N -0.190 120.026 120.200 0.026 0.000 2.219 1143 E HA -0.195 4.155 4.350 -0.001 0.000 0.198 1143 E C 1.771 178.355 176.600 -0.026 0.000 0.998 1143 E CA 1.848 58.252 56.400 0.008 0.000 0.818 1143 E CB -0.205 29.495 29.700 -0.000 0.000 0.741 1143 E HN 0.380 nan 8.360 nan 0.000 0.477 1144 T N -3.900 110.601 114.554 -0.088 0.000 3.087 1144 T HA 0.113 4.463 4.350 -0.001 0.000 0.283 1144 T C 0.237 174.895 174.700 -0.070 0.000 0.956 1144 T CA 0.198 62.260 62.100 -0.064 0.000 0.894 1144 T CB -0.263 68.571 68.868 -0.057 0.000 1.160 1144 T HN 0.086 nan 8.240 nan 0.000 0.532 1145 N N 2.000 120.614 118.700 -0.142 0.000 2.686 1145 N HA -0.189 4.550 4.740 -0.001 0.000 0.261 1145 N C -0.533 175.041 175.510 0.107 0.000 1.001 1145 N CA 0.977 54.023 53.050 -0.007 0.000 0.764 1145 N CB -1.322 37.227 38.487 0.103 0.000 0.898 1145 N HN 0.961 nan 8.380 nan 0.000 0.544 1146 S N -0.891 114.811 115.700 0.003 0.000 2.596 1146 S HA 0.863 5.333 4.470 -0.001 0.000 0.270 1146 S C 0.059 174.736 174.600 0.129 0.000 1.155 1146 S CA -0.262 58.001 58.200 0.105 0.000 0.827 1146 S CB 1.718 64.937 63.200 0.032 0.000 1.130 1146 S HN 1.472 nan 8.310 nan 0.000 0.467 1147 G N 1.633 110.529 108.800 0.159 0.000 3.190 1147 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.686 1147 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.686 1147 G C -1.200 173.817 174.900 0.196 0.000 1.033 1147 G CA -1.109 44.073 45.100 0.136 0.000 0.797 1147 G HN 0.847 nan 8.290 nan 0.000 0.567 1148 N N 4.004 122.770 118.700 0.109 0.000 2.452 1148 N HA 0.296 5.036 4.740 -0.001 0.000 0.266 1148 N C -1.307 174.139 175.510 -0.106 0.000 1.175 1148 N CA -1.003 52.082 53.050 0.058 0.000 0.945 1148 N CB 1.727 40.259 38.487 0.074 0.000 1.063 1148 N HN 0.436 nan 8.380 nan 0.000 0.472 1149 P HA 0.206 nan 4.420 nan 0.000 0.261 1149 P C -0.777 175.822 177.300 -1.169 0.000 1.352 1149 P CA 0.183 62.803 63.100 -0.800 0.000 0.891 1149 P CB 0.185 31.098 31.700 -1.312 0.000 1.383 1150 F N -1.734 117.998 119.950 -0.363 0.000 2.601 1150 F HA 0.313 4.840 4.527 -0.000 0.000 0.309 1150 F C 1.683 177.330 175.800 -0.255 0.000 1.089 1150 F CA -0.866 56.870 58.000 -0.441 0.000 0.940 1150 F CB 1.332 39.840 39.000 -0.820 0.000 1.273 1150 F HN -0.272 nan 8.300 nan 0.000 0.450 1151 H N 1.235 120.251 119.070 -0.091 0.000 2.415 1151 H HA 0.102 4.658 4.556 -0.001 0.000 0.297 1151 H C -0.799 174.604 175.328 0.125 0.000 1.048 1151 H CA 1.690 57.768 56.048 0.048 0.000 1.365 1151 H CB 0.282 30.147 29.762 0.172 0.000 1.421 1151 H HN 0.521 nan 8.280 nan 0.000 0.533 1152 Y N -3.964 116.180 120.300 -0.261 0.000 2.895 1152 Y HA 0.431 4.981 4.550 -0.001 0.000 0.339 1152 Y C -1.916 173.629 175.900 -0.591 0.000 1.363 1152 Y CA -2.273 55.621 58.100 -0.342 0.000 1.085 1152 Y CB 0.468 38.793 38.460 -0.225 0.000 1.500 1152 Y HN -0.190 nan 8.280 nan 0.000 0.442 1153 F N 0.835 120.709 119.950 -0.126 0.000 2.520 1153 F HA 0.641 5.167 4.527 -0.001 0.000 0.322 1153 F C 0.301 175.755 175.800 -0.577 0.000 1.103 1153 F CA -0.919 56.798 58.000 -0.473 0.000 0.926 1153 F CB 2.385 41.047 39.000 -0.563 0.000 1.154 1153 F HN 0.589 nan 8.300 nan 0.000 0.453 1154 S N 2.540 118.080 115.700 -0.267 0.000 2.562 1154 S HA 0.606 5.075 4.470 -0.001 0.000 0.275 1154 S C -1.273 173.168 174.600 -0.264 0.000 1.281 1154 S CA -0.162 57.954 58.200 -0.140 0.000 1.045 1154 S CB 0.333 63.554 63.200 0.034 0.000 0.962 1154 S HN 0.515 nan 8.310 nan 0.000 0.503 1155 Y N 1.020 121.422 120.300 0.170 0.000 2.492 1155 Y HA 0.656 5.205 4.550 -0.001 0.000 0.346 1155 Y C 0.614 176.576 175.900 0.103 0.000 0.997 1155 Y CA -0.912 57.258 58.100 0.116 0.000 1.025 1155 Y CB 2.669 41.143 38.460 0.023 0.000 1.263 1155 Y HN 0.917 nan 8.280 nan 0.000 0.454 1156 G N 0.614 109.597 108.800 0.306 0.000 2.547 1156 G HA2 0.542 4.502 3.960 -0.001 0.000 0.291 1156 G HA3 0.542 4.502 3.960 -0.001 0.000 0.291 1156 G C -2.471 172.562 174.900 0.221 0.000 1.471 1156 G CA -0.656 44.575 45.100 0.219 0.000 0.798 1156 G HN 0.447 nan 8.290 nan 0.000 0.504 1157 V N -0.015 120.003 119.914 0.174 0.000 2.686 1157 V HA 0.825 4.945 4.120 -0.001 0.000 0.306 1157 V C 0.120 176.263 176.094 0.082 0.000 1.065 1157 V CA -0.346 62.051 62.300 0.162 0.000 0.894 1157 V CB 1.502 33.412 31.823 0.145 0.000 1.004 1157 V HN 1.587 nan 8.190 nan 0.000 0.424 1158 A N 2.805 125.675 122.820 0.083 0.000 2.350 1158 A HA 0.737 5.056 4.320 -0.001 0.000 0.324 1158 A C -0.551 177.021 177.584 -0.018 0.000 1.118 1158 A CA -0.469 51.599 52.037 0.051 0.000 0.783 1158 A CB 1.574 20.688 19.000 0.190 0.000 1.236 1158 A HN 1.112 nan 8.150 nan 0.000 0.457 1159 C N 2.910 122.172 119.300 -0.063 0.000 2.647 1159 C HA 0.686 5.146 4.460 -0.001 0.000 0.273 1159 C C 0.108 175.079 174.990 -0.031 0.000 1.088 1159 C CA -0.319 58.643 59.018 -0.093 0.000 1.529 1159 C CB -1.371 26.270 27.740 -0.166 0.000 1.810 1159 C HN 0.786 nan 8.230 nan 0.000 0.422 1160 S N 2.917 118.631 115.700 0.022 0.000 2.617 1160 S HA 0.552 5.022 4.470 -0.001 0.000 0.283 1160 S C -0.618 174.012 174.600 0.050 0.000 1.189 1160 S CA -0.331 57.894 58.200 0.041 0.000 1.036 1160 S CB 1.440 64.706 63.200 0.111 0.000 1.014 1160 S HN 0.863 nan 8.310 nan 0.000 0.522 1161 E N 1.390 121.610 120.200 0.033 0.000 2.256 1161 E HA 0.572 4.921 4.350 -0.001 0.000 0.268 1161 E C -1.076 175.541 176.600 0.029 0.000 0.877 1161 E CA -0.706 55.711 56.400 0.027 0.000 0.757 1161 E CB 1.425 31.126 29.700 0.002 0.000 1.183 1161 E HN 0.491 nan 8.360 nan 0.000 0.418 1162 V N 0.762 120.699 119.914 0.037 0.000 3.145 1162 V HA 0.737 4.857 4.120 -0.001 0.000 0.311 1162 V C -0.891 175.217 176.094 0.023 0.000 1.238 1162 V CA -0.667 61.678 62.300 0.076 0.000 1.066 1162 V CB 1.894 33.798 31.823 0.135 0.000 1.144 1162 V HN 0.830 nan 8.190 nan 0.000 0.465 1163 E N 1.222 121.462 120.200 0.066 0.000 2.551 1163 E HA 0.404 4.754 4.350 -0.001 0.000 0.321 1163 E C -0.831 175.846 176.600 0.128 0.000 0.975 1163 E CA -0.648 55.764 56.400 0.021 0.000 0.784 1163 E CB 1.381 31.015 29.700 -0.110 0.000 1.493 1163 E HN 0.991 nan 8.360 nan 0.000 0.385 1164 I N 0.115 120.772 120.570 0.144 0.000 3.021 1164 I HA 0.501 4.671 4.170 -0.001 0.000 0.303 1164 I C -0.116 176.113 176.117 0.188 0.000 1.044 1164 I CA -0.497 60.913 61.300 0.182 0.000 1.266 1164 I CB 1.067 39.139 38.000 0.119 0.000 1.447 1164 I HN 0.374 nan 8.210 nan 0.000 0.593 1165 D N 3.315 123.833 120.400 0.196 0.000 2.464 1165 D HA 0.257 4.897 4.640 -0.001 0.000 0.243 1165 D C 0.614 177.032 176.300 0.197 0.000 1.104 1165 D CA -0.556 53.567 54.000 0.204 0.000 0.883 1165 D CB 1.276 42.195 40.800 0.198 0.000 1.050 1165 D HN 0.748 nan 8.370 nan 0.000 0.524 1166 C N 2.913 122.346 119.300 0.221 0.000 2.400 1166 C HA -0.088 4.372 4.460 -0.001 0.000 0.291 1166 C C 2.465 177.583 174.990 0.213 0.000 1.372 1166 C CA 0.238 59.392 59.018 0.228 0.000 1.800 1166 C CB -0.962 26.955 27.740 0.294 0.000 1.869 1166 C HN 0.658 nan 8.230 nan 0.000 0.533 1167 L N 0.554 121.881 121.223 0.175 0.000 2.477 1167 L HA 0.015 4.355 4.340 -0.001 0.000 0.220 1167 L C 2.381 179.257 176.870 0.009 0.000 1.106 1167 L CA 1.556 56.410 54.840 0.022 0.000 0.851 1167 L CB -0.261 41.771 42.059 -0.046 0.000 0.994 1167 L HN 0.558 nan 8.230 nan 0.000 0.462 1168 T N -6.471 108.151 114.554 0.113 0.000 2.980 1168 T HA 0.337 4.687 4.350 -0.001 0.000 0.252 1168 T C 1.386 176.241 174.700 0.259 0.000 0.962 1168 T CA 0.567 62.755 62.100 0.147 0.000 0.932 1168 T CB 1.256 70.250 68.868 0.210 0.000 1.188 1168 T HN 0.226 nan 8.240 nan 0.000 0.500 1169 G N 1.714 110.642 108.800 0.214 0.000 2.279 1169 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.223 1169 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.223 1169 G C -0.120 174.885 174.900 0.175 0.000 1.015 1169 G CA 0.091 45.301 45.100 0.185 0.000 0.621 1169 G HN 0.836 nan 8.290 nan 0.000 0.506 1170 D N 1.548 122.059 120.400 0.185 0.000 2.378 1170 D HA 0.484 5.124 4.640 -0.001 0.000 0.238 1170 D C 0.814 177.258 176.300 0.241 0.000 1.180 1170 D CA 0.775 54.874 54.000 0.165 0.000 0.895 1170 D CB 0.279 41.119 40.800 0.067 0.000 1.192 1170 D HN 0.708 nan 8.370 nan 0.000 0.438 1171 H N -1.385 117.726 119.070 0.068 0.000 2.928 1171 H HA 0.507 5.063 4.556 -0.000 0.000 0.285 1171 H C -1.353 174.041 175.328 0.110 0.000 1.438 1171 H CA -1.011 55.090 56.048 0.087 0.000 1.176 1171 H CB 0.767 30.563 29.762 0.057 0.000 1.864 1171 H HN 0.479 nan 8.280 nan 0.000 0.567 1172 K N 1.160 121.528 120.400 -0.053 0.000 2.589 1172 K HA 0.319 4.639 4.320 -0.001 0.000 0.253 1172 K C -1.820 174.794 176.600 0.023 0.000 0.974 1172 K CA -0.718 55.516 56.287 -0.088 0.000 0.835 1172 K CB 1.121 33.688 32.500 0.113 0.000 1.272 1172 K HN 0.452 nan 8.250 nan 0.000 0.444 1173 N N 3.910 122.613 118.700 0.005 0.000 2.416 1173 N HA 0.075 4.815 4.740 -0.001 0.000 0.271 1173 N C 0.629 176.152 175.510 0.021 0.000 1.245 1173 N CA -0.220 52.867 53.050 0.062 0.000 0.940 1173 N CB 0.517 39.043 38.487 0.065 0.000 1.175 1173 N HN 0.515 nan 8.380 nan 0.000 0.483 1174 L N 1.137 122.365 121.223 0.008 0.000 2.209 1174 L HA 0.124 4.463 4.340 -0.001 0.000 0.207 1174 L C 1.057 177.913 176.870 -0.023 0.000 1.094 1174 L CA 0.610 55.441 54.840 -0.016 0.000 0.790 1174 L CB -0.041 41.988 42.059 -0.051 0.000 0.932 1174 L HN 0.557 nan 8.230 nan 0.000 0.447 1175 R N -1.065 119.413 120.500 -0.036 0.000 2.664 1175 R HA 0.373 4.712 4.340 -0.001 0.000 0.260 1175 R C -1.695 174.547 176.300 -0.097 0.000 1.062 1175 R CA -0.355 55.709 56.100 -0.060 0.000 0.902 1175 R CB 1.822 32.104 30.300 -0.031 0.000 1.258 1175 R HN -0.233 nan 8.270 nan 0.000 0.465 1176 T N 1.966 116.415 114.554 -0.175 0.000 2.909 1176 T HA 0.423 4.772 4.350 -0.001 0.000 0.299 1176 T C -1.734 172.871 174.700 -0.160 0.000 1.073 1176 T CA -0.637 61.321 62.100 -0.237 0.000 0.999 1176 T CB 1.755 70.280 68.868 -0.571 0.000 1.098 1176 T HN 0.584 nan 8.240 nan 0.000 0.477 1177 D N 1.340 121.667 120.400 -0.121 0.000 2.863 1177 D HA 0.592 5.231 4.640 -0.001 0.000 0.245 1177 D C -0.737 175.524 176.300 -0.065 0.000 1.211 1177 D CA -0.355 53.608 54.000 -0.063 0.000 0.888 1177 D CB 1.468 42.237 40.800 -0.051 0.000 1.483 1177 D HN 0.349 nan 8.370 nan 0.000 0.533 1178 I N 1.584 122.139 120.570 -0.025 0.000 2.689 1178 I HA 0.589 4.759 4.170 -0.001 0.000 0.299 1178 I C -0.817 175.313 176.117 0.021 0.000 1.059 1178 I CA -1.204 60.095 61.300 -0.001 0.000 1.055 1178 I CB 2.329 40.334 38.000 0.010 0.000 1.243 1178 I HN 0.046 nan 8.210 nan 0.000 0.425 1179 V N 5.323 125.260 119.914 0.038 0.000 2.498 1179 V HA 0.330 4.450 4.120 -0.001 0.000 0.283 1179 V C -0.544 175.595 176.094 0.076 0.000 1.015 1179 V CA -0.276 62.052 62.300 0.046 0.000 0.867 1179 V CB 1.626 33.467 31.823 0.030 0.000 1.025 1179 V HN 0.650 nan 8.190 nan 0.000 0.441 1180 M N 3.602 123.250 119.600 0.080 0.000 2.472 1180 M HA 0.581 5.061 4.480 -0.001 0.000 0.331 1180 M C -0.602 175.757 176.300 0.098 0.000 1.170 1180 M CA -0.238 55.122 55.300 0.100 0.000 1.009 1180 M CB 1.654 34.308 32.600 0.091 0.000 1.672 1180 M HN 0.593 nan 8.290 nan 0.000 0.453 1181 D N 2.946 123.420 120.400 0.123 0.000 2.443 1181 D HA 0.359 4.999 4.640 -0.001 0.000 0.221 1181 D C -0.216 176.145 176.300 0.103 0.000 1.097 1181 D CA -0.356 53.717 54.000 0.120 0.000 0.865 1181 D CB 0.588 41.493 40.800 0.176 0.000 1.034 1181 D HN 0.393 nan 8.370 nan 0.000 0.511 1182 V N 2.139 122.098 119.914 0.076 0.000 2.940 1182 V HA 0.613 4.733 4.120 -0.001 0.000 0.366 1182 V C 1.226 177.342 176.094 0.038 0.000 1.353 1182 V CA 0.080 62.416 62.300 0.060 0.000 1.232 1182 V CB -0.319 31.529 31.823 0.043 0.000 1.278 1182 V HN 0.637 nan 8.190 nan 0.000 0.546 1183 G N 1.704 110.526 108.800 0.036 0.000 2.582 1183 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.300 1183 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.300 1183 G C 0.176 175.085 174.900 0.014 0.000 1.300 1183 G CA 0.239 45.344 45.100 0.008 0.000 0.959 1183 G HN 1.034 nan 8.290 nan 0.000 0.548 1184 S N 0.414 116.115 115.700 0.002 0.000 2.701 1184 S HA 0.458 4.928 4.470 -0.001 0.000 0.317 1184 S C 0.676 175.280 174.600 0.006 0.000 1.149 1184 S CA 0.616 58.822 58.200 0.011 0.000 1.052 1184 S CB 0.891 64.096 63.200 0.008 0.000 1.257 1184 S HN 1.250 nan 8.310 nan 0.000 0.532 1185 S N 3.264 118.969 115.700 0.009 0.000 2.593 1185 S HA 0.030 4.500 4.470 -0.001 0.000 0.300 1185 S C 1.307 175.894 174.600 -0.020 0.000 1.267 1185 S CA -0.394 57.801 58.200 -0.008 0.000 1.065 1185 S CB 0.010 63.197 63.200 -0.022 0.000 0.807 1185 S HN 0.632 nan 8.310 nan 0.000 0.499 1186 L N 3.541 124.754 121.223 -0.017 0.000 2.109 1186 L HA 0.094 4.434 4.340 -0.001 0.000 0.207 1186 L C 1.284 178.128 176.870 -0.044 0.000 1.086 1186 L CA 0.653 55.484 54.840 -0.014 0.000 0.760 1186 L CB -0.205 41.858 42.059 0.007 0.000 0.910 1186 L HN 0.628 nan 8.230 nan 0.000 0.437 1187 N N -1.221 117.442 118.700 -0.061 0.000 2.621 1187 N HA 0.165 4.905 4.740 -0.001 0.000 0.271 1187 N C -2.277 173.135 175.510 -0.162 0.000 1.181 1187 N CA -1.347 51.644 53.050 -0.099 0.000 0.805 1187 N CB 1.786 40.234 38.487 -0.065 0.000 1.351 1187 N HN -0.285 nan 8.380 nan 0.000 0.539 1188 P HA -0.173 nan 4.420 nan 0.000 0.214 1188 P C 1.094 178.156 177.300 -0.397 0.000 1.169 1188 P CA 2.154 65.016 63.100 -0.397 0.000 0.908 1188 P CB 0.326 31.495 31.700 -0.884 0.000 0.791 1189 A N -0.763 121.770 122.820 -0.478 0.000 1.908 1189 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 1189 A C 2.179 179.546 177.584 -0.361 0.000 1.181 1189 A CA 1.724 53.435 52.037 -0.542 0.000 0.627 1189 A CB -1.584 16.915 19.000 -0.836 0.000 0.818 1189 A HN 0.059 nan 8.150 nan 0.000 0.445 1190 I N 0.449 120.894 120.570 -0.209 0.000 2.202 1190 I HA -0.187 3.983 4.170 -0.001 0.000 0.242 1190 I C 1.907 177.972 176.117 -0.087 0.000 1.091 1190 I CA 1.602 62.843 61.300 -0.097 0.000 1.368 1190 I CB -1.572 36.408 38.000 -0.033 0.000 1.058 1190 I HN 0.311 nan 8.210 nan 0.000 0.410 1191 D N 0.967 121.312 120.400 -0.091 0.000 2.097 1191 D HA -0.150 4.490 4.640 -0.001 0.000 0.195 1191 D C 2.362 178.627 176.300 -0.060 0.000 0.989 1191 D CA 1.168 55.133 54.000 -0.058 0.000 0.827 1191 D CB -0.229 40.543 40.800 -0.046 0.000 0.966 1191 D HN 0.303 nan 8.370 nan 0.000 0.456 1192 I N 1.096 121.611 120.570 -0.092 0.000 2.264 1192 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 1192 I C 2.427 178.482 176.117 -0.102 0.000 1.111 1192 I CA 1.385 62.634 61.300 -0.085 0.000 1.382 1192 I CB -0.387 37.557 38.000 -0.093 0.000 1.060 1192 I HN 0.029 nan 8.210 nan 0.000 0.418 1193 G N -0.513 108.219 108.800 -0.113 0.000 2.484 1193 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 1193 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 1193 G C 1.586 176.456 174.900 -0.050 0.000 1.130 1193 G CA 0.165 45.209 45.100 -0.093 0.000 0.784 1193 G HN 0.285 nan 8.290 nan 0.000 0.543 1194 Q N 0.006 119.787 119.800 -0.032 0.000 2.212 1194 Q HA 0.082 4.422 4.340 -0.001 0.000 0.199 1194 Q C 2.905 178.921 176.000 0.028 0.000 0.950 1194 Q CA 0.439 56.245 55.803 0.005 0.000 0.863 1194 Q CB -0.224 28.515 28.738 0.001 0.000 0.944 1194 Q HN 0.400 nan 8.270 nan 0.000 0.465 1195 V N 1.510 121.434 119.914 0.016 0.000 2.270 1195 V HA -0.250 3.869 4.120 -0.001 0.000 0.245 1195 V C 2.114 178.269 176.094 0.102 0.000 1.043 1195 V CA 1.908 64.243 62.300 0.059 0.000 1.014 1195 V CB -0.464 31.380 31.823 0.034 0.000 0.645 1195 V HN 0.370 nan 8.190 nan 0.000 0.447 1196 E N 0.276 120.465 120.200 -0.018 0.000 2.058 1196 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 1196 E C 2.301 178.985 176.600 0.140 0.000 0.997 1196 E CA 1.372 57.735 56.400 -0.063 0.000 0.801 1196 E CB -0.560 28.898 29.700 -0.404 0.000 0.746 1196 E HN 0.645 nan 8.360 nan 0.000 0.450 1197 G N 1.109 109.949 108.800 0.067 0.000 2.421 1197 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 1197 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 1197 G C 1.698 176.668 174.900 0.116 0.000 1.171 1197 G CA 0.928 46.077 45.100 0.081 0.000 0.775 1197 G HN 0.354 nan 8.290 nan 0.000 0.543 1198 A N 0.488 123.382 122.820 0.124 0.000 1.883 1198 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 1198 A C 2.188 179.844 177.584 0.121 0.000 1.186 1198 A CA 1.660 53.758 52.037 0.102 0.000 0.624 1198 A CB -0.682 18.370 19.000 0.087 0.000 0.822 1198 A HN 0.386 nan 8.150 nan 0.000 0.444 1199 F N 0.890 120.892 119.950 0.086 0.000 2.065 1199 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 1199 F C 2.237 178.098 175.800 0.100 0.000 1.112 1199 F CA 2.314 60.388 58.000 0.122 0.000 1.212 1199 F CB -0.329 38.820 39.000 0.248 0.000 0.975 1199 F HN 0.028 nan 8.300 nan 0.000 0.476 1200 V N 0.172 120.289 119.914 0.337 0.000 2.720 1200 V HA -0.291 3.829 4.120 -0.001 0.000 0.256 1200 V C 2.190 178.283 176.094 -0.001 0.000 1.082 1200 V CA 1.951 64.372 62.300 0.201 0.000 1.101 1200 V CB -0.764 31.236 31.823 0.295 0.000 0.693 1200 V HN 0.464 nan 8.190 nan 0.000 0.479 1201 Q N -0.169 119.602 119.800 -0.048 0.000 2.137 1201 Q HA -0.050 4.289 4.340 -0.001 0.000 0.198 1201 Q C 2.397 178.235 176.000 -0.270 0.000 0.960 1201 Q CA 1.379 57.102 55.803 -0.134 0.000 0.847 1201 Q CB -0.288 28.382 28.738 -0.114 0.000 0.915 1201 Q HN 0.713 nan 8.270 nan 0.000 0.448 1202 G N 1.518 110.126 108.800 -0.320 0.000 2.414 1202 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.215 1202 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.215 1202 G C 1.456 176.032 174.900 -0.541 0.000 1.188 1202 G CA 0.946 45.726 45.100 -0.532 0.000 0.783 1202 G HN 0.376 nan 8.290 nan 0.000 0.537 1203 L N 1.383 122.353 121.223 -0.422 0.000 2.129 1203 L HA 0.109 4.449 4.340 -0.001 0.000 0.212 1203 L C 2.340 179.110 176.870 -0.166 0.000 1.087 1203 L CA 2.367 57.052 54.840 -0.258 0.000 0.757 1203 L CB -1.199 40.725 42.059 -0.224 0.000 0.896 1203 L HN 0.095 nan 8.230 nan 0.000 0.434 1204 G N -0.399 108.272 108.800 -0.214 0.000 2.430 1204 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.216 1204 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.216 1204 G C 1.493 176.231 174.900 -0.270 0.000 1.146 1204 G CA 0.638 45.621 45.100 -0.196 0.000 0.793 1204 G HN 0.461 nan 8.290 nan 0.000 0.537 1205 L N -0.346 120.614 121.223 -0.439 0.000 2.056 1205 L HA 0.199 4.539 4.340 -0.001 0.000 0.207 1205 L C 2.016 178.625 176.870 -0.436 0.000 1.078 1205 L CA 1.595 56.096 54.840 -0.565 0.000 0.749 1205 L CB -0.470 41.026 42.059 -0.939 0.000 0.901 1205 L HN 0.149 nan 8.230 nan 0.000 0.433 1206 F N -0.892 118.916 119.950 -0.238 0.000 2.743 1206 F HA 0.167 4.693 4.527 -0.001 0.000 0.297 1206 F C 1.936 177.697 175.800 -0.065 0.000 1.131 1206 F CA 0.788 58.642 58.000 -0.244 0.000 1.426 1206 F CB -0.798 38.005 39.000 -0.329 0.000 1.116 1206 F HN 0.352 nan 8.300 nan 0.000 0.583 1207 T N -5.144 109.462 114.554 0.087 0.000 3.252 1207 T HA 0.272 4.622 4.350 -0.001 0.000 0.295 1207 T C 0.906 175.623 174.700 0.029 0.000 0.897 1207 T CA 0.056 62.211 62.100 0.092 0.000 0.905 1207 T CB -0.216 68.733 68.868 0.135 0.000 1.202 1207 T HN 0.128 nan 8.240 nan 0.000 0.592 1208 M N 0.155 119.720 119.600 -0.058 0.000 2.049 1208 M HA 0.394 4.873 4.480 -0.001 0.000 0.223 1208 M C -0.502 175.657 176.300 -0.235 0.000 1.356 1208 M CA 0.003 55.233 55.300 -0.117 0.000 1.017 1208 M CB 1.096 33.616 32.600 -0.132 0.000 1.639 1208 M HN 0.066 nan 8.290 nan 0.000 0.583 1209 E N 2.572 122.586 120.200 -0.309 0.000 2.223 1209 E HA 0.237 4.587 4.350 -0.001 0.000 0.282 1209 E C -0.595 175.859 176.600 -0.243 0.000 1.046 1209 E CA 0.109 56.198 56.400 -0.518 0.000 0.857 1209 E CB 0.945 30.330 29.700 -0.525 0.000 1.055 1209 E HN 0.138 nan 8.360 nan 0.000 0.409 1210 E N 3.714 123.779 120.200 -0.224 0.000 2.292 1210 E HA 0.358 4.708 4.350 -0.001 0.000 0.272 1210 E C -1.522 175.071 176.600 -0.012 0.000 0.881 1210 E CA -0.634 55.751 56.400 -0.026 0.000 0.754 1210 E CB 1.152 30.854 29.700 0.003 0.000 1.201 1210 E HN 0.357 nan 8.360 nan 0.000 0.425 1211 L N 3.900 125.200 121.223 0.128 0.000 2.322 1211 L HA 0.498 4.837 4.340 -0.001 0.000 0.281 1211 L C -0.688 176.287 176.870 0.176 0.000 1.014 1211 L CA -0.659 54.227 54.840 0.075 0.000 0.815 1211 L CB 1.598 43.753 42.059 0.160 0.000 1.247 1211 L HN 0.585 nan 8.230 nan 0.000 0.421 1212 H N 2.424 121.518 119.070 0.040 0.000 2.505 1212 H HA 0.470 5.026 4.556 -0.001 0.000 0.338 1212 H C -1.385 173.865 175.328 -0.131 0.000 1.057 1212 H CA -0.740 55.349 56.048 0.068 0.000 1.202 1212 H CB 1.514 31.328 29.762 0.087 0.000 1.466 1212 H HN 0.360 nan 8.280 nan 0.000 0.499 1213 Y N 0.838 121.180 120.300 0.070 0.000 2.429 1213 Y HA 0.191 4.740 4.550 -0.000 0.000 0.342 1213 Y C 0.676 176.482 175.900 -0.158 0.000 1.004 1213 Y CA -1.103 56.950 58.100 -0.077 0.000 1.075 1213 Y CB 1.666 40.100 38.460 -0.043 0.000 1.214 1213 Y HN 0.634 nan 8.280 nan 0.000 0.455 1214 S N 2.147 117.727 115.700 -0.201 0.000 2.587 1214 S HA 0.131 4.601 4.470 -0.001 0.000 0.260 1214 S C -1.971 172.594 174.600 -0.058 0.000 1.353 1214 S CA -0.797 57.300 58.200 -0.171 0.000 0.995 1214 S CB 0.872 63.913 63.200 -0.265 0.000 0.912 1214 S HN 0.484 nan 8.310 nan 0.000 0.568 1215 P HA -0.006 nan 4.420 nan 0.000 0.220 1215 P C 0.475 177.758 177.300 -0.029 0.000 1.148 1215 P CA 1.080 64.166 63.100 -0.023 0.000 0.803 1215 P CB -0.054 31.640 31.700 -0.011 0.000 0.782 1216 E N -1.516 118.661 120.200 -0.038 0.000 2.476 1216 E HA 0.264 4.613 4.350 -0.001 0.000 0.191 1216 E C 1.312 177.892 176.600 -0.033 0.000 1.064 1216 E CA 0.515 56.892 56.400 -0.038 0.000 0.866 1216 E CB -0.849 28.823 29.700 -0.045 0.000 0.952 1216 E HN 0.119 nan 8.360 nan 0.000 0.492 1217 G N 0.621 109.408 108.800 -0.022 0.000 2.132 1217 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.234 1217 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.234 1217 G C 0.316 175.245 174.900 0.050 0.000 0.989 1217 G CA 0.408 45.515 45.100 0.011 0.000 0.676 1217 G HN 0.323 nan 8.290 nan 0.000 0.522 1218 S N -0.344 115.337 115.700 -0.031 0.000 2.480 1218 S HA 0.674 5.143 4.470 -0.001 0.000 0.286 1218 S C 0.354 174.838 174.600 -0.193 0.000 1.180 1218 S CA -0.636 57.508 58.200 -0.093 0.000 1.075 1218 S CB 1.089 64.186 63.200 -0.171 0.000 0.996 1218 S HN 1.155 nan 8.310 nan 0.000 0.487 1219 L N 5.824 126.958 121.223 -0.148 0.000 2.453 1219 L HA 0.321 4.661 4.340 -0.001 0.000 0.272 1219 L C 1.060 177.746 176.870 -0.307 0.000 1.182 1219 L CA 0.683 55.312 54.840 -0.352 0.000 0.858 1219 L CB 0.421 42.305 42.059 -0.291 0.000 1.120 1219 L HN 0.839 nan 8.230 nan 0.000 0.474 1220 H N 1.318 120.255 119.070 -0.221 0.000 2.422 1220 H HA 0.114 4.669 4.556 -0.000 0.000 0.303 1220 H C 0.212 175.546 175.328 0.010 0.000 1.033 1220 H CA 1.058 57.057 56.048 -0.081 0.000 1.335 1220 H CB 0.103 29.778 29.762 -0.146 0.000 1.458 1220 H HN 0.682 nan 8.280 nan 0.000 0.556 1221 T N 0.526 115.135 114.554 0.092 0.000 2.775 1221 T HA 0.311 4.661 4.350 -0.001 0.000 0.287 1221 T C 0.802 175.538 174.700 0.060 0.000 0.909 1221 T CA -0.408 61.748 62.100 0.093 0.000 1.081 1221 T CB 0.453 69.358 68.868 0.061 0.000 0.891 1221 T HN 0.224 nan 8.240 nan 0.000 0.544 1222 R N 1.972 122.541 120.500 0.116 0.000 2.535 1222 R HA 0.407 4.746 4.340 -0.001 0.000 0.323 1222 R C 0.898 177.313 176.300 0.191 0.000 0.979 1222 R CA -0.416 55.761 56.100 0.129 0.000 1.120 1222 R CB 1.238 31.628 30.300 0.150 0.000 1.306 1222 R HN 0.771 nan 8.270 nan 0.000 0.540 1223 G N 0.300 109.221 108.800 0.201 0.000 2.682 1223 G HA2 0.231 4.190 3.960 -0.001 0.000 0.290 1223 G HA3 0.231 4.190 3.960 -0.001 0.000 0.290 1223 G C -2.510 172.544 174.900 0.257 0.000 1.425 1223 G CA -0.918 44.331 45.100 0.248 0.000 0.807 1223 G HN -0.296 nan 8.290 nan 0.000 0.482 1224 P HA -0.073 nan 4.420 nan 0.000 0.230 1224 P C 1.705 179.029 177.300 0.041 0.000 1.158 1224 P CA 1.565 64.718 63.100 0.089 0.000 0.769 1224 P CB 0.331 32.120 31.700 0.149 0.000 0.807 1225 S N 0.017 115.747 115.700 0.051 0.000 2.406 1225 S HA -0.090 4.380 4.470 -0.001 0.000 0.228 1225 S C 1.867 176.478 174.600 0.018 0.000 1.020 1225 S CA 1.855 60.061 58.200 0.011 0.000 0.965 1225 S CB -1.667 61.517 63.200 -0.026 0.000 0.798 1225 S HN 0.330 nan 8.310 nan 0.000 0.488 1226 T N -3.653 110.934 114.554 0.055 0.000 2.971 1226 T HA 0.276 4.626 4.350 -0.001 0.000 0.252 1226 T C 0.006 174.739 174.700 0.054 0.000 1.022 1226 T CA -0.380 61.758 62.100 0.063 0.000 0.980 1226 T CB -0.386 68.550 68.868 0.114 0.000 1.044 1226 T HN 0.354 nan 8.240 nan 0.000 0.501 1227 Y N 3.097 123.359 120.300 -0.065 0.000 2.369 1227 Y HA 0.524 5.074 4.550 -0.000 0.000 0.337 1227 Y C -0.801 174.989 175.900 -0.183 0.000 0.961 1227 Y CA -1.589 56.440 58.100 -0.118 0.000 1.186 1227 Y CB 0.833 39.237 38.460 -0.094 0.000 1.139 1227 Y HN -0.135 nan 8.280 nan 0.000 0.494 1228 K N 8.782 128.898 120.400 -0.473 0.000 2.347 1228 K HA 0.312 4.632 4.320 -0.001 0.000 0.262 1228 K C -0.406 175.942 176.600 -0.420 0.000 1.052 1228 K CA -0.387 55.694 56.287 -0.343 0.000 0.946 1228 K CB 0.580 32.955 32.500 -0.209 0.000 1.220 1228 K HN 0.792 nan 8.250 nan 0.000 0.450 1229 I N -0.887 119.468 120.570 -0.358 0.000 2.834 1229 I HA 0.433 4.603 4.170 -0.001 0.000 0.305 1229 I C -2.194 173.856 176.117 -0.111 0.000 1.008 1229 I CA -2.746 58.403 61.300 -0.252 0.000 1.273 1229 I CB 0.392 38.273 38.000 -0.199 0.000 1.432 1229 I HN 0.141 nan 8.210 nan 0.000 0.557 1230 P HA -0.004 nan 4.420 nan 0.000 0.261 1230 P C -0.640 176.695 177.300 0.058 0.000 1.165 1230 P CA 0.446 63.558 63.100 0.020 0.000 0.759 1230 P CB 0.441 32.198 31.700 0.095 0.000 0.772 1231 A N 2.731 125.498 122.820 -0.089 0.000 2.452 1231 A HA 0.505 4.825 4.320 -0.001 0.000 0.285 1231 A C 0.778 177.901 177.584 -0.768 0.000 1.209 1231 A CA -0.398 51.516 52.037 -0.206 0.000 0.940 1231 A CB -0.178 18.805 19.000 -0.029 0.000 1.440 1231 A HN 0.403 nan 8.150 nan 0.000 0.480 1232 F N 0.087 119.579 119.950 -0.762 0.000 2.102 1232 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 1232 F C 2.512 178.152 175.800 -0.266 0.000 1.105 1232 F CA 2.387 59.958 58.000 -0.716 0.000 1.239 1232 F CB -0.281 38.644 39.000 -0.125 0.000 0.991 1232 F HN 0.593 nan 8.300 nan 0.000 0.474 1233 G N -1.882 106.963 108.800 0.074 0.000 2.920 1233 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.208 1233 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.208 1233 G C 1.197 176.122 174.900 0.041 0.000 1.159 1233 G CA 0.505 45.667 45.100 0.104 0.000 0.784 1233 G HN 0.280 nan 8.290 nan 0.000 0.535 1234 S N 0.081 115.759 115.700 -0.037 0.000 2.634 1234 S HA 0.265 4.734 4.470 -0.001 0.000 0.221 1234 S C 0.569 175.181 174.600 0.020 0.000 0.952 1234 S CA -0.375 57.803 58.200 -0.036 0.000 0.930 1234 S CB -0.295 62.869 63.200 -0.060 0.000 0.780 1234 S HN 0.586 nan 8.310 nan 0.000 0.498 1235 I N -2.039 118.570 120.570 0.065 0.000 2.648 1235 I HA 0.587 4.756 4.170 -0.001 0.000 0.304 1235 I C -3.110 173.057 176.117 0.084 0.000 1.009 1235 I CA -3.170 58.214 61.300 0.140 0.000 1.114 1235 I CB 0.425 38.603 38.000 0.297 0.000 1.293 1235 I HN -0.307 nan 8.210 nan 0.000 0.449 1236 P HA 0.040 nan 4.420 nan 0.000 0.257 1236 P C 0.724 178.031 177.300 0.011 0.000 1.153 1236 P CA 0.568 63.586 63.100 -0.137 0.000 0.762 1236 P CB 0.271 31.643 31.700 -0.546 0.000 0.743 1237 I N 1.768 122.363 120.570 0.041 0.000 2.567 1237 I HA -0.162 4.007 4.170 -0.001 0.000 0.257 1237 I C 1.033 177.206 176.117 0.093 0.000 1.184 1237 I CA 1.471 62.824 61.300 0.088 0.000 1.451 1237 I CB -0.149 37.892 38.000 0.068 0.000 1.089 1237 I HN 0.419 nan 8.210 nan 0.000 0.441 1238 E N 0.569 120.800 120.200 0.053 0.000 2.518 1238 E HA 0.216 4.565 4.350 -0.001 0.000 0.240 1238 E C -1.256 175.386 176.600 0.071 0.000 0.996 1238 E CA -0.510 55.932 56.400 0.071 0.000 0.768 1238 E CB 0.992 30.712 29.700 0.034 0.000 1.329 1238 E HN -0.080 nan 8.360 nan 0.000 0.408 1239 F N 2.549 122.511 119.950 0.020 0.000 2.404 1239 F HA 0.395 4.921 4.527 -0.001 0.000 0.358 1239 F C -0.098 175.688 175.800 -0.022 0.000 1.120 1239 F CA -0.620 57.368 58.000 -0.019 0.000 1.144 1239 F CB 0.682 39.687 39.000 0.008 0.000 1.133 1239 F HN 0.239 nan 8.300 nan 0.000 0.495 1240 R N 3.699 124.384 120.500 0.308 0.000 2.451 1240 R HA 0.664 5.003 4.340 -0.001 0.000 0.307 1240 R C -1.590 174.790 176.300 0.133 0.000 0.965 1240 R CA -0.601 55.591 56.100 0.154 0.000 0.865 1240 R CB 1.972 32.314 30.300 0.070 0.000 1.174 1240 R HN 0.370 nan 8.270 nan 0.000 0.455 1241 V N 1.666 121.628 119.914 0.081 0.000 2.604 1241 V HA 0.618 4.738 4.120 -0.001 0.000 0.305 1241 V C -0.425 175.696 176.094 0.045 0.000 1.043 1241 V CA -0.743 61.585 62.300 0.047 0.000 0.888 1241 V CB 2.154 33.970 31.823 -0.011 0.000 0.995 1241 V HN 0.741 nan 8.190 nan 0.000 0.429 1242 S N 4.417 120.144 115.700 0.045 0.000 2.548 1242 S HA 0.699 5.169 4.470 -0.001 0.000 0.276 1242 S C -0.871 173.765 174.600 0.060 0.000 1.129 1242 S CA -0.631 57.599 58.200 0.049 0.000 0.931 1242 S CB 1.624 64.841 63.200 0.027 0.000 1.068 1242 S HN 0.550 nan 8.310 nan 0.000 0.480 1243 L N 2.799 124.071 121.223 0.081 0.000 2.272 1243 L HA 0.456 4.796 4.340 -0.001 0.000 0.289 1243 L C -0.288 176.624 176.870 0.069 0.000 1.032 1243 L CA -1.005 53.884 54.840 0.082 0.000 0.810 1243 L CB 0.816 42.938 42.059 0.106 0.000 1.205 1243 L HN 0.502 nan 8.230 nan 0.000 0.422 1244 L N 4.842 126.103 121.223 0.064 0.000 2.667 1244 L HA -0.028 4.311 4.340 -0.001 0.000 0.278 1244 L C 0.606 177.506 176.870 0.050 0.000 1.217 1244 L CA 0.895 55.767 54.840 0.054 0.000 0.935 1244 L CB -0.103 41.993 42.059 0.062 0.000 1.193 1244 L HN 0.516 nan 8.230 nan 0.000 0.493 1245 R N 4.104 124.626 120.500 0.037 0.000 2.577 1245 R HA 0.148 4.488 4.340 -0.001 0.000 0.269 1245 R C -0.087 176.231 176.300 0.030 0.000 1.084 1245 R CA -0.497 55.623 56.100 0.032 0.000 1.163 1245 R CB 0.295 30.606 30.300 0.018 0.000 1.100 1245 R HN 0.704 nan 8.270 nan 0.000 0.547 1246 D N 0.527 120.943 120.400 0.027 0.000 2.755 1246 D HA -0.157 4.483 4.640 -0.001 0.000 0.227 1246 D C -0.247 176.069 176.300 0.026 0.000 1.211 1246 D CA 0.988 55.002 54.000 0.023 0.000 0.663 1246 D CB -1.012 39.799 40.800 0.019 0.000 0.983 1246 D HN 0.675 nan 8.370 nan 0.000 0.407 1247 C N -1.285 118.032 119.300 0.029 0.000 3.359 1247 C HA 0.350 4.809 4.460 -0.001 0.000 0.194 1247 C C -2.267 172.735 174.990 0.019 0.000 1.659 1247 C CA -1.816 57.222 59.018 0.033 0.000 1.338 1247 C CB 0.399 28.168 27.740 0.049 0.000 2.109 1247 C HN 0.140 nan 8.230 nan 0.000 0.518 1248 P HA 0.050 nan 4.420 nan 0.000 0.265 1248 P C -0.330 176.946 177.300 -0.042 0.000 1.222 1248 P CA 0.907 63.999 63.100 -0.013 0.000 0.767 1248 P CB 0.580 32.276 31.700 -0.005 0.000 0.801 1249 N N 3.653 122.299 118.700 -0.090 0.000 3.298 1249 N HA 0.005 4.745 4.740 -0.001 0.000 0.292 1249 N C 1.145 176.543 175.510 -0.187 0.000 1.271 1249 N CA -0.410 52.533 53.050 -0.178 0.000 1.184 1249 N CB 0.052 38.340 38.487 -0.332 0.000 1.452 1249 N HN 0.086 nan 8.380 nan 0.000 0.534 1250 K N 1.134 121.465 120.400 -0.114 0.000 2.090 1250 K HA -0.356 3.964 4.320 -0.001 0.000 0.218 1250 K C 1.355 177.884 176.600 -0.118 0.000 1.055 1250 K CA 2.107 58.337 56.287 -0.094 0.000 0.941 1250 K CB -0.674 31.792 32.500 -0.056 0.000 0.722 1250 K HN 0.574 nan 8.250 nan 0.000 0.458 1251 R N 0.928 121.351 120.500 -0.128 0.000 2.395 1251 R HA 0.197 4.536 4.340 -0.001 0.000 0.203 1251 R C -0.092 176.220 176.300 0.020 0.000 1.076 1251 R CA 0.648 56.717 56.100 -0.051 0.000 1.059 1251 R CB -0.296 29.913 30.300 -0.152 0.000 0.860 1251 R HN 0.277 nan 8.270 nan 0.000 0.476 1252 A N 0.865 123.595 122.820 -0.151 0.000 2.454 1252 A HA 0.382 4.701 4.320 -0.001 0.000 0.302 1252 A C -0.260 177.187 177.584 -0.229 0.000 1.079 1252 A CA -0.964 50.974 52.037 -0.165 0.000 0.731 1252 A CB 1.110 19.956 19.000 -0.257 0.000 1.299 1252 A HN 0.176 nan 8.150 nan 0.000 0.413 1253 I N 2.265 122.665 120.570 -0.284 0.000 3.353 1253 I HA -0.158 4.011 4.170 -0.001 0.000 0.323 1253 I C -0.197 175.793 176.117 -0.211 0.000 1.254 1253 I CA 1.421 62.498 61.300 -0.372 0.000 1.395 1253 I CB -1.442 36.383 38.000 -0.293 0.000 1.387 1253 I HN 0.683 nan 8.210 nan 0.000 0.504 1254 Y N 3.846 124.020 120.300 -0.211 0.000 3.168 1254 Y HA -0.247 4.303 4.550 -0.000 0.000 0.207 1254 Y C 1.342 177.171 175.900 -0.119 0.000 1.280 1254 Y CA 0.923 58.934 58.100 -0.149 0.000 1.235 1254 Y CB -2.110 36.285 38.460 -0.108 0.000 1.370 1254 Y HN 0.831 nan 8.280 nan 0.000 0.537 1255 A N -0.752 122.055 122.820 -0.022 0.000 2.745 1255 A HA -0.075 4.244 4.320 -0.001 0.000 0.296 1255 A C 0.950 178.500 177.584 -0.058 0.000 1.500 1255 A CA 1.188 53.192 52.037 -0.055 0.000 0.766 1255 A CB -1.664 17.324 19.000 -0.020 0.000 1.030 1255 A HN 1.553 nan 8.150 nan 0.000 0.489 1256 S N -1.400 114.253 115.700 -0.078 0.000 2.786 1256 S HA 0.914 5.384 4.470 -0.001 0.000 0.307 1256 S C -0.286 174.243 174.600 -0.119 0.000 1.121 1256 S CA -0.436 57.729 58.200 -0.059 0.000 0.975 1256 S CB 1.804 64.994 63.200 -0.016 0.000 1.220 1256 S HN 0.609 nan 8.310 nan 0.000 0.550 1257 K N -0.557 119.825 120.400 -0.029 0.000 2.508 1257 K HA 0.670 4.990 4.320 -0.001 0.000 0.260 1257 K C -0.744 175.955 176.600 0.165 0.000 0.949 1257 K CA -0.846 55.486 56.287 0.074 0.000 0.834 1257 K CB 2.270 34.853 32.500 0.139 0.000 1.365 1257 K HN 0.863 nan 8.250 nan 0.000 0.437 1258 A N 0.634 123.632 122.820 0.298 0.000 2.448 1258 A HA 0.231 4.550 4.320 -0.001 0.000 0.239 1258 A C 0.520 178.140 177.584 0.059 0.000 1.080 1258 A CA 0.083 52.196 52.037 0.126 0.000 0.779 1258 A CB 0.546 19.588 19.000 0.070 0.000 1.026 1258 A HN 0.539 nan 8.150 nan 0.000 0.499 1259 V N 1.211 121.126 119.914 0.001 0.000 3.623 1259 V HA 0.276 4.396 4.120 -0.001 0.000 0.283 1259 V C 1.270 177.335 176.094 -0.047 0.000 1.643 1259 V CA 1.119 63.410 62.300 -0.016 0.000 1.121 1259 V CB -0.127 31.700 31.823 0.007 0.000 0.933 1259 V HN 1.161 nan 8.190 nan 0.000 0.420 1260 G N 0.102 108.861 108.800 -0.068 0.000 2.408 1260 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.215 1260 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.215 1260 G C 1.108 175.947 174.900 -0.103 0.000 1.156 1260 G CA 1.224 46.290 45.100 -0.058 0.000 0.793 1260 G HN 0.594 nan 8.290 nan 0.000 0.535 1261 E N 0.131 120.174 120.200 -0.261 0.000 2.175 1261 E HA 0.033 4.383 4.350 -0.001 0.000 0.195 1261 E C -0.360 175.876 176.600 -0.606 0.000 0.934 1261 E CA -0.114 56.027 56.400 -0.431 0.000 0.870 1261 E CB -0.010 29.310 29.700 -0.634 0.000 0.838 1261 E HN 0.193 nan 8.360 nan 0.000 0.474 1262 P HA -0.187 nan 4.420 nan 0.000 0.219 1262 P C -1.659 175.600 177.300 -0.069 0.000 1.161 1262 P CA 2.143 64.973 63.100 -0.450 0.000 0.909 1262 P CB -0.921 30.672 31.700 -0.177 0.000 0.793 1263 P HA -0.135 nan 4.420 nan 0.000 0.221 1263 P C 1.567 178.966 177.300 0.166 0.000 1.145 1263 P CA 0.905 64.079 63.100 0.124 0.000 0.795 1263 P CB -0.478 31.291 31.700 0.116 0.000 0.775 1264 L N -1.968 119.298 121.223 0.073 0.000 2.093 1264 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 1264 L C 2.146 179.080 176.870 0.108 0.000 1.085 1264 L CA 1.372 56.239 54.840 0.045 0.000 0.755 1264 L CB -0.562 41.482 42.059 -0.025 0.000 0.904 1264 L HN -0.105 nan 8.230 nan 0.000 0.435 1265 F N 0.098 120.093 119.950 0.075 0.000 2.293 1265 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 1265 F C 1.869 177.787 175.800 0.198 0.000 1.086 1265 F CA 1.089 59.199 58.000 0.184 0.000 1.375 1265 F CB -0.243 38.861 39.000 0.174 0.000 1.045 1265 F HN -0.032 nan 8.300 nan 0.000 0.516 1266 L N 0.119 121.396 121.223 0.090 0.000 2.447 1266 L HA -0.182 4.158 4.340 -0.001 0.000 0.225 1266 L C 2.398 179.290 176.870 0.037 0.000 1.148 1266 L CA 0.821 55.711 54.840 0.083 0.000 0.808 1266 L CB -1.212 41.043 42.059 0.328 0.000 0.928 1266 L HN 0.258 nan 8.230 nan 0.000 0.448 1267 A N -1.251 121.405 122.820 -0.273 0.000 2.239 1267 A HA -0.075 4.245 4.320 -0.001 0.000 0.209 1267 A C 2.432 179.879 177.584 -0.228 0.000 1.171 1267 A CA 1.014 52.657 52.037 -0.657 0.000 0.768 1267 A CB -0.224 18.281 19.000 -0.826 0.000 0.790 1267 A HN 0.289 nan 8.150 nan 0.000 0.478 1268 S N 0.523 115.982 115.700 -0.402 0.000 2.368 1268 S HA -0.178 4.292 4.470 -0.001 0.000 0.225 1268 S C 2.442 176.880 174.600 -0.269 0.000 1.030 1268 S CA 1.802 59.582 58.200 -0.699 0.000 0.999 1268 S CB -0.383 62.112 63.200 -1.175 0.000 0.844 1268 S HN 0.969 nan 8.310 nan 0.000 0.459 1269 S N 1.237 116.880 115.700 -0.095 0.000 2.428 1269 S HA -0.149 4.321 4.470 -0.001 0.000 0.240 1269 S C 1.683 176.325 174.600 0.071 0.000 1.036 1269 S CA 1.451 59.689 58.200 0.063 0.000 1.009 1269 S CB -0.744 62.515 63.200 0.099 0.000 0.803 1269 S HN 0.585 nan 8.310 nan 0.000 0.486 1270 I N -0.431 120.163 120.570 0.040 0.000 2.400 1270 I HA 0.041 4.211 4.170 -0.001 0.000 0.248 1270 I C 2.268 178.379 176.117 -0.010 0.000 1.109 1270 I CA 0.983 62.315 61.300 0.053 0.000 1.425 1270 I CB -0.367 37.683 38.000 0.083 0.000 1.094 1270 I HN 0.272 nan 8.210 nan 0.000 0.425 1271 F N 1.839 121.620 119.950 -0.281 0.000 2.069 1271 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 1271 F C 1.968 177.546 175.800 -0.370 0.000 1.113 1271 F CA 1.839 59.576 58.000 -0.438 0.000 1.214 1271 F CB -0.410 38.083 39.000 -0.845 0.000 0.978 1271 F HN -0.072 nan 8.300 nan 0.000 0.474 1272 F N 0.119 120.041 119.950 -0.046 0.000 2.748 1272 F HA 0.157 4.684 4.527 -0.001 0.000 0.299 1272 F C 2.269 178.015 175.800 -0.090 0.000 1.154 1272 F CA 0.527 58.458 58.000 -0.114 0.000 1.446 1272 F CB -1.401 37.587 39.000 -0.021 0.000 1.112 1272 F HN 0.085 nan 8.300 nan 0.000 0.584 1273 A N -0.251 122.612 122.820 0.070 0.000 1.975 1273 A HA 0.051 4.371 4.320 -0.001 0.000 0.215 1273 A C 2.195 179.777 177.584 -0.002 0.000 1.170 1273 A CA 0.710 52.781 52.037 0.057 0.000 0.656 1273 A CB -0.635 18.400 19.000 0.058 0.000 0.821 1273 A HN 0.327 nan 8.150 nan 0.000 0.449 1274 I N -0.675 119.839 120.570 -0.093 0.000 2.439 1274 I HA -0.172 3.998 4.170 -0.001 0.000 0.251 1274 I C 2.424 178.479 176.117 -0.103 0.000 1.139 1274 I CA 1.442 62.651 61.300 -0.151 0.000 1.438 1274 I CB -0.082 37.735 38.000 -0.306 0.000 1.085 1274 I HN 0.258 nan 8.210 nan 0.000 0.427 1275 K N 1.464 121.788 120.400 -0.125 0.000 2.032 1275 K HA -0.215 4.105 4.320 -0.001 0.000 0.209 1275 K C 1.549 178.217 176.600 0.114 0.000 1.048 1275 K CA 1.879 58.164 56.287 -0.004 0.000 0.927 1275 K CB -0.162 32.356 32.500 0.030 0.000 0.712 1275 K HN 0.140 nan 8.250 nan 0.000 0.441 1276 D N -0.011 120.435 120.400 0.077 0.000 2.088 1276 D HA -0.135 4.505 4.640 -0.001 0.000 0.191 1276 D C 1.818 178.155 176.300 0.062 0.000 0.992 1276 D CA 1.907 55.953 54.000 0.076 0.000 0.831 1276 D CB -0.685 40.154 40.800 0.066 0.000 0.973 1276 D HN 0.323 nan 8.370 nan 0.000 0.447 1277 A N 0.440 123.288 122.820 0.047 0.000 1.997 1277 A HA -0.217 4.103 4.320 -0.001 0.000 0.221 1277 A C 2.338 179.943 177.584 0.034 0.000 1.172 1277 A CA 1.283 53.347 52.037 0.046 0.000 0.645 1277 A CB -0.852 18.173 19.000 0.042 0.000 0.813 1277 A HN 0.291 nan 8.150 nan 0.000 0.454 1278 I N -1.945 118.647 120.570 0.038 0.000 2.406 1278 I HA -0.146 4.024 4.170 -0.001 0.000 0.249 1278 I C 2.671 178.735 176.117 -0.088 0.000 1.122 1278 I CA 1.213 62.510 61.300 -0.005 0.000 1.431 1278 I CB -0.271 37.769 38.000 0.066 0.000 1.087 1278 I HN 0.333 nan 8.210 nan 0.000 0.424 1279 R N 1.191 121.692 120.500 0.001 0.000 2.075 1279 R HA -0.118 4.221 4.340 -0.001 0.000 0.232 1279 R C 2.397 178.676 176.300 -0.035 0.000 1.126 1279 R CA 1.430 57.515 56.100 -0.025 0.000 0.963 1279 R CB -0.200 30.163 30.300 0.104 0.000 0.858 1279 R HN 0.323 nan 8.270 nan 0.000 0.435 1280 A N 0.399 123.216 122.820 -0.005 0.000 1.978 1280 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 1280 A C 2.235 179.798 177.584 -0.035 0.000 1.170 1280 A CA 1.749 53.782 52.037 -0.007 0.000 0.636 1280 A CB -0.610 18.400 19.000 0.017 0.000 0.810 1280 A HN 0.518 nan 8.150 nan 0.000 0.448 1281 A N -0.496 122.296 122.820 -0.047 0.000 1.930 1281 A HA -0.020 4.300 4.320 -0.001 0.000 0.215 1281 A C 2.186 179.726 177.584 -0.074 0.000 1.176 1281 A CA 1.140 53.137 52.037 -0.067 0.000 0.632 1281 A CB -0.335 18.641 19.000 -0.041 0.000 0.819 1281 A HN 0.509 nan 8.150 nan 0.000 0.445 1282 R N -0.341 120.096 120.500 -0.104 0.000 2.148 1282 R HA 0.005 4.345 4.340 -0.001 0.000 0.227 1282 R C 2.135 178.415 176.300 -0.032 0.000 1.103 1282 R CA 0.953 56.990 56.100 -0.103 0.000 0.983 1282 R CB -0.325 29.836 30.300 -0.233 0.000 0.874 1282 R HN 0.477 nan 8.270 nan 0.000 0.451 1283 A N 0.636 123.434 122.820 -0.036 0.000 2.168 1283 A HA -0.103 4.217 4.320 -0.001 0.000 0.215 1283 A C 1.421 178.998 177.584 -0.012 0.000 1.152 1283 A CA 0.846 52.873 52.037 -0.016 0.000 0.716 1283 A CB 0.032 19.023 19.000 -0.015 0.000 0.794 1283 A HN 0.304 nan 8.150 nan 0.000 0.465 1284 Q N -0.976 118.816 119.800 -0.014 0.000 2.198 1284 Q HA 0.100 4.440 4.340 -0.001 0.000 0.209 1284 Q C -0.332 175.687 176.000 0.032 0.000 0.848 1284 Q CA -0.098 55.693 55.803 -0.020 0.000 0.974 1284 Q CB 0.328 29.022 28.738 -0.072 0.000 1.115 1284 Q HN 0.767 nan 8.270 nan 0.000 0.494 1285 H N -0.504 118.532 119.070 -0.057 0.000 2.595 1285 H HA 0.174 4.730 4.556 -0.001 0.000 0.313 1285 H C 0.912 176.220 175.328 -0.033 0.000 1.023 1285 H CA -0.202 55.822 56.048 -0.040 0.000 1.218 1285 H CB 1.264 31.006 29.762 -0.034 0.000 1.403 1285 H HN 0.302 nan 8.280 nan 0.000 0.477 1286 G N 4.479 113.078 108.800 -0.335 0.000 2.808 1286 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.225 1286 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.225 1286 G C 0.152 174.927 174.900 -0.207 0.000 1.210 1286 G CA 0.981 45.926 45.100 -0.258 0.000 0.777 1286 G HN 0.698 nan 8.290 nan 0.000 0.640 1287 D N 0.629 120.853 120.400 -0.294 0.000 2.426 1287 D HA 0.171 4.811 4.640 -0.001 0.000 0.261 1287 D C 1.246 177.537 176.300 -0.014 0.000 1.245 1287 D CA 0.265 54.197 54.000 -0.112 0.000 0.917 1287 D CB 0.643 41.402 40.800 -0.069 0.000 1.123 1287 D HN 0.305 nan 8.370 nan 0.000 0.508 1288 N N 3.545 122.238 118.700 -0.011 0.000 2.020 1288 N HA -0.328 4.412 4.740 -0.001 0.000 0.199 1288 N C 0.759 176.290 175.510 0.035 0.000 1.059 1288 N CA 2.468 55.525 53.050 0.012 0.000 0.877 1288 N CB -0.206 38.286 38.487 0.009 0.000 1.078 1288 N HN 0.506 nan 8.380 nan 0.000 0.452 1289 A N -0.823 122.020 122.820 0.037 0.000 2.822 1289 A HA -0.262 4.058 4.320 -0.001 0.000 0.287 1289 A C 0.208 177.831 177.584 0.065 0.000 1.479 1289 A CA 1.952 54.019 52.037 0.050 0.000 0.779 1289 A CB -2.453 16.582 19.000 0.060 0.000 1.022 1289 A HN 1.044 nan 8.150 nan 0.000 0.532 1290 K N -2.471 117.967 120.400 0.064 0.000 6.750 1290 K HA -0.196 4.123 4.320 -0.001 0.000 0.600 1290 K C 0.608 177.272 176.600 0.106 0.000 2.563 1290 K CA 1.138 57.478 56.287 0.088 0.000 2.004 1290 K CB -0.574 31.993 32.500 0.111 0.000 2.501 1290 K HN 1.316 nan 8.250 nan 0.000 0.183 1291 Q N 4.420 124.290 119.800 0.117 0.000 2.396 1291 Q HA 0.070 4.410 4.340 -0.001 0.000 0.220 1291 Q C 0.717 176.861 176.000 0.241 0.000 0.900 1291 Q CA 0.834 56.719 55.803 0.136 0.000 0.925 1291 Q CB 0.327 29.122 28.738 0.095 0.000 1.065 1291 Q HN 0.601 nan 8.270 nan 0.000 0.535 1292 L N 3.551 124.901 121.223 0.212 0.000 2.449 1292 L HA 0.371 4.711 4.340 -0.001 0.000 0.255 1292 L C -0.074 176.936 176.870 0.233 0.000 1.167 1292 L CA -0.925 54.031 54.840 0.193 0.000 1.090 1292 L CB -0.358 41.772 42.059 0.117 0.000 1.385 1292 L HN 0.080 nan 8.230 nan 0.000 0.411 1293 F N -0.444 119.552 119.950 0.077 0.000 2.408 1293 F HA 0.456 4.983 4.527 -0.001 0.000 0.303 1293 F C 0.486 176.385 175.800 0.166 0.000 1.268 1293 F CA -1.011 57.051 58.000 0.102 0.000 1.218 1293 F CB 0.380 39.428 39.000 0.080 0.000 1.283 1293 F HN 0.140 nan 8.300 nan 0.000 0.545 1294 Q N 1.720 121.603 119.800 0.138 0.000 2.314 1294 Q HA 0.447 4.787 4.340 -0.001 0.000 0.259 1294 Q C -1.714 174.328 176.000 0.070 0.000 0.951 1294 Q CA -0.605 55.262 55.803 0.107 0.000 0.909 1294 Q CB 1.488 30.328 28.738 0.170 0.000 1.236 1294 Q HN 0.734 nan 8.270 nan 0.000 0.444 1295 L N 4.583 125.848 121.223 0.070 0.000 2.417 1295 L HA 0.500 4.840 4.340 -0.001 0.000 0.259 1295 L C -1.335 175.664 176.870 0.215 0.000 1.023 1295 L CA -0.258 54.643 54.840 0.101 0.000 0.901 1295 L CB 1.103 43.119 42.059 -0.071 0.000 1.227 1295 L HN 0.620 nan 8.230 nan 0.000 0.454 1296 D N 1.361 121.869 120.400 0.180 0.000 2.358 1296 D HA 0.192 4.832 4.640 -0.001 0.000 0.244 1296 D C -0.327 176.105 176.300 0.220 0.000 1.163 1296 D CA 0.053 54.153 54.000 0.167 0.000 0.945 1296 D CB 1.666 42.591 40.800 0.208 0.000 1.152 1296 D HN 0.410 nan 8.370 nan 0.000 0.451 1297 S N 0.481 116.229 115.700 0.079 0.000 2.508 1297 S HA 0.449 4.919 4.470 -0.001 0.000 0.284 1297 S C -2.512 172.115 174.600 0.046 0.000 1.192 1297 S CA -1.417 56.788 58.200 0.009 0.000 1.070 1297 S CB 1.095 64.161 63.200 -0.224 0.000 1.004 1297 S HN 0.203 nan 8.310 nan 0.000 0.493 1298 P HA 0.265 nan 4.420 nan 0.000 0.281 1298 P C -1.262 176.144 177.300 0.175 0.000 1.249 1298 P CA -0.590 62.574 63.100 0.106 0.000 0.810 1298 P CB 0.876 32.598 31.700 0.037 0.000 1.008 1299 A N 2.377 125.354 122.820 0.261 0.000 2.981 1299 A HA 0.317 4.637 4.320 -0.001 0.000 0.280 1299 A C 1.051 178.659 177.584 0.041 0.000 1.743 1299 A CA -0.138 51.989 52.037 0.150 0.000 1.430 1299 A CB -1.561 17.477 19.000 0.065 0.000 1.085 1299 A HN 0.612 nan 8.150 nan 0.000 0.597 1300 T N -0.760 113.805 114.554 0.019 0.000 2.698 1300 T HA 0.289 4.639 4.350 -0.001 0.000 0.295 1300 T C -1.695 172.951 174.700 -0.090 0.000 1.007 1300 T CA -1.083 61.000 62.100 -0.028 0.000 0.980 1300 T CB 0.122 68.965 68.868 -0.043 0.000 1.036 1300 T HN 0.168 nan 8.240 nan 0.000 0.526 1301 P HA -0.064 nan 4.420 nan 0.000 0.216 1301 P C 1.630 178.632 177.300 -0.497 0.000 1.153 1301 P CA 0.952 63.972 63.100 -0.133 0.000 0.848 1301 P CB 0.041 31.739 31.700 -0.003 0.000 0.787 1302 E N 0.671 120.321 120.200 -0.916 0.000 2.013 1302 E HA -0.267 4.083 4.350 -0.001 0.000 0.202 1302 E C 1.828 178.125 176.600 -0.505 0.000 1.018 1302 E CA 1.642 57.223 56.400 -1.365 0.000 0.834 1302 E CB -0.324 28.889 29.700 -0.812 0.000 0.770 1302 E HN 0.084 nan 8.360 nan 0.000 0.459 1303 K N 0.056 120.315 120.400 -0.234 0.000 2.127 1303 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 1303 K C 2.282 178.872 176.600 -0.016 0.000 1.047 1303 K CA 1.635 57.887 56.287 -0.058 0.000 0.927 1303 K CB -0.234 32.276 32.500 0.017 0.000 0.716 1303 K HN 0.327 nan 8.250 nan 0.000 0.450 1304 I N 0.130 120.669 120.570 -0.052 0.000 2.202 1304 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 1304 I C 2.596 178.735 176.117 0.037 0.000 1.091 1304 I CA 0.860 62.159 61.300 -0.002 0.000 1.368 1304 I CB -0.174 37.814 38.000 -0.021 0.000 1.058 1304 I HN 0.091 nan 8.210 nan 0.000 0.410 1305 R N 1.828 122.359 120.500 0.052 0.000 2.088 1305 R HA -0.181 4.159 4.340 -0.001 0.000 0.232 1305 R C 2.030 178.400 176.300 0.116 0.000 1.136 1305 R CA 2.062 58.252 56.100 0.151 0.000 0.926 1305 R CB -0.694 29.840 30.300 0.389 0.000 0.837 1305 R HN 0.252 nan 8.270 nan 0.000 0.429 1306 N N 0.456 119.226 118.700 0.118 0.000 2.096 1306 N HA -0.230 4.510 4.740 -0.001 0.000 0.195 1306 N C 1.517 177.063 175.510 0.061 0.000 1.017 1306 N CA 1.971 55.077 53.050 0.094 0.000 0.870 1306 N CB -0.701 37.837 38.487 0.085 0.000 1.024 1306 N HN 0.450 nan 8.380 nan 0.000 0.434 1307 A N -0.038 122.822 122.820 0.067 0.000 2.019 1307 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 1307 A C 1.321 178.842 177.584 -0.104 0.000 1.164 1307 A CA 0.660 52.718 52.037 0.035 0.000 0.644 1307 A CB -0.475 18.626 19.000 0.170 0.000 0.805 1307 A HN 0.418 nan 8.150 nan 0.000 0.449 1308 C N 2.134 121.411 119.300 -0.039 0.000 3.247 1308 C HA 0.395 4.855 4.460 -0.001 0.000 0.573 1308 C C 0.908 175.865 174.990 -0.054 0.000 1.106 1308 C CA -0.849 58.140 59.018 -0.048 0.000 1.209 1308 C CB -2.560 25.203 27.740 0.038 0.000 1.460 1308 C HN 0.463 nan 8.230 nan 0.000 0.634 1309 V N 1.408 121.252 119.914 -0.117 0.000 2.617 1309 V HA 0.438 4.557 4.120 -0.001 0.000 0.304 1309 V C -0.034 175.812 176.094 -0.412 0.000 1.040 1309 V CA 0.431 62.632 62.300 -0.166 0.000 1.149 1309 V CB 0.254 32.004 31.823 -0.121 0.000 0.914 1309 V HN 0.738 nan 8.190 nan 0.000 0.487 1310 D N 2.539 122.694 120.400 -0.409 0.000 2.946 1310 D HA 0.162 4.802 4.640 -0.001 0.000 0.337 1310 D C 0.921 177.032 176.300 -0.314 0.000 1.332 1310 D CA -0.070 53.566 54.000 -0.606 0.000 0.935 1310 D CB 0.461 41.240 40.800 -0.034 0.000 1.440 1310 D HN 0.403 nan 8.370 nan 0.000 0.540 1311 Q N -0.221 119.408 119.800 -0.285 0.000 2.368 1311 Q HA -0.096 4.244 4.340 -0.001 0.000 0.210 1311 Q C 1.197 176.856 176.000 -0.567 0.000 0.982 1311 Q CA 1.498 57.043 55.803 -0.429 0.000 0.884 1311 Q CB -0.623 27.740 28.738 -0.625 0.000 0.933 1311 Q HN 0.566 nan 8.270 nan 0.000 0.460 1312 F N 1.695 121.546 119.950 -0.165 0.000 2.437 1312 F HA 0.034 4.561 4.527 -0.001 0.000 0.288 1312 F C 2.761 178.483 175.800 -0.130 0.000 1.085 1312 F CA 1.077 58.973 58.000 -0.173 0.000 1.430 1312 F CB -0.586 38.279 39.000 -0.224 0.000 1.120 1312 F HN 0.155 nan 8.300 nan 0.000 0.556 1313 T N -2.932 111.661 114.554 0.066 0.000 2.915 1313 T HA -0.120 4.229 4.350 -0.001 0.000 0.269 1313 T C 1.821 176.514 174.700 -0.011 0.000 1.071 1313 T CA 1.814 63.926 62.100 0.019 0.000 1.132 1313 T CB -0.885 67.984 68.868 0.003 0.000 0.878 1313 T HN 0.152 nan 8.240 nan 0.000 0.479 1314 T N 2.172 116.704 114.554 -0.037 0.000 2.770 1314 T HA 0.146 4.496 4.350 -0.001 0.000 0.263 1314 T C 0.818 175.493 174.700 -0.043 0.000 1.039 1314 T CA 0.719 62.798 62.100 -0.034 0.000 1.142 1314 T CB -0.361 68.488 68.868 -0.032 0.000 0.868 1314 T HN 0.217 nan 8.240 nan 0.000 0.435 1315 L N 2.313 123.498 121.223 -0.064 0.000 2.873 1315 L HA 0.255 4.595 4.340 -0.001 0.000 0.236 1315 L C 0.822 177.659 176.870 -0.056 0.000 1.375 1315 L CA 0.031 54.831 54.840 -0.066 0.000 1.239 1315 L CB -0.495 41.508 42.059 -0.094 0.000 1.603 1315 L HN 0.575 nan 8.230 nan 0.000 0.430 1316 C N -4.841 114.432 119.300 -0.045 0.000 4.063 1316 C HA 0.121 4.581 4.460 -0.001 0.000 0.339 1316 C C 1.362 176.329 174.990 -0.039 0.000 2.703 1316 C CA -0.019 58.968 59.018 -0.051 0.000 1.464 1316 C CB -1.125 26.578 27.740 -0.062 0.000 2.546 1316 C HN 0.209 nan 8.230 nan 0.000 0.434 1317 V N 0.983 120.882 119.914 -0.026 0.000 3.623 1317 V HA 0.232 4.352 4.120 -0.001 0.000 0.271 1317 V C 1.394 177.478 176.094 -0.017 0.000 1.248 1317 V CA 1.303 63.594 62.300 -0.014 0.000 1.156 1317 V CB -1.488 30.333 31.823 -0.003 0.000 0.870 1317 V HN 0.760 nan 8.190 nan 0.000 0.453 1325 K N 0.586 121.001 120.400 0.025 0.000 2.328 1325 K HA 0.011 4.331 4.320 -0.001 0.000 0.096 1325 K C -0.444 176.191 176.600 0.058 0.000 1.620 1325 K CA 0.849 57.156 56.287 0.034 0.000 0.878 1325 K CB -1.257 31.258 32.500 0.026 0.000 2.343 1325 K HN 0.729 nan 8.250 nan 0.000 0.442 1326 S N -0.403 115.336 115.700 0.065 0.000 2.592 1326 S HA 0.225 4.695 4.470 -0.001 0.000 0.271 1326 S C 1.135 175.834 174.600 0.165 0.000 1.326 1326 S CA -0.152 58.112 58.200 0.107 0.000 1.024 1326 S CB 0.679 63.931 63.200 0.087 0.000 0.921 1326 S HN 0.383 nan 8.310 nan 0.000 0.527 1327 W N 3.107 124.407 121.300 0.001 0.000 2.315 1327 W HA -0.151 4.509 4.660 -0.000 0.000 0.323 1327 W C 1.471 178.036 176.519 0.076 0.000 1.233 1327 W CA 2.329 59.681 57.345 0.011 0.000 1.267 1327 W CB -0.832 28.596 29.460 -0.053 0.000 1.160 1327 W HN 0.912 nan 8.180 nan 0.000 0.474 1328 S N -0.842 114.905 115.700 0.078 0.000 2.589 1328 S HA 0.667 5.137 4.470 -0.001 0.000 0.272 1328 S C -0.371 174.231 174.600 0.004 0.000 1.096 1328 S CA -0.202 57.938 58.200 -0.100 0.000 0.985 1328 S CB 1.340 64.472 63.200 -0.112 0.000 1.278 1328 S HN 0.543 nan 8.310 nan 0.000 0.528 1329 V N 0.025 119.953 119.914 0.023 0.000 2.946 1329 V HA 0.410 4.530 4.120 -0.001 0.000 0.258 1329 V C -1.445 174.659 176.094 0.017 0.000 1.726 1329 V CA -0.739 61.567 62.300 0.010 0.000 0.940 1329 V CB 1.934 33.752 31.823 -0.007 0.000 1.309 1329 V HN 1.094 nan 8.190 nan 0.000 0.458 1330 R N 4.608 125.082 120.500 -0.044 0.000 2.316 1330 R HA 0.485 4.825 4.340 -0.001 0.000 0.314 1330 R C -0.352 175.875 176.300 -0.122 0.000 1.069 1330 R CA -0.316 55.718 56.100 -0.109 0.000 0.959 1330 R CB 0.737 30.862 30.300 -0.291 0.000 0.987 1330 R HN 0.654 nan 8.270 nan 0.000 0.446 1331 I N 0.000 120.544 120.570 -0.043 0.000 2.984 1331 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 1331 I CA 0.000 61.261 61.300 -0.065 0.000 1.566 1331 I CB 0.000 37.878 38.000 -0.203 0.000 1.214 1331 I HN 0.000 nan 8.210 nan 0.000 0.494