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 1k83_1_A DATA FIRST_RESID 5 DATA SEQUENCE QYSSAPLRTV KEVQFGLFSP EEVRAISVAK IRFPEXXXXX XXXXKIGGLN DATA SEQUENCE DPRLGSIDRN LKCQTCQEGM NECPGHFGHI DLAKPVFHVG FIAKIKKVCE DATA SEQUENCE CVCMHCGKLL LDEHNELMRQ ALAIKDSKKR FAAIWTLCKT KMVCETDVPS DATA SEQUENCE EDDPTQLVSR GGCGNTQPTI RKDGLKLVGS WKKXXXXXXX XEPELRVLST DATA SEQUENCE EEILNIFKHI SVKDFTSLGF NEVFSRPEWM ILTCLPVPPP PVRXXXXXXX DATA SEQUENCE XXXXXDDLTF KLADILKANI SLETLEHNGA PHHAIEEAES LLQFHVATYM DATA SEQUENCE DNDIAGQXXX XXXXXXXXXS IRARLKGKEG RIXXXXXXXX VDFSARTVIS DATA SEQUENCE GDPNLELDQV GVPKSIAKTL TYPEVVTPYN IDRLTQLVRN GPNEHPGAKY DATA SEQUENCE VIRDSGDRID LRYSKRAGDI QLQYGWKVER HIMDNDPVLF NRQPSLHKMS DATA SEQUENCE MMAHRVKVIP YSTFRLNLSV TSPYNADFDG DEMNLHVPQS EETRAELSQL DATA SEQUENCE CAVPLQIVSP QSNKPCMGIV QDTLCGIRKL TLRDTFIELD QVLNMLYWVP DATA SEQUENCE DWDGVIPTPA IIKPKPLWSG KQILSVAIPN GIHLQRFDEG TTLLSPKDNG DATA SEQUENCE MLIIDGQIIF GVVEKKTVGS SNGGLIHVVT REKGPQVCAK LFGNIQKVVN DATA SEQUENCE FWLLHNGFST GIGDTIADGP TMREITETIA EAKKKVLDVT KEAQANLLTA DATA SEQUENCE KHGMTLRESF EDNVVRFLNE ARDKAGRLAE VNLKDLNNVK QMVMAGSKGS DATA SEQUENCE FINIAQMSAC VGQQSVEGKR IAFGFVDRTL PHFSKDDYSP ESKGFVENSY DATA SEQUENCE LRGLTPQEFF FHAMGGREGL IDTAVKTAET GYIQRRLVKA LEDIMVHYDN DATA SEQUENCE TTRNSLGNVI QFIYGEDGMD AAHIEKQSLD TIGGSDAAFE KRYRVDLLNT DATA SEQUENCE DHTLDPSLLE SGSEILGDLK LQVLLDEEYK QLVKDRKFLR EVFVDGEANW DATA SEQUENCE PLPVNIRRII QNAQQTFHID HTKPSDLTIK DIVLGVKDLQ ENLLVLRGKN DATA SEQUENCE EIIQNAQRDA VTLFCCLLRS RLATRRVLQE YRLTKQAFDW VLSNIEAQFL DATA SEQUENCE RSVVHPGEMV GVLAAQSIGE PATQMTLXXX XXXXXXXKKV TSGVPRLKEI DATA SEQUENCE LNVAKNMKTP SLTVYLEPGH AADQEQAKLI RSAIEHTTLK SVTIASEIYY DATA SEQUENCE DPDPRSTVIP EDEEIIQLHF SXXXXXXXXX XXQQSPWLLR LELDRAAMND DATA SEQUENCE KDLTMGQVGE RIKQTFKNDL FVIWSEDNDE KLIIRCRVVX XXXXXXXXXA DATA SEQUENCE EEDHMLKKIE NTMLENITLR GVENIERVVM MKYDRKVPSP TGEYVKEPEW DATA SEQUENCE VLETDGVNLS EVMTVPGIDP TRIYTNSFID IMEVLGIEAG RAALYKEVYN DATA SEQUENCE VIASDGSYVN YRHMALLVDV MTTQGGLTSV TRHGFNRSNT GALMRCSFEE DATA SEQUENCE TVEILFEAGA SAELDDCRGV SENVILGQMA PIGTGAFDVM IDEESL 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.100 176.000 0.167 0.000 1.003 5 Q CA 0.000 55.859 55.803 0.093 0.000 1.022 5 Q CB 0.000 28.780 28.738 0.070 0.000 1.108 6 Y N 0.854 121.159 120.300 0.009 0.000 2.479 6 Y HA 0.646 5.195 4.550 -0.000 0.000 0.338 6 Y C -1.754 174.152 175.900 0.010 0.000 1.055 6 Y CA -0.061 58.044 58.100 0.009 0.000 1.023 6 Y CB 2.265 40.730 38.460 0.009 0.000 1.287 6 Y HN 0.533 nan 8.280 nan 0.000 0.447 7 S N 1.878 117.155 115.700 -0.705 0.000 2.672 7 S HA 0.291 4.761 4.470 -0.000 0.000 0.291 7 S C 0.313 174.518 174.600 -0.658 0.000 1.145 7 S CA -0.165 57.750 58.200 -0.475 0.000 1.013 7 S CB 1.209 64.266 63.200 -0.238 0.000 1.017 7 S HN 0.882 nan 8.310 nan 0.000 0.487 8 S N 2.110 117.587 115.700 -0.371 0.000 2.488 8 S HA 0.007 4.477 4.470 -0.000 0.000 0.246 8 S C 1.072 175.576 174.600 -0.160 0.000 0.992 8 S CA 0.335 58.414 58.200 -0.202 0.000 0.963 8 S CB -0.857 62.329 63.200 -0.023 0.000 0.754 8 S HN 1.434 nan 8.310 nan 0.000 0.519 9 A N 4.178 126.896 122.820 -0.170 0.000 2.545 9 A HA 0.393 4.713 4.320 -0.000 0.000 0.253 9 A C -1.393 176.129 177.584 -0.103 0.000 1.074 9 A CA -1.175 50.797 52.037 -0.108 0.000 0.760 9 A CB -0.400 18.544 19.000 -0.095 0.000 1.005 9 A HN 0.432 nan 8.150 nan 0.000 0.506 10 P HA 0.134 nan 4.420 nan 0.000 0.268 10 P C -0.494 176.783 177.300 -0.039 0.000 1.204 10 P CA -0.274 62.803 63.100 -0.039 0.000 0.768 10 P CB 0.637 32.326 31.700 -0.019 0.000 0.842 11 L N 4.806 126.011 121.223 -0.030 0.000 2.349 11 L HA 0.347 4.687 4.340 -0.000 0.000 0.275 11 L C 0.423 177.283 176.870 -0.016 0.000 1.115 11 L CA 0.438 55.263 54.840 -0.025 0.000 0.820 11 L CB 0.019 42.069 42.059 -0.016 0.000 1.135 11 L HN 0.448 nan 8.230 nan 0.000 0.445 12 R N 1.516 122.005 120.500 -0.019 0.000 2.766 12 R HA 0.609 4.949 4.340 -0.000 0.000 0.270 12 R C -1.222 175.066 176.300 -0.020 0.000 1.035 12 R CA -0.575 55.515 56.100 -0.017 0.000 0.911 12 R CB 1.868 32.158 30.300 -0.017 0.000 1.243 12 R HN 0.672 nan 8.270 nan 0.000 0.460 13 T N -1.773 112.769 114.554 -0.020 0.000 2.856 13 T HA 0.440 4.789 4.350 -0.000 0.000 0.283 13 T C 0.091 174.774 174.700 -0.028 0.000 1.008 13 T CA -0.784 61.302 62.100 -0.024 0.000 0.997 13 T CB 1.564 70.418 68.868 -0.024 0.000 0.992 13 T HN 0.181 nan 8.240 nan 0.000 0.454 14 V N 4.194 124.087 119.914 -0.034 0.000 2.540 14 V HA 0.134 4.254 4.120 -0.000 0.000 0.297 14 V C 1.122 177.194 176.094 -0.038 0.000 1.024 14 V CA -0.035 62.239 62.300 -0.044 0.000 1.105 14 V CB 0.205 31.995 31.823 -0.054 0.000 0.938 14 V HN 0.895 nan 8.190 nan 0.000 0.482 15 K N 2.667 123.044 120.400 -0.038 0.000 2.350 15 K HA 0.337 4.657 4.320 -0.000 0.000 0.196 15 K C 0.436 177.016 176.600 -0.034 0.000 1.084 15 K CA 0.428 56.698 56.287 -0.028 0.000 0.967 15 K CB 0.890 33.380 32.500 -0.018 0.000 0.950 15 K HN 0.742 nan 8.250 nan 0.000 0.512 16 E N 0.259 120.426 120.200 -0.055 0.000 2.429 16 E HA 0.415 4.765 4.350 -0.000 0.000 0.276 16 E C -1.312 175.209 176.600 -0.132 0.000 0.953 16 E CA -0.809 55.547 56.400 -0.073 0.000 0.787 16 E CB 3.049 32.709 29.700 -0.067 0.000 1.307 16 E HN -0.307 nan 8.360 nan 0.000 0.458 17 V N 2.194 122.001 119.914 -0.178 0.000 2.488 17 V HA 0.138 4.258 4.120 -0.000 0.000 0.293 17 V C -0.894 174.933 176.094 -0.445 0.000 1.027 17 V CA -0.723 61.369 62.300 -0.348 0.000 0.862 17 V CB 1.592 33.160 31.823 -0.426 0.000 1.008 17 V HN 0.533 nan 8.190 nan 0.000 0.428 18 Q N 4.519 124.034 119.800 -0.476 0.000 2.377 18 Q HA 0.485 4.825 4.340 -0.000 0.000 0.249 18 Q C -0.988 174.665 176.000 -0.578 0.000 1.005 18 Q CA 0.107 55.604 55.803 -0.510 0.000 0.912 18 Q CB 0.402 28.747 28.738 -0.655 0.000 1.223 18 Q HN 0.513 nan 8.270 nan 0.000 0.459 19 F N 1.959 121.767 119.950 -0.236 0.000 2.406 19 F HA 0.720 5.247 4.527 -0.000 0.000 0.327 19 F C 1.399 177.104 175.800 -0.158 0.000 1.153 19 F CA 1.152 59.055 58.000 -0.162 0.000 1.218 19 F CB 1.381 40.332 39.000 -0.082 0.000 1.215 19 F HN 0.654 nan 8.300 nan 0.000 0.570 20 G N 0.769 109.636 108.800 0.111 0.000 2.340 20 G HA2 0.486 4.446 3.960 -0.000 0.000 0.299 20 G HA3 0.486 4.446 3.960 -0.000 0.000 0.299 20 G C -2.186 172.790 174.900 0.127 0.000 1.291 20 G CA -1.058 44.122 45.100 0.133 0.000 0.841 20 G HN 0.525 nan 8.290 nan 0.000 0.500 21 L N 0.204 121.542 121.223 0.191 0.000 2.334 21 L HA 0.522 4.861 4.340 -0.000 0.000 0.276 21 L C -0.522 176.386 176.870 0.063 0.000 1.014 21 L CA -0.716 54.226 54.840 0.169 0.000 0.815 21 L CB 2.304 44.513 42.059 0.250 0.000 1.268 21 L HN 0.493 nan 8.230 nan 0.000 0.428 22 F N 2.164 122.056 119.950 -0.096 0.000 2.434 22 F HA 0.094 4.620 4.527 -0.000 0.000 0.358 22 F C 1.139 176.634 175.800 -0.508 0.000 1.136 22 F CA -0.741 57.100 58.000 -0.266 0.000 1.157 22 F CB 1.035 39.943 39.000 -0.153 0.000 1.167 22 F HN 0.611 nan 8.300 nan 0.000 0.539 23 S N 5.912 121.140 115.700 -0.785 0.000 2.584 23 S HA 0.152 4.622 4.470 -0.000 0.000 0.270 23 S C -1.487 172.789 174.600 -0.539 0.000 1.346 23 S CA -1.194 56.193 58.200 -1.356 0.000 1.018 23 S CB 1.156 63.277 63.200 -1.798 0.000 0.899 23 S HN 0.472 nan 8.310 nan 0.000 0.542 24 P HA -0.090 nan 4.420 nan 0.000 0.218 24 P C 0.840 178.026 177.300 -0.190 0.000 1.149 24 P CA 1.179 64.179 63.100 -0.167 0.000 0.817 24 P CB 0.048 31.727 31.700 -0.035 0.000 0.785 25 E N 0.687 120.780 120.200 -0.178 0.000 2.017 25 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 25 E C 2.212 178.691 176.600 -0.201 0.000 0.997 25 E CA 1.332 57.643 56.400 -0.149 0.000 0.804 25 E CB -1.025 28.622 29.700 -0.088 0.000 0.757 25 E HN 0.399 nan 8.360 nan 0.000 0.448 26 E N 0.321 120.384 120.200 -0.229 0.000 2.118 26 E HA -0.169 4.180 4.350 -0.000 0.000 0.195 26 E C 1.837 178.215 176.600 -0.370 0.000 0.992 26 E CA 1.115 57.394 56.400 -0.202 0.000 0.804 26 E CB 0.107 29.770 29.700 -0.061 0.000 0.741 26 E HN 0.067 nan 8.360 nan 0.000 0.458 27 V N 1.068 120.650 119.914 -0.553 0.000 2.568 27 V HA -0.241 3.878 4.120 -0.000 0.000 0.253 27 V C 2.279 178.131 176.094 -0.404 0.000 1.072 27 V CA 1.903 63.800 62.300 -0.672 0.000 1.084 27 V CB -0.529 30.969 31.823 -0.542 0.000 0.676 27 V HN 0.266 nan 8.190 nan 0.000 0.469 28 R N 0.104 120.387 120.500 -0.361 0.000 2.064 28 R HA 0.142 4.481 4.340 -0.000 0.000 0.221 28 R C 2.516 178.644 176.300 -0.286 0.000 1.136 28 R CA 1.095 56.932 56.100 -0.438 0.000 0.980 28 R CB -0.664 29.383 30.300 -0.422 0.000 0.876 28 R HN 0.447 nan 8.270 nan 0.000 0.437 29 A N 1.981 124.676 122.820 -0.208 0.000 2.042 29 A HA -0.183 4.137 4.320 -0.000 0.000 0.222 29 A C 2.071 179.598 177.584 -0.095 0.000 1.167 29 A CA 1.836 53.795 52.037 -0.130 0.000 0.649 29 A CB -0.666 18.277 19.000 -0.096 0.000 0.809 29 A HN 0.552 nan 8.150 nan 0.000 0.457 30 I N -3.339 117.166 120.570 -0.108 0.000 4.187 30 I HA 0.165 4.335 4.170 -0.000 0.000 0.326 30 I C 1.170 177.283 176.117 -0.008 0.000 1.302 30 I CA 0.434 61.710 61.300 -0.040 0.000 1.196 30 I CB -0.118 37.878 38.000 -0.006 0.000 1.095 30 I HN 0.222 nan 8.210 nan 0.000 0.411 31 S N 1.788 117.458 115.700 -0.049 0.000 2.641 31 S HA 0.193 4.662 4.470 -0.000 0.000 0.251 31 S C 1.071 175.690 174.600 0.030 0.000 1.332 31 S CA 0.241 58.460 58.200 0.031 0.000 0.968 31 S CB 1.357 64.568 63.200 0.018 0.000 0.987 31 S HN 0.415 nan 8.310 nan 0.000 0.587 32 V N -3.728 116.221 119.914 0.059 0.000 3.103 32 V HA 0.661 4.780 4.120 -0.000 0.000 0.229 32 V C 0.703 176.812 176.094 0.024 0.000 1.304 32 V CA 0.271 62.583 62.300 0.021 0.000 1.298 32 V CB -0.922 30.905 31.823 0.005 0.000 1.093 32 V HN 1.121 nan 8.190 nan 0.000 0.489 33 A N 0.286 123.138 122.820 0.052 0.000 2.311 33 A HA 0.704 5.023 4.320 -0.000 0.000 0.334 33 A C 0.708 178.352 177.584 0.100 0.000 1.139 33 A CA -0.037 52.026 52.037 0.044 0.000 0.830 33 A CB 1.744 20.754 19.000 0.017 0.000 1.234 33 A HN 0.316 nan 8.150 nan 0.000 0.483 34 K N 0.757 121.192 120.400 0.060 0.000 2.356 34 K HA 0.282 4.602 4.320 -0.000 0.000 0.195 34 K C -0.477 176.030 176.600 -0.155 0.000 1.037 34 K CA 0.153 56.458 56.287 0.030 0.000 1.014 34 K CB -0.446 32.075 32.500 0.035 0.000 0.815 34 K HN 0.748 nan 8.250 nan 0.000 0.507 35 I N 2.177 122.695 120.570 -0.088 0.000 7.623 35 I HA -0.386 3.783 4.170 -0.000 0.000 0.126 35 I C 0.351 176.403 176.117 -0.108 0.000 1.671 35 I CA 0.304 61.551 61.300 -0.088 0.000 2.292 35 I CB -0.409 37.546 38.000 -0.074 0.000 3.366 35 I HN 0.346 nan 8.210 nan 0.000 0.240 36 R N 5.218 125.663 120.500 -0.091 0.000 1.792 36 R HA 0.420 4.760 4.340 -0.000 0.000 0.139 36 R C 0.228 176.578 176.300 0.082 0.000 2.091 36 R CA -0.437 55.623 56.100 -0.067 0.000 1.697 36 R CB 0.029 30.218 30.300 -0.185 0.000 1.340 36 R HN 0.284 nan 8.270 nan 0.000 0.481 37 F N 4.984 124.908 119.950 -0.043 0.000 2.350 37 F HA -0.057 4.470 4.527 -0.000 0.000 0.420 37 F C -1.173 174.605 175.800 -0.036 0.000 0.939 37 F CA -1.095 56.884 58.000 -0.036 0.000 1.066 37 F CB 0.437 39.420 39.000 -0.028 0.000 0.876 37 F HN 0.183 nan 8.300 nan 0.000 0.515 38 P HA -0.027 nan 4.420 nan 0.000 0.258 38 P C -0.468 176.843 177.300 0.018 0.000 1.319 38 P CA 0.781 63.906 63.100 0.041 0.000 0.785 38 P CB 0.098 31.803 31.700 0.009 0.000 1.252 50 I N 0.036 120.641 120.570 0.058 0.000 2.740 50 I HA 0.284 4.454 4.170 -0.000 0.000 0.303 50 I C 1.393 177.546 176.117 0.058 0.000 1.044 50 I CA -0.726 60.628 61.300 0.091 0.000 1.064 50 I CB 1.931 40.033 38.000 0.170 0.000 1.249 50 I HN 0.910 nan 8.210 nan 0.000 0.433 51 G N 2.429 111.246 108.800 0.027 0.000 2.708 51 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.210 51 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.210 51 G C 1.131 176.003 174.900 -0.048 0.000 1.141 51 G CA 0.726 45.807 45.100 -0.031 0.000 0.788 51 G HN 0.898 nan 8.290 nan 0.000 0.531 52 G N -0.389 108.420 108.800 0.014 0.000 2.486 52 G HA2 0.363 4.323 3.960 -0.000 0.000 0.210 52 G HA3 0.363 4.323 3.960 -0.000 0.000 0.210 52 G C 0.396 175.314 174.900 0.029 0.000 1.168 52 G CA 0.043 45.161 45.100 0.030 0.000 0.820 52 G HN 0.343 nan 8.290 nan 0.000 0.544 53 L N -0.981 120.270 121.223 0.046 0.000 2.424 53 L HA 0.328 4.668 4.340 -0.000 0.000 0.258 53 L C -0.544 176.340 176.870 0.023 0.000 0.995 53 L CA -0.849 54.007 54.840 0.026 0.000 0.821 53 L CB 2.270 44.348 42.059 0.031 0.000 1.383 53 L HN 0.255 nan 8.230 nan 0.000 0.410 54 N N 1.191 119.896 118.700 0.009 0.000 2.741 54 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 54 N C -0.243 175.273 175.510 0.010 0.000 1.115 54 N CA 1.567 54.620 53.050 0.006 0.000 0.724 54 N CB -0.858 37.636 38.487 0.012 0.000 1.090 54 N HN 0.896 nan 8.380 nan 0.000 0.558 55 D N -3.445 116.960 120.400 0.009 0.000 1.520 55 D HA 0.017 4.657 4.640 -0.000 0.000 0.776 55 D C -1.938 174.362 176.300 -0.000 0.000 0.570 55 D CA 0.269 54.274 54.000 0.008 0.000 1.290 55 D CB -0.418 40.388 40.800 0.011 0.000 1.181 55 D HN 0.051 nan 8.370 nan 0.000 0.425 56 P HA -0.135 nan 4.420 nan 0.000 0.226 56 P C 0.347 177.635 177.300 -0.020 0.000 1.139 56 P CA 1.327 64.418 63.100 -0.015 0.000 0.777 56 P CB 0.102 31.790 31.700 -0.019 0.000 0.757 57 R N -4.337 116.151 120.500 -0.019 0.000 1.521 57 R HA 0.047 4.386 4.340 -0.000 0.000 0.029 57 R C 0.798 177.079 176.300 -0.033 0.000 0.821 57 R CA -0.198 55.876 56.100 -0.044 0.000 3.543 57 R CB -0.834 29.433 30.300 -0.054 0.000 0.715 57 R HN 0.062 nan 8.270 nan 0.000 0.582 58 L N 1.777 123.010 121.223 0.017 0.000 2.453 58 L HA 0.012 4.351 4.340 -0.000 0.000 0.283 58 L C 1.350 178.285 176.870 0.108 0.000 1.284 58 L CA 1.030 55.916 54.840 0.076 0.000 0.822 58 L CB -0.224 41.851 42.059 0.027 0.000 1.081 58 L HN 0.310 nan 8.230 nan 0.000 0.562 59 G N 0.492 109.380 108.800 0.146 0.000 2.464 59 G HA2 0.176 4.136 3.960 -0.000 0.000 0.231 59 G HA3 0.176 4.136 3.960 -0.000 0.000 0.231 59 G C 0.202 175.134 174.900 0.053 0.000 1.267 59 G CA 0.062 45.231 45.100 0.115 0.000 0.863 59 G HN 0.751 nan 8.290 nan 0.000 0.559 60 S N 0.790 116.519 115.700 0.047 0.000 2.767 60 S HA 0.823 5.293 4.470 -0.000 0.000 0.300 60 S C 0.079 174.688 174.600 0.014 0.000 1.123 60 S CA -0.901 57.314 58.200 0.025 0.000 0.992 60 S CB 1.591 64.806 63.200 0.025 0.000 1.138 60 S HN 0.578 nan 8.310 nan 0.000 0.550 61 I N -1.165 119.411 120.570 0.010 0.000 3.516 61 I HA 0.472 4.642 4.170 -0.000 0.000 0.307 61 I C -0.630 175.491 176.117 0.007 0.000 1.157 61 I CA -0.961 60.343 61.300 0.006 0.000 0.983 61 I CB 1.275 39.278 38.000 0.004 0.000 1.351 61 I HN 0.618 nan 8.210 nan 0.000 0.484 62 D N 1.224 121.627 120.400 0.005 0.000 3.068 62 D HA -0.161 4.478 4.640 -0.000 0.000 0.218 62 D C 0.289 176.592 176.300 0.006 0.000 1.145 62 D CA 0.789 54.792 54.000 0.006 0.000 0.896 62 D CB -0.512 40.292 40.800 0.007 0.000 1.105 62 D HN 0.739 nan 8.370 nan 0.000 0.423 63 R N -1.816 118.687 120.500 0.006 0.000 3.953 63 R HA -0.201 4.138 4.340 -0.000 0.000 0.340 63 R C -0.205 176.100 176.300 0.008 0.000 1.195 63 R CA 0.853 56.956 56.100 0.006 0.000 0.929 63 R CB -1.704 28.599 30.300 0.005 0.000 1.402 63 R HN 0.257 nan 8.270 nan 0.000 0.540 64 N N 1.450 120.155 118.700 0.009 0.000 2.430 64 N HA 0.101 4.841 4.740 -0.000 0.000 0.265 64 N C 1.492 177.011 175.510 0.014 0.000 1.100 64 N CA -0.025 53.032 53.050 0.011 0.000 0.961 64 N CB 0.783 39.276 38.487 0.010 0.000 1.075 64 N HN 0.140 nan 8.380 nan 0.000 0.478 65 L N 1.504 122.735 121.223 0.014 0.000 2.083 65 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 65 L C 0.945 177.827 176.870 0.019 0.000 1.083 65 L CA 1.017 55.868 54.840 0.018 0.000 0.752 65 L CB -0.351 41.717 42.059 0.016 0.000 0.899 65 L HN 0.334 nan 8.230 nan 0.000 0.433 66 K N 0.322 120.730 120.400 0.013 0.000 2.491 66 K HA -0.069 4.250 4.320 -0.000 0.000 0.279 66 K C -0.135 176.471 176.600 0.011 0.000 1.026 66 K CA 0.224 56.515 56.287 0.007 0.000 1.070 66 K CB 0.435 32.937 32.500 0.003 0.000 0.887 66 K HN 0.233 nan 8.250 nan 0.000 0.481 67 C N 4.024 123.326 119.300 0.003 0.000 2.935 67 C HA 0.086 4.545 4.460 -0.000 0.000 0.305 67 C C -0.726 174.219 174.990 -0.075 0.000 1.832 67 C CA -0.235 58.785 59.018 0.004 0.000 1.073 67 C CB -1.243 26.541 27.740 0.073 0.000 2.024 67 C HN 1.088 nan 8.230 nan 0.000 0.660 68 Q N 0.616 120.365 119.800 -0.086 0.000 2.454 68 Q HA -0.161 4.179 4.340 -0.000 0.000 0.281 68 Q C 0.872 176.824 176.000 -0.080 0.000 1.233 68 Q CA 0.814 56.544 55.803 -0.123 0.000 0.818 68 Q CB -1.758 26.819 28.738 -0.268 0.000 1.200 68 Q HN 0.906 nan 8.270 nan 0.000 0.447 69 T N -3.396 111.134 114.554 -0.040 0.000 9.639 69 T HA -0.375 3.975 4.350 -0.000 0.000 0.362 69 T C 1.213 175.910 174.700 -0.005 0.000 1.812 69 T CA 1.805 63.893 62.100 -0.019 0.000 2.782 69 T CB -2.161 66.695 68.868 -0.021 0.000 2.606 69 T HN 0.988 nan 8.240 nan 0.000 1.105 70 C N 2.706 122.003 119.300 -0.005 0.000 2.546 70 C HA 0.372 4.832 4.460 -0.000 0.000 0.275 70 C C 1.773 176.793 174.990 0.051 0.000 1.393 70 C CA 0.104 59.144 59.018 0.037 0.000 1.703 70 C CB -1.631 26.159 27.740 0.084 0.000 1.710 70 C HN 0.738 nan 8.230 nan 0.000 0.581 71 Q N 0.930 120.749 119.800 0.032 0.000 2.472 71 Q HA -0.309 4.031 4.340 -0.000 0.000 0.468 71 Q C 0.826 176.851 176.000 0.042 0.000 0.622 71 Q CA 2.273 58.094 55.803 0.031 0.000 0.939 71 Q CB -0.763 27.989 28.738 0.024 0.000 2.761 71 Q HN 0.788 nan 8.270 nan 0.000 1.022 72 E N -1.541 118.679 120.200 0.034 0.000 2.917 72 E HA -0.206 4.144 4.350 -0.000 0.000 0.286 72 E C 0.070 176.685 176.600 0.026 0.000 1.372 72 E CA 0.851 57.270 56.400 0.031 0.000 1.598 72 E CB -1.706 28.017 29.700 0.037 0.000 1.937 72 E HN 0.923 nan 8.360 nan 0.000 0.554 73 G N -0.949 107.865 108.800 0.023 0.000 2.495 73 G HA2 0.464 4.423 3.960 -0.000 0.000 0.294 73 G HA3 0.464 4.423 3.960 -0.000 0.000 0.294 73 G C -0.176 174.731 174.900 0.011 0.000 1.397 73 G CA -0.170 44.940 45.100 0.017 0.000 0.790 73 G HN 0.234 nan 8.290 nan 0.000 0.486 74 M N 1.108 120.712 119.600 0.006 0.000 2.818 74 M HA 0.061 4.541 4.480 -0.000 0.000 0.226 74 M C 0.877 177.174 176.300 -0.006 0.000 1.050 74 M CA 0.707 56.007 55.300 -0.001 0.000 1.059 74 M CB -0.280 32.318 32.600 -0.002 0.000 1.634 74 M HN 0.407 nan 8.290 nan 0.000 0.545 75 N N -0.927 117.771 118.700 -0.003 0.000 2.036 75 N HA 0.056 4.795 4.740 -0.000 0.000 0.228 75 N C 0.428 175.935 175.510 -0.005 0.000 1.368 75 N CA 0.256 53.303 53.050 -0.006 0.000 0.846 75 N CB 0.801 39.286 38.487 -0.004 0.000 1.145 75 N HN 0.226 nan 8.380 nan 0.000 0.502 76 E N 0.017 120.215 120.200 -0.002 0.000 2.474 76 E HA 0.151 4.501 4.350 -0.000 0.000 0.215 76 E C 0.254 176.850 176.600 -0.006 0.000 0.867 76 E CA -0.021 56.379 56.400 -0.000 0.000 1.135 76 E CB 0.533 30.239 29.700 0.010 0.000 1.147 76 E HN 0.174 nan 8.360 nan 0.000 0.534 77 C N 4.866 124.162 119.300 -0.006 0.000 2.540 77 C HA 0.380 4.839 4.460 -0.000 0.000 0.377 77 C C -2.098 172.842 174.990 -0.084 0.000 1.274 77 C CA -1.622 57.383 59.018 -0.022 0.000 1.718 77 C CB -0.439 27.310 27.740 0.015 0.000 2.391 77 C HN 0.119 nan 8.230 nan 0.000 0.565 78 P HA 0.251 nan 4.420 nan 0.000 0.274 78 P C 0.514 177.633 177.300 -0.301 0.000 1.504 78 P CA 0.547 63.553 63.100 -0.157 0.000 1.011 78 P CB 0.432 32.065 31.700 -0.111 0.000 1.366 79 G N 4.206 112.871 108.800 -0.225 0.000 2.548 79 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.243 79 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.243 79 G C -0.088 174.613 174.900 -0.332 0.000 0.801 79 G CA -0.111 44.840 45.100 -0.248 0.000 0.977 79 G HN 0.596 nan 8.290 nan 0.000 0.363 80 H N 0.847 119.894 119.070 -0.039 0.000 2.483 80 H HA 0.365 4.920 4.556 -0.000 0.000 0.338 80 H C -0.245 175.057 175.328 -0.044 0.000 1.152 80 H CA -0.362 55.702 56.048 0.026 0.000 1.264 80 H CB 1.248 31.028 29.762 0.030 0.000 1.510 80 H HN 0.345 nan 8.280 nan 0.000 0.530 81 F N 0.244 120.277 119.950 0.138 0.000 2.384 81 F HA 0.312 4.839 4.527 -0.000 0.000 0.338 81 F C 1.263 177.103 175.800 0.067 0.000 1.103 81 F CA 0.020 58.072 58.000 0.086 0.000 1.157 81 F CB 1.177 40.219 39.000 0.070 0.000 1.167 81 F HN 0.518 nan 8.300 nan 0.000 0.529 82 G N 0.944 109.843 108.800 0.165 0.000 2.477 82 G HA2 0.392 4.352 3.960 -0.000 0.000 0.304 82 G HA3 0.392 4.352 3.960 -0.000 0.000 0.304 82 G C -1.783 173.231 174.900 0.190 0.000 1.175 82 G CA -0.206 44.972 45.100 0.130 0.000 0.907 82 G HN 0.698 nan 8.290 nan 0.000 0.509 83 H N -0.560 118.520 119.070 0.016 0.000 2.670 83 H HA 0.760 5.316 4.556 -0.000 0.000 0.361 83 H C -0.962 174.351 175.328 -0.025 0.000 1.169 83 H CA -1.394 54.645 56.048 -0.016 0.000 1.198 83 H CB 1.737 31.479 29.762 -0.034 0.000 1.700 83 H HN 0.543 nan 8.280 nan 0.000 0.542 84 I N 3.537 123.844 120.570 -0.438 0.000 2.740 84 I HA 0.113 4.283 4.170 -0.000 0.000 0.275 84 I C -1.767 174.175 176.117 -0.292 0.000 1.453 84 I CA -0.530 60.521 61.300 -0.415 0.000 1.151 84 I CB 1.028 38.922 38.000 -0.177 0.000 1.477 84 I HN 0.592 nan 8.210 nan 0.000 0.428 85 D N 8.364 128.569 120.400 -0.325 0.000 2.351 85 D HA 0.363 5.003 4.640 -0.000 0.000 0.251 85 D C -0.216 176.039 176.300 -0.075 0.000 1.137 85 D CA 0.148 54.075 54.000 -0.121 0.000 0.879 85 D CB 2.063 42.813 40.800 -0.083 0.000 1.181 85 D HN 0.430 nan 8.370 nan 0.000 0.448 86 L N 1.978 123.180 121.223 -0.035 0.000 2.276 86 L HA 0.250 4.590 4.340 -0.000 0.000 0.286 86 L C 1.663 178.522 176.870 -0.019 0.000 1.061 86 L CA -0.720 54.106 54.840 -0.024 0.000 0.807 86 L CB 1.484 43.537 42.059 -0.010 0.000 1.177 86 L HN 0.434 nan 8.230 nan 0.000 0.429 87 A N 3.986 126.796 122.820 -0.018 0.000 1.903 87 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 87 A C 1.018 178.593 177.584 -0.015 0.000 1.191 87 A CA 1.566 53.594 52.037 -0.014 0.000 0.638 87 A CB -0.096 18.898 19.000 -0.010 0.000 0.823 87 A HN 0.636 nan 8.150 nan 0.000 0.451 88 K N -1.309 119.079 120.400 -0.020 0.000 2.400 88 K HA 0.467 4.787 4.320 -0.000 0.000 0.246 88 K C -3.092 173.486 176.600 -0.038 0.000 0.995 88 K CA -2.351 53.917 56.287 -0.032 0.000 0.840 88 K CB 1.679 34.154 32.500 -0.043 0.000 1.293 88 K HN 0.059 nan 8.250 nan 0.000 0.445 89 P HA 0.268 nan 4.420 nan 0.000 0.278 89 P C -0.632 176.605 177.300 -0.104 0.000 1.238 89 P CA -0.403 62.663 63.100 -0.056 0.000 0.794 89 P CB 1.046 32.707 31.700 -0.064 0.000 0.955 90 V N 2.872 122.749 119.914 -0.063 0.000 2.876 90 V HA 0.310 4.430 4.120 -0.000 0.000 0.312 90 V C -0.051 176.068 176.094 0.042 0.000 1.085 90 V CA -0.652 61.602 62.300 -0.076 0.000 0.945 90 V CB 1.728 33.557 31.823 0.009 0.000 1.017 90 V HN 0.337 nan 8.190 nan 0.000 0.428 91 F N 2.098 122.101 119.950 0.089 0.000 2.506 91 F HA 0.242 4.768 4.527 -0.000 0.000 0.351 91 F C 0.710 176.629 175.800 0.200 0.000 1.136 91 F CA -0.129 57.948 58.000 0.129 0.000 1.298 91 F CB -0.014 39.054 39.000 0.112 0.000 1.145 91 F HN 0.547 nan 8.300 nan 0.000 0.593 92 H N 2.653 121.929 119.070 0.344 0.000 2.652 92 H HA 0.306 4.862 4.556 -0.000 0.000 0.298 92 H C 0.927 176.355 175.328 0.166 0.000 1.076 92 H CA -0.705 55.492 56.048 0.247 0.000 1.360 92 H CB 1.026 30.971 29.762 0.305 0.000 1.421 92 H HN 0.516 nan 8.280 nan 0.000 0.464 93 V N 3.457 123.645 119.914 0.457 0.000 2.280 93 V HA -0.356 3.764 4.120 -0.000 0.000 0.258 93 V C 2.413 178.518 176.094 0.019 0.000 1.081 93 V CA 2.169 64.607 62.300 0.229 0.000 1.070 93 V CB -1.330 30.619 31.823 0.211 0.000 0.666 93 V HN 0.948 nan 8.190 nan 0.000 0.450 94 G N -1.083 107.555 108.800 -0.271 0.000 2.471 94 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.219 94 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.219 94 G C 1.073 175.342 174.900 -1.051 0.000 1.125 94 G CA 0.748 45.333 45.100 -0.857 0.000 0.775 94 G HN 0.610 nan 8.290 nan 0.000 0.548 95 F N -0.237 119.438 119.950 -0.458 0.000 2.661 95 F HA 0.423 4.950 4.527 -0.000 0.000 0.306 95 F C 1.967 177.653 175.800 -0.190 0.000 1.094 95 F CA -0.721 57.111 58.000 -0.281 0.000 1.254 95 F CB 0.184 39.032 39.000 -0.253 0.000 1.040 95 F HN 0.008 nan 8.300 nan 0.000 0.562 96 I N 0.560 121.077 120.570 -0.089 0.000 2.194 96 I HA -0.367 3.803 4.170 -0.000 0.000 0.246 96 I C 2.693 178.722 176.117 -0.148 0.000 1.093 96 I CA 1.544 62.722 61.300 -0.204 0.000 1.355 96 I CB -0.543 37.363 38.000 -0.156 0.000 1.046 96 I HN 0.225 nan 8.210 nan 0.000 0.413 97 A N 0.383 123.141 122.820 -0.103 0.000 1.902 97 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 97 A C 2.378 179.925 177.584 -0.062 0.000 1.181 97 A CA 1.500 53.482 52.037 -0.091 0.000 0.623 97 A CB -0.362 18.573 19.000 -0.107 0.000 0.818 97 A HN 0.208 nan 8.150 nan 0.000 0.443 98 K N -0.197 120.196 120.400 -0.011 0.000 2.001 98 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 98 K C 1.876 178.555 176.600 0.131 0.000 1.048 98 K CA 1.467 57.799 56.287 0.074 0.000 0.932 98 K CB -0.616 31.979 32.500 0.158 0.000 0.715 98 K HN 0.594 nan 8.250 nan 0.000 0.437 99 I N 1.315 121.957 120.570 0.120 0.000 2.248 99 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 99 I C 2.617 178.837 176.117 0.172 0.000 1.107 99 I CA 1.330 62.750 61.300 0.199 0.000 1.373 99 I CB -0.249 37.721 38.000 -0.050 0.000 1.055 99 I HN 0.220 nan 8.210 nan 0.000 0.418 100 K N 1.551 121.973 120.400 0.036 0.000 2.001 100 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 100 K C 2.149 178.834 176.600 0.140 0.000 1.048 100 K CA 1.474 57.796 56.287 0.059 0.000 0.932 100 K CB 0.008 32.510 32.500 0.004 0.000 0.715 100 K HN 0.188 nan 8.250 nan 0.000 0.437 101 K N 0.331 120.784 120.400 0.088 0.000 2.097 101 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 101 K C 2.030 178.785 176.600 0.258 0.000 1.049 101 K CA 1.382 57.705 56.287 0.061 0.000 0.933 101 K CB -0.053 32.241 32.500 -0.342 0.000 0.717 101 K HN 0.009 nan 8.250 nan 0.000 0.442 102 V N 1.076 121.173 119.914 0.304 0.000 2.295 102 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 102 V C 2.391 178.640 176.094 0.258 0.000 1.049 102 V CA 1.614 64.073 62.300 0.264 0.000 1.024 102 V CB -0.545 31.258 31.823 -0.033 0.000 0.648 102 V HN 0.441 nan 8.190 nan 0.000 0.447 103 C N 0.065 119.556 119.300 0.318 0.000 2.411 103 C HA -0.153 4.306 4.460 -0.000 0.000 0.279 103 C C 2.408 177.525 174.990 0.212 0.000 1.288 103 C CA 0.953 60.147 59.018 0.294 0.000 1.764 103 C CB -1.201 26.691 27.740 0.254 0.000 1.974 103 C HN 0.622 nan 8.230 nan 0.000 0.498 104 E N -1.109 119.229 120.200 0.231 0.000 2.502 104 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 104 E C 1.566 178.260 176.600 0.156 0.000 1.062 104 E CA 0.388 56.903 56.400 0.191 0.000 0.867 104 E CB 0.023 29.904 29.700 0.301 0.000 0.888 104 E HN 0.722 nan 8.360 nan 0.000 0.510 105 C N -0.376 119.037 119.300 0.188 0.000 2.628 105 C HA 0.210 4.670 4.460 -0.000 0.000 0.393 105 C C 1.113 176.175 174.990 0.120 0.000 1.328 105 C CA -0.525 58.579 59.018 0.143 0.000 2.079 105 C CB 0.416 28.265 27.740 0.182 0.000 2.663 105 C HN 0.158 nan 8.230 nan 0.000 0.557 106 V N 0.964 120.965 119.914 0.144 0.000 2.743 106 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 106 V C 0.007 176.187 176.094 0.143 0.000 1.057 106 V CA -0.571 61.812 62.300 0.137 0.000 1.006 106 V CB 1.355 33.272 31.823 0.156 0.000 1.024 106 V HN 0.600 nan 8.190 nan 0.000 0.473 107 C N 7.392 126.772 119.300 0.133 0.000 2.637 107 C HA 0.256 4.716 4.460 -0.000 0.000 0.418 107 C C 1.313 176.414 174.990 0.185 0.000 1.319 107 C CA -0.677 58.428 59.018 0.146 0.000 1.949 107 C CB 0.000 27.819 27.740 0.131 0.000 2.639 107 C HN 0.896 nan 8.230 nan 0.000 0.594 108 M N 5.347 125.077 119.600 0.217 0.000 2.686 108 M HA 0.084 4.564 4.480 -0.000 0.000 0.216 108 M C 1.094 177.532 176.300 0.229 0.000 1.221 108 M CA 0.804 56.247 55.300 0.238 0.000 0.992 108 M CB -1.649 31.122 32.600 0.286 0.000 1.739 108 M HN 0.843 nan 8.290 nan 0.000 0.461 109 H N -0.999 118.139 119.070 0.112 0.000 2.089 109 H HA 0.105 4.661 4.556 -0.000 0.000 0.206 109 H C 1.476 176.794 175.328 -0.017 0.000 0.872 109 H CA 1.271 57.352 56.048 0.054 0.000 0.979 109 H CB 0.657 30.449 29.762 0.050 0.000 1.266 109 H HN 0.465 nan 8.280 nan 0.000 0.389 110 C N -0.240 119.169 119.300 0.182 0.000 3.228 110 C HA 0.609 5.069 4.460 -0.000 0.000 0.290 110 C C 1.444 176.449 174.990 0.024 0.000 1.301 110 C CA 0.429 59.466 59.018 0.032 0.000 1.703 110 C CB 0.102 27.871 27.740 0.048 0.000 2.141 110 C HN 0.739 nan 8.230 nan 0.000 0.656 111 G N 1.532 110.395 108.800 0.105 0.000 2.212 111 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.255 111 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.255 111 G C -0.253 174.720 174.900 0.121 0.000 1.062 111 G CA 0.525 45.714 45.100 0.148 0.000 0.815 111 G HN 0.859 nan 8.290 nan 0.000 0.497 112 K N 0.109 120.569 120.400 0.099 0.000 2.244 112 K HA 0.614 4.934 4.320 -0.000 0.000 0.260 112 K C 0.985 177.632 176.600 0.078 0.000 0.951 112 K CA -1.092 55.242 56.287 0.079 0.000 0.826 112 K CB 0.717 33.255 32.500 0.063 0.000 1.108 112 K HN 0.158 nan 8.250 nan 0.000 0.433 113 L N 5.504 126.769 121.223 0.069 0.000 2.615 113 L HA -0.121 4.218 4.340 -0.000 0.000 0.284 113 L C 1.413 178.320 176.870 0.061 0.000 1.237 113 L CA 0.191 55.073 54.840 0.070 0.000 0.905 113 L CB 0.366 42.461 42.059 0.060 0.000 1.149 113 L HN 0.793 nan 8.230 nan 0.000 0.499 114 L N 4.776 126.034 121.223 0.058 0.000 2.362 114 L HA -0.033 4.307 4.340 -0.000 0.000 0.219 114 L C 0.298 177.188 176.870 0.033 0.000 1.134 114 L CA 0.838 55.703 54.840 0.043 0.000 0.807 114 L CB -0.186 41.892 42.059 0.031 0.000 0.927 114 L HN 0.487 nan 8.230 nan 0.000 0.447 115 L N -0.464 120.780 121.223 0.036 0.000 2.436 115 L HA 0.340 4.679 4.340 -0.000 0.000 0.268 115 L C -0.758 176.139 176.870 0.045 0.000 0.974 115 L CA -0.674 54.188 54.840 0.036 0.000 0.826 115 L CB 2.249 44.318 42.059 0.016 0.000 1.291 115 L HN -0.025 nan 8.230 nan 0.000 0.406 116 D N 1.360 121.801 120.400 0.068 0.000 2.541 116 D HA 0.162 4.801 4.640 -0.000 0.000 0.276 116 D C 0.129 176.426 176.300 -0.004 0.000 1.190 116 D CA -0.450 53.579 54.000 0.048 0.000 1.095 116 D CB 0.771 41.640 40.800 0.116 0.000 1.173 116 D HN 0.509 nan 8.370 nan 0.000 0.604 117 E N -0.741 119.396 120.200 -0.105 0.000 2.502 117 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 117 E C 1.325 177.819 176.600 -0.176 0.000 1.062 117 E CA 0.322 56.634 56.400 -0.147 0.000 0.867 117 E CB -0.022 29.557 29.700 -0.202 0.000 0.888 117 E HN 0.336 nan 8.360 nan 0.000 0.510 118 H N 0.214 119.284 119.070 -0.000 0.000 2.535 118 H HA 0.076 4.632 4.556 -0.000 0.000 0.273 118 H C 0.517 175.844 175.328 -0.003 0.000 0.983 118 H CA 0.470 56.517 56.048 -0.002 0.000 1.238 118 H CB 0.251 30.012 29.762 -0.002 0.000 1.412 118 H HN 0.060 nan 8.280 nan 0.000 0.562 119 N N 1.221 119.974 118.700 0.088 0.000 2.419 119 N HA -0.022 4.717 4.740 -0.000 0.000 0.277 119 N C 0.894 176.416 175.510 0.021 0.000 1.006 119 N CA 0.018 53.096 53.050 0.048 0.000 0.923 119 N CB 1.850 40.357 38.487 0.033 0.000 1.140 119 N HN 0.157 nan 8.380 nan 0.000 0.488 120 E N 2.740 122.949 120.200 0.016 0.000 2.072 120 E HA -0.063 4.286 4.350 -0.000 0.000 0.191 120 E C 1.411 178.012 176.600 0.001 0.000 0.985 120 E CA 0.939 57.343 56.400 0.006 0.000 0.801 120 E CB 0.196 29.899 29.700 0.006 0.000 0.750 120 E HN 0.625 nan 8.360 nan 0.000 0.452 121 L N 0.060 121.282 121.223 -0.001 0.000 2.191 121 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 121 L C 2.434 179.301 176.870 -0.005 0.000 1.103 121 L CA 0.504 55.341 54.840 -0.005 0.000 0.769 121 L CB -0.193 41.859 42.059 -0.012 0.000 0.908 121 L HN 0.289 nan 8.230 nan 0.000 0.438 122 M N -0.302 119.297 119.600 -0.002 0.000 2.288 122 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 122 M C 2.244 178.544 176.300 0.000 0.000 1.072 122 M CA 1.542 56.842 55.300 0.000 0.000 1.132 122 M CB -0.186 32.417 32.600 0.005 0.000 1.386 122 M HN -0.037 nan 8.290 nan 0.000 0.432 123 R N -0.510 119.988 120.500 -0.004 0.000 2.081 123 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 123 R C 2.205 178.504 176.300 -0.001 0.000 1.131 123 R CA 1.824 57.919 56.100 -0.008 0.000 0.960 123 R CB -0.478 29.814 30.300 -0.013 0.000 0.856 123 R HN 0.570 nan 8.270 nan 0.000 0.436 124 Q N 0.249 120.049 119.800 0.001 0.000 2.050 124 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 124 Q C 2.303 178.309 176.000 0.009 0.000 0.980 124 Q CA 1.583 57.388 55.803 0.004 0.000 0.840 124 Q CB -0.213 28.526 28.738 0.003 0.000 0.898 124 Q HN 0.354 nan 8.270 nan 0.000 0.424 125 A N 1.272 124.097 122.820 0.009 0.000 1.877 125 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 125 A C 2.122 179.721 177.584 0.025 0.000 1.186 125 A CA 1.186 53.233 52.037 0.017 0.000 0.620 125 A CB -0.844 18.164 19.000 0.014 0.000 0.822 125 A HN 0.301 nan 8.150 nan 0.000 0.443 126 L N -0.772 120.464 121.223 0.021 0.000 2.261 126 L HA -0.238 4.102 4.340 -0.000 0.000 0.216 126 L C 2.928 179.811 176.870 0.022 0.000 1.114 126 L CA 0.874 55.729 54.840 0.024 0.000 0.777 126 L CB -0.421 41.645 42.059 0.012 0.000 0.910 126 L HN 0.479 nan 8.230 nan 0.000 0.440 127 A N -0.084 122.746 122.820 0.017 0.000 2.014 127 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 127 A C 1.255 178.852 177.584 0.021 0.000 1.163 127 A CA 0.128 52.174 52.037 0.015 0.000 0.652 127 A CB -0.420 18.587 19.000 0.011 0.000 0.808 127 A HN 0.252 nan 8.150 nan 0.000 0.449 128 I N 0.190 120.775 120.570 0.025 0.000 2.948 128 I HA -0.134 4.036 4.170 -0.000 0.000 0.303 128 I C 1.173 177.309 176.117 0.031 0.000 1.224 128 I CA 0.590 61.906 61.300 0.028 0.000 1.442 128 I CB 0.496 38.517 38.000 0.034 0.000 1.328 128 I HN 0.264 nan 8.210 nan 0.000 0.578 129 K N 2.565 122.981 120.400 0.027 0.000 2.353 129 K HA 0.050 4.370 4.320 -0.000 0.000 0.195 129 K C 0.027 176.643 176.600 0.027 0.000 1.031 129 K CA -0.036 56.267 56.287 0.027 0.000 1.079 129 K CB 0.177 32.691 32.500 0.023 0.000 0.857 129 K HN 0.508 nan 8.250 nan 0.000 0.535 130 D N 1.518 121.935 120.400 0.028 0.000 2.374 130 D HA -0.005 4.635 4.640 -0.000 0.000 0.240 130 D C 0.968 177.288 176.300 0.033 0.000 1.229 130 D CA 0.031 54.046 54.000 0.025 0.000 0.895 130 D CB 1.156 41.971 40.800 0.024 0.000 1.046 130 D HN 0.098 nan 8.370 nan 0.000 0.498 131 S N 3.842 119.551 115.700 0.016 0.000 2.462 131 S HA -0.179 4.291 4.470 -0.000 0.000 0.243 131 S C 1.458 176.067 174.600 0.015 0.000 1.003 131 S CA 0.720 58.923 58.200 0.005 0.000 0.970 131 S CB 0.124 63.295 63.200 -0.048 0.000 0.762 131 S HN 0.333 nan 8.310 nan 0.000 0.510 132 K N 1.497 121.908 120.400 0.019 0.000 2.099 132 K HA 0.214 4.533 4.320 -0.000 0.000 0.203 132 K C 2.140 178.798 176.600 0.097 0.000 1.047 132 K CA 0.850 57.161 56.287 0.040 0.000 0.963 132 K CB -0.319 32.184 32.500 0.006 0.000 0.759 132 K HN 0.437 nan 8.250 nan 0.000 0.451 133 K N 0.731 121.172 120.400 0.069 0.000 2.155 133 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 133 K C 2.256 178.905 176.600 0.081 0.000 1.052 133 K CA 0.580 56.907 56.287 0.066 0.000 0.948 133 K CB 0.058 32.582 32.500 0.040 0.000 0.728 133 K HN 0.036 nan 8.250 nan 0.000 0.448 134 R N 0.373 120.930 120.500 0.094 0.000 2.073 134 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 134 R C 2.178 178.567 176.300 0.148 0.000 1.120 134 R CA 0.999 57.159 56.100 0.100 0.000 0.967 134 R CB -0.202 30.155 30.300 0.095 0.000 0.862 134 R HN 0.096 nan 8.270 nan 0.000 0.436 135 F N 1.255 121.221 119.950 0.027 0.000 2.134 135 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 135 F C 2.102 177.959 175.800 0.096 0.000 1.097 135 F CA 1.411 59.437 58.000 0.043 0.000 1.264 135 F CB -0.577 38.408 39.000 -0.026 0.000 1.001 135 F HN 0.075 nan 8.300 nan 0.000 0.479 136 A N 0.324 123.176 122.820 0.054 0.000 1.902 136 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 136 A C 2.435 180.057 177.584 0.063 0.000 1.181 136 A CA 1.935 53.989 52.037 0.028 0.000 0.623 136 A CB -1.562 17.484 19.000 0.077 0.000 0.818 136 A HN 0.498 nan 8.150 nan 0.000 0.443 137 A N -0.092 122.755 122.820 0.045 0.000 1.898 137 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 137 A C 2.112 179.699 177.584 0.006 0.000 1.181 137 A CA 1.462 53.517 52.037 0.029 0.000 0.620 137 A CB -0.585 18.432 19.000 0.029 0.000 0.819 137 A HN 0.494 nan 8.150 nan 0.000 0.442 138 I N -2.473 118.100 120.570 0.005 0.000 2.286 138 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 138 I C 2.404 178.507 176.117 -0.023 0.000 1.115 138 I CA 1.438 62.736 61.300 -0.003 0.000 1.392 138 I CB -0.319 37.701 38.000 0.034 0.000 1.065 138 I HN 0.704 nan 8.210 nan 0.000 0.418 139 W N 2.032 123.154 121.300 -0.296 0.000 2.378 139 W HA -0.198 4.462 4.660 -0.000 0.000 0.313 139 W C 2.514 178.928 176.519 -0.174 0.000 1.197 139 W CA 1.960 59.121 57.345 -0.307 0.000 1.304 139 W CB -0.692 28.468 29.460 -0.500 0.000 1.148 139 W HN -0.065 nan 8.180 nan 0.000 0.494 140 T N 1.329 115.756 114.554 -0.211 0.000 2.946 140 T HA -0.195 4.154 4.350 -0.000 0.000 0.271 140 T C 1.484 176.001 174.700 -0.304 0.000 1.104 140 T CA 1.387 63.265 62.100 -0.370 0.000 1.114 140 T CB -0.317 68.474 68.868 -0.128 0.000 0.867 140 T HN 0.046 nan 8.240 nan 0.000 0.513 141 L N -0.566 120.531 121.223 -0.211 0.000 2.357 141 L HA 0.305 4.645 4.340 -0.000 0.000 0.211 141 L C 2.150 178.929 176.870 -0.153 0.000 1.075 141 L CA 0.926 55.677 54.840 -0.147 0.000 0.830 141 L CB -0.260 41.752 42.059 -0.078 0.000 0.996 141 L HN 0.238 nan 8.230 nan 0.000 0.467 142 C N -0.133 119.064 119.300 -0.172 0.000 2.507 142 C HA -0.033 4.427 4.460 -0.000 0.000 0.280 142 C C 2.460 177.344 174.990 -0.177 0.000 1.345 142 C CA 0.409 59.351 59.018 -0.127 0.000 1.736 142 C CB -0.571 27.137 27.740 -0.053 0.000 2.060 142 C HN 0.546 nan 8.230 nan 0.000 0.498 143 K N 0.944 121.142 120.400 -0.337 0.000 2.442 143 K HA -0.147 4.173 4.320 -0.000 0.000 0.200 143 K C 1.340 177.800 176.600 -0.232 0.000 1.045 143 K CA 1.693 57.781 56.287 -0.332 0.000 0.937 143 K CB -0.594 31.526 32.500 -0.634 0.000 0.757 143 K HN 0.404 nan 8.250 nan 0.000 0.474 144 T N 0.991 115.420 114.554 -0.209 0.000 2.706 144 T HA -0.028 4.322 4.350 -0.000 0.000 0.255 144 T C 0.438 175.080 174.700 -0.097 0.000 1.048 144 T CA 0.514 62.527 62.100 -0.145 0.000 1.153 144 T CB 0.025 68.816 68.868 -0.128 0.000 0.865 144 T HN 0.113 nan 8.240 nan 0.000 0.414 145 K N 2.197 122.550 120.400 -0.079 0.000 2.530 145 K HA -0.003 4.317 4.320 -0.000 0.000 0.280 145 K C 0.282 176.859 176.600 -0.040 0.000 1.004 145 K CA 0.503 56.763 56.287 -0.046 0.000 1.071 145 K CB 0.295 32.778 32.500 -0.028 0.000 0.876 145 K HN 0.235 nan 8.250 nan 0.000 0.487 146 M N 2.277 121.862 119.600 -0.026 0.000 2.502 146 M HA 0.150 4.630 4.480 -0.000 0.000 0.351 146 M C -0.636 175.672 176.300 0.013 0.000 1.118 146 M CA -0.271 55.017 55.300 -0.020 0.000 0.952 146 M CB 0.217 32.800 32.600 -0.028 0.000 1.424 146 M HN 0.070 nan 8.290 nan 0.000 0.529 147 V N 0.071 119.995 119.914 0.018 0.000 2.817 147 V HA 0.185 4.305 4.120 -0.000 0.000 0.303 147 V C -0.594 175.518 176.094 0.029 0.000 1.151 147 V CA -1.405 60.914 62.300 0.032 0.000 0.929 147 V CB 2.605 34.441 31.823 0.021 0.000 1.030 147 V HN 0.369 nan 8.190 nan 0.000 0.427 148 C N 5.394 124.717 119.300 0.039 0.000 2.423 148 C HA 0.310 4.770 4.460 -0.000 0.000 0.378 148 C C 0.908 175.906 174.990 0.014 0.000 1.068 148 C CA -0.396 58.643 59.018 0.034 0.000 1.371 148 C CB -1.852 25.915 27.740 0.044 0.000 1.856 148 C HN 0.928 nan 8.230 nan 0.000 0.523 149 E N 3.175 123.381 120.200 0.009 0.000 2.508 149 E HA -0.013 4.337 4.350 -0.000 0.000 0.266 149 E C 1.023 177.616 176.600 -0.012 0.000 1.010 149 E CA 0.412 56.810 56.400 -0.004 0.000 0.955 149 E CB 0.707 30.402 29.700 -0.008 0.000 0.946 149 E HN 0.702 nan 8.360 nan 0.000 0.454 150 T N 1.343 115.884 114.554 -0.022 0.000 3.045 150 T HA 0.009 4.359 4.350 -0.000 0.000 0.239 150 T C -0.117 174.555 174.700 -0.046 0.000 1.008 150 T CA 0.382 62.465 62.100 -0.029 0.000 1.143 150 T CB 0.326 69.177 68.868 -0.028 0.000 0.894 150 T HN 0.398 nan 8.240 nan 0.000 0.451 151 D N 0.591 120.961 120.400 -0.050 0.000 2.433 151 D HA 0.658 5.298 4.640 -0.000 0.000 0.236 151 D C -0.999 175.254 176.300 -0.078 0.000 1.026 151 D CA -0.280 53.677 54.000 -0.072 0.000 0.884 151 D CB 2.928 43.696 40.800 -0.054 0.000 1.384 151 D HN -0.022 nan 8.370 nan 0.000 0.477 152 V N 1.408 121.253 119.914 -0.114 0.000 3.087 152 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 152 V C -2.507 173.531 176.094 -0.092 0.000 1.187 152 V CA -1.658 60.582 62.300 -0.099 0.000 0.999 152 V CB 2.877 34.628 31.823 -0.120 0.000 1.049 152 V HN 0.419 nan 8.190 nan 0.000 0.431 153 P HA 0.136 nan 4.420 nan 0.000 0.267 153 P C 0.001 177.291 177.300 -0.016 0.000 1.205 153 P CA 0.273 63.355 63.100 -0.029 0.000 0.765 153 P CB 0.859 32.551 31.700 -0.013 0.000 0.828 154 S N 2.630 118.324 115.700 -0.010 0.000 2.602 154 S HA 0.081 4.551 4.470 -0.000 0.000 0.257 154 S C 1.077 175.699 174.600 0.037 0.000 1.250 154 S CA -0.339 57.874 58.200 0.022 0.000 0.986 154 S CB 0.003 63.212 63.200 0.015 0.000 1.040 154 S HN 0.467 nan 8.310 nan 0.000 0.562 155 E N 0.609 120.837 120.200 0.046 0.000 2.478 155 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 155 E C 0.062 176.675 176.600 0.021 0.000 1.045 155 E CA 0.383 56.804 56.400 0.035 0.000 0.868 155 E CB -0.035 29.686 29.700 0.035 0.000 0.885 155 E HN 0.540 nan 8.360 nan 0.000 0.505 156 D N 1.031 121.441 120.400 0.018 0.000 2.733 156 D HA 0.051 4.691 4.640 -0.000 0.000 0.239 156 D C 0.125 176.429 176.300 0.007 0.000 1.225 156 D CA -0.377 53.630 54.000 0.011 0.000 1.168 156 D CB -0.259 40.547 40.800 0.010 0.000 1.110 156 D HN -0.109 nan 8.370 nan 0.000 0.440 157 D N 2.286 122.688 120.400 0.004 0.000 2.383 157 D HA 0.068 4.708 4.640 -0.000 0.000 0.252 157 D C -1.413 174.886 176.300 -0.002 0.000 1.166 157 D CA -0.981 53.019 54.000 0.001 0.000 0.879 157 D CB 1.519 42.319 40.800 -0.000 0.000 1.164 157 D HN 0.106 nan 8.370 nan 0.000 0.462 158 P HA -0.103 nan 4.420 nan 0.000 0.236 158 P C 0.958 178.253 177.300 -0.008 0.000 1.172 158 P CA 0.667 63.764 63.100 -0.005 0.000 0.759 158 P CB 0.168 31.866 31.700 -0.004 0.000 0.843 159 T N -1.298 113.252 114.554 -0.006 0.000 2.857 159 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 159 T C 1.079 175.773 174.700 -0.010 0.000 1.048 159 T CA 0.941 63.036 62.100 -0.007 0.000 1.139 159 T CB -0.262 68.603 68.868 -0.005 0.000 0.874 159 T HN 0.333 nan 8.240 nan 0.000 0.455 160 Q N 0.717 120.511 119.800 -0.010 0.000 2.241 160 Q HA 0.589 4.928 4.340 -0.000 0.000 0.254 160 Q C -0.774 175.213 176.000 -0.022 0.000 0.917 160 Q CA -0.366 55.429 55.803 -0.013 0.000 0.919 160 Q CB 1.760 30.492 28.738 -0.009 0.000 1.237 160 Q HN 0.344 nan 8.270 nan 0.000 0.434 161 L N 1.368 122.573 121.223 -0.030 0.000 2.358 161 L HA 0.663 5.003 4.340 -0.000 0.000 0.268 161 L C -0.443 176.388 176.870 -0.065 0.000 1.032 161 L CA -1.136 53.675 54.840 -0.048 0.000 0.805 161 L CB 1.602 43.633 42.059 -0.046 0.000 1.253 161 L HN 0.317 nan 8.230 nan 0.000 0.452 162 V N -0.162 119.685 119.914 -0.113 0.000 2.656 162 V HA 0.372 4.492 4.120 -0.000 0.000 0.307 162 V C 0.008 175.992 176.094 -0.183 0.000 1.051 162 V CA -0.672 61.533 62.300 -0.158 0.000 0.893 162 V CB 1.831 33.489 31.823 -0.276 0.000 0.999 162 V HN 0.916 nan 8.190 nan 0.000 0.426 163 S N 5.291 120.919 115.700 -0.121 0.000 2.669 163 S HA 0.861 5.331 4.470 -0.000 0.000 0.270 163 S C -0.179 174.370 174.600 -0.086 0.000 1.225 163 S CA -0.674 57.472 58.200 -0.089 0.000 0.991 163 S CB 1.880 65.054 63.200 -0.043 0.000 0.987 163 S HN 0.885 nan 8.310 nan 0.000 0.552 164 R N -0.049 120.425 120.500 -0.043 0.000 3.972 164 R HA 0.547 4.887 4.340 -0.000 0.000 0.228 164 R C 0.209 176.516 176.300 0.011 0.000 0.975 164 R CA -0.793 55.309 56.100 0.004 0.000 0.768 164 R CB -0.429 29.881 30.300 0.016 0.000 1.640 164 R HN 0.737 nan 8.270 nan 0.000 0.384 165 G N 0.670 109.484 108.800 0.024 0.000 2.272 165 G HA2 0.323 4.283 3.960 -0.000 0.000 0.274 165 G HA3 0.323 4.283 3.960 -0.000 0.000 0.274 165 G C 0.370 175.273 174.900 0.004 0.000 1.136 165 G CA 0.175 45.286 45.100 0.020 0.000 1.098 165 G HN 0.643 nan 8.290 nan 0.000 0.425 166 G N 0.778 109.576 108.800 -0.002 0.000 2.624 166 G HA2 0.335 4.295 3.960 -0.000 0.000 0.292 166 G HA3 0.335 4.295 3.960 -0.000 0.000 0.292 166 G C 0.085 174.968 174.900 -0.028 0.000 0.777 166 G CA 0.174 45.265 45.100 -0.015 0.000 1.883 166 G HN 1.124 nan 8.290 nan 0.000 0.505 167 C N 2.719 121.998 119.300 -0.035 0.000 3.080 167 C HA 0.532 4.992 4.460 -0.000 0.000 0.388 167 C C 1.248 176.205 174.990 -0.054 0.000 1.079 167 C CA -0.108 58.870 59.018 -0.067 0.000 1.289 167 C CB 0.338 28.043 27.740 -0.057 0.000 1.702 167 C HN 0.695 nan 8.230 nan 0.000 0.516 168 G N 3.804 112.566 108.800 -0.063 0.000 2.985 168 G HA2 0.072 4.032 3.960 -0.000 0.000 0.209 168 G HA3 0.072 4.032 3.960 -0.000 0.000 0.209 168 G C 0.507 175.393 174.900 -0.024 0.000 1.165 168 G CA -0.015 45.063 45.100 -0.036 0.000 0.776 168 G HN 0.812 nan 8.290 nan 0.000 0.541 169 N N 1.312 119.977 118.700 -0.058 0.000 2.237 169 N HA -0.048 4.692 4.740 -0.000 0.000 0.245 169 N C 0.269 175.833 175.510 0.090 0.000 1.239 169 N CA 0.806 53.851 53.050 -0.009 0.000 0.842 169 N CB 0.383 38.831 38.487 -0.066 0.000 1.089 169 N HN -0.043 nan 8.380 nan 0.000 0.454 170 T N 1.934 116.584 114.554 0.160 0.000 2.907 170 T HA 0.041 4.391 4.350 -0.000 0.000 0.298 170 T C 0.679 175.569 174.700 0.317 0.000 1.017 170 T CA -0.206 62.026 62.100 0.219 0.000 1.118 170 T CB 0.910 69.932 68.868 0.257 0.000 0.948 170 T HN 0.305 nan 8.240 nan 0.000 0.531 171 Q N 3.372 123.258 119.800 0.143 0.000 2.235 171 Q HA 0.398 4.738 4.340 -0.000 0.000 0.250 171 Q C -2.410 173.438 176.000 -0.254 0.000 0.909 171 Q CA -1.998 53.826 55.803 0.036 0.000 0.910 171 Q CB 0.945 29.688 28.738 0.008 0.000 1.223 171 Q HN 0.290 nan 8.270 nan 0.000 0.432 172 P HA 0.226 nan 4.420 nan 0.000 0.290 172 P C -1.029 175.998 177.300 -0.454 0.000 1.275 172 P CA -0.567 61.960 63.100 -0.955 0.000 0.841 172 P CB 1.314 31.954 31.700 -1.767 0.000 1.042 173 T N 3.574 117.909 114.554 -0.366 0.000 2.727 173 T HA 0.369 4.719 4.350 -0.000 0.000 0.298 173 T C 0.546 175.145 174.700 -0.168 0.000 0.942 173 T CA -0.096 61.890 62.100 -0.191 0.000 0.997 173 T CB -0.548 68.243 68.868 -0.129 0.000 0.917 173 T HN 0.206 nan 8.240 nan 0.000 0.487 174 I N 5.022 125.530 120.570 -0.103 0.000 2.396 174 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 174 I C 0.753 176.868 176.117 -0.002 0.000 0.999 174 I CA -0.726 60.543 61.300 -0.053 0.000 1.310 174 I CB 0.854 38.849 38.000 -0.008 0.000 1.404 174 I HN 0.536 nan 8.210 nan 0.000 0.496 175 R N 5.016 125.521 120.500 0.008 0.000 2.888 175 R HA 0.640 4.980 4.340 -0.000 0.000 0.266 175 R C -1.214 175.108 176.300 0.037 0.000 1.020 175 R CA -1.150 54.965 56.100 0.025 0.000 0.963 175 R CB 1.901 32.214 30.300 0.022 0.000 1.197 175 R HN 0.434 nan 8.270 nan 0.000 0.481 176 K N 0.968 121.391 120.400 0.038 0.000 2.274 176 K HA 0.199 4.519 4.320 -0.000 0.000 0.262 176 K C -1.283 175.347 176.600 0.050 0.000 0.961 176 K CA -0.611 55.701 56.287 0.042 0.000 0.833 176 K CB 1.393 33.909 32.500 0.026 0.000 1.102 176 K HN 0.596 nan 8.250 nan 0.000 0.436 177 D N 3.949 124.389 120.400 0.065 0.000 2.412 177 D HA 0.232 4.871 4.640 -0.000 0.000 0.276 177 D C 0.576 176.925 176.300 0.081 0.000 1.196 177 D CA 0.496 54.536 54.000 0.067 0.000 0.905 177 D CB 1.203 42.044 40.800 0.068 0.000 1.081 177 D HN 0.941 nan 8.370 nan 0.000 0.502 178 G N 1.770 110.616 108.800 0.078 0.000 2.609 178 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.288 178 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.288 178 G C 0.577 175.546 174.900 0.115 0.000 1.211 178 G CA 0.070 45.228 45.100 0.096 0.000 0.963 178 G HN 0.455 nan 8.290 nan 0.000 0.541 179 L N 1.148 122.460 121.223 0.149 0.000 2.872 179 L HA 0.423 4.763 4.340 -0.000 0.000 0.245 179 L C 0.593 177.618 176.870 0.258 0.000 1.211 179 L CA 0.098 55.056 54.840 0.196 0.000 1.013 179 L CB 0.115 42.298 42.059 0.208 0.000 1.326 179 L HN 0.242 nan 8.230 nan 0.000 0.525 180 K N 0.812 121.336 120.400 0.208 0.000 2.435 180 K HA 0.654 4.974 4.320 -0.000 0.000 0.251 180 K C -1.131 175.589 176.600 0.200 0.000 0.954 180 K CA -0.722 55.709 56.287 0.241 0.000 0.820 180 K CB 3.112 35.707 32.500 0.158 0.000 1.292 180 K HN -0.054 nan 8.250 nan 0.000 0.436 181 L N 2.239 123.607 121.223 0.242 0.000 2.322 181 L HA 0.544 4.883 4.340 -0.000 0.000 0.281 181 L C -0.783 176.171 176.870 0.140 0.000 1.014 181 L CA -1.187 53.748 54.840 0.157 0.000 0.815 181 L CB 1.751 43.903 42.059 0.154 0.000 1.247 181 L HN 0.269 nan 8.230 nan 0.000 0.421 182 V N 1.644 121.615 119.914 0.095 0.000 2.604 182 V HA 0.734 4.854 4.120 -0.000 0.000 0.305 182 V C 0.353 176.465 176.094 0.029 0.000 1.043 182 V CA -0.537 61.816 62.300 0.089 0.000 0.888 182 V CB 1.777 33.650 31.823 0.083 0.000 0.995 182 V HN 0.869 nan 8.190 nan 0.000 0.429 183 G N 1.902 110.714 108.800 0.020 0.000 2.453 183 G HA2 0.664 4.624 3.960 -0.000 0.000 0.323 183 G HA3 0.664 4.624 3.960 -0.000 0.000 0.323 183 G C -0.562 174.222 174.900 -0.193 0.000 1.198 183 G CA -0.494 44.469 45.100 -0.229 0.000 0.959 183 G HN 0.912 nan 8.290 nan 0.000 0.482 184 S N 0.751 116.256 115.700 -0.325 0.000 2.596 184 S HA 0.573 5.043 4.470 -0.000 0.000 0.318 184 S C -0.658 173.828 174.600 -0.191 0.000 1.097 184 S CA -0.887 57.255 58.200 -0.098 0.000 1.080 184 S CB 1.123 64.300 63.200 -0.038 0.000 0.991 184 S HN 0.592 nan 8.310 nan 0.000 0.471 185 W N 1.997 123.317 121.300 0.034 0.000 2.367 185 W HA 0.687 5.347 4.660 -0.000 0.000 0.369 185 W C 0.435 176.968 176.519 0.023 0.000 1.276 185 W CA -0.835 56.529 57.345 0.031 0.000 1.415 185 W CB 1.596 31.077 29.460 0.035 0.000 1.306 185 W HN 0.809 nan 8.180 nan 0.000 0.669 186 K N 0.831 121.390 120.400 0.266 0.000 2.894 186 K HA 0.117 4.437 4.320 -0.000 0.000 0.293 186 K C -1.200 175.470 176.600 0.117 0.000 1.091 186 K CA -0.616 55.759 56.287 0.147 0.000 0.865 186 K CB 1.243 33.795 32.500 0.086 0.000 1.441 186 K HN 0.366 nan 8.250 nan 0.000 0.361 197 P HA 0.411 nan 4.420 nan 0.000 0.284 197 P C -0.954 176.409 177.300 0.106 0.000 1.292 197 P CA -0.513 62.638 63.100 0.085 0.000 0.800 197 P CB 1.120 32.861 31.700 0.068 0.000 1.188 198 E N -0.266 120.033 120.200 0.164 0.000 2.222 198 E HA 0.514 4.864 4.350 -0.000 0.000 0.267 198 E C -0.956 175.791 176.600 0.244 0.000 0.884 198 E CA -0.661 55.849 56.400 0.182 0.000 0.764 198 E CB 1.677 31.491 29.700 0.191 0.000 1.169 198 E HN 0.310 nan 8.360 nan 0.000 0.413 199 L N 3.741 125.079 121.223 0.191 0.000 2.342 199 L HA 0.543 4.883 4.340 -0.000 0.000 0.276 199 L C -0.417 176.578 176.870 0.208 0.000 0.997 199 L CA -0.709 54.251 54.840 0.200 0.000 0.838 199 L CB 1.178 43.311 42.059 0.123 0.000 1.224 199 L HN 0.392 nan 8.230 nan 0.000 0.416 200 R N 3.147 123.830 120.500 0.304 0.000 2.502 200 R HA 0.616 4.956 4.340 -0.000 0.000 0.300 200 R C -1.259 175.197 176.300 0.260 0.000 0.984 200 R CA -0.688 55.557 56.100 0.242 0.000 0.882 200 R CB 1.785 32.196 30.300 0.185 0.000 1.180 200 R HN 0.280 nan 8.270 nan 0.000 0.444 201 V N 4.810 124.830 119.914 0.177 0.000 2.788 201 V HA 0.010 4.130 4.120 -0.000 0.000 0.307 201 V C 0.737 176.935 176.094 0.174 0.000 1.069 201 V CA 0.056 62.452 62.300 0.160 0.000 1.173 201 V CB 0.573 32.469 31.823 0.122 0.000 0.925 201 V HN 0.649 nan 8.190 nan 0.000 0.492 202 L N 5.355 126.689 121.223 0.185 0.000 2.295 202 L HA 0.264 4.604 4.340 -0.000 0.000 0.288 202 L C 0.847 177.790 176.870 0.121 0.000 1.079 202 L CA -0.010 54.939 54.840 0.183 0.000 0.830 202 L CB 0.883 43.067 42.059 0.209 0.000 1.200 202 L HN 0.897 nan 8.230 nan 0.000 0.438 203 S N 0.781 116.515 115.700 0.057 0.000 2.579 203 S HA 0.046 4.515 4.470 -0.000 0.000 0.275 203 S C 1.202 175.740 174.600 -0.105 0.000 1.345 203 S CA -0.522 57.660 58.200 -0.028 0.000 1.031 203 S CB 1.166 64.349 63.200 -0.028 0.000 0.892 203 S HN 0.614 nan 8.310 nan 0.000 0.529 204 T N 0.987 115.381 114.554 -0.267 0.000 2.881 204 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 204 T C 1.536 176.107 174.700 -0.214 0.000 1.068 204 T CA 1.620 63.469 62.100 -0.419 0.000 1.131 204 T CB -0.366 68.155 68.868 -0.578 0.000 0.871 204 T HN 0.814 nan 8.240 nan 0.000 0.479 205 E N 0.687 120.806 120.200 -0.135 0.000 2.152 205 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 205 E C 2.057 178.616 176.600 -0.068 0.000 0.983 205 E CA 0.713 57.061 56.400 -0.086 0.000 0.818 205 E CB 0.131 29.797 29.700 -0.057 0.000 0.758 205 E HN 0.607 nan 8.360 nan 0.000 0.467 206 E N 0.482 120.648 120.200 -0.056 0.000 2.072 206 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 206 E C 2.167 178.729 176.600 -0.063 0.000 0.985 206 E CA 0.760 57.139 56.400 -0.035 0.000 0.801 206 E CB 0.027 29.729 29.700 0.003 0.000 0.750 206 E HN 0.306 nan 8.360 nan 0.000 0.452 207 I N 1.500 122.000 120.570 -0.116 0.000 2.179 207 I HA -0.237 3.932 4.170 -0.000 0.000 0.242 207 I C 2.610 178.424 176.117 -0.504 0.000 1.088 207 I CA 1.041 62.150 61.300 -0.319 0.000 1.357 207 I CB -1.088 36.761 38.000 -0.251 0.000 1.051 207 I HN 0.188 nan 8.210 nan 0.000 0.409 208 L N 0.816 121.864 121.223 -0.292 0.000 2.043 208 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 208 L C 2.432 179.261 176.870 -0.069 0.000 1.075 208 L CA 1.683 56.416 54.840 -0.178 0.000 0.752 208 L CB -0.318 41.692 42.059 -0.082 0.000 0.891 208 L HN 0.359 nan 8.230 nan 0.000 0.432 209 N N -0.091 118.589 118.700 -0.034 0.000 2.216 209 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 209 N C 1.879 177.478 175.510 0.149 0.000 1.017 209 N CA 1.257 54.339 53.050 0.054 0.000 0.861 209 N CB -0.027 38.497 38.487 0.061 0.000 0.986 209 N HN 0.378 nan 8.380 nan 0.000 0.428 210 I N 0.667 121.307 120.570 0.117 0.000 2.179 210 I HA -0.275 3.894 4.170 -0.000 0.000 0.242 210 I C 1.868 178.194 176.117 0.347 0.000 1.088 210 I CA 0.965 62.395 61.300 0.215 0.000 1.357 210 I CB -0.269 37.835 38.000 0.174 0.000 1.051 210 I HN -0.035 nan 8.210 nan 0.000 0.409 211 F N 1.572 121.548 119.950 0.044 0.000 2.065 211 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 211 F C 2.384 178.158 175.800 -0.043 0.000 1.112 211 F CA 1.385 59.364 58.000 -0.035 0.000 1.212 211 F CB -1.157 37.777 39.000 -0.110 0.000 0.975 211 F HN 0.037 nan 8.300 nan 0.000 0.476 212 K N -1.055 119.440 120.400 0.159 0.000 2.519 212 K HA -0.161 4.159 4.320 -0.000 0.000 0.196 212 K C 1.254 177.846 176.600 -0.014 0.000 1.041 212 K CA 0.728 57.026 56.287 0.019 0.000 0.954 212 K CB -0.235 32.246 32.500 -0.031 0.000 0.774 212 K HN 0.347 nan 8.250 nan 0.000 0.480 213 H N -0.250 118.875 119.070 0.092 0.000 2.652 213 H HA 0.218 4.774 4.556 -0.000 0.000 0.274 213 H C 0.082 175.460 175.328 0.083 0.000 1.021 213 H CA -0.053 56.043 56.048 0.081 0.000 1.187 213 H CB 0.376 30.187 29.762 0.081 0.000 1.505 213 H HN 0.032 nan 8.280 nan 0.000 0.530 214 I N 2.305 122.993 120.570 0.196 0.000 2.395 214 I HA 0.022 4.192 4.170 -0.000 0.000 0.289 214 I C 0.903 177.092 176.117 0.120 0.000 1.023 214 I CA -0.434 60.956 61.300 0.150 0.000 1.350 214 I CB 1.254 39.328 38.000 0.124 0.000 1.409 214 I HN 0.069 nan 8.210 nan 0.000 0.507 215 S N 4.651 120.354 115.700 0.006 0.000 2.589 215 S HA 0.136 4.606 4.470 -0.000 0.000 0.265 215 S C 1.120 175.413 174.600 -0.511 0.000 1.342 215 S CA -0.906 57.215 58.200 -0.132 0.000 1.005 215 S CB 1.437 64.572 63.200 -0.109 0.000 0.909 215 S HN 0.410 nan 8.310 nan 0.000 0.555 216 V N 1.987 121.531 119.914 -0.617 0.000 2.343 216 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 216 V C 2.654 178.222 176.094 -0.877 0.000 1.051 216 V CA 1.901 63.514 62.300 -1.144 0.000 1.036 216 V CB -0.919 30.619 31.823 -0.477 0.000 0.654 216 V HN 0.866 nan 8.190 nan 0.000 0.451 217 K N -0.364 119.780 120.400 -0.428 0.000 2.097 217 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 217 K C 1.917 178.388 176.600 -0.214 0.000 1.049 217 K CA 1.615 57.752 56.287 -0.251 0.000 0.933 217 K CB -0.264 32.151 32.500 -0.141 0.000 0.717 217 K HN 0.471 nan 8.250 nan 0.000 0.442 218 D N 0.500 120.767 120.400 -0.222 0.000 2.103 218 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 218 D C 1.778 178.076 176.300 -0.004 0.000 0.978 218 D CA 1.074 55.024 54.000 -0.084 0.000 0.829 218 D CB -0.162 40.619 40.800 -0.031 0.000 0.981 218 D HN 0.244 nan 8.370 nan 0.000 0.464 219 F N 0.440 120.377 119.950 -0.021 0.000 2.456 219 F HA 0.144 4.671 4.527 -0.000 0.000 0.298 219 F C 2.036 177.918 175.800 0.137 0.000 1.104 219 F CA 0.575 58.566 58.000 -0.014 0.000 1.435 219 F CB -1.174 37.665 39.000 -0.268 0.000 1.078 219 F HN -0.269 nan 8.300 nan 0.000 0.546 220 T N 0.360 114.966 114.554 0.086 0.000 2.942 220 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 220 T C 2.206 176.980 174.700 0.124 0.000 1.062 220 T CA 1.588 63.779 62.100 0.152 0.000 1.139 220 T CB -0.459 68.390 68.868 -0.032 0.000 0.883 220 T HN 0.556 nan 8.240 nan 0.000 0.468 221 S N 0.945 116.695 115.700 0.082 0.000 2.423 221 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 221 S C 1.045 175.747 174.600 0.169 0.000 1.014 221 S CA 0.351 58.606 58.200 0.093 0.000 0.965 221 S CB -0.593 62.645 63.200 0.063 0.000 0.785 221 S HN 0.365 nan 8.310 nan 0.000 0.495 222 L N 0.298 121.677 121.223 0.260 0.000 2.600 222 L HA 0.462 4.802 4.340 -0.000 0.000 0.221 222 L C 1.874 178.841 176.870 0.162 0.000 1.197 222 L CA -0.227 54.836 54.840 0.372 0.000 0.838 222 L CB -0.132 42.268 42.059 0.567 0.000 1.474 222 L HN 0.284 nan 8.230 nan 0.000 0.514 223 G N -0.637 108.060 108.800 -0.173 0.000 3.210 223 G HA2 0.122 4.082 3.960 -0.000 0.000 0.220 223 G HA3 0.122 4.082 3.960 -0.000 0.000 0.220 223 G C 0.008 174.651 174.900 -0.429 0.000 1.200 223 G CA -0.215 44.686 45.100 -0.331 0.000 0.834 223 G HN 0.136 nan 8.290 nan 0.000 0.524 224 F N -0.017 119.923 119.950 -0.017 0.000 2.370 224 F HA 0.348 4.875 4.527 -0.000 0.000 0.324 224 F C 0.584 176.458 175.800 0.123 0.000 1.116 224 F CA -1.155 56.840 58.000 -0.009 0.000 1.123 224 F CB 0.981 39.902 39.000 -0.132 0.000 1.238 224 F HN -0.085 nan 8.300 nan 0.000 0.536 225 N N 1.693 120.546 118.700 0.255 0.000 2.443 225 N HA 0.040 4.780 4.740 -0.000 0.000 0.269 225 N C 0.611 176.243 175.510 0.203 0.000 0.985 225 N CA -0.165 53.034 53.050 0.248 0.000 0.921 225 N CB 1.276 39.921 38.487 0.264 0.000 1.195 225 N HN 0.906 nan 8.380 nan 0.000 0.492 226 E N 2.621 123.027 120.200 0.344 0.000 2.396 226 E HA -0.101 4.249 4.350 -0.000 0.000 0.200 226 E C 0.024 176.663 176.600 0.065 0.000 1.023 226 E CA 1.128 57.716 56.400 0.313 0.000 0.857 226 E CB 0.348 30.227 29.700 0.298 0.000 0.775 226 E HN 0.365 nan 8.360 nan 0.000 0.525 227 V N -0.757 119.148 119.914 -0.015 0.000 2.854 227 V HA 0.040 4.159 4.120 -0.000 0.000 0.236 227 V C 1.422 177.481 176.094 -0.058 0.000 1.157 227 V CA 0.647 62.842 62.300 -0.175 0.000 1.187 227 V CB -0.264 31.189 31.823 -0.617 0.000 0.949 227 V HN 0.244 nan 8.190 nan 0.000 0.488 228 F N 1.295 121.395 119.950 0.250 0.000 2.754 228 F HA 0.193 4.720 4.527 -0.000 0.000 0.297 228 F C 0.977 177.000 175.800 0.371 0.000 1.122 228 F CA 0.640 58.795 58.000 0.257 0.000 1.400 228 F CB 0.397 39.472 39.000 0.125 0.000 1.117 228 F HN 0.248 nan 8.300 nan 0.000 0.587 229 S N -0.122 115.841 115.700 0.439 0.000 2.564 229 S HA 0.379 4.849 4.470 -0.000 0.000 0.141 229 S C -0.566 173.964 174.600 -0.116 0.000 1.474 229 S CA -0.855 57.528 58.200 0.304 0.000 1.236 229 S CB 0.136 63.473 63.200 0.228 0.000 1.481 229 S HN 0.076 nan 8.310 nan 0.000 0.397 230 R N 1.852 121.837 120.500 -0.859 0.000 2.438 230 R HA 0.334 4.674 4.340 -0.000 0.000 0.287 230 R C -1.793 173.873 176.300 -1.056 0.000 1.077 230 R CA -2.022 53.216 56.100 -1.436 0.000 1.034 230 R CB 0.415 29.440 30.300 -2.124 0.000 0.993 230 R HN 0.245 nan 8.270 nan 0.000 0.459 231 P HA -0.300 nan 4.420 nan 0.000 0.216 231 P C 0.665 177.716 177.300 -0.416 0.000 1.157 231 P CA 1.569 63.985 63.100 -1.141 0.000 0.880 231 P CB 0.048 30.765 31.700 -1.638 0.000 0.791 232 E N -1.331 118.654 120.200 -0.358 0.000 2.233 232 E HA -0.232 4.117 4.350 -0.000 0.000 0.199 232 E C 1.144 177.795 176.600 0.085 0.000 1.004 232 E CA 1.181 57.565 56.400 -0.026 0.000 0.819 232 E CB -1.186 28.416 29.700 -0.163 0.000 0.738 232 E HN 0.341 nan 8.360 nan 0.000 0.478 233 W N 0.445 121.708 121.300 -0.062 0.000 3.047 233 W HA 0.251 4.911 4.660 -0.000 0.000 0.250 233 W C 1.731 178.199 176.519 -0.085 0.000 1.314 233 W CA -0.041 57.273 57.345 -0.051 0.000 1.540 233 W CB -0.518 28.908 29.460 -0.056 0.000 1.127 233 W HN 0.144 nan 8.180 nan 0.000 0.679 234 M N -0.107 119.521 119.600 0.047 0.000 2.562 234 M HA -0.018 4.462 4.480 -0.000 0.000 0.257 234 M C 0.310 176.710 176.300 0.166 0.000 1.099 234 M CA 0.910 56.127 55.300 -0.139 0.000 1.099 234 M CB -0.032 32.457 32.600 -0.186 0.000 1.427 234 M HN -0.371 nan 8.290 nan 0.000 0.489 235 I N 1.972 122.674 120.570 0.221 0.000 2.315 235 I HA 0.243 4.412 4.170 -0.000 0.000 0.291 235 I C -0.127 176.104 176.117 0.189 0.000 1.006 235 I CA -0.495 60.947 61.300 0.237 0.000 1.265 235 I CB 0.591 38.689 38.000 0.163 0.000 1.387 235 I HN 0.085 nan 8.210 nan 0.000 0.475 236 L N 6.346 127.677 121.223 0.179 0.000 2.360 236 L HA 0.238 4.577 4.340 -0.000 0.000 0.276 236 L C 1.103 178.017 176.870 0.073 0.000 1.121 236 L CA 0.124 55.038 54.840 0.122 0.000 0.845 236 L CB 0.837 42.961 42.059 0.108 0.000 1.143 236 L HN 0.672 nan 8.230 nan 0.000 0.452 237 T N 0.765 115.355 114.554 0.059 0.000 3.098 237 T HA 0.022 4.372 4.350 -0.000 0.000 0.246 237 T C 0.088 174.805 174.700 0.027 0.000 0.983 237 T CA 0.178 62.300 62.100 0.038 0.000 1.094 237 T CB 0.442 69.337 68.868 0.045 0.000 1.035 237 T HN 0.635 nan 8.240 nan 0.000 0.456 238 C N 3.124 122.438 119.300 0.024 0.000 2.301 238 C HA 0.769 5.229 4.460 -0.000 0.000 0.323 238 C C -0.333 174.665 174.990 0.014 0.000 1.265 238 C CA -1.280 57.756 59.018 0.031 0.000 1.503 238 C CB -1.073 26.688 27.740 0.035 0.000 2.195 238 C HN 0.572 nan 8.230 nan 0.000 0.477 239 L N 9.101 130.337 121.223 0.021 0.000 2.307 239 L HA 0.614 4.953 4.340 -0.000 0.000 0.282 239 L C -1.969 174.934 176.870 0.056 0.000 1.051 239 L CA -1.535 53.326 54.840 0.035 0.000 0.804 239 L CB 2.107 44.178 42.059 0.020 0.000 1.197 239 L HN 0.551 nan 8.230 nan 0.000 0.431 240 P HA 0.093 nan 4.420 nan 0.000 0.286 240 P C -0.977 176.493 177.300 0.282 0.000 1.269 240 P CA -0.260 62.949 63.100 0.181 0.000 0.787 240 P CB 1.621 33.406 31.700 0.142 0.000 0.920 241 V N 6.692 126.756 119.914 0.249 0.000 2.334 241 V HA 0.198 4.318 4.120 -0.000 0.000 0.267 241 V C -1.698 174.391 176.094 -0.009 0.000 1.040 241 V CA -1.991 60.380 62.300 0.118 0.000 0.866 241 V CB 0.879 32.718 31.823 0.026 0.000 1.019 241 V HN 0.557 nan 8.190 nan 0.000 0.468 242 P HA 0.144 nan 4.420 nan 0.000 0.264 242 P C -2.511 174.529 177.300 -0.433 0.000 1.193 242 P CA -1.065 61.772 63.100 -0.439 0.000 0.763 242 P CB 0.325 31.995 31.700 -0.050 0.000 0.810 243 P HA 0.092 nan 4.420 nan 0.000 0.271 243 P C -1.966 175.221 177.300 -0.189 0.000 1.233 243 P CA -1.459 61.443 63.100 -0.330 0.000 0.789 243 P CB -0.569 30.925 31.700 -0.343 0.000 0.951 244 P HA -0.185 nan 4.420 nan 0.000 0.219 244 P C -0.891 176.364 177.300 -0.074 0.000 1.158 244 P CA 2.924 65.979 63.100 -0.074 0.000 0.895 244 P CB -1.950 29.723 31.700 -0.046 0.000 0.792 245 P HA -0.145 nan 4.420 nan 0.000 0.217 245 P C 1.310 178.575 177.300 -0.057 0.000 1.148 245 P CA 1.570 64.631 63.100 -0.064 0.000 0.834 245 P CB -0.380 31.279 31.700 -0.069 0.000 0.783 246 V N 0.840 120.712 119.914 -0.071 0.000 2.450 246 V HA -0.052 4.068 4.120 -0.000 0.000 0.222 246 V C 1.825 177.892 176.094 -0.046 0.000 1.102 246 V CA 1.030 63.301 62.300 -0.047 0.000 1.102 246 V CB -1.234 30.564 31.823 -0.041 0.000 0.715 246 V HN 0.141 nan 8.190 nan 0.000 0.491 261 D N 1.423 121.432 120.400 -0.653 0.000 2.154 261 D HA -0.180 4.460 4.640 -0.000 0.000 0.190 261 D C 2.093 178.262 176.300 -0.219 0.000 1.003 261 D CA 1.263 54.939 54.000 -0.539 0.000 0.849 261 D CB 0.132 40.806 40.800 -0.211 0.000 0.942 261 D HN 0.402 nan 8.370 nan 0.000 0.446 262 L N 0.810 121.977 121.223 -0.093 0.000 2.081 262 L HA -0.203 4.136 4.340 -0.000 0.000 0.212 262 L C 2.636 179.536 176.870 0.050 0.000 1.080 262 L CA 1.432 56.316 54.840 0.073 0.000 0.754 262 L CB -0.879 41.252 42.059 0.119 0.000 0.893 262 L HN 0.087 nan 8.230 nan 0.000 0.433 263 T N -0.508 114.026 114.554 -0.034 0.000 2.833 263 T HA -0.153 4.196 4.350 -0.000 0.000 0.269 263 T C 1.673 176.468 174.700 0.159 0.000 1.054 263 T CA 1.194 63.306 62.100 0.022 0.000 1.135 263 T CB -0.307 68.564 68.868 0.007 0.000 0.869 263 T HN 0.221 nan 8.240 nan 0.000 0.466 264 F N 1.333 121.269 119.950 -0.023 0.000 2.031 264 F HA -0.106 4.420 4.527 -0.000 0.000 0.295 264 F C 2.686 178.440 175.800 -0.076 0.000 1.133 264 F CA 0.796 58.773 58.000 -0.039 0.000 1.188 264 F CB -0.248 38.741 39.000 -0.018 0.000 0.974 264 F HN 0.035 nan 8.300 nan 0.000 0.473 265 K N 1.260 121.760 120.400 0.167 0.000 2.173 265 K HA -0.189 4.130 4.320 -0.000 0.000 0.207 265 K C 1.674 178.198 176.600 -0.126 0.000 1.046 265 K CA 1.299 57.600 56.287 0.024 0.000 0.929 265 K CB -0.605 31.985 32.500 0.149 0.000 0.720 265 K HN 0.273 nan 8.250 nan 0.000 0.453 266 L N -0.805 120.342 121.223 -0.126 0.000 2.109 266 L HA -0.030 4.309 4.340 -0.000 0.000 0.207 266 L C 2.419 179.208 176.870 -0.134 0.000 1.086 266 L CA 0.956 55.658 54.840 -0.229 0.000 0.760 266 L CB -0.648 41.301 42.059 -0.183 0.000 0.910 266 L HN 0.230 nan 8.230 nan 0.000 0.437 267 A N 0.140 122.927 122.820 -0.056 0.000 1.851 267 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 267 A C 2.027 179.561 177.584 -0.084 0.000 1.195 267 A CA 2.151 54.163 52.037 -0.043 0.000 0.622 267 A CB -0.693 18.303 19.000 -0.007 0.000 0.831 267 A HN 0.359 nan 8.150 nan 0.000 0.444 268 D N -0.288 120.026 120.400 -0.144 0.000 2.149 268 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 268 D C 1.912 178.107 176.300 -0.176 0.000 0.990 268 D CA 1.167 55.036 54.000 -0.219 0.000 0.839 268 D CB -0.236 40.285 40.800 -0.464 0.000 0.948 268 D HN 0.520 nan 8.370 nan 0.000 0.460 269 I N 0.681 121.134 120.570 -0.195 0.000 2.226 269 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 269 I C 2.472 178.579 176.117 -0.018 0.000 1.100 269 I CA 0.624 61.895 61.300 -0.048 0.000 1.374 269 I CB -0.093 37.826 38.000 -0.135 0.000 1.057 269 I HN 0.001 nan 8.210 nan 0.000 0.413 270 L N 0.419 121.610 121.223 -0.054 0.000 2.017 270 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 270 L C 2.642 179.510 176.870 -0.002 0.000 1.073 270 L CA 1.528 56.349 54.840 -0.031 0.000 0.745 270 L CB -0.531 41.510 42.059 -0.030 0.000 0.894 270 L HN 0.168 nan 8.230 nan 0.000 0.432 271 K N 0.097 120.497 120.400 -0.000 0.000 1.987 271 K HA -0.219 4.100 4.320 -0.000 0.000 0.216 271 K C 2.188 178.814 176.600 0.042 0.000 1.051 271 K CA 1.643 57.940 56.287 0.017 0.000 0.942 271 K CB -0.542 31.965 32.500 0.012 0.000 0.722 271 K HN 0.283 nan 8.250 nan 0.000 0.444 272 A N 1.844 124.717 122.820 0.088 0.000 1.948 272 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 272 A C 1.979 179.596 177.584 0.055 0.000 1.177 272 A CA 2.248 54.346 52.037 0.101 0.000 0.636 272 A CB -0.795 18.327 19.000 0.203 0.000 0.815 272 A HN 0.404 nan 8.150 nan 0.000 0.449 273 N N -0.343 118.383 118.700 0.043 0.000 2.142 273 N HA -0.035 4.705 4.740 -0.000 0.000 0.186 273 N C 1.507 177.023 175.510 0.009 0.000 1.023 273 N CA 1.597 54.656 53.050 0.016 0.000 0.852 273 N CB -0.277 38.209 38.487 -0.002 0.000 0.998 273 N HN 0.502 nan 8.380 nan 0.000 0.424 274 I N -0.046 120.531 120.570 0.012 0.000 2.353 274 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 274 I C 2.045 178.172 176.117 0.017 0.000 1.119 274 I CA 1.114 62.421 61.300 0.012 0.000 1.417 274 I CB -0.294 37.717 38.000 0.019 0.000 1.078 274 I HN 0.290 nan 8.210 nan 0.000 0.421 275 S N 0.819 116.530 115.700 0.019 0.000 2.447 275 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 275 S C 1.920 176.529 174.600 0.015 0.000 1.006 275 S CA 0.630 58.840 58.200 0.018 0.000 0.957 275 S CB -0.482 62.728 63.200 0.016 0.000 0.773 275 S HN 0.367 nan 8.310 nan 0.000 0.507 276 L N 1.907 123.138 121.223 0.012 0.000 2.131 276 L HA 0.177 4.516 4.340 -0.000 0.000 0.206 276 L C 2.246 179.123 176.870 0.012 0.000 1.087 276 L CA 1.689 56.533 54.840 0.006 0.000 0.767 276 L CB -0.790 41.270 42.059 0.001 0.000 0.917 276 L HN 0.291 nan 8.230 nan 0.000 0.441 277 E N -1.162 119.047 120.200 0.015 0.000 2.208 277 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 277 E C 0.639 177.268 176.600 0.049 0.000 0.988 277 E CA 1.192 57.605 56.400 0.022 0.000 0.828 277 E CB -0.131 29.571 29.700 0.004 0.000 0.763 277 E HN 0.429 nan 8.360 nan 0.000 0.478 278 T N 1.125 115.707 114.554 0.047 0.000 3.418 278 T HA 0.215 4.565 4.350 -0.000 0.000 0.239 278 T C 0.708 175.439 174.700 0.052 0.000 0.905 278 T CA 0.314 62.455 62.100 0.069 0.000 0.929 278 T CB -0.108 68.792 68.868 0.053 0.000 1.121 278 T HN 0.058 nan 8.240 nan 0.000 0.608 279 L N -0.738 120.514 121.223 0.048 0.000 3.664 279 L HA 0.334 4.673 4.340 -0.000 0.000 0.341 279 L C 1.289 178.179 176.870 0.034 0.000 1.247 279 L CA 0.099 54.957 54.840 0.030 0.000 1.133 279 L CB 0.676 42.744 42.059 0.015 0.000 1.498 279 L HN 0.159 nan 8.230 nan 0.000 0.628 280 E N -1.276 118.956 120.200 0.054 0.000 2.564 280 E HA -0.017 4.333 4.350 -0.000 0.000 0.203 280 E C 1.297 177.946 176.600 0.083 0.000 0.867 280 E CA 0.025 56.458 56.400 0.055 0.000 1.250 280 E CB 0.406 30.136 29.700 0.050 0.000 1.215 280 E HN 0.285 nan 8.360 nan 0.000 0.566 281 H N 2.343 121.416 119.070 0.004 0.000 2.422 281 H HA -0.068 4.488 4.556 -0.000 0.000 0.298 281 H C 1.118 176.449 175.328 0.005 0.000 1.098 281 H CA 1.983 58.033 56.048 0.004 0.000 1.315 281 H CB 0.136 29.901 29.762 0.005 0.000 1.382 281 H HN 0.132 nan 8.280 nan 0.000 0.523 282 N N -0.220 118.441 118.700 -0.064 0.000 2.351 282 N HA 0.170 4.910 4.740 -0.000 0.000 0.254 282 N C 0.460 175.942 175.510 -0.046 0.000 1.241 282 N CA 0.414 53.394 53.050 -0.117 0.000 0.883 282 N CB -0.201 38.238 38.487 -0.079 0.000 1.202 282 N HN 0.491 nan 8.380 nan 0.000 0.512 283 G N -0.087 108.702 108.800 -0.019 0.000 2.914 283 G HA2 0.333 4.293 3.960 -0.000 0.000 0.254 283 G HA3 0.333 4.293 3.960 -0.000 0.000 0.254 283 G C -0.370 174.535 174.900 0.009 0.000 1.449 283 G CA 0.273 45.373 45.100 -0.001 0.000 0.925 283 G HN 1.361 nan 8.290 nan 0.000 0.555 284 A N -1.067 121.765 122.820 0.019 0.000 2.555 284 A HA 0.690 5.010 4.320 -0.000 0.000 0.299 284 A C -2.720 174.894 177.584 0.049 0.000 0.962 284 A CA 0.186 52.239 52.037 0.027 0.000 0.646 284 A CB -0.261 18.751 19.000 0.021 0.000 1.327 284 A HN 1.271 nan 8.150 nan 0.000 0.428 285 P HA 0.212 nan 4.420 nan 0.000 0.270 285 P C 0.825 178.207 177.300 0.137 0.000 1.221 285 P CA 0.311 63.483 63.100 0.120 0.000 0.788 285 P CB 0.232 31.997 31.700 0.108 0.000 0.904 286 H N 0.374 119.473 119.070 0.048 0.000 2.363 286 H HA -0.138 4.418 4.556 -0.000 0.000 0.301 286 H C 1.616 176.993 175.328 0.082 0.000 1.074 286 H CA 1.893 57.972 56.048 0.052 0.000 1.354 286 H CB -0.985 28.807 29.762 0.049 0.000 1.397 286 H HN 0.524 nan 8.280 nan 0.000 0.516 287 H N 1.168 119.703 119.070 -0.891 0.000 2.491 287 H HA 0.168 4.723 4.556 -0.000 0.000 0.290 287 H C 2.220 177.405 175.328 -0.238 0.000 1.050 287 H CA 1.488 57.176 56.048 -0.598 0.000 1.309 287 H CB -0.119 29.317 29.762 -0.543 0.000 1.392 287 H HN 0.523 nan 8.280 nan 0.000 0.554 288 A N 0.138 122.893 122.820 -0.109 0.000 1.898 288 A HA -0.008 4.311 4.320 -0.000 0.000 0.214 288 A C 2.330 179.859 177.584 -0.092 0.000 1.183 288 A CA 1.095 53.081 52.037 -0.084 0.000 0.622 288 A CB -0.470 18.519 19.000 -0.019 0.000 0.824 288 A HN 0.443 nan 8.150 nan 0.000 0.444 289 I N -0.258 120.275 120.570 -0.063 0.000 2.756 289 I HA -0.190 3.980 4.170 -0.000 0.000 0.262 289 I C 2.165 178.236 176.117 -0.077 0.000 1.225 289 I CA 1.060 62.333 61.300 -0.045 0.000 1.472 289 I CB -0.240 37.755 38.000 -0.009 0.000 1.094 289 I HN 0.464 nan 8.210 nan 0.000 0.454 290 E N 0.309 120.427 120.200 -0.136 0.000 2.190 290 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 290 E C 1.822 178.306 176.600 -0.194 0.000 0.978 290 E CA 0.500 56.802 56.400 -0.163 0.000 0.839 290 E CB 0.168 29.740 29.700 -0.213 0.000 0.787 290 E HN 0.282 nan 8.360 nan 0.000 0.473 291 E N 0.781 120.834 120.200 -0.246 0.000 2.150 291 E HA -0.084 4.265 4.350 -0.000 0.000 0.193 291 E C 1.736 178.263 176.600 -0.122 0.000 0.985 291 E CA 1.016 57.291 56.400 -0.208 0.000 0.814 291 E CB -0.002 29.573 29.700 -0.209 0.000 0.752 291 E HN 0.240 nan 8.360 nan 0.000 0.466 292 A N 0.374 123.137 122.820 -0.094 0.000 1.930 292 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 292 A C 1.939 179.497 177.584 -0.043 0.000 1.176 292 A CA 1.165 53.170 52.037 -0.055 0.000 0.632 292 A CB -0.282 18.696 19.000 -0.036 0.000 0.819 292 A HN 0.181 nan 8.150 nan 0.000 0.445 293 E N 0.421 120.588 120.200 -0.055 0.000 2.047 293 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 293 E C 2.193 178.771 176.600 -0.037 0.000 0.987 293 E CA 1.501 57.873 56.400 -0.046 0.000 0.799 293 E CB -0.174 29.490 29.700 -0.060 0.000 0.752 293 E HN 0.751 nan 8.360 nan 0.000 0.449 294 S N 0.593 116.265 115.700 -0.047 0.000 2.555 294 S HA -0.073 4.396 4.470 -0.000 0.000 0.230 294 S C 1.817 176.415 174.600 -0.003 0.000 0.978 294 S CA 0.301 58.491 58.200 -0.017 0.000 0.934 294 S CB 0.021 63.201 63.200 -0.034 0.000 0.766 294 S HN 0.100 nan 8.310 nan 0.000 0.533 295 L N 0.684 121.885 121.223 -0.036 0.000 2.084 295 L HA 0.340 4.680 4.340 -0.000 0.000 0.202 295 L C 2.100 178.937 176.870 -0.054 0.000 1.074 295 L CA 1.131 55.928 54.840 -0.072 0.000 0.757 295 L CB -0.824 41.195 42.059 -0.067 0.000 0.918 295 L HN 0.333 nan 8.230 nan 0.000 0.444 296 L N -0.023 121.208 121.223 0.013 0.000 2.012 296 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 296 L C 2.559 179.477 176.870 0.078 0.000 1.073 296 L CA 2.289 57.171 54.840 0.069 0.000 0.748 296 L CB -0.987 41.099 42.059 0.044 0.000 0.891 296 L HN 0.575 nan 8.230 nan 0.000 0.431 297 Q N -0.963 118.872 119.800 0.058 0.000 2.135 297 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 297 Q C 2.090 178.156 176.000 0.110 0.000 0.981 297 Q CA 2.332 58.183 55.803 0.081 0.000 0.856 297 Q CB -0.767 28.013 28.738 0.069 0.000 0.902 297 Q HN 0.558 nan 8.270 nan 0.000 0.425 298 F N -0.385 119.539 119.950 -0.043 0.000 2.293 298 F HA -0.094 4.433 4.527 -0.000 0.000 0.300 298 F C 1.563 177.376 175.800 0.020 0.000 1.086 298 F CA 1.870 59.838 58.000 -0.053 0.000 1.375 298 F CB -0.052 38.848 39.000 -0.167 0.000 1.045 298 F HN 0.274 nan 8.300 nan 0.000 0.516 299 H N -1.964 117.149 119.070 0.071 0.000 2.344 299 H HA -0.025 4.530 4.556 -0.000 0.000 0.307 299 H C 2.288 177.640 175.328 0.040 0.000 1.057 299 H CA 1.104 57.168 56.048 0.026 0.000 1.373 299 H CB -0.247 29.565 29.762 0.084 0.000 1.421 299 H HN 0.010 nan 8.280 nan 0.000 0.532 300 V N 1.303 121.330 119.914 0.189 0.000 2.453 300 V HA -0.318 3.802 4.120 -0.000 0.000 0.252 300 V C 2.435 178.637 176.094 0.179 0.000 1.068 300 V CA 1.688 64.090 62.300 0.171 0.000 1.070 300 V CB -0.850 31.043 31.823 0.117 0.000 0.664 300 V HN 0.521 nan 8.190 nan 0.000 0.461 301 A N -0.134 122.744 122.820 0.097 0.000 1.826 301 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 301 A C 2.383 179.969 177.584 0.004 0.000 1.212 301 A CA 2.117 54.187 52.037 0.055 0.000 0.605 301 A CB -1.233 17.767 19.000 0.001 0.000 0.861 301 A HN 0.431 nan 8.150 nan 0.000 0.447 302 T N -0.857 113.611 114.554 -0.143 0.000 2.822 302 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 302 T C 1.680 176.397 174.700 0.029 0.000 1.064 302 T CA 1.797 63.809 62.100 -0.146 0.000 1.131 302 T CB -0.480 68.172 68.868 -0.360 0.000 0.858 302 T HN 0.548 nan 8.240 nan 0.000 0.483 303 Y N 1.565 121.851 120.300 -0.022 0.000 2.181 303 Y HA -0.078 4.472 4.550 -0.000 0.000 0.288 303 Y C 2.078 177.993 175.900 0.024 0.000 1.146 303 Y CA 1.217 59.322 58.100 0.009 0.000 1.164 303 Y CB -0.397 38.075 38.460 0.019 0.000 0.982 303 Y HN 0.189 nan 8.280 nan 0.000 0.515 304 M N -0.617 118.884 119.600 -0.164 0.000 2.357 304 M HA 0.051 4.531 4.480 -0.000 0.000 0.266 304 M C -0.666 175.605 176.300 -0.047 0.000 1.095 304 M CA 0.986 56.159 55.300 -0.211 0.000 1.156 304 M CB 0.286 32.852 32.600 -0.056 0.000 1.365 304 M HN -0.002 nan 8.290 nan 0.000 0.447 305 D N 0.682 121.087 120.400 0.009 0.000 2.736 305 D HA 0.202 4.842 4.640 -0.000 0.000 0.243 305 D C -1.182 175.114 176.300 -0.006 0.000 1.304 305 D CA -0.259 53.753 54.000 0.020 0.000 0.934 305 D CB 0.821 41.670 40.800 0.081 0.000 1.382 305 D HN -0.059 nan 8.370 nan 0.000 0.571 306 N N 2.110 120.805 118.700 -0.009 0.000 2.663 306 N HA 0.108 4.847 4.740 -0.000 0.000 0.250 306 N C -1.004 174.512 175.510 0.010 0.000 1.129 306 N CA 0.291 53.338 53.050 -0.005 0.000 0.995 306 N CB 0.277 38.770 38.487 0.011 0.000 1.324 306 N HN 0.357 nan 8.380 nan 0.000 0.512 307 D N 3.385 123.791 120.400 0.011 0.000 3.171 307 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 307 D C -0.445 175.879 176.300 0.041 0.000 1.432 307 D CA -0.038 53.979 54.000 0.029 0.000 0.892 307 D CB 0.061 40.874 40.800 0.021 0.000 1.499 307 D HN 0.308 nan 8.370 nan 0.000 0.597 308 I N -0.511 120.099 120.570 0.067 0.000 3.627 308 I HA 0.412 4.582 4.170 -0.000 0.000 0.303 308 I C 1.829 178.052 176.117 0.177 0.000 1.209 308 I CA -0.897 60.468 61.300 0.109 0.000 1.132 308 I CB 0.035 38.092 38.000 0.094 0.000 1.290 308 I HN -0.017 nan 8.210 nan 0.000 0.437 309 A N 0.236 123.210 122.820 0.258 0.000 1.948 309 A HA 0.120 4.439 4.320 -0.000 0.000 0.220 309 A C 1.101 178.828 177.584 0.239 0.000 1.177 309 A CA 2.349 54.523 52.037 0.227 0.000 0.636 309 A CB -0.974 18.149 19.000 0.206 0.000 0.815 309 A HN 0.887 nan 8.150 nan 0.000 0.449 310 G N -2.800 106.280 108.800 0.465 0.000 3.247 310 G HA2 0.580 4.539 3.960 -0.000 0.000 0.226 310 G HA3 0.580 4.539 3.960 -0.000 0.000 0.226 310 G C -0.810 174.317 174.900 0.380 0.000 1.220 310 G CA -0.297 45.043 45.100 0.400 0.000 0.875 310 G HN 0.375 nan 8.290 nan 0.000 0.606 325 I N 1.164 121.602 120.570 -0.220 0.000 2.163 325 I HA -0.066 4.104 4.170 -0.000 0.000 0.240 325 I C 2.943 179.004 176.117 -0.094 0.000 1.081 325 I CA 1.444 62.641 61.300 -0.171 0.000 1.353 325 I CB -0.456 37.399 38.000 -0.242 0.000 1.054 325 I HN 0.791 nan 8.210 nan 0.000 0.407 326 R N 1.751 122.201 120.500 -0.083 0.000 2.103 326 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 326 R C 2.296 178.553 176.300 -0.071 0.000 1.142 326 R CA 1.996 58.047 56.100 -0.081 0.000 0.960 326 R CB -0.345 29.915 30.300 -0.066 0.000 0.858 326 R HN 0.385 nan 8.270 nan 0.000 0.439 327 A N 1.400 124.185 122.820 -0.058 0.000 1.877 327 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 327 A C 2.229 179.789 177.584 -0.040 0.000 1.186 327 A CA 1.464 53.475 52.037 -0.042 0.000 0.620 327 A CB -0.550 18.432 19.000 -0.030 0.000 0.822 327 A HN 0.395 nan 8.150 nan 0.000 0.443 328 R N -0.736 119.737 120.500 -0.045 0.000 2.117 328 R HA -0.123 4.217 4.340 -0.000 0.000 0.243 328 R C 1.956 178.236 176.300 -0.032 0.000 1.143 328 R CA 1.487 57.565 56.100 -0.036 0.000 0.968 328 R CB -0.549 29.730 30.300 -0.035 0.000 0.863 328 R HN 0.525 nan 8.270 nan 0.000 0.444 329 L N 0.623 121.822 121.223 -0.040 0.000 2.291 329 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 329 L C 1.763 178.609 176.870 -0.039 0.000 1.120 329 L CA 0.990 55.806 54.840 -0.040 0.000 0.799 329 L CB -0.135 41.890 42.059 -0.056 0.000 0.925 329 L HN 0.113 nan 8.230 nan 0.000 0.446 330 K N -0.112 120.265 120.400 -0.040 0.000 2.585 330 K HA -0.072 4.248 4.320 -0.000 0.000 0.194 330 K C 1.284 177.869 176.600 -0.024 0.000 1.037 330 K CA 0.834 57.102 56.287 -0.032 0.000 0.964 330 K CB -0.062 32.420 32.500 -0.029 0.000 0.787 330 K HN 0.368 nan 8.250 nan 0.000 0.488 331 G N 0.057 108.843 108.800 -0.023 0.000 4.000 331 G HA2 0.075 4.035 3.960 -0.000 0.000 0.260 331 G HA3 0.075 4.035 3.960 -0.000 0.000 0.260 331 G C 0.555 175.444 174.900 -0.018 0.000 1.047 331 G CA -0.326 44.762 45.100 -0.019 0.000 0.860 331 G HN 0.059 nan 8.290 nan 0.000 0.464 332 K N -0.039 120.350 120.400 -0.020 0.000 2.521 332 K HA 0.173 4.493 4.320 -0.000 0.000 0.213 332 K C 1.476 178.066 176.600 -0.016 0.000 1.223 332 K CA 0.535 56.812 56.287 -0.015 0.000 1.013 332 K CB 0.921 33.413 32.500 -0.013 0.000 1.017 332 K HN 0.389 nan 8.250 nan 0.000 0.591 333 E N -0.627 119.560 120.200 -0.022 0.000 2.414 333 E HA 0.046 4.395 4.350 -0.000 0.000 0.208 333 E C 1.453 178.040 176.600 -0.020 0.000 0.820 333 E CA 0.312 56.697 56.400 -0.025 0.000 1.143 333 E CB 0.375 30.050 29.700 -0.041 0.000 1.150 333 E HN 0.096 nan 8.360 nan 0.000 0.540 334 G N 1.004 109.792 108.800 -0.021 0.000 2.939 334 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.210 334 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.210 334 G C 1.527 176.418 174.900 -0.016 0.000 1.160 334 G CA -0.097 44.992 45.100 -0.018 0.000 0.770 334 G HN 0.103 nan 8.290 nan 0.000 0.543 335 R N -0.669 119.822 120.500 -0.015 0.000 2.404 335 R HA 0.412 4.751 4.340 -0.000 0.000 0.237 335 R C 0.261 176.554 176.300 -0.013 0.000 0.907 335 R CA -0.109 55.983 56.100 -0.014 0.000 1.063 335 R CB 0.173 30.465 30.300 -0.014 0.000 1.134 335 R HN 0.237 nan 8.270 nan 0.000 0.529 346 D N 2.861 123.195 120.400 -0.110 0.000 2.283 346 D HA 0.546 5.185 4.640 -0.000 0.000 0.248 346 D C 0.540 176.719 176.300 -0.201 0.000 1.072 346 D CA -0.811 52.983 54.000 -0.344 0.000 0.929 346 D CB 1.050 41.418 40.800 -0.721 0.000 1.182 346 D HN 0.464 nan 8.370 nan 0.000 0.433 347 F N -0.979 119.031 119.950 0.100 0.000 3.058 347 F HA -0.246 4.281 4.527 -0.000 0.000 0.295 347 F C 0.136 176.013 175.800 0.129 0.000 0.875 347 F CA 0.511 58.582 58.000 0.118 0.000 1.150 347 F CB -1.963 37.111 39.000 0.124 0.000 1.175 347 F HN 0.583 nan 8.300 nan 0.000 0.599 348 S N -0.650 115.178 115.700 0.214 0.000 2.618 348 S HA 0.997 5.467 4.470 -0.000 0.000 0.277 348 S C -0.593 174.056 174.600 0.081 0.000 1.138 348 S CA -0.329 57.935 58.200 0.106 0.000 0.844 348 S CB 2.707 65.953 63.200 0.076 0.000 1.127 348 S HN 1.234 nan 8.310 nan 0.000 0.474 349 A N 0.764 123.625 122.820 0.070 0.000 2.594 349 A HA 0.902 5.221 4.320 -0.000 0.000 0.295 349 A C -0.953 176.759 177.584 0.213 0.000 1.071 349 A CA -0.864 51.263 52.037 0.149 0.000 0.685 349 A CB 1.754 20.897 19.000 0.238 0.000 1.285 349 A HN 1.019 nan 8.150 nan 0.000 0.405 350 R N 0.272 120.863 120.500 0.152 0.000 2.725 350 R HA 0.818 5.158 4.340 -0.000 0.000 0.277 350 R C -1.331 174.978 176.300 0.015 0.000 0.987 350 R CA 0.086 56.286 56.100 0.167 0.000 0.901 350 R CB 2.165 32.504 30.300 0.064 0.000 1.207 350 R HN 1.028 nan 8.270 nan 0.000 0.463 351 T N -0.319 114.240 114.554 0.008 0.000 2.686 351 T HA 0.172 4.522 4.350 -0.000 0.000 0.308 351 T C -0.844 173.844 174.700 -0.021 0.000 1.667 351 T CA -0.779 61.233 62.100 -0.146 0.000 0.987 351 T CB 0.736 69.326 68.868 -0.463 0.000 1.652 351 T HN 0.240 nan 8.240 nan 0.000 0.496 352 V N 1.756 121.645 119.914 -0.042 0.000 2.843 352 V HA 0.368 4.488 4.120 -0.000 0.000 0.305 352 V C 0.492 176.646 176.094 0.100 0.000 1.065 352 V CA -0.200 62.121 62.300 0.036 0.000 1.116 352 V CB 0.087 31.918 31.823 0.013 0.000 0.968 352 V HN 0.765 nan 8.190 nan 0.000 0.487 353 I N 1.277 121.973 120.570 0.210 0.000 2.648 353 I HA 0.852 5.021 4.170 -0.000 0.000 0.304 353 I C -0.165 176.121 176.117 0.282 0.000 1.009 353 I CA -0.221 61.265 61.300 0.310 0.000 1.114 353 I CB 2.175 40.444 38.000 0.448 0.000 1.293 353 I HN 0.482 nan 8.210 nan 0.000 0.449 354 S N 1.763 117.437 115.700 -0.043 0.000 2.546 354 S HA 0.703 5.173 4.470 -0.000 0.000 0.274 354 S C -0.105 173.833 174.600 -1.103 0.000 1.121 354 S CA -0.720 57.125 58.200 -0.591 0.000 0.887 354 S CB 1.783 64.813 63.200 -0.284 0.000 1.094 354 S HN 1.080 nan 8.310 nan 0.000 0.474 355 G N 0.437 108.128 108.800 -1.848 0.000 2.503 355 G HA2 0.501 4.461 3.960 -0.000 0.000 0.257 355 G HA3 0.501 4.461 3.960 -0.000 0.000 0.257 355 G C -1.166 173.503 174.900 -0.385 0.000 1.214 355 G CA -0.063 44.443 45.100 -0.990 0.000 0.839 355 G HN 0.568 nan 8.290 nan 0.000 0.559 356 D N 1.102 121.399 120.400 -0.172 0.000 2.479 356 D HA 0.248 4.888 4.640 -0.000 0.000 0.246 356 D C -1.680 174.601 176.300 -0.032 0.000 1.336 356 D CA -1.419 52.525 54.000 -0.094 0.000 0.967 356 D CB 2.501 43.259 40.800 -0.070 0.000 1.275 356 D HN 0.107 nan 8.370 nan 0.000 0.577 357 P HA -0.041 nan 4.420 nan 0.000 0.228 357 P C 0.486 177.790 177.300 0.006 0.000 1.151 357 P CA 0.498 63.591 63.100 -0.012 0.000 0.770 357 P CB 0.610 32.286 31.700 -0.039 0.000 0.786 358 N N -0.646 118.066 118.700 0.021 0.000 2.236 358 N HA 0.143 4.883 4.740 -0.000 0.000 0.196 358 N C 0.654 176.199 175.510 0.059 0.000 1.114 358 N CA 0.078 53.166 53.050 0.063 0.000 0.859 358 N CB 0.564 39.109 38.487 0.096 0.000 0.982 358 N HN 0.267 nan 8.380 nan 0.000 0.493 359 L N 1.176 122.421 121.223 0.037 0.000 2.379 359 L HA 0.241 4.581 4.340 -0.000 0.000 0.269 359 L C 0.599 177.496 176.870 0.045 0.000 1.084 359 L CA -0.680 54.180 54.840 0.033 0.000 0.802 359 L CB 0.937 43.004 42.059 0.014 0.000 1.175 359 L HN -0.138 nan 8.230 nan 0.000 0.448 360 E N 1.193 121.418 120.200 0.041 0.000 2.343 360 E HA 0.035 4.385 4.350 -0.000 0.000 0.269 360 E C 0.720 177.338 176.600 0.028 0.000 1.047 360 E CA -0.452 55.974 56.400 0.043 0.000 0.874 360 E CB 1.210 30.931 29.700 0.034 0.000 1.033 360 E HN 0.413 nan 8.360 nan 0.000 0.409 361 L N 2.629 123.855 121.223 0.005 0.000 2.054 361 L HA -0.270 4.069 4.340 -0.000 0.000 0.220 361 L C 1.273 178.112 176.870 -0.052 0.000 1.081 361 L CA 2.476 57.271 54.840 -0.075 0.000 0.780 361 L CB -0.405 41.519 42.059 -0.226 0.000 0.893 361 L HN 0.581 nan 8.230 nan 0.000 0.438 362 D N -1.822 118.541 120.400 -0.062 0.000 2.325 362 D HA -0.002 4.638 4.640 -0.000 0.000 0.225 362 D C 0.504 176.823 176.300 0.031 0.000 1.096 362 D CA -0.066 53.867 54.000 -0.111 0.000 0.844 362 D CB -0.189 40.521 40.800 -0.150 0.000 0.925 362 D HN 0.525 nan 8.370 nan 0.000 0.513 363 Q N -0.189 119.674 119.800 0.105 0.000 2.193 363 Q HA 0.554 4.893 4.340 -0.000 0.000 0.246 363 Q C -1.070 174.974 176.000 0.073 0.000 0.959 363 Q CA -1.001 54.853 55.803 0.086 0.000 0.904 363 Q CB 3.077 31.829 28.738 0.022 0.000 1.238 363 Q HN 0.035 nan 8.270 nan 0.000 0.469 364 V N 0.314 120.166 119.914 -0.104 0.000 2.569 364 V HA 0.594 4.713 4.120 -0.000 0.000 0.301 364 V C -0.667 175.275 176.094 -0.253 0.000 1.044 364 V CA -0.401 61.676 62.300 -0.371 0.000 0.874 364 V CB 1.592 32.922 31.823 -0.823 0.000 1.002 364 V HN 0.820 nan 8.190 nan 0.000 0.424 365 G N 5.644 114.335 108.800 -0.182 0.000 2.354 365 G HA2 0.483 4.443 3.960 -0.000 0.000 0.266 365 G HA3 0.483 4.443 3.960 -0.000 0.000 0.266 365 G C -0.599 174.300 174.900 -0.001 0.000 1.242 365 G CA -0.137 44.918 45.100 -0.074 0.000 0.923 365 G HN 0.909 nan 8.290 nan 0.000 0.476 366 V N 6.472 126.391 119.914 0.009 0.000 2.334 366 V HA 0.281 4.401 4.120 -0.000 0.000 0.281 366 V C -1.756 174.351 176.094 0.022 0.000 1.016 366 V CA -1.759 60.615 62.300 0.123 0.000 0.832 366 V CB 1.717 33.578 31.823 0.063 0.000 0.999 366 V HN 0.683 nan 8.190 nan 0.000 0.439 367 P HA -0.031 nan 4.420 nan 0.000 0.264 367 P C 0.669 177.893 177.300 -0.128 0.000 1.183 367 P CA 0.174 63.217 63.100 -0.094 0.000 0.763 367 P CB 1.099 32.717 31.700 -0.137 0.000 0.807 368 K N 3.196 123.485 120.400 -0.185 0.000 2.089 368 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 368 K C 2.007 178.486 176.600 -0.202 0.000 1.048 368 K CA 2.389 58.519 56.287 -0.262 0.000 0.926 368 K CB -0.360 31.985 32.500 -0.258 0.000 0.714 368 K HN 0.553 nan 8.250 nan 0.000 0.448 369 S N 0.092 115.703 115.700 -0.148 0.000 2.423 369 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 369 S C 1.904 176.450 174.600 -0.090 0.000 1.014 369 S CA 1.064 59.196 58.200 -0.113 0.000 0.965 369 S CB -0.317 62.825 63.200 -0.095 0.000 0.785 369 S HN 0.370 nan 8.310 nan 0.000 0.495 370 I N 1.449 121.972 120.570 -0.079 0.000 2.716 370 I HA 0.106 4.276 4.170 -0.000 0.000 0.259 370 I C 2.781 178.905 176.117 0.011 0.000 1.172 370 I CA 0.692 61.979 61.300 -0.022 0.000 1.478 370 I CB -0.336 37.660 38.000 -0.005 0.000 1.104 370 I HN 0.410 nan 8.210 nan 0.000 0.439 371 A N 0.701 123.499 122.820 -0.037 0.000 2.119 371 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 371 A C 2.105 179.660 177.584 -0.048 0.000 1.153 371 A CA 1.162 53.195 52.037 -0.007 0.000 0.692 371 A CB -0.283 18.657 19.000 -0.100 0.000 0.799 371 A HN 0.313 nan 8.150 nan 0.000 0.458 372 K N -0.787 119.494 120.400 -0.199 0.000 2.400 372 K HA 0.033 4.353 4.320 -0.000 0.000 0.194 372 K C 1.211 177.770 176.600 -0.068 0.000 1.033 372 K CA 1.153 57.132 56.287 -0.515 0.000 1.021 372 K CB 0.168 32.413 32.500 -0.424 0.000 0.808 372 K HN 0.471 nan 8.250 nan 0.000 0.505 373 T N 0.692 115.268 114.554 0.037 0.000 3.039 373 T HA 0.151 4.500 4.350 -0.000 0.000 0.250 373 T C 0.665 175.485 174.700 0.199 0.000 1.052 373 T CA 0.226 62.396 62.100 0.116 0.000 1.125 373 T CB 0.189 69.104 68.868 0.077 0.000 0.908 373 T HN -0.007 nan 8.240 nan 0.000 0.473 374 L N 3.371 124.719 121.223 0.208 0.000 2.265 374 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 374 L C 0.586 177.626 176.870 0.283 0.000 1.058 374 L CA -0.690 54.310 54.840 0.268 0.000 0.809 374 L CB 0.878 43.074 42.059 0.227 0.000 1.179 374 L HN 0.203 nan 8.230 nan 0.000 0.429 375 T N -0.539 114.191 114.554 0.294 0.000 2.949 375 T HA 0.539 4.888 4.350 -0.000 0.000 0.287 375 T C -1.024 173.736 174.700 0.099 0.000 1.034 375 T CA -0.703 61.527 62.100 0.217 0.000 1.018 375 T CB 1.973 70.970 68.868 0.214 0.000 1.135 375 T HN 0.373 nan 8.240 nan 0.000 0.532 376 Y N 2.184 122.465 120.300 -0.031 0.000 2.322 376 Y HA 0.469 5.019 4.550 -0.000 0.000 0.324 376 Y C -2.826 173.036 175.900 -0.062 0.000 1.027 376 Y CA -2.703 55.339 58.100 -0.097 0.000 1.179 376 Y CB 2.067 40.498 38.460 -0.048 0.000 1.136 376 Y HN 0.528 nan 8.280 nan 0.000 0.449 377 P HA 0.056 nan 4.420 nan 0.000 0.270 377 P C -0.954 175.916 177.300 -0.715 0.000 1.242 377 P CA 0.357 63.115 63.100 -0.571 0.000 0.768 377 P CB 1.027 32.475 31.700 -0.419 0.000 0.820 378 E N 3.510 123.540 120.200 -0.283 0.000 2.220 378 E HA 0.278 4.627 4.350 -0.000 0.000 0.256 378 E C -0.815 175.792 176.600 0.012 0.000 0.881 378 E CA -0.957 55.402 56.400 -0.068 0.000 0.766 378 E CB 1.358 31.139 29.700 0.135 0.000 1.187 378 E HN 0.084 nan 8.360 nan 0.000 0.419 379 V N 4.351 124.281 119.914 0.026 0.000 2.617 379 V HA -0.043 4.077 4.120 -0.000 0.000 0.304 379 V C 0.305 176.450 176.094 0.084 0.000 1.040 379 V CA -0.068 62.270 62.300 0.063 0.000 1.149 379 V CB 1.086 32.942 31.823 0.056 0.000 0.914 379 V HN 0.535 nan 8.190 nan 0.000 0.487 380 V N 5.644 125.630 119.914 0.120 0.000 2.450 380 V HA 0.187 4.307 4.120 -0.000 0.000 0.281 380 V C 0.568 176.705 176.094 0.072 0.000 1.019 380 V CA 0.625 62.997 62.300 0.121 0.000 1.062 380 V CB 0.487 32.401 31.823 0.152 0.000 0.979 380 V HN 1.030 nan 8.190 nan 0.000 0.477 381 T N 7.490 122.036 114.554 -0.014 0.000 2.903 381 T HA 0.431 4.781 4.350 -0.000 0.000 0.299 381 T C -1.799 172.677 174.700 -0.373 0.000 1.093 381 T CA -1.098 60.831 62.100 -0.285 0.000 1.002 381 T CB 2.371 71.130 68.868 -0.181 0.000 1.127 381 T HN 0.413 nan 8.240 nan 0.000 0.488 382 P HA -0.095 nan 4.420 nan 0.000 0.220 382 P C 0.789 177.937 177.300 -0.253 0.000 1.148 382 P CA 1.344 64.152 63.100 -0.487 0.000 0.803 382 P CB -0.052 31.244 31.700 -0.674 0.000 0.782 383 Y N 1.184 121.429 120.300 -0.093 0.000 2.571 383 Y HA -0.035 4.515 4.550 -0.000 0.000 0.294 383 Y C 1.775 177.668 175.900 -0.012 0.000 1.141 383 Y CA 0.616 58.691 58.100 -0.042 0.000 1.308 383 Y CB -0.666 37.769 38.460 -0.041 0.000 1.002 383 Y HN 0.182 nan 8.280 nan 0.000 0.551 384 N N -1.888 116.867 118.700 0.091 0.000 2.142 384 N HA -0.020 4.720 4.740 -0.000 0.000 0.233 384 N C 0.848 176.397 175.510 0.065 0.000 1.335 384 N CA -0.001 53.099 53.050 0.084 0.000 0.837 384 N CB -0.743 37.802 38.487 0.098 0.000 1.238 384 N HN 0.157 nan 8.380 nan 0.000 0.501 385 I N 1.748 122.358 120.570 0.068 0.000 2.335 385 I HA -0.209 3.960 4.170 -0.000 0.000 0.251 385 I C 0.900 177.041 176.117 0.041 0.000 1.129 385 I CA 1.465 62.812 61.300 0.079 0.000 1.402 385 I CB -0.315 37.773 38.000 0.146 0.000 1.069 385 I HN 0.118 nan 8.210 nan 0.000 0.424 386 D N -0.339 120.084 120.400 0.038 0.000 2.110 386 D HA -0.157 4.483 4.640 -0.000 0.000 0.202 386 D C 2.173 178.485 176.300 0.021 0.000 0.975 386 D CA 0.765 54.778 54.000 0.023 0.000 0.839 386 D CB -0.268 40.546 40.800 0.023 0.000 0.996 386 D HN 0.271 nan 8.370 nan 0.000 0.464 387 R N 0.806 121.323 120.500 0.028 0.000 2.094 387 R HA -0.142 4.197 4.340 -0.000 0.000 0.239 387 R C 2.529 178.840 176.300 0.018 0.000 1.137 387 R CA 1.139 57.253 56.100 0.023 0.000 0.943 387 R CB -0.404 29.916 30.300 0.033 0.000 0.850 387 R HN 0.138 nan 8.270 nan 0.000 0.433 388 L N -0.441 120.800 121.223 0.030 0.000 1.994 388 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 388 L C 2.570 179.451 176.870 0.017 0.000 1.071 388 L CA 1.836 56.693 54.840 0.029 0.000 0.745 388 L CB -0.741 41.349 42.059 0.051 0.000 0.892 388 L HN 0.325 nan 8.230 nan 0.000 0.431 389 T N -0.935 113.629 114.554 0.016 0.000 2.653 389 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 389 T C 1.820 176.520 174.700 -0.000 0.000 1.035 389 T CA 2.026 64.130 62.100 0.006 0.000 1.154 389 T CB -0.173 68.691 68.868 -0.006 0.000 0.862 389 T HN 0.235 nan 8.240 nan 0.000 0.441 390 Q N 0.633 120.432 119.800 -0.002 0.000 2.096 390 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 390 Q C 2.105 178.095 176.000 -0.017 0.000 0.982 390 Q CA 1.577 57.376 55.803 -0.007 0.000 0.850 390 Q CB -0.650 28.086 28.738 -0.004 0.000 0.901 390 Q HN 0.578 nan 8.270 nan 0.000 0.422 391 L N -1.048 120.161 121.223 -0.024 0.000 1.994 391 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 391 L C 2.337 179.172 176.870 -0.059 0.000 1.071 391 L CA 1.083 55.892 54.840 -0.051 0.000 0.745 391 L CB -0.785 41.237 42.059 -0.062 0.000 0.892 391 L HN 0.080 nan 8.230 nan 0.000 0.431 392 V N 0.023 119.915 119.914 -0.037 0.000 2.380 392 V HA -0.316 3.803 4.120 -0.000 0.000 0.251 392 V C 2.691 178.766 176.094 -0.031 0.000 1.063 392 V CA 1.821 64.102 62.300 -0.033 0.000 1.055 392 V CB -0.703 31.124 31.823 0.007 0.000 0.657 392 V HN 0.414 nan 8.190 nan 0.000 0.455 393 R N 0.027 120.515 120.500 -0.020 0.000 2.075 393 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 393 R C 2.240 178.528 176.300 -0.020 0.000 1.126 393 R CA 1.495 57.585 56.100 -0.016 0.000 0.963 393 R CB -0.448 29.847 30.300 -0.010 0.000 0.858 393 R HN 0.579 nan 8.270 nan 0.000 0.435 394 N N 0.132 118.818 118.700 -0.023 0.000 2.166 394 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 394 N C 1.137 176.638 175.510 -0.016 0.000 1.019 394 N CA 1.376 54.418 53.050 -0.013 0.000 0.856 394 N CB -0.138 38.343 38.487 -0.010 0.000 0.993 394 N HN 0.334 nan 8.380 nan 0.000 0.426 395 G N 0.617 109.389 108.800 -0.047 0.000 2.782 395 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.228 395 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.228 395 G C -2.030 172.845 174.900 -0.041 0.000 1.372 395 G CA -0.070 44.990 45.100 -0.067 0.000 0.862 395 G HN 0.111 nan 8.290 nan 0.000 0.547 396 P HA -0.024 nan 4.420 nan 0.000 0.234 396 P C 0.891 178.273 177.300 0.137 0.000 1.167 396 P CA 1.353 64.487 63.100 0.056 0.000 0.763 396 P CB -0.116 31.532 31.700 -0.087 0.000 0.835 397 N N -0.881 117.862 118.700 0.072 0.000 2.368 397 N HA 0.055 4.794 4.740 -0.000 0.000 0.178 397 N C 0.611 176.159 175.510 0.064 0.000 1.076 397 N CA -0.103 52.974 53.050 0.045 0.000 0.889 397 N CB 0.405 38.894 38.487 0.004 0.000 1.040 397 N HN 0.208 nan 8.380 nan 0.000 0.463 398 E N -0.486 119.773 120.200 0.099 0.000 2.250 398 E HA 0.090 4.439 4.350 -0.000 0.000 0.265 398 E C 0.057 176.758 176.600 0.169 0.000 1.033 398 E CA -0.493 55.963 56.400 0.094 0.000 0.888 398 E CB 1.407 31.142 29.700 0.058 0.000 1.151 398 E HN 0.159 nan 8.360 nan 0.000 0.412 399 H N 2.230 121.331 119.070 0.051 0.000 2.879 399 H HA 0.033 4.589 4.556 -0.000 0.000 0.308 399 H C -1.704 173.757 175.328 0.221 0.000 1.017 399 H CA 0.638 56.724 56.048 0.064 0.000 1.176 399 H CB -1.066 28.697 29.762 0.001 0.000 1.562 399 H HN 0.282 nan 8.280 nan 0.000 0.765 400 P HA 0.060 nan 4.420 nan 0.000 0.212 400 P C -0.574 176.643 177.300 -0.138 0.000 1.069 400 P CA 1.220 64.078 63.100 -0.404 0.000 1.331 400 P CB -0.356 31.229 31.700 -0.191 0.000 1.513 401 G N 1.093 109.846 108.800 -0.078 0.000 3.058 401 G HA2 0.836 4.796 3.960 -0.000 0.000 0.282 401 G HA3 0.836 4.796 3.960 -0.000 0.000 0.282 401 G C -1.723 172.842 174.900 -0.558 0.000 1.248 401 G CA -0.308 44.665 45.100 -0.212 0.000 0.822 401 G HN 0.426 nan 8.290 nan 0.000 0.579 402 A N -1.351 121.126 122.820 -0.573 0.000 2.606 402 A HA 0.745 5.065 4.320 -0.000 0.000 0.293 402 A C -0.025 177.355 177.584 -0.340 0.000 1.082 402 A CA -0.382 51.381 52.037 -0.456 0.000 0.685 402 A CB 1.560 20.448 19.000 -0.188 0.000 1.284 402 A HN 0.512 nan 8.150 nan 0.000 0.408 403 K N -0.804 119.473 120.400 -0.204 0.000 2.335 403 K HA 0.281 4.600 4.320 -0.000 0.000 0.195 403 K C -1.002 175.310 176.600 -0.481 0.000 1.058 403 K CA 0.987 57.105 56.287 -0.281 0.000 0.988 403 K CB 0.330 32.761 32.500 -0.115 0.000 0.880 403 K HN 0.618 nan 8.250 nan 0.000 0.513 404 Y N -0.935 119.337 120.300 -0.046 0.000 2.571 404 Y HA 0.369 4.919 4.550 -0.000 0.000 0.341 404 Y C -0.869 175.011 175.900 -0.034 0.000 1.076 404 Y CA -1.299 56.780 58.100 -0.035 0.000 1.029 404 Y CB 1.820 40.267 38.460 -0.022 0.000 1.308 404 Y HN -0.437 nan 8.280 nan 0.000 0.461 405 V N 3.909 123.905 119.914 0.136 0.000 2.483 405 V HA 0.496 4.616 4.120 -0.000 0.000 0.297 405 V C -0.632 175.437 176.094 -0.041 0.000 1.027 405 V CA -0.741 61.601 62.300 0.070 0.000 0.855 405 V CB 1.554 33.436 31.823 0.098 0.000 0.995 405 V HN 0.543 nan 8.190 nan 0.000 0.424 406 I N 5.169 125.686 120.570 -0.090 0.000 2.362 406 I HA 0.555 4.725 4.170 -0.000 0.000 0.289 406 I C 0.257 176.112 176.117 -0.436 0.000 0.994 406 I CA -0.549 60.624 61.300 -0.212 0.000 1.158 406 I CB 1.586 39.510 38.000 -0.127 0.000 1.315 406 I HN 0.549 nan 8.210 nan 0.000 0.451 407 R N 3.380 123.432 120.500 -0.747 0.000 2.553 407 R HA 0.283 4.623 4.340 -0.000 0.000 0.263 407 R C 0.578 176.565 176.300 -0.522 0.000 1.066 407 R CA -0.731 54.596 56.100 -1.289 0.000 1.135 407 R CB 0.529 29.960 30.300 -1.448 0.000 1.148 407 R HN 0.472 nan 8.270 nan 0.000 0.558 408 D N 0.777 121.014 120.400 -0.273 0.000 2.723 408 D HA -0.327 4.313 4.640 -0.000 0.000 0.208 408 D C 1.740 178.007 176.300 -0.056 0.000 1.050 408 D CA 2.622 56.621 54.000 -0.000 0.000 0.893 408 D CB -0.930 39.938 40.800 0.113 0.000 1.062 408 D HN 0.634 nan 8.370 nan 0.000 0.478 409 S N -0.675 114.984 115.700 -0.068 0.000 2.461 409 S HA -0.075 4.394 4.470 -0.000 0.000 0.246 409 S C 1.765 176.319 174.600 -0.076 0.000 1.007 409 S CA 1.734 59.899 58.200 -0.059 0.000 0.976 409 S CB -0.455 62.709 63.200 -0.060 0.000 0.763 409 S HN 0.761 nan 8.310 nan 0.000 0.508 410 G N 0.337 109.067 108.800 -0.116 0.000 2.134 410 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 410 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.209 410 G C -0.465 174.361 174.900 -0.122 0.000 0.993 410 G CA -0.051 44.986 45.100 -0.106 0.000 0.669 410 G HN 0.525 nan 8.290 nan 0.000 0.519 411 D N 0.381 120.684 120.400 -0.161 0.000 2.390 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.249 411 D C 0.753 176.963 176.300 -0.149 0.000 1.144 411 D CA 0.151 54.063 54.000 -0.146 0.000 0.880 411 D CB 0.611 41.311 40.800 -0.167 0.000 1.182 411 D HN 0.235 nan 8.370 nan 0.000 0.451 412 R N 3.154 123.601 120.500 -0.088 0.000 2.233 412 R HA 0.342 4.682 4.340 -0.000 0.000 0.334 412 R C -0.235 176.098 176.300 0.055 0.000 1.037 412 R CA -0.504 55.572 56.100 -0.042 0.000 0.920 412 R CB 0.487 30.738 30.300 -0.082 0.000 1.137 412 R HN 0.364 nan 8.270 nan 0.000 0.492 413 I N 2.656 123.262 120.570 0.060 0.000 2.301 413 I HA 0.038 4.208 4.170 -0.000 0.000 0.292 413 I C 0.249 176.456 176.117 0.150 0.000 1.046 413 I CA -0.316 61.027 61.300 0.071 0.000 1.282 413 I CB 0.893 38.893 38.000 0.000 0.000 1.409 413 I HN 0.354 nan 8.210 nan 0.000 0.484 414 D N 7.214 127.694 120.400 0.133 0.000 2.336 414 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 414 D C 1.017 177.218 176.300 -0.165 0.000 1.213 414 D CA -0.014 53.960 54.000 -0.044 0.000 0.870 414 D CB 1.180 42.032 40.800 0.087 0.000 1.076 414 D HN 0.475 nan 8.370 nan 0.000 0.483 415 L N 4.057 125.104 121.223 -0.295 0.000 2.275 415 L HA -0.140 4.199 4.340 -0.000 0.000 0.215 415 L C 2.419 179.133 176.870 -0.260 0.000 1.119 415 L CA 0.693 55.401 54.840 -0.220 0.000 0.790 415 L CB -0.271 41.662 42.059 -0.211 0.000 0.919 415 L HN 0.427 nan 8.230 nan 0.000 0.443 416 R N -0.121 120.121 120.500 -0.429 0.000 2.161 416 R HA -0.070 4.270 4.340 -0.000 0.000 0.213 416 R C -0.212 175.731 176.300 -0.595 0.000 1.055 416 R CA 0.626 56.377 56.100 -0.582 0.000 0.996 416 R CB -0.186 29.599 30.300 -0.859 0.000 0.901 416 R HN 0.216 nan 8.270 nan 0.000 0.456 417 Y N 0.438 120.707 120.300 -0.052 0.000 2.349 417 Y HA 0.488 5.038 4.550 -0.000 0.000 0.324 417 Y C -0.590 175.298 175.900 -0.019 0.000 1.005 417 Y CA -1.022 57.063 58.100 -0.025 0.000 1.240 417 Y CB 2.230 40.682 38.460 -0.012 0.000 1.117 417 Y HN 0.007 nan 8.280 nan 0.000 0.463 418 S N 2.949 118.708 115.700 0.099 0.000 2.354 418 S HA 0.072 4.541 4.470 -0.000 0.000 0.306 418 S C 0.189 174.813 174.600 0.039 0.000 0.900 418 S CA -1.045 57.192 58.200 0.062 0.000 0.921 418 S CB 0.349 63.571 63.200 0.036 0.000 1.209 418 S HN 0.816 nan 8.310 nan 0.000 0.433 419 K N 3.259 123.683 120.400 0.040 0.000 2.588 419 K HA -0.057 4.263 4.320 -0.000 0.000 0.196 419 K C 0.862 177.476 176.600 0.024 0.000 1.044 419 K CA 1.022 57.327 56.287 0.030 0.000 0.934 419 K CB -0.190 32.326 32.500 0.027 0.000 0.773 419 K HN 0.534 nan 8.250 nan 0.000 0.489 420 R N -0.597 119.918 120.500 0.025 0.000 2.535 420 R HA 0.232 4.572 4.340 -0.000 0.000 0.323 420 R C 1.611 177.924 176.300 0.022 0.000 0.979 420 R CA 0.376 56.491 56.100 0.026 0.000 1.120 420 R CB 0.616 30.937 30.300 0.035 0.000 1.306 420 R HN 0.215 nan 8.270 nan 0.000 0.540 421 A N 0.887 123.713 122.820 0.010 0.000 1.997 421 A HA -0.166 4.153 4.320 -0.000 0.000 0.221 421 A C 1.957 179.541 177.584 -0.001 0.000 1.172 421 A CA 2.127 54.161 52.037 -0.005 0.000 0.645 421 A CB -0.550 18.434 19.000 -0.026 0.000 0.813 421 A HN 0.424 nan 8.150 nan 0.000 0.454 422 G N -1.787 107.015 108.800 0.004 0.000 3.088 422 G HA2 0.253 4.213 3.960 -0.000 0.000 0.217 422 G HA3 0.253 4.213 3.960 -0.000 0.000 0.217 422 G C 0.163 175.069 174.900 0.010 0.000 1.159 422 G CA 0.853 45.955 45.100 0.004 0.000 0.760 422 G HN 0.490 nan 8.290 nan 0.000 0.550 423 D N 0.724 121.135 120.400 0.019 0.000 2.795 423 D HA 0.306 4.945 4.640 -0.000 0.000 0.335 423 D C -0.268 176.056 176.300 0.041 0.000 1.262 423 D CA -0.483 53.531 54.000 0.023 0.000 0.885 423 D CB -0.328 40.484 40.800 0.021 0.000 1.047 423 D HN 0.076 nan 8.370 nan 0.000 0.500 424 I N 1.209 121.807 120.570 0.048 0.000 2.436 424 I HA 0.295 4.464 4.170 -0.000 0.000 0.289 424 I C -0.260 175.889 176.117 0.052 0.000 1.010 424 I CA -0.828 60.527 61.300 0.091 0.000 1.098 424 I CB 2.173 40.251 38.000 0.130 0.000 1.266 424 I HN -0.024 nan 8.210 nan 0.000 0.434 425 Q N 6.577 126.393 119.800 0.027 0.000 2.509 425 Q HA 0.465 4.804 4.340 -0.000 0.000 0.236 425 Q C -0.779 175.048 176.000 -0.289 0.000 1.073 425 Q CA -0.530 55.212 55.803 -0.102 0.000 0.867 425 Q CB 1.431 30.096 28.738 -0.121 0.000 1.181 425 Q HN 0.541 nan 8.270 nan 0.000 0.526 426 L N 2.129 123.214 121.223 -0.230 0.000 2.543 426 L HA -0.062 4.278 4.340 -0.000 0.000 0.285 426 L C 0.486 176.918 176.870 -0.730 0.000 1.236 426 L CA 0.734 55.341 54.840 -0.388 0.000 0.871 426 L CB 0.046 42.049 42.059 -0.093 0.000 1.121 426 L HN 0.450 nan 8.230 nan 0.000 0.501 427 Q N 2.375 121.425 119.800 -1.251 0.000 2.375 427 Q HA 0.352 4.692 4.340 -0.000 0.000 0.271 427 Q C -1.147 174.517 176.000 -0.561 0.000 1.074 427 Q CA -0.849 54.325 55.803 -1.048 0.000 0.808 427 Q CB 2.251 30.206 28.738 -1.304 0.000 1.327 427 Q HN 0.413 nan 8.270 nan 0.000 0.441 428 Y N 0.107 120.211 120.300 -0.326 0.000 2.895 428 Y HA -0.032 4.518 4.550 -0.000 0.000 0.334 428 Y C 1.590 177.442 175.900 -0.080 0.000 1.261 428 Y CA 0.950 58.950 58.100 -0.166 0.000 1.560 428 Y CB 0.282 38.660 38.460 -0.136 0.000 1.253 428 Y HN 1.063 nan 8.280 nan 0.000 0.582 429 G N 1.407 110.318 108.800 0.184 0.000 2.284 429 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 429 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 429 G C -0.160 174.932 174.900 0.320 0.000 1.009 429 G CA -0.438 44.786 45.100 0.206 0.000 0.625 429 G HN 0.563 nan 8.290 nan 0.000 0.501 430 W N 1.562 122.887 121.300 0.042 0.000 2.049 430 W HA 0.690 5.350 4.660 -0.000 0.000 0.356 430 W C 0.822 177.348 176.519 0.013 0.000 1.323 430 W CA -0.255 57.103 57.345 0.021 0.000 1.336 430 W CB 0.275 29.747 29.460 0.019 0.000 1.176 430 W HN 0.118 nan 8.180 nan 0.000 0.623 431 K N 0.478 121.003 120.400 0.209 0.000 2.371 431 K HA 0.615 4.935 4.320 -0.000 0.000 0.251 431 K C -1.447 175.205 176.600 0.087 0.000 0.934 431 K CA -1.003 55.339 56.287 0.092 0.000 0.798 431 K CB 2.423 34.924 32.500 0.003 0.000 1.204 431 K HN 0.022 nan 8.250 nan 0.000 0.427 432 V N 2.290 122.241 119.914 0.060 0.000 2.444 432 V HA 0.171 4.291 4.120 -0.000 0.000 0.294 432 V C -0.490 175.610 176.094 0.009 0.000 1.022 432 V CA -0.767 61.567 62.300 0.057 0.000 0.850 432 V CB 1.434 33.298 31.823 0.067 0.000 0.992 432 V HN 0.730 nan 8.190 nan 0.000 0.426 433 E N 5.126 125.343 120.200 0.028 0.000 1.865 433 E HA 0.237 4.587 4.350 -0.000 0.000 0.269 433 E C 0.251 176.859 176.600 0.013 0.000 1.177 433 E CA -0.317 56.096 56.400 0.022 0.000 0.932 433 E CB 0.457 30.226 29.700 0.114 0.000 1.066 433 E HN 0.650 nan 8.360 nan 0.000 0.405 434 R N 1.705 122.209 120.500 0.006 0.000 2.553 434 R HA 0.380 4.720 4.340 -0.000 0.000 0.263 434 R C -0.338 175.995 176.300 0.055 0.000 1.066 434 R CA -0.650 55.428 56.100 -0.038 0.000 1.135 434 R CB 0.659 30.964 30.300 0.008 0.000 1.148 434 R HN 0.384 nan 8.270 nan 0.000 0.558 435 H N 0.176 119.285 119.070 0.065 0.000 2.690 435 H HA 0.162 4.717 4.556 -0.000 0.000 0.365 435 H C 0.338 175.742 175.328 0.126 0.000 1.142 435 H CA -0.607 55.504 56.048 0.104 0.000 1.417 435 H CB 0.745 30.560 29.762 0.089 0.000 1.446 435 H HN 0.510 nan 8.280 nan 0.000 0.599 436 I N 0.419 121.165 120.570 0.293 0.000 2.556 436 I HA 0.148 4.318 4.170 -0.000 0.000 0.284 436 I C -0.255 175.997 176.117 0.225 0.000 1.114 436 I CA 0.171 61.589 61.300 0.197 0.000 1.418 436 I CB 0.415 38.502 38.000 0.144 0.000 1.394 436 I HN 0.380 nan 8.210 nan 0.000 0.552 437 M N 3.291 122.979 119.600 0.147 0.000 2.872 437 M HA 0.406 4.886 4.480 -0.000 0.000 0.290 437 M C -0.444 175.916 176.300 0.100 0.000 1.180 437 M CA -0.874 54.525 55.300 0.165 0.000 0.839 437 M CB 0.811 33.466 32.600 0.091 0.000 1.667 437 M HN 0.473 nan 8.290 nan 0.000 0.512 438 D N 1.790 122.247 120.400 0.095 0.000 2.458 438 D HA 0.083 4.723 4.640 -0.000 0.000 0.243 438 D C 0.063 176.374 176.300 0.018 0.000 1.146 438 D CA 1.090 55.118 54.000 0.047 0.000 0.877 438 D CB 0.123 40.950 40.800 0.045 0.000 1.176 438 D HN 0.572 nan 8.370 nan 0.000 0.461 439 N N 0.696 119.397 118.700 0.001 0.000 2.979 439 N HA -0.158 4.582 4.740 -0.000 0.000 0.234 439 N C -0.984 174.504 175.510 -0.037 0.000 0.938 439 N CA 0.515 53.556 53.050 -0.015 0.000 0.961 439 N CB -0.822 37.657 38.487 -0.013 0.000 1.089 439 N HN 0.468 nan 8.380 nan 0.000 0.576 440 D N 1.883 122.256 120.400 -0.044 0.000 2.389 440 D HA 0.211 4.850 4.640 -0.000 0.000 0.247 440 D C -1.955 174.305 176.300 -0.068 0.000 1.128 440 D CA -0.745 53.200 54.000 -0.092 0.000 0.884 440 D CB 0.683 41.418 40.800 -0.108 0.000 1.194 440 D HN 0.153 nan 8.370 nan 0.000 0.441 441 P HA 0.086 nan 4.420 nan 0.000 0.282 441 P C -0.595 176.698 177.300 -0.012 0.000 1.262 441 P CA -0.432 62.646 63.100 -0.036 0.000 0.773 441 P CB 1.022 32.697 31.700 -0.042 0.000 0.879 442 V N 1.850 121.783 119.914 0.033 0.000 2.876 442 V HA 0.499 4.618 4.120 -0.000 0.000 0.312 442 V C -0.662 175.514 176.094 0.137 0.000 1.085 442 V CA -1.403 60.935 62.300 0.064 0.000 0.945 442 V CB 2.058 33.898 31.823 0.028 0.000 1.017 442 V HN 0.240 nan 8.190 nan 0.000 0.428 443 L N 3.930 125.259 121.223 0.176 0.000 2.278 443 L HA 0.582 4.922 4.340 -0.000 0.000 0.287 443 L C -0.734 176.316 176.870 0.300 0.000 1.072 443 L CA 0.020 55.003 54.840 0.239 0.000 0.819 443 L CB 0.446 42.637 42.059 0.220 0.000 1.176 443 L HN 0.740 nan 8.230 nan 0.000 0.435 444 F N 6.218 126.235 119.950 0.110 0.000 2.443 444 F HA 0.540 5.066 4.527 -0.000 0.000 0.335 444 F C -0.040 175.805 175.800 0.074 0.000 1.104 444 F CA -0.706 57.249 58.000 -0.074 0.000 1.013 444 F CB 1.051 39.833 39.000 -0.364 0.000 1.136 444 F HN 0.657 nan 8.300 nan 0.000 0.470 445 N N 4.974 123.375 118.700 -0.499 0.000 2.405 445 N HA 0.313 5.053 4.740 -0.000 0.000 0.274 445 N C -2.078 173.191 175.510 -0.400 0.000 1.170 445 N CA -0.698 52.225 53.050 -0.213 0.000 0.848 445 N CB 2.429 40.950 38.487 0.057 0.000 1.629 445 N HN 0.833 nan 8.380 nan 0.000 0.481 446 R N 2.183 122.577 120.500 -0.176 0.000 2.439 446 R HA 0.305 4.644 4.340 -0.000 0.000 0.310 446 R C -0.704 175.577 176.300 -0.032 0.000 0.955 446 R CA -0.383 55.619 56.100 -0.163 0.000 0.853 446 R CB 1.273 31.468 30.300 -0.175 0.000 1.171 446 R HN 0.605 nan 8.270 nan 0.000 0.449 447 Q N 4.285 124.059 119.800 -0.044 0.000 2.306 447 Q HA 0.337 4.677 4.340 -0.000 0.000 0.241 447 Q C -2.020 173.965 176.000 -0.025 0.000 0.948 447 Q CA -1.918 53.873 55.803 -0.020 0.000 0.886 447 Q CB 0.953 29.681 28.738 -0.016 0.000 1.227 447 Q HN 0.473 nan 8.270 nan 0.000 0.457 448 P HA 0.023 nan 4.420 nan 0.000 0.280 448 P C -1.046 176.244 177.300 -0.016 0.000 1.244 448 P CA -0.352 62.735 63.100 -0.021 0.000 0.784 448 P CB 0.939 32.622 31.700 -0.029 0.000 0.913 449 S N 2.566 118.262 115.700 -0.005 0.000 2.466 449 S HA 0.303 4.773 4.470 -0.000 0.000 0.313 449 S C 0.634 175.230 174.600 -0.006 0.000 1.078 449 S CA -0.682 57.524 58.200 0.010 0.000 1.115 449 S CB -0.183 63.034 63.200 0.029 0.000 1.006 449 S HN 0.248 nan 8.310 nan 0.000 0.487 450 L N 0.871 122.076 121.223 -0.029 0.000 2.728 450 L HA 0.510 4.850 4.340 -0.000 0.000 0.238 450 L C 0.563 177.435 176.870 0.003 0.000 1.143 450 L CA 0.099 54.909 54.840 -0.050 0.000 0.937 450 L CB -1.137 40.857 42.059 -0.108 0.000 1.225 450 L HN 0.714 nan 8.230 nan 0.000 0.507 451 H N -0.211 118.817 119.070 -0.071 0.000 2.834 451 H HA 0.328 4.884 4.556 -0.000 0.000 0.369 451 H C 0.228 175.503 175.328 -0.089 0.000 1.174 451 H CA -0.688 55.305 56.048 -0.092 0.000 1.165 451 H CB 2.183 31.884 29.762 -0.103 0.000 1.820 451 H HN -0.016 nan 8.280 nan 0.000 0.558 452 K N 0.722 121.091 120.400 -0.051 0.000 2.211 452 K HA 0.037 4.357 4.320 -0.000 0.000 0.201 452 K C 1.159 177.680 176.600 -0.131 0.000 1.052 452 K CA 0.900 57.135 56.287 -0.087 0.000 0.973 452 K CB 0.172 32.601 32.500 -0.117 0.000 0.766 452 K HN 0.335 nan 8.250 nan 0.000 0.466 453 M N 2.056 121.508 119.600 -0.247 0.000 2.700 453 M HA -0.021 4.458 4.480 -0.000 0.000 0.249 453 M C 1.167 177.268 176.300 -0.332 0.000 1.082 453 M CA 0.875 55.992 55.300 -0.305 0.000 1.077 453 M CB -0.221 32.137 32.600 -0.404 0.000 1.477 453 M HN 0.289 nan 8.290 nan 0.000 0.529 454 S N -1.562 114.054 115.700 -0.140 0.000 2.557 454 S HA 0.347 4.817 4.470 -0.000 0.000 0.223 454 S C 0.614 175.303 174.600 0.149 0.000 0.969 454 S CA -0.382 57.779 58.200 -0.064 0.000 0.927 454 S CB 0.044 63.299 63.200 0.092 0.000 0.806 454 S HN 0.437 nan 8.310 nan 0.000 0.489 455 M N 2.259 121.903 119.600 0.073 0.000 1.988 455 M HA 0.455 4.935 4.480 -0.000 0.000 0.243 455 M C -1.441 174.930 176.300 0.118 0.000 0.897 455 M CA 0.162 55.550 55.300 0.147 0.000 0.935 455 M CB 1.512 34.156 32.600 0.074 0.000 1.956 455 M HN 0.267 nan 8.290 nan 0.000 0.389 456 M N 1.283 121.025 119.600 0.237 0.000 2.664 456 M HA 0.717 5.197 4.480 -0.000 0.000 0.314 456 M C 0.112 176.562 176.300 0.250 0.000 1.200 456 M CA -0.781 54.608 55.300 0.150 0.000 0.916 456 M CB 2.245 34.868 32.600 0.039 0.000 1.717 456 M HN 0.553 nan 8.290 nan 0.000 0.470 457 A N 1.461 124.328 122.820 0.078 0.000 2.363 457 A HA 0.530 4.850 4.320 -0.000 0.000 0.270 457 A C -0.783 176.790 177.584 -0.019 0.000 1.121 457 A CA -0.200 51.887 52.037 0.084 0.000 0.800 457 A CB 0.170 19.177 19.000 0.011 0.000 1.052 457 A HN 0.870 nan 8.150 nan 0.000 0.493 458 H N 0.907 119.993 119.070 0.027 0.000 2.855 458 H HA 0.434 4.990 4.556 -0.000 0.000 0.363 458 H C -0.625 174.675 175.328 -0.048 0.000 1.185 458 H CA -0.793 55.244 56.048 -0.018 0.000 1.174 458 H CB 1.727 31.452 29.762 -0.061 0.000 1.857 458 H HN 0.693 nan 8.280 nan 0.000 0.565 459 R N 0.898 121.436 120.500 0.063 0.000 2.346 459 R HA 0.328 4.668 4.340 -0.000 0.000 0.311 459 R C -0.522 175.775 176.300 -0.005 0.000 0.983 459 R CA -0.678 55.428 56.100 0.009 0.000 0.880 459 R CB 1.549 31.846 30.300 -0.005 0.000 1.100 459 R HN 0.199 nan 8.270 nan 0.000 0.453 460 V N 3.528 123.428 119.914 -0.022 0.000 2.811 460 V HA 0.099 4.219 4.120 -0.000 0.000 0.302 460 V C 0.433 176.513 176.094 -0.023 0.000 1.063 460 V CA 0.234 62.511 62.300 -0.038 0.000 1.088 460 V CB 0.971 32.784 31.823 -0.017 0.000 0.982 460 V HN 0.547 nan 8.190 nan 0.000 0.485 461 K N 3.636 124.014 120.400 -0.038 0.000 2.705 461 K HA 0.330 4.650 4.320 -0.000 0.000 0.238 461 K C -1.181 175.394 176.600 -0.041 0.000 0.996 461 K CA -0.410 55.862 56.287 -0.026 0.000 1.007 461 K CB 1.600 34.085 32.500 -0.026 0.000 1.206 461 K HN 0.460 nan 8.250 nan 0.000 0.488 462 V N 5.878 125.763 119.914 -0.047 0.000 2.655 462 V HA 0.254 4.374 4.120 -0.000 0.000 0.300 462 V C 0.883 176.911 176.094 -0.109 0.000 1.044 462 V CA -0.032 62.198 62.300 -0.117 0.000 1.095 462 V CB 0.105 31.782 31.823 -0.243 0.000 0.952 462 V HN 0.606 nan 8.190 nan 0.000 0.485 463 I N 2.761 123.260 120.570 -0.119 0.000 3.191 463 I HA 0.674 4.844 4.170 -0.000 0.000 0.313 463 I C -2.469 173.555 176.117 -0.154 0.000 1.193 463 I CA -2.455 58.783 61.300 -0.102 0.000 0.968 463 I CB 2.150 40.124 38.000 -0.044 0.000 1.262 463 I HN 0.337 nan 8.210 nan 0.000 0.456 464 P HA -0.015 nan 4.420 nan 0.000 0.309 464 P C -0.366 176.728 177.300 -0.344 0.000 1.423 464 P CA 0.391 63.247 63.100 -0.407 0.000 0.814 464 P CB -0.243 31.013 31.700 -0.739 0.000 1.900 465 Y N -0.667 119.595 120.300 -0.063 0.000 3.335 465 Y HA -0.173 4.377 4.550 -0.000 0.000 0.365 465 Y C 1.934 177.780 175.900 -0.090 0.000 1.199 465 Y CA 0.103 58.161 58.100 -0.069 0.000 1.527 465 Y CB -1.618 36.806 38.460 -0.060 0.000 1.098 465 Y HN 0.234 nan 8.280 nan 0.000 0.628 466 S N 0.294 116.018 115.700 0.039 0.000 2.700 466 S HA 0.284 4.754 4.470 -0.000 0.000 0.250 466 S C 0.432 174.984 174.600 -0.081 0.000 1.355 466 S CA -0.406 57.757 58.200 -0.062 0.000 0.970 466 S CB -0.003 63.149 63.200 -0.080 0.000 0.975 466 S HN 1.797 nan 8.310 nan 0.000 0.563 467 T N -2.432 112.013 114.554 -0.181 0.000 0.542 467 T HA -0.203 4.147 4.350 -0.000 0.000 0.774 467 T C -0.465 174.153 174.700 -0.136 0.000 0.992 467 T CA -0.077 61.917 62.100 -0.177 0.000 4.076 467 T CB -2.354 66.477 68.868 -0.062 0.000 2.303 467 T HN 0.524 nan 8.240 nan 0.000 0.398 468 F N 3.014 122.955 119.950 -0.015 0.000 2.380 468 F HA 0.632 5.158 4.527 -0.000 0.000 0.325 468 F C 1.775 177.518 175.800 -0.095 0.000 1.136 468 F CA -1.010 56.942 58.000 -0.080 0.000 1.171 468 F CB 0.997 39.981 39.000 -0.027 0.000 1.230 468 F HN 0.556 nan 8.300 nan 0.000 0.554 469 R N 2.975 123.505 120.500 0.049 0.000 2.575 469 R HA 0.634 4.974 4.340 -0.000 0.000 0.293 469 R C -1.526 174.724 176.300 -0.083 0.000 0.983 469 R CA -0.898 55.177 56.100 -0.041 0.000 0.887 469 R CB 2.122 32.387 30.300 -0.057 0.000 1.184 469 R HN 0.557 nan 8.270 nan 0.000 0.445 470 L N 1.283 122.495 121.223 -0.017 0.000 2.319 470 L HA 0.447 4.786 4.340 -0.000 0.000 0.267 470 L C 0.173 177.089 176.870 0.077 0.000 1.011 470 L CA -1.197 53.675 54.840 0.053 0.000 0.818 470 L CB 1.648 43.837 42.059 0.216 0.000 1.316 470 L HN 0.529 nan 8.230 nan 0.000 0.432 471 N N 1.044 119.806 118.700 0.103 0.000 2.518 471 N HA 0.085 4.825 4.740 -0.000 0.000 0.266 471 N C 0.625 176.227 175.510 0.154 0.000 1.196 471 N CA -0.012 53.095 53.050 0.095 0.000 0.947 471 N CB 1.426 39.957 38.487 0.072 0.000 1.098 471 N HN 0.579 nan 8.380 nan 0.000 0.450 472 L N 2.370 123.684 121.223 0.150 0.000 2.265 472 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 472 L C 2.108 179.083 176.870 0.175 0.000 1.117 472 L CA 0.974 55.936 54.840 0.204 0.000 0.782 472 L CB -0.114 42.049 42.059 0.174 0.000 0.914 472 L HN 0.543 nan 8.230 nan 0.000 0.441 473 S N -1.949 113.833 115.700 0.137 0.000 2.562 473 S HA 0.009 4.478 4.470 -0.000 0.000 0.221 473 S C 1.525 176.143 174.600 0.030 0.000 0.975 473 S CA 0.258 58.524 58.200 0.110 0.000 0.918 473 S CB 0.340 63.635 63.200 0.160 0.000 0.772 473 S HN 0.215 nan 8.310 nan 0.000 0.531 474 V N 1.226 121.190 119.914 0.082 0.000 3.649 474 V HA 0.042 4.162 4.120 -0.000 0.000 0.275 474 V C 1.921 178.178 176.094 0.272 0.000 1.281 474 V CA 0.918 63.304 62.300 0.142 0.000 1.143 474 V CB -0.347 31.644 31.823 0.280 0.000 0.892 474 V HN 0.409 nan 8.190 nan 0.000 0.441 475 T N -0.145 114.533 114.554 0.206 0.000 2.777 475 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 475 T C 2.140 176.908 174.700 0.113 0.000 1.040 475 T CA 2.068 64.267 62.100 0.166 0.000 1.141 475 T CB -0.074 68.851 68.868 0.096 0.000 0.868 475 T HN 0.740 nan 8.240 nan 0.000 0.444 476 S N 1.719 117.464 115.700 0.076 0.000 2.368 476 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 476 S C -0.223 174.400 174.600 0.039 0.000 1.029 476 S CA 0.802 59.030 58.200 0.047 0.000 0.988 476 S CB -1.260 61.966 63.200 0.043 0.000 0.838 476 S HN 0.403 nan 8.310 nan 0.000 0.462 477 P HA -0.041 nan 4.420 nan 0.000 0.228 477 P C 0.332 177.560 177.300 -0.120 0.000 1.151 477 P CA 0.964 64.017 63.100 -0.077 0.000 0.770 477 P CB -0.359 31.212 31.700 -0.215 0.000 0.786 478 Y N -0.825 119.496 120.300 0.036 0.000 2.442 478 Y HA 0.191 4.741 4.550 -0.000 0.000 0.250 478 Y C 0.912 176.792 175.900 -0.034 0.000 1.113 478 Y CA -0.312 57.791 58.100 0.004 0.000 1.273 478 Y CB -0.245 38.213 38.460 -0.004 0.000 1.138 478 Y HN -0.046 nan 8.280 nan 0.000 0.522 479 N N 0.668 119.425 118.700 0.095 0.000 2.696 479 N HA -0.191 4.549 4.740 -0.000 0.000 0.256 479 N C -0.917 174.584 175.510 -0.014 0.000 1.031 479 N CA 0.038 53.097 53.050 0.014 0.000 0.730 479 N CB -0.645 37.832 38.487 -0.017 0.000 0.894 479 N HN 0.302 nan 8.380 nan 0.000 0.544 480 A N 1.245 124.039 122.820 -0.043 0.000 2.413 480 A HA 0.676 4.996 4.320 -0.000 0.000 0.307 480 A C -0.809 176.577 177.584 -0.330 0.000 1.087 480 A CA -0.251 51.694 52.037 -0.153 0.000 0.750 480 A CB 1.423 20.339 19.000 -0.140 0.000 1.296 480 A HN 0.531 nan 8.150 nan 0.000 0.423 481 D N -0.560 119.591 120.400 -0.414 0.000 2.570 481 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 481 D C -1.276 174.672 176.300 -0.588 0.000 1.178 481 D CA -0.550 53.101 54.000 -0.581 0.000 0.881 481 D CB 0.773 41.422 40.800 -0.253 0.000 1.453 481 D HN 0.264 nan 8.370 nan 0.000 0.447 482 F N 0.574 120.535 119.950 0.019 0.000 2.894 482 F HA 0.176 4.703 4.527 -0.000 0.000 0.310 482 F C 0.845 176.648 175.800 0.005 0.000 1.204 482 F CA -0.695 57.314 58.000 0.014 0.000 1.290 482 F CB 0.114 39.124 39.000 0.016 0.000 1.317 482 F HN 0.197 nan 8.300 nan 0.000 0.545 483 D N -0.800 119.642 120.400 0.071 0.000 2.463 483 D HA 0.283 4.923 4.640 -0.000 0.000 0.224 483 D C 1.470 177.791 176.300 0.034 0.000 1.174 483 D CA 0.021 54.050 54.000 0.048 0.000 0.829 483 D CB 0.519 41.326 40.800 0.012 0.000 0.993 483 D HN 0.419 nan 8.370 nan 0.000 0.497 484 G N 0.014 108.844 108.800 0.051 0.000 2.370 484 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.174 484 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.174 484 G C -0.417 174.499 174.900 0.026 0.000 1.002 484 G CA -0.505 44.615 45.100 0.033 0.000 0.730 484 G HN 0.275 nan 8.290 nan 0.000 0.497 485 D N 1.305 121.718 120.400 0.022 0.000 2.449 485 D HA 0.467 5.107 4.640 -0.000 0.000 0.236 485 D C 0.588 176.910 176.300 0.037 0.000 1.149 485 D CA 0.739 54.741 54.000 0.004 0.000 0.878 485 D CB 0.775 41.552 40.800 -0.037 0.000 1.198 485 D HN 0.487 nan 8.370 nan 0.000 0.446 486 E N 0.584 120.793 120.200 0.014 0.000 2.277 486 E HA 0.560 4.910 4.350 -0.000 0.000 0.266 486 E C -0.416 176.183 176.600 -0.001 0.000 0.901 486 E CA -0.757 55.666 56.400 0.038 0.000 0.782 486 E CB 1.965 31.677 29.700 0.020 0.000 1.228 486 E HN 0.282 nan 8.360 nan 0.000 0.424 487 M N 1.467 121.098 119.600 0.051 0.000 2.593 487 M HA 0.417 4.897 4.480 -0.000 0.000 0.290 487 M C -1.069 175.175 176.300 -0.093 0.000 1.244 487 M CA -1.108 54.079 55.300 -0.189 0.000 0.857 487 M CB 2.054 34.286 32.600 -0.614 0.000 1.738 487 M HN 0.336 nan 8.290 nan 0.000 0.461 488 N N 2.098 120.611 118.700 -0.311 0.000 2.443 488 N HA 0.626 5.366 4.740 -0.000 0.000 0.295 488 N C -1.471 173.832 175.510 -0.344 0.000 1.076 488 N CA -0.456 52.450 53.050 -0.240 0.000 0.919 488 N CB 2.297 40.635 38.487 -0.247 0.000 1.176 488 N HN 0.614 nan 8.380 nan 0.000 0.487 489 L N 2.434 123.517 121.223 -0.235 0.000 2.372 489 L HA 0.378 4.718 4.340 -0.000 0.000 0.274 489 L C -0.978 175.766 176.870 -0.210 0.000 0.988 489 L CA -0.615 54.155 54.840 -0.116 0.000 0.833 489 L CB 0.689 42.646 42.059 -0.171 0.000 1.236 489 L HN 0.484 nan 8.230 nan 0.000 0.410 490 H N 4.362 123.497 119.070 0.109 0.000 2.458 490 H HA 0.389 4.944 4.556 -0.000 0.000 0.330 490 H C -0.779 174.621 175.328 0.120 0.000 1.111 490 H CA -0.629 55.493 56.048 0.123 0.000 1.245 490 H CB 2.381 32.203 29.762 0.100 0.000 1.456 490 H HN 0.323 nan 8.280 nan 0.000 0.488 491 V N 6.318 126.384 119.914 0.255 0.000 2.333 491 V HA 0.138 4.258 4.120 -0.000 0.000 0.274 491 V C -1.857 174.320 176.094 0.137 0.000 1.028 491 V CA -1.667 60.734 62.300 0.168 0.000 0.851 491 V CB 1.186 33.103 31.823 0.157 0.000 1.000 491 V HN 0.636 nan 8.190 nan 0.000 0.456 492 P HA 0.016 nan 4.420 nan 0.000 0.264 492 P C -0.270 177.098 177.300 0.113 0.000 1.193 492 P CA 0.086 63.236 63.100 0.084 0.000 0.763 492 P CB 1.179 32.907 31.700 0.046 0.000 0.810 493 Q N 1.301 121.148 119.800 0.080 0.000 2.319 493 Q HA 0.100 4.440 4.340 -0.000 0.000 0.202 493 Q C 0.576 176.618 176.000 0.070 0.000 0.896 493 Q CA 0.162 55.970 55.803 0.009 0.000 0.942 493 Q CB 0.159 28.810 28.738 -0.144 0.000 1.083 493 Q HN 0.643 nan 8.270 nan 0.000 0.510 494 S N -2.581 113.218 115.700 0.164 0.000 2.732 494 S HA 0.452 4.922 4.470 -0.000 0.000 0.293 494 S C 0.552 175.270 174.600 0.198 0.000 1.159 494 S CA -0.672 57.611 58.200 0.139 0.000 0.847 494 S CB 1.278 64.514 63.200 0.060 0.000 1.169 494 S HN -0.069 nan 8.310 nan 0.000 0.501 495 E N 0.643 120.933 120.200 0.149 0.000 2.072 495 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 495 E C 1.556 178.197 176.600 0.068 0.000 0.982 495 E CA 1.723 58.197 56.400 0.123 0.000 0.803 495 E CB -0.348 29.415 29.700 0.105 0.000 0.755 495 E HN 0.754 nan 8.360 nan 0.000 0.453 496 E N -0.793 119.440 120.200 0.056 0.000 2.106 496 E HA -0.111 4.238 4.350 -0.000 0.000 0.192 496 E C 2.052 178.672 176.600 0.033 0.000 0.984 496 E CA 1.530 57.953 56.400 0.039 0.000 0.806 496 E CB -0.324 29.395 29.700 0.032 0.000 0.750 496 E HN 0.110 nan 8.360 nan 0.000 0.458 497 T N 0.191 114.770 114.554 0.041 0.000 2.746 497 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 497 T C 1.790 176.506 174.700 0.026 0.000 1.039 497 T CA 1.126 63.247 62.100 0.035 0.000 1.142 497 T CB -0.086 68.810 68.868 0.048 0.000 0.866 497 T HN 0.064 nan 8.240 nan 0.000 0.444 498 R N 0.467 120.981 120.500 0.024 0.000 2.080 498 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 498 R C 2.711 179.003 176.300 -0.014 0.000 1.137 498 R CA 1.539 57.629 56.100 -0.017 0.000 0.943 498 R CB -0.505 29.762 30.300 -0.054 0.000 0.846 498 R HN 0.366 nan 8.270 nan 0.000 0.431 499 A N 0.727 123.547 122.820 -0.001 0.000 1.883 499 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 499 A C 1.988 179.574 177.584 0.003 0.000 1.186 499 A CA 1.781 53.819 52.037 0.001 0.000 0.624 499 A CB -0.624 18.384 19.000 0.013 0.000 0.822 499 A HN 0.446 nan 8.150 nan 0.000 0.444 500 E N -0.370 119.836 120.200 0.009 0.000 2.114 500 E HA -0.209 4.140 4.350 -0.000 0.000 0.199 500 E C 1.951 178.550 176.600 -0.002 0.000 1.008 500 E CA 1.435 57.839 56.400 0.007 0.000 0.810 500 E CB -0.207 29.496 29.700 0.006 0.000 0.739 500 E HN 0.653 nan 8.360 nan 0.000 0.456 501 L N 0.139 121.361 121.223 -0.001 0.000 2.005 501 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 501 L C 2.584 179.444 176.870 -0.015 0.000 1.072 501 L CA 1.479 56.317 54.840 -0.003 0.000 0.744 501 L CB -0.681 41.384 42.059 0.009 0.000 0.895 501 L HN 0.222 nan 8.230 nan 0.000 0.433 502 S N -1.584 114.104 115.700 -0.020 0.000 2.603 502 S HA -0.099 4.370 4.470 -0.000 0.000 0.229 502 S C 1.605 176.188 174.600 -0.028 0.000 0.972 502 S CA 0.475 58.658 58.200 -0.029 0.000 0.935 502 S CB 0.166 63.347 63.200 -0.032 0.000 0.769 502 S HN 0.309 nan 8.310 nan 0.000 0.536 503 Q N -0.798 118.990 119.800 -0.021 0.000 2.245 503 Q HA 0.497 4.837 4.340 -0.000 0.000 0.236 503 Q C 1.008 176.994 176.000 -0.024 0.000 0.842 503 Q CA 0.210 56.003 55.803 -0.016 0.000 0.945 503 Q CB 0.426 29.162 28.738 -0.003 0.000 1.122 503 Q HN 0.425 nan 8.270 nan 0.000 0.506 504 L N -2.120 119.085 121.223 -0.029 0.000 2.678 504 L HA 0.129 4.468 4.340 -0.000 0.000 0.211 504 L C 1.356 178.193 176.870 -0.053 0.000 1.043 504 L CA 0.872 55.687 54.840 -0.042 0.000 0.881 504 L CB -0.284 41.755 42.059 -0.034 0.000 1.361 504 L HN 0.123 nan 8.230 nan 0.000 0.484 505 C N 0.165 119.438 119.300 -0.044 0.000 2.634 505 C HA 0.532 4.991 4.460 -0.000 0.000 0.268 505 C C 1.453 176.401 174.990 -0.069 0.000 1.322 505 C CA -0.824 58.165 59.018 -0.049 0.000 1.737 505 C CB -1.055 26.674 27.740 -0.018 0.000 1.976 505 C HN 0.394 nan 8.230 nan 0.000 0.547 506 A N 1.541 124.318 122.820 -0.072 0.000 2.608 506 A HA 0.181 4.501 4.320 -0.000 0.000 0.239 506 A C 1.458 178.953 177.584 -0.149 0.000 1.018 506 A CA 0.566 52.539 52.037 -0.105 0.000 0.766 506 A CB 0.191 19.141 19.000 -0.083 0.000 0.928 506 A HN 0.358 nan 8.150 nan 0.000 0.512 507 V N 4.540 124.313 119.914 -0.235 0.000 2.278 507 V HA -0.249 3.870 4.120 -0.000 0.000 0.251 507 V C -0.128 175.850 176.094 -0.194 0.000 1.062 507 V CA 2.794 64.939 62.300 -0.259 0.000 1.038 507 V CB -1.694 29.900 31.823 -0.381 0.000 0.646 507 V HN 0.837 nan 8.190 nan 0.000 0.447 508 P HA -0.154 nan 4.420 nan 0.000 0.216 508 P C 1.718 178.960 177.300 -0.096 0.000 1.153 508 P CA 1.388 64.421 63.100 -0.112 0.000 0.858 508 P CB -0.157 31.498 31.700 -0.074 0.000 0.789 509 L N -1.095 120.071 121.223 -0.095 0.000 2.633 509 L HA -0.111 4.228 4.340 -0.000 0.000 0.235 509 L C 1.657 178.461 176.870 -0.110 0.000 1.163 509 L CA 0.937 55.725 54.840 -0.087 0.000 0.859 509 L CB -0.665 41.349 42.059 -0.075 0.000 0.973 509 L HN 0.049 nan 8.230 nan 0.000 0.451 510 Q N -0.926 118.795 119.800 -0.132 0.000 2.217 510 Q HA 0.228 4.568 4.340 -0.000 0.000 0.217 510 Q C 2.028 177.935 176.000 -0.155 0.000 0.844 510 Q CA 0.085 55.796 55.803 -0.153 0.000 0.957 510 Q CB 0.800 29.433 28.738 -0.176 0.000 1.127 510 Q HN 0.523 nan 8.270 nan 0.000 0.503 511 I N 0.373 120.864 120.570 -0.133 0.000 2.127 511 I HA -0.177 3.992 4.170 -0.000 0.000 0.241 511 I C 0.707 176.754 176.117 -0.117 0.000 1.075 511 I CA 1.102 62.342 61.300 -0.101 0.000 1.334 511 I CB 0.091 38.074 38.000 -0.029 0.000 1.040 511 I HN -0.128 nan 8.210 nan 0.000 0.405 512 V N 2.361 122.177 119.914 -0.163 0.000 2.368 512 V HA 0.125 4.245 4.120 -0.000 0.000 0.266 512 V C 0.341 176.329 176.094 -0.178 0.000 1.045 512 V CA -0.434 61.731 62.300 -0.224 0.000 0.899 512 V CB 0.651 32.276 31.823 -0.330 0.000 1.006 512 V HN 0.367 nan 8.190 nan 0.000 0.470 513 S N 6.792 122.408 115.700 -0.139 0.000 2.578 513 S HA 0.509 4.979 4.470 -0.000 0.000 0.283 513 S C -1.367 173.198 174.600 -0.058 0.000 1.195 513 S CA -1.416 56.709 58.200 -0.125 0.000 1.050 513 S CB 1.924 65.025 63.200 -0.164 0.000 1.012 513 S HN 0.549 nan 8.310 nan 0.000 0.511 514 P HA -0.065 nan 4.420 nan 0.000 0.236 514 P C 1.232 178.646 177.300 0.189 0.000 1.177 514 P CA 0.645 63.801 63.100 0.094 0.000 0.773 514 P CB 0.037 31.811 31.700 0.123 0.000 0.878 515 Q N 0.712 120.522 119.800 0.017 0.000 2.124 515 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 515 Q C 1.156 177.180 176.000 0.040 0.000 0.977 515 Q CA 2.048 57.827 55.803 -0.039 0.000 0.850 515 Q CB -0.584 28.087 28.738 -0.110 0.000 0.901 515 Q HN -0.005 nan 8.270 nan 0.000 0.429 516 S N 0.631 116.362 115.700 0.051 0.000 2.937 516 S HA 0.137 4.607 4.470 -0.000 0.000 0.252 516 S C -0.828 173.920 174.600 0.247 0.000 1.022 516 S CA -0.094 58.146 58.200 0.065 0.000 1.079 516 S CB 0.067 63.347 63.200 0.133 0.000 1.035 516 S HN 0.766 nan 8.310 nan 0.000 0.594 517 N N 2.581 121.390 118.700 0.181 0.000 2.686 517 N HA -0.285 4.455 4.740 -0.000 0.000 0.261 517 N C -0.570 175.066 175.510 0.210 0.000 1.001 517 N CA 1.329 54.491 53.050 0.187 0.000 0.764 517 N CB -1.711 36.916 38.487 0.232 0.000 0.898 517 N HN 0.700 nan 8.380 nan 0.000 0.544 518 K N -3.850 116.619 120.400 0.115 0.000 2.658 518 K HA 0.541 4.861 4.320 -0.000 0.000 0.293 518 K C -3.418 173.156 176.600 -0.044 0.000 1.026 518 K CA -1.943 54.401 56.287 0.094 0.000 0.871 518 K CB 1.358 33.968 32.500 0.184 0.000 1.524 518 K HN -0.088 nan 8.250 nan 0.000 0.400 519 P HA -0.020 nan 4.420 nan 0.000 0.267 519 P C 0.576 177.871 177.300 -0.008 0.000 1.200 519 P CA -0.289 62.770 63.100 -0.069 0.000 0.772 519 P CB 0.518 32.206 31.700 -0.020 0.000 0.855 520 C N 1.308 120.592 119.300 -0.027 0.000 3.000 520 C HA 0.566 5.026 4.460 -0.000 0.000 0.286 520 C C 0.304 175.293 174.990 -0.002 0.000 1.343 520 C CA -0.505 58.500 59.018 -0.022 0.000 1.742 520 C CB -1.282 26.405 27.740 -0.088 0.000 2.200 520 C HN 0.398 nan 8.230 nan 0.000 0.621 521 M N 1.227 120.855 119.600 0.047 0.000 2.324 521 M HA 0.633 5.112 4.480 -0.000 0.000 0.288 521 M C -0.157 176.336 176.300 0.321 0.000 1.097 521 M CA 0.181 55.543 55.300 0.102 0.000 0.928 521 M CB 2.341 34.907 32.600 -0.057 0.000 1.648 521 M HN 0.410 nan 8.290 nan 0.000 0.460 522 G N 2.001 111.008 108.800 0.345 0.000 2.687 522 G HA2 0.734 4.694 3.960 -0.000 0.000 0.291 522 G HA3 0.734 4.694 3.960 -0.000 0.000 0.291 522 G C -1.517 173.555 174.900 0.286 0.000 1.420 522 G CA -0.830 44.458 45.100 0.312 0.000 0.796 522 G HN 0.643 nan 8.290 nan 0.000 0.485 523 I N 0.956 121.576 120.570 0.082 0.000 2.533 523 I HA 0.360 4.530 4.170 -0.000 0.000 0.284 523 I C 0.786 176.938 176.117 0.059 0.000 1.109 523 I CA 0.085 61.425 61.300 0.066 0.000 1.412 523 I CB 0.945 38.916 38.000 -0.048 0.000 1.396 523 I HN 0.443 nan 8.210 nan 0.000 0.543 524 V N 3.278 123.237 119.914 0.075 0.000 3.105 524 V HA 0.540 4.660 4.120 -0.000 0.000 0.311 524 V C 0.357 176.473 176.094 0.037 0.000 1.282 524 V CA -0.607 61.724 62.300 0.053 0.000 1.065 524 V CB 1.308 33.174 31.823 0.072 0.000 1.136 524 V HN 0.831 nan 8.190 nan 0.000 0.469 525 Q N -0.380 119.439 119.800 0.032 0.000 2.443 525 Q HA -0.373 3.967 4.340 -0.000 0.000 0.445 525 Q C 1.315 177.311 176.000 -0.006 0.000 0.566 525 Q CA 2.817 58.635 55.803 0.025 0.000 0.976 525 Q CB -1.591 27.182 28.738 0.058 0.000 2.346 525 Q HN 1.057 nan 8.270 nan 0.000 1.001 526 D N -0.434 119.970 120.400 0.007 0.000 2.084 526 D HA -0.077 4.563 4.640 -0.000 0.000 0.194 526 D C 1.976 178.255 176.300 -0.034 0.000 0.990 526 D CA 2.182 56.172 54.000 -0.017 0.000 0.826 526 D CB -0.336 40.469 40.800 0.007 0.000 0.971 526 D HN 0.499 nan 8.370 nan 0.000 0.453 527 T N 0.527 115.074 114.554 -0.012 0.000 2.833 527 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 527 T C 1.810 176.483 174.700 -0.045 0.000 1.054 527 T CA 0.470 62.559 62.100 -0.019 0.000 1.135 527 T CB -0.216 68.651 68.868 -0.001 0.000 0.869 527 T HN 0.027 nan 8.240 nan 0.000 0.466 528 L N 0.750 121.945 121.223 -0.046 0.000 2.044 528 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 528 L C 2.706 179.514 176.870 -0.102 0.000 1.075 528 L CA 1.358 56.160 54.840 -0.063 0.000 0.747 528 L CB -1.058 40.976 42.059 -0.043 0.000 0.903 528 L HN 0.362 nan 8.230 nan 0.000 0.435 529 C N -0.268 118.946 119.300 -0.143 0.000 2.413 529 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 529 C C 2.768 177.632 174.990 -0.210 0.000 1.265 529 C CA 0.982 59.844 59.018 -0.260 0.000 1.752 529 C CB -1.586 25.882 27.740 -0.454 0.000 1.998 529 C HN 0.717 nan 8.230 nan 0.000 0.489 530 G N -0.481 108.251 108.800 -0.112 0.000 2.408 530 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.215 530 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.215 530 G C 1.567 176.412 174.900 -0.093 0.000 1.156 530 G CA 0.726 45.831 45.100 0.008 0.000 0.793 530 G HN 0.591 nan 8.290 nan 0.000 0.535 531 I N 0.188 120.685 120.570 -0.121 0.000 2.454 531 I HA -0.103 4.067 4.170 -0.000 0.000 0.254 531 I C 2.737 178.735 176.117 -0.199 0.000 1.156 531 I CA 1.105 62.300 61.300 -0.176 0.000 1.433 531 I CB -0.014 37.907 38.000 -0.131 0.000 1.082 531 I HN 0.166 nan 8.210 nan 0.000 0.432 532 R N 1.057 121.465 120.500 -0.152 0.000 2.056 532 R HA -0.175 4.164 4.340 -0.000 0.000 0.227 532 R C 2.276 178.487 176.300 -0.149 0.000 1.149 532 R CA 1.544 57.567 56.100 -0.129 0.000 0.937 532 R CB -0.229 30.017 30.300 -0.090 0.000 0.835 532 R HN 0.225 nan 8.270 nan 0.000 0.430 533 K N 0.566 120.899 120.400 -0.112 0.000 2.089 533 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 533 K C 2.074 178.483 176.600 -0.318 0.000 1.048 533 K CA 1.577 57.834 56.287 -0.051 0.000 0.926 533 K CB -0.412 32.214 32.500 0.210 0.000 0.714 533 K HN 0.186 nan 8.250 nan 0.000 0.448 534 L N 1.159 121.950 121.223 -0.720 0.000 2.353 534 L HA -0.099 4.240 4.340 -0.000 0.000 0.220 534 L C 1.507 178.043 176.870 -0.557 0.000 1.133 534 L CA 1.758 55.934 54.840 -1.106 0.000 0.798 534 L CB -0.230 41.121 42.059 -1.180 0.000 0.922 534 L HN 0.059 nan 8.230 nan 0.000 0.445 535 T N -0.533 113.814 114.554 -0.344 0.000 3.040 535 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 535 T C 0.831 175.430 174.700 -0.168 0.000 1.058 535 T CA -0.431 61.531 62.100 -0.230 0.000 0.988 535 T CB -0.096 68.667 68.868 -0.174 0.000 0.993 535 T HN 0.079 nan 8.240 nan 0.000 0.519 536 L N 1.366 122.501 121.223 -0.147 0.000 2.492 536 L HA 0.192 4.532 4.340 -0.000 0.000 0.280 536 L C 1.938 178.731 176.870 -0.128 0.000 1.240 536 L CA -0.189 54.597 54.840 -0.090 0.000 0.831 536 L CB 0.490 42.527 42.059 -0.037 0.000 1.100 536 L HN 0.043 nan 8.230 nan 0.000 0.505 537 R N 0.323 120.772 120.500 -0.084 0.000 2.081 537 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 537 R C 0.831 177.033 176.300 -0.164 0.000 1.131 537 R CA 1.163 57.196 56.100 -0.112 0.000 0.960 537 R CB -0.143 30.154 30.300 -0.006 0.000 0.856 537 R HN 0.625 nan 8.270 nan 0.000 0.436 538 D N 0.567 120.967 120.400 -0.000 0.000 2.368 538 D HA -0.022 4.618 4.640 -0.000 0.000 0.250 538 D C -0.324 176.050 176.300 0.124 0.000 1.142 538 D CA 0.870 54.964 54.000 0.157 0.000 0.925 538 D CB 0.117 41.011 40.800 0.157 0.000 0.896 538 D HN 0.078 nan 8.370 nan 0.000 0.525 539 T N 0.671 115.114 114.554 -0.185 0.000 2.772 539 T HA 0.433 4.782 4.350 -0.000 0.000 0.288 539 T C -0.291 174.207 174.700 -0.338 0.000 0.994 539 T CA -0.470 61.582 62.100 -0.080 0.000 0.951 539 T CB 0.619 69.433 68.868 -0.089 0.000 0.933 539 T HN -0.189 nan 8.240 nan 0.000 0.447 540 F N 2.421 122.480 119.950 0.181 0.000 2.563 540 F HA 0.726 5.253 4.527 -0.000 0.000 0.316 540 F C -0.424 175.527 175.800 0.252 0.000 1.076 540 F CA -1.320 56.794 58.000 0.190 0.000 0.921 540 F CB 1.398 40.486 39.000 0.146 0.000 1.209 540 F HN 0.280 nan 8.300 nan 0.000 0.462 541 I N 1.020 121.870 120.570 0.466 0.000 2.509 541 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 541 I C -0.477 175.902 176.117 0.436 0.000 1.020 541 I CA -0.895 60.645 61.300 0.400 0.000 1.088 541 I CB 1.837 40.036 38.000 0.331 0.000 1.267 541 I HN 0.513 nan 8.210 nan 0.000 0.430 542 E N 3.779 124.170 120.200 0.319 0.000 2.313 542 E HA 0.182 4.532 4.350 -0.000 0.000 0.272 542 E C 0.865 177.612 176.600 0.244 0.000 1.038 542 E CA -0.646 55.946 56.400 0.321 0.000 0.863 542 E CB 1.352 31.174 29.700 0.204 0.000 1.060 542 E HN 0.553 nan 8.360 nan 0.000 0.402 543 L N 3.862 125.305 121.223 0.366 0.000 2.095 543 L HA -0.353 3.987 4.340 -0.000 0.000 0.229 543 L C 1.940 178.783 176.870 -0.045 0.000 1.097 543 L CA 2.721 57.636 54.840 0.124 0.000 0.813 543 L CB -0.657 41.586 42.059 0.307 0.000 0.907 543 L HN 0.840 nan 8.230 nan 0.000 0.445 544 D N -1.176 119.245 120.400 0.036 0.000 2.149 544 D HA -0.324 4.315 4.640 -0.000 0.000 0.198 544 D C 1.995 178.292 176.300 -0.005 0.000 0.990 544 D CA 2.043 56.049 54.000 0.010 0.000 0.839 544 D CB -0.386 40.433 40.800 0.032 0.000 0.948 544 D HN 0.778 nan 8.370 nan 0.000 0.460 545 Q N 0.290 120.105 119.800 0.024 0.000 2.163 545 Q HA -0.033 4.306 4.340 -0.000 0.000 0.198 545 Q C 2.430 178.435 176.000 0.008 0.000 0.954 545 Q CA 0.586 56.435 55.803 0.077 0.000 0.851 545 Q CB 0.238 29.058 28.738 0.138 0.000 0.928 545 Q HN 0.128 nan 8.270 nan 0.000 0.459 546 V N 1.396 121.234 119.914 -0.127 0.000 2.332 546 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 546 V C 2.322 178.209 176.094 -0.345 0.000 1.055 546 V CA 1.679 63.786 62.300 -0.321 0.000 1.038 546 V CB -0.613 30.726 31.823 -0.807 0.000 0.651 546 V HN 0.440 nan 8.190 nan 0.000 0.450 547 L N 0.091 121.135 121.223 -0.298 0.000 2.079 547 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 547 L C 2.492 179.206 176.870 -0.260 0.000 1.081 547 L CA 1.578 56.257 54.840 -0.268 0.000 0.752 547 L CB -0.833 41.131 42.059 -0.158 0.000 0.896 547 L HN 0.426 nan 8.230 nan 0.000 0.433 548 N N -0.002 118.590 118.700 -0.179 0.000 2.106 548 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 548 N C 1.949 177.279 175.510 -0.301 0.000 1.029 548 N CA 1.318 54.248 53.050 -0.199 0.000 0.848 548 N CB -0.207 38.194 38.487 -0.145 0.000 1.007 548 N HN 0.299 nan 8.380 nan 0.000 0.423 549 M N 0.665 120.086 119.600 -0.299 0.000 2.082 549 M HA -0.156 4.324 4.480 -0.000 0.000 0.258 549 M C 2.143 178.262 176.300 -0.302 0.000 1.069 549 M CA 1.356 56.513 55.300 -0.238 0.000 1.102 549 M CB -0.486 32.073 32.600 -0.068 0.000 1.336 549 M HN 0.099 nan 8.290 nan 0.000 0.404 550 L N -1.400 119.518 121.223 -0.508 0.000 1.989 550 L HA -0.265 4.075 4.340 -0.000 0.000 0.211 550 L C 2.595 178.877 176.870 -0.980 0.000 1.071 550 L CA 1.460 55.709 54.840 -0.985 0.000 0.749 550 L CB -0.900 40.271 42.059 -1.479 0.000 0.890 550 L HN 0.250 nan 8.230 nan 0.000 0.431 551 Y N -0.902 118.890 120.300 -0.846 0.000 2.403 551 Y HA -0.265 4.285 4.550 -0.000 0.000 0.291 551 Y C 2.046 177.742 175.900 -0.341 0.000 1.143 551 Y CA 0.829 58.626 58.100 -0.504 0.000 1.257 551 Y CB -0.487 37.741 38.460 -0.386 0.000 0.984 551 Y HN 0.119 nan 8.280 nan 0.000 0.550 552 W N -0.337 120.698 121.300 -0.442 0.000 2.388 552 W HA -0.018 4.642 4.660 -0.000 0.000 0.294 552 W C 0.628 176.978 176.519 -0.282 0.000 1.212 552 W CA 0.949 58.053 57.345 -0.402 0.000 1.271 552 W CB -0.238 28.991 29.460 -0.385 0.000 1.126 552 W HN -0.388 nan 8.180 nan 0.000 0.535 553 V N 4.367 124.278 119.914 -0.004 0.000 2.421 553 V HA -0.066 4.054 4.120 -0.000 0.000 0.271 553 V C -0.854 175.267 176.094 0.045 0.000 1.031 553 V CA -0.536 61.783 62.300 0.032 0.000 1.032 553 V CB 0.466 32.299 31.823 0.017 0.000 1.009 553 V HN -0.023 nan 8.190 nan 0.000 0.477 554 P HA -0.078 nan 4.420 nan 0.000 0.225 554 P C 0.387 177.737 177.300 0.084 0.000 1.148 554 P CA 0.924 64.039 63.100 0.024 0.000 0.779 554 P CB 0.401 32.107 31.700 0.010 0.000 0.780 555 D N -1.352 119.117 120.400 0.115 0.000 2.615 555 D HA 0.048 4.688 4.640 -0.000 0.000 0.236 555 D C -0.077 176.335 176.300 0.187 0.000 1.233 555 D CA -0.314 53.755 54.000 0.115 0.000 0.829 555 D CB -0.336 40.514 40.800 0.082 0.000 1.024 555 D HN 0.187 nan 8.370 nan 0.000 0.490 556 W N 2.876 124.181 121.300 0.009 0.000 2.251 556 W HA 0.132 4.792 4.660 -0.000 0.000 0.329 556 W C 0.741 177.274 176.519 0.024 0.000 1.234 556 W CA -0.779 56.577 57.345 0.019 0.000 1.228 556 W CB 0.898 30.376 29.460 0.029 0.000 1.135 556 W HN -0.081 nan 8.180 nan 0.000 0.576 557 D N 2.815 122.934 120.400 -0.467 0.000 2.358 557 D HA 0.127 4.766 4.640 -0.000 0.000 0.224 557 D C 1.474 177.233 176.300 -0.902 0.000 1.123 557 D CA 0.382 54.077 54.000 -0.508 0.000 0.833 557 D CB -0.222 40.401 40.800 -0.294 0.000 0.946 557 D HN 0.800 nan 8.370 nan 0.000 0.505 558 G N 0.481 108.085 108.800 -1.994 0.000 2.186 558 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.266 558 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.266 558 G C 0.295 174.534 174.900 -1.101 0.000 0.982 558 G CA 0.358 44.201 45.100 -2.094 0.000 0.670 558 G HN 0.393 nan 8.290 nan 0.000 0.533 559 V N 2.399 121.831 119.914 -0.804 0.000 2.339 559 V HA 0.319 4.438 4.120 -0.000 0.000 0.261 559 V C 1.138 177.291 176.094 0.098 0.000 1.058 559 V CA -0.628 61.538 62.300 -0.224 0.000 0.897 559 V CB 0.796 32.533 31.823 -0.142 0.000 1.052 559 V HN 0.340 nan 8.190 nan 0.000 0.480 560 I N 9.029 129.737 120.570 0.231 0.000 2.769 560 I HA 0.078 4.247 4.170 -0.000 0.000 0.285 560 I C -1.292 175.021 176.117 0.327 0.000 1.173 560 I CA -1.009 60.507 61.300 0.360 0.000 1.389 560 I CB 0.195 38.373 38.000 0.297 0.000 1.404 560 I HN 0.428 nan 8.210 nan 0.000 0.544 561 P HA 0.011 nan 4.420 nan 0.000 0.267 561 P C -0.240 177.347 177.300 0.479 0.000 1.200 561 P CA -0.155 63.158 63.100 0.355 0.000 0.772 561 P CB 0.413 32.318 31.700 0.342 0.000 0.855 562 T N 4.551 119.272 114.554 0.278 0.000 2.870 562 T HA 0.203 4.553 4.350 -0.000 0.000 0.300 562 T C -2.038 172.658 174.700 -0.007 0.000 0.989 562 T CA -0.634 61.561 62.100 0.159 0.000 1.139 562 T CB -0.459 68.450 68.868 0.067 0.000 0.920 562 T HN 0.360 nan 8.240 nan 0.000 0.537 563 P HA 0.042 nan 4.420 nan 0.000 0.266 563 P C 0.211 177.285 177.300 -0.377 0.000 1.186 563 P CA -0.026 62.502 63.100 -0.953 0.000 0.767 563 P CB 0.390 31.411 31.700 -1.131 0.000 0.820 564 A N 3.267 125.933 122.820 -0.257 0.000 2.119 564 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 564 A C 0.860 178.409 177.584 -0.057 0.000 1.152 564 A CA 1.055 53.056 52.037 -0.061 0.000 0.708 564 A CB -0.492 18.535 19.000 0.045 0.000 0.805 564 A HN 0.513 nan 8.150 nan 0.000 0.460 565 I N -0.148 120.340 120.570 -0.136 0.000 2.468 565 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 565 I C 0.141 176.144 176.117 -0.190 0.000 1.039 565 I CA -0.254 60.977 61.300 -0.115 0.000 1.074 565 I CB 2.005 39.960 38.000 -0.076 0.000 1.228 565 I HN 0.116 nan 8.210 nan 0.000 0.436 566 I N 4.918 125.405 120.570 -0.138 0.000 3.790 566 I HA -0.017 4.152 4.170 -0.000 0.000 0.305 566 I C 1.748 177.812 176.117 -0.089 0.000 1.253 566 I CA -0.047 61.174 61.300 -0.132 0.000 1.355 566 I CB -0.147 37.795 38.000 -0.097 0.000 1.137 566 I HN 0.578 nan 8.210 nan 0.000 0.435 567 K N 3.286 123.643 120.400 -0.073 0.000 2.600 567 K HA -0.141 4.179 4.320 -0.000 0.000 0.227 567 K C -0.981 175.590 176.600 -0.049 0.000 0.670 567 K CA 0.696 56.950 56.287 -0.054 0.000 0.847 567 K CB -2.284 30.185 32.500 -0.052 0.000 0.279 567 K HN -0.017 nan 8.250 nan 0.000 1.058 568 P HA -0.139 nan 4.420 nan 0.000 0.229 568 P C -0.544 176.735 177.300 -0.035 0.000 1.150 568 P CA 1.399 64.476 63.100 -0.037 0.000 0.765 568 P CB 0.188 31.865 31.700 -0.039 0.000 0.783 569 K N 0.110 120.481 120.400 -0.048 0.000 2.570 569 K HA 0.267 4.587 4.320 -0.000 0.000 0.256 569 K C -3.102 173.460 176.600 -0.063 0.000 0.939 569 K CA -1.857 54.409 56.287 -0.034 0.000 0.833 569 K CB 2.320 34.806 32.500 -0.023 0.000 1.318 569 K HN -0.280 nan 8.250 nan 0.000 0.433 570 P HA 0.094 nan 4.420 nan 0.000 0.268 570 P C -1.125 176.082 177.300 -0.155 0.000 1.282 570 P CA -0.347 62.643 63.100 -0.184 0.000 0.880 570 P CB 0.393 32.041 31.700 -0.087 0.000 0.971 571 L N 5.205 126.296 121.223 -0.220 0.000 2.362 571 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 571 L C -0.380 176.497 176.870 0.012 0.000 0.998 571 L CA -0.605 54.263 54.840 0.046 0.000 0.820 571 L CB 1.297 43.392 42.059 0.061 0.000 1.270 571 L HN 0.378 nan 8.230 nan 0.000 0.415 572 W N 1.871 123.303 121.300 0.220 0.000 2.509 572 W HA 0.444 5.104 4.660 -0.000 0.000 0.351 572 W C 0.259 176.872 176.519 0.156 0.000 1.107 572 W CA -0.675 56.774 57.345 0.174 0.000 1.264 572 W CB 2.116 31.648 29.460 0.119 0.000 1.312 572 W HN 0.379 nan 8.180 nan 0.000 0.608 573 S N 0.400 116.259 115.700 0.266 0.000 2.554 573 S HA 0.347 4.816 4.470 -0.000 0.000 0.278 573 S C 1.149 175.735 174.600 -0.025 0.000 1.242 573 S CA 0.195 58.387 58.200 -0.014 0.000 1.051 573 S CB 1.268 64.441 63.200 -0.045 0.000 0.986 573 S HN 0.622 nan 8.310 nan 0.000 0.502 574 G N 3.817 112.516 108.800 -0.168 0.000 2.440 574 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 574 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 574 G C 1.307 176.101 174.900 -0.177 0.000 1.154 574 G CA 0.818 45.790 45.100 -0.213 0.000 0.767 574 G HN 0.791 nan 8.290 nan 0.000 0.552 575 K N -0.013 120.298 120.400 -0.148 0.000 2.097 575 K HA -0.092 4.227 4.320 -0.000 0.000 0.206 575 K C 2.705 179.279 176.600 -0.044 0.000 1.049 575 K CA 1.209 57.435 56.287 -0.103 0.000 0.933 575 K CB -0.190 32.260 32.500 -0.083 0.000 0.717 575 K HN 0.387 nan 8.250 nan 0.000 0.442 576 Q N 0.710 120.515 119.800 0.009 0.000 2.014 576 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 576 Q C 2.293 178.334 176.000 0.067 0.000 0.993 576 Q CA 2.061 57.914 55.803 0.083 0.000 0.850 576 Q CB -0.373 28.490 28.738 0.207 0.000 0.916 576 Q HN 0.480 nan 8.270 nan 0.000 0.417 577 I N -1.358 119.236 120.570 0.039 0.000 2.394 577 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 577 I C 2.289 178.382 176.117 -0.039 0.000 1.136 577 I CA 0.711 62.003 61.300 -0.013 0.000 1.425 577 I CB -0.484 37.486 38.000 -0.050 0.000 1.079 577 I HN 0.135 nan 8.210 nan 0.000 0.425 578 L N 1.850 123.033 121.223 -0.066 0.000 2.046 578 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 578 L C 2.528 179.371 176.870 -0.045 0.000 1.077 578 L CA 1.868 56.661 54.840 -0.078 0.000 0.747 578 L CB -0.902 41.086 42.059 -0.118 0.000 0.896 578 L HN 0.191 nan 8.230 nan 0.000 0.432 579 S N -1.109 114.575 115.700 -0.027 0.000 2.488 579 S HA -0.151 4.319 4.470 -0.000 0.000 0.246 579 S C 1.875 176.489 174.600 0.023 0.000 0.992 579 S CA 1.145 59.341 58.200 -0.006 0.000 0.963 579 S CB -0.534 62.673 63.200 0.012 0.000 0.754 579 S HN 0.390 nan 8.310 nan 0.000 0.519 580 V N 1.102 121.036 119.914 0.034 0.000 2.649 580 V HA -0.016 4.104 4.120 -0.000 0.000 0.248 580 V C 2.508 178.640 176.094 0.064 0.000 1.054 580 V CA 1.322 63.670 62.300 0.080 0.000 1.073 580 V CB -0.982 30.892 31.823 0.084 0.000 0.699 580 V HN 0.539 nan 8.190 nan 0.000 0.463 581 A N -0.106 122.726 122.820 0.019 0.000 2.014 581 A HA 0.098 4.417 4.320 -0.000 0.000 0.218 581 A C 1.178 178.761 177.584 -0.001 0.000 1.163 581 A CA 0.614 52.657 52.037 0.009 0.000 0.652 581 A CB -0.400 18.589 19.000 -0.019 0.000 0.808 581 A HN 0.504 nan 8.150 nan 0.000 0.449 582 I N 2.335 122.898 120.570 -0.012 0.000 2.416 582 I HA 0.176 4.346 4.170 -0.000 0.000 0.288 582 I C -1.941 174.170 176.117 -0.009 0.000 1.051 582 I CA -2.070 59.214 61.300 -0.026 0.000 1.375 582 I CB 1.158 39.133 38.000 -0.042 0.000 1.407 582 I HN 0.163 nan 8.210 nan 0.000 0.516 583 P HA 0.089 nan 4.420 nan 0.000 0.274 583 P C -0.961 176.321 177.300 -0.030 0.000 1.246 583 P CA -0.498 62.596 63.100 -0.010 0.000 0.795 583 P CB 0.590 32.283 31.700 -0.011 0.000 1.006 584 N N -0.061 118.626 118.700 -0.021 0.000 2.453 584 N HA 0.195 4.934 4.740 -0.000 0.000 0.253 584 N C 1.452 176.915 175.510 -0.079 0.000 1.252 584 N CA 1.182 54.213 53.050 -0.032 0.000 0.917 584 N CB -0.178 38.303 38.487 -0.009 0.000 1.117 584 N HN 0.807 nan 8.380 nan 0.000 0.442 585 G N 0.193 108.919 108.800 -0.125 0.000 2.141 585 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.242 585 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.242 585 G C -0.182 174.386 174.900 -0.553 0.000 0.982 585 G CA -0.312 44.638 45.100 -0.251 0.000 0.662 585 G HN 0.468 nan 8.290 nan 0.000 0.527 586 I N 2.284 122.581 120.570 -0.456 0.000 2.321 586 I HA 0.471 4.640 4.170 -0.000 0.000 0.291 586 I C 0.071 175.936 176.117 -0.421 0.000 0.998 586 I CA -0.909 60.154 61.300 -0.394 0.000 1.227 586 I CB 0.790 38.689 38.000 -0.168 0.000 1.368 586 I HN 0.079 nan 8.210 nan 0.000 0.466 587 H N 6.295 125.362 119.070 -0.005 0.000 2.622 587 H HA 0.739 5.295 4.556 -0.000 0.000 0.363 587 H C -0.993 174.322 175.328 -0.022 0.000 1.151 587 H CA -1.000 55.040 56.048 -0.014 0.000 1.184 587 H CB 3.065 32.830 29.762 0.006 0.000 1.643 587 H HN 0.388 nan 8.280 nan 0.000 0.531 588 L N 1.698 122.966 121.223 0.074 0.000 2.641 588 L HA 0.267 4.607 4.340 -0.000 0.000 0.261 588 L C -1.470 175.380 176.870 -0.033 0.000 0.926 588 L CA -0.182 54.663 54.840 0.010 0.000 0.917 588 L CB 2.041 44.080 42.059 -0.034 0.000 1.361 588 L HN 0.635 nan 8.230 nan 0.000 0.417 589 Q N 4.550 124.355 119.800 0.009 0.000 2.321 589 Q HA 0.673 5.013 4.340 -0.000 0.000 0.270 589 Q C -1.243 174.800 176.000 0.072 0.000 1.032 589 Q CA -0.750 55.073 55.803 0.032 0.000 0.784 589 Q CB 3.153 32.000 28.738 0.182 0.000 1.264 589 Q HN 0.613 nan 8.270 nan 0.000 0.448 590 R N 2.542 123.028 120.500 -0.022 0.000 2.548 590 R HA 0.483 4.823 4.340 -0.000 0.000 0.280 590 R C -1.879 174.379 176.300 -0.070 0.000 1.061 590 R CA -0.415 55.715 56.100 0.050 0.000 0.915 590 R CB 1.158 31.448 30.300 -0.018 0.000 1.210 590 R HN 0.427 nan 8.270 nan 0.000 0.442 591 F N 2.992 122.967 119.950 0.042 0.000 2.427 591 F HA 0.376 4.903 4.527 -0.000 0.000 0.348 591 F C 0.410 176.231 175.800 0.035 0.000 1.125 591 F CA -0.555 57.482 58.000 0.061 0.000 0.989 591 F CB 1.573 40.607 39.000 0.056 0.000 1.165 591 F HN 0.376 nan 8.300 nan 0.000 0.442 592 D N 1.734 122.211 120.400 0.130 0.000 2.507 592 D HA 0.108 4.748 4.640 -0.000 0.000 0.280 592 D C 1.307 177.659 176.300 0.087 0.000 1.219 592 D CA -0.302 53.747 54.000 0.082 0.000 1.085 592 D CB 0.515 41.338 40.800 0.039 0.000 1.134 592 D HN 0.567 nan 8.370 nan 0.000 0.583 593 E N -0.057 120.173 120.200 0.050 0.000 2.110 593 E HA -0.220 4.130 4.350 -0.000 0.000 0.225 593 E C 0.897 177.527 176.600 0.050 0.000 1.063 593 E CA 1.780 58.203 56.400 0.040 0.000 0.906 593 E CB -0.183 29.530 29.700 0.021 0.000 0.795 593 E HN 0.506 nan 8.360 nan 0.000 0.479 594 G N 0.189 109.017 108.800 0.046 0.000 4.828 594 G HA2 0.175 4.135 3.960 -0.000 0.000 0.294 594 G HA3 0.175 4.135 3.960 -0.000 0.000 0.294 594 G C -0.761 174.171 174.900 0.053 0.000 1.288 594 G CA -0.349 44.779 45.100 0.047 0.000 0.987 594 G HN -0.031 nan 8.290 nan 0.000 0.587 595 T N 1.659 116.272 114.554 0.098 0.000 2.761 595 T HA 0.481 4.830 4.350 -0.000 0.000 0.296 595 T C 0.452 175.250 174.700 0.163 0.000 0.934 595 T CA 0.299 62.446 62.100 0.078 0.000 1.091 595 T CB 1.512 70.409 68.868 0.048 0.000 0.896 595 T HN 0.166 nan 8.240 nan 0.000 0.515 596 T N 2.675 117.242 114.554 0.022 0.000 2.870 596 T HA 0.355 4.705 4.350 -0.000 0.000 0.277 596 T C 1.144 175.802 174.700 -0.070 0.000 1.000 596 T CA -0.839 61.292 62.100 0.052 0.000 0.982 596 T CB 0.710 69.567 68.868 -0.019 0.000 1.249 596 T HN 0.264 nan 8.240 nan 0.000 0.589 597 L N 0.374 121.587 121.223 -0.017 0.000 2.650 597 L HA 0.297 4.637 4.340 -0.000 0.000 0.235 597 L C 1.115 177.781 176.870 -0.341 0.000 1.149 597 L CA 1.114 55.895 54.840 -0.098 0.000 0.887 597 L CB -0.765 41.337 42.059 0.070 0.000 1.021 597 L HN 0.377 nan 8.230 nan 0.000 0.441 598 L N -0.703 120.320 121.223 -0.332 0.000 3.333 598 L HA 0.188 4.528 4.340 -0.000 0.000 0.299 598 L C 0.651 177.324 176.870 -0.329 0.000 1.256 598 L CA -0.283 54.373 54.840 -0.306 0.000 1.037 598 L CB 0.271 42.243 42.059 -0.145 0.000 1.423 598 L HN 0.248 nan 8.230 nan 0.000 0.605 599 S N 0.838 116.263 115.700 -0.458 0.000 3.758 599 S HA -0.122 4.348 4.470 -0.000 0.000 0.202 599 S C -0.874 173.618 174.600 -0.180 0.000 0.376 599 S CA -0.435 57.579 58.200 -0.309 0.000 1.497 599 S CB -0.896 62.072 63.200 -0.388 0.000 1.334 599 S HN 0.332 nan 8.310 nan 0.000 0.326 600 P HA -0.232 nan 4.420 nan 0.000 0.217 600 P C 0.674 177.946 177.300 -0.048 0.000 1.162 600 P CA 1.698 64.757 63.100 -0.067 0.000 0.901 600 P CB -0.059 31.615 31.700 -0.043 0.000 0.793 601 K N -0.475 119.902 120.400 -0.038 0.000 2.591 601 K HA 0.004 4.324 4.320 -0.000 0.000 0.197 601 K C 0.425 177.015 176.600 -0.016 0.000 1.026 601 K CA 0.266 56.541 56.287 -0.019 0.000 1.127 601 K CB -0.706 31.789 32.500 -0.009 0.000 0.871 601 K HN -0.001 nan 8.250 nan 0.000 0.507 602 D N 1.084 121.467 120.400 -0.029 0.000 2.882 602 D HA -0.199 4.441 4.640 -0.000 0.000 0.229 602 D C -0.232 176.086 176.300 0.029 0.000 1.167 602 D CA 0.503 54.504 54.000 0.001 0.000 0.759 602 D CB -1.042 39.761 40.800 0.005 0.000 1.088 602 D HN 0.281 nan 8.370 nan 0.000 0.425 603 N N -0.423 118.284 118.700 0.011 0.000 2.262 603 N HA 0.402 5.142 4.740 -0.000 0.000 0.260 603 N C 1.456 177.003 175.510 0.062 0.000 1.305 603 N CA 1.174 54.237 53.050 0.021 0.000 0.913 603 N CB -0.128 38.361 38.487 0.004 0.000 1.116 603 N HN 0.447 nan 8.380 nan 0.000 0.512 604 G N -0.027 108.787 108.800 0.023 0.000 2.574 604 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.295 604 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.295 604 G C -0.357 174.510 174.900 -0.055 0.000 1.300 604 G CA 0.976 46.064 45.100 -0.020 0.000 0.944 604 G HN 0.729 nan 8.290 nan 0.000 0.551 605 M N -1.514 117.960 119.600 -0.208 0.000 2.323 605 M HA 0.644 5.124 4.480 -0.000 0.000 0.278 605 M C -2.028 173.901 176.300 -0.619 0.000 1.069 605 M CA -0.650 54.442 55.300 -0.348 0.000 0.950 605 M CB 1.716 34.196 32.600 -0.199 0.000 1.879 605 M HN 1.553 nan 8.290 nan 0.000 0.491 606 L N 6.754 127.441 121.223 -0.894 0.000 2.404 606 L HA 0.827 5.167 4.340 -0.000 0.000 0.272 606 L C -2.048 174.566 176.870 -0.426 0.000 0.980 606 L CA -0.298 54.071 54.840 -0.785 0.000 0.836 606 L CB 1.402 42.659 42.059 -1.337 0.000 1.238 606 L HN 0.773 nan 8.230 nan 0.000 0.408 607 I N 6.065 126.504 120.570 -0.218 0.000 2.509 607 I HA 0.524 4.694 4.170 -0.000 0.000 0.293 607 I C -0.751 175.368 176.117 0.004 0.000 1.020 607 I CA -0.581 60.656 61.300 -0.104 0.000 1.088 607 I CB 2.140 40.092 38.000 -0.080 0.000 1.267 607 I HN 0.499 nan 8.210 nan 0.000 0.430 608 I N 4.954 125.555 120.570 0.050 0.000 2.500 608 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 608 I C -0.573 175.658 176.117 0.190 0.000 1.063 608 I CA -0.279 61.121 61.300 0.167 0.000 1.062 608 I CB 1.736 39.776 38.000 0.068 0.000 1.223 608 I HN 0.631 nan 8.210 nan 0.000 0.435 609 D N 5.414 126.023 120.400 0.347 0.000 2.723 609 D HA -0.175 4.465 4.640 -0.000 0.000 0.236 609 D C 0.953 177.277 176.300 0.041 0.000 1.138 609 D CA 1.690 55.789 54.000 0.165 0.000 0.676 609 D CB -0.705 40.195 40.800 0.165 0.000 1.069 609 D HN 1.150 nan 8.370 nan 0.000 0.430 610 G N 0.094 108.888 108.800 -0.011 0.000 2.246 610 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 610 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 610 G C -0.199 174.703 174.900 0.003 0.000 1.055 610 G CA 0.531 45.619 45.100 -0.021 0.000 0.851 610 G HN 0.467 nan 8.290 nan 0.000 0.500 611 Q N -0.475 119.331 119.800 0.010 0.000 2.295 611 Q HA 0.356 4.696 4.340 -0.000 0.000 0.259 611 Q C 0.322 176.313 176.000 -0.016 0.000 0.966 611 Q CA -0.716 55.094 55.803 0.011 0.000 0.763 611 Q CB 1.929 30.688 28.738 0.036 0.000 1.283 611 Q HN 0.789 nan 8.270 nan 0.000 0.445 612 I N 2.164 122.709 120.570 -0.040 0.000 2.648 612 I HA 0.097 4.267 4.170 -0.000 0.000 0.284 612 I C 0.035 176.114 176.117 -0.064 0.000 1.153 612 I CA 0.301 61.551 61.300 -0.083 0.000 1.426 612 I CB 0.561 38.503 38.000 -0.097 0.000 1.381 612 I HN 0.740 nan 8.210 nan 0.000 0.571 613 I N 6.811 127.312 120.570 -0.115 0.000 3.526 613 I HA 0.193 4.363 4.170 -0.000 0.000 0.294 613 I C -0.352 175.815 176.117 0.083 0.000 1.229 613 I CA 0.183 61.465 61.300 -0.030 0.000 1.408 613 I CB 0.260 38.245 38.000 -0.025 0.000 1.127 613 I HN 0.704 nan 8.210 nan 0.000 0.439 614 F N -0.329 119.586 119.950 -0.058 0.000 2.746 614 F HA 0.666 5.193 4.527 -0.000 0.000 0.311 614 F C -0.635 175.107 175.800 -0.096 0.000 1.135 614 F CA -0.949 57.007 58.000 -0.074 0.000 0.954 614 F CB 0.250 39.207 39.000 -0.071 0.000 1.276 614 F HN -0.056 nan 8.300 nan 0.000 0.440 615 G N 1.209 110.152 108.800 0.238 0.000 2.906 615 G HA2 0.335 4.295 3.960 -0.000 0.000 0.686 615 G HA3 0.335 4.295 3.960 -0.000 0.000 0.686 615 G C -1.433 173.463 174.900 -0.006 0.000 1.170 615 G CA -0.657 44.509 45.100 0.109 0.000 0.775 615 G HN 1.368 nan 8.290 nan 0.000 0.630 616 V N 1.627 121.532 119.914 -0.015 0.000 2.740 616 V HA 0.348 4.468 4.120 -0.000 0.000 0.303 616 V C 1.221 177.274 176.094 -0.068 0.000 1.054 616 V CA -0.430 61.840 62.300 -0.050 0.000 1.106 616 V CB 1.558 33.356 31.823 -0.040 0.000 0.957 616 V HN 0.876 nan 8.190 nan 0.000 0.486 617 V N 5.371 125.230 119.914 -0.092 0.000 2.348 617 V HA 0.415 4.534 4.120 -0.000 0.000 0.270 617 V C 0.147 176.188 176.094 -0.088 0.000 1.037 617 V CA -0.190 62.053 62.300 -0.096 0.000 0.872 617 V CB 0.613 32.368 31.823 -0.115 0.000 1.002 617 V HN 1.166 nan 8.190 nan 0.000 0.464 618 E N 3.591 123.749 120.200 -0.070 0.000 2.489 618 E HA 0.412 4.762 4.350 -0.000 0.000 0.201 618 E C 0.937 177.507 176.600 -0.049 0.000 0.752 618 E CA -0.835 55.529 56.400 -0.059 0.000 0.948 618 E CB 0.474 30.146 29.700 -0.046 0.000 1.871 618 E HN 0.048 nan 8.360 nan 0.000 0.383 619 K N 0.003 120.382 120.400 -0.034 0.000 2.211 619 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 619 K C 1.385 177.973 176.600 -0.020 0.000 1.047 619 K CA 1.326 57.599 56.287 -0.023 0.000 0.935 619 K CB -0.058 32.436 32.500 -0.010 0.000 0.728 619 K HN 0.284 nan 8.250 nan 0.000 0.452 620 K N -0.821 119.565 120.400 -0.023 0.000 2.432 620 K HA -0.025 4.295 4.320 -0.000 0.000 0.196 620 K C 1.235 177.816 176.600 -0.031 0.000 1.038 620 K CA 1.053 57.327 56.287 -0.021 0.000 0.986 620 K CB 0.379 32.867 32.500 -0.019 0.000 0.782 620 K HN 0.136 nan 8.250 nan 0.000 0.485 621 T N -0.777 113.750 114.554 -0.045 0.000 3.026 621 T HA 0.038 4.388 4.350 -0.000 0.000 0.245 621 T C 1.305 175.964 174.700 -0.069 0.000 1.004 621 T CA 0.094 62.159 62.100 -0.059 0.000 1.069 621 T CB 0.567 69.388 68.868 -0.077 0.000 1.005 621 T HN -0.097 nan 8.240 nan 0.000 0.472 622 V N 1.496 121.365 119.914 -0.075 0.000 3.427 622 V HA 0.472 4.591 4.120 -0.000 0.000 0.305 622 V C 1.153 177.197 176.094 -0.083 0.000 1.412 622 V CA 0.066 62.304 62.300 -0.103 0.000 1.086 622 V CB -0.021 31.732 31.823 -0.117 0.000 0.964 622 V HN 0.466 nan 8.190 nan 0.000 0.439 623 G N 0.071 108.847 108.800 -0.041 0.000 2.510 623 G HA2 0.244 4.204 3.960 -0.000 0.000 0.280 623 G HA3 0.244 4.204 3.960 -0.000 0.000 0.280 623 G C 0.789 175.698 174.900 0.015 0.000 1.386 623 G CA 0.461 45.557 45.100 -0.006 0.000 1.047 623 G HN 0.515 nan 8.290 nan 0.000 0.527 624 S N -0.759 114.968 115.700 0.045 0.000 2.768 624 S HA 0.240 4.710 4.470 -0.000 0.000 0.246 624 S C 0.911 175.549 174.600 0.064 0.000 1.006 624 S CA 0.181 58.420 58.200 0.064 0.000 1.075 624 S CB -0.980 62.263 63.200 0.072 0.000 0.786 624 S HN 0.832 nan 8.310 nan 0.000 0.468 625 S N 0.945 116.676 115.700 0.051 0.000 2.614 625 S HA 0.300 4.769 4.470 -0.000 0.000 0.265 625 S C 1.096 175.751 174.600 0.093 0.000 1.303 625 S CA -0.758 57.474 58.200 0.053 0.000 1.000 625 S CB 0.317 63.531 63.200 0.023 0.000 0.935 625 S HN 0.471 nan 8.310 nan 0.000 0.551 626 N N 1.728 120.475 118.700 0.078 0.000 2.003 626 N HA -0.148 4.592 4.740 -0.000 0.000 0.198 626 N C 1.782 177.305 175.510 0.021 0.000 1.073 626 N CA 1.876 54.981 53.050 0.092 0.000 0.875 626 N CB -0.994 37.495 38.487 0.003 0.000 1.074 626 N HN 0.862 nan 8.380 nan 0.000 0.435 627 G N 0.514 109.277 108.800 -0.060 0.000 2.744 627 G HA2 0.105 4.065 3.960 -0.000 0.000 0.211 627 G HA3 0.105 4.065 3.960 -0.000 0.000 0.211 627 G C 0.780 175.661 174.900 -0.032 0.000 1.143 627 G CA 0.383 45.415 45.100 -0.113 0.000 0.788 627 G HN 0.465 nan 8.290 nan 0.000 0.534 628 G N 0.051 108.859 108.800 0.015 0.000 3.014 628 G HA2 0.027 3.987 3.960 -0.000 0.000 0.239 628 G HA3 0.027 3.987 3.960 -0.000 0.000 0.239 628 G C 1.067 175.976 174.900 0.014 0.000 1.249 628 G CA 0.049 45.156 45.100 0.012 0.000 0.867 628 G HN 0.305 nan 8.290 nan 0.000 0.607 629 L N 0.540 121.745 121.223 -0.031 0.000 2.131 629 L HA -0.031 4.308 4.340 -0.000 0.000 0.210 629 L C 2.570 179.409 176.870 -0.053 0.000 1.092 629 L CA 1.470 56.278 54.840 -0.052 0.000 0.759 629 L CB -0.272 41.732 42.059 -0.093 0.000 0.903 629 L HN 0.600 nan 8.230 nan 0.000 0.435 630 I N -1.656 118.877 120.570 -0.062 0.000 2.406 630 I HA -0.222 3.948 4.170 -0.000 0.000 0.249 630 I C 2.419 178.553 176.117 0.029 0.000 1.122 630 I CA 0.735 61.991 61.300 -0.074 0.000 1.431 630 I CB -0.500 37.431 38.000 -0.115 0.000 1.087 630 I HN 0.385 nan 8.210 nan 0.000 0.424 631 H N 0.892 119.950 119.070 -0.020 0.000 2.326 631 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 631 H C 2.310 177.634 175.328 -0.008 0.000 1.081 631 H CA 1.754 57.799 56.048 -0.005 0.000 1.334 631 H CB -0.059 29.703 29.762 -0.001 0.000 1.385 631 H HN 0.058 nan 8.280 nan 0.000 0.504 632 V N 0.361 120.377 119.914 0.170 0.000 2.255 632 V HA -0.247 3.872 4.120 -0.000 0.000 0.247 632 V C 2.971 179.097 176.094 0.055 0.000 1.051 632 V CA 1.661 64.013 62.300 0.086 0.000 1.018 632 V CB -0.744 31.093 31.823 0.024 0.000 0.641 632 V HN 0.224 nan 8.190 nan 0.000 0.445 633 V N -0.231 119.696 119.914 0.020 0.000 2.332 633 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 633 V C 2.526 178.635 176.094 0.024 0.000 1.055 633 V CA 2.602 64.904 62.300 0.003 0.000 1.038 633 V CB -1.231 30.580 31.823 -0.021 0.000 0.651 633 V HN 0.635 nan 8.190 nan 0.000 0.450 634 T N -0.108 114.467 114.554 0.034 0.000 2.607 634 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 634 T C 2.135 176.856 174.700 0.035 0.000 1.049 634 T CA 1.573 63.688 62.100 0.025 0.000 1.162 634 T CB -0.306 68.554 68.868 -0.013 0.000 0.863 634 T HN 0.276 nan 8.240 nan 0.000 0.424 635 R N 0.774 121.313 120.500 0.065 0.000 2.105 635 R HA -0.011 4.328 4.340 -0.000 0.000 0.239 635 R C 2.381 178.720 176.300 0.064 0.000 1.135 635 R CA 1.349 57.498 56.100 0.081 0.000 0.967 635 R CB -0.543 29.835 30.300 0.130 0.000 0.861 635 R HN 0.457 nan 8.270 nan 0.000 0.442 636 E N 0.101 120.332 120.200 0.052 0.000 2.122 636 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 636 E C 1.296 177.914 176.600 0.030 0.000 0.977 636 E CA 0.911 57.335 56.400 0.040 0.000 0.820 636 E CB 0.336 30.048 29.700 0.020 0.000 0.770 636 E HN -0.040 nan 8.360 nan 0.000 0.462 637 K N -0.962 119.451 120.400 0.022 0.000 2.380 637 K HA 0.315 4.635 4.320 -0.000 0.000 0.198 637 K C 0.203 176.817 176.600 0.023 0.000 1.070 637 K CA 0.681 56.979 56.287 0.018 0.000 1.040 637 K CB 1.460 33.964 32.500 0.007 0.000 0.903 637 K HN 0.175 nan 8.250 nan 0.000 0.549 638 G N 2.188 111.004 108.800 0.027 0.000 2.629 638 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.686 638 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.686 638 G C -2.266 172.646 174.900 0.021 0.000 1.232 638 G CA -0.431 44.684 45.100 0.025 0.000 0.803 638 G HN -0.173 nan 8.290 nan 0.000 0.638 639 P HA -0.181 nan 4.420 nan 0.000 0.215 639 P C 1.523 178.830 177.300 0.012 0.000 1.153 639 P CA 1.677 64.780 63.100 0.005 0.000 0.853 639 P CB 0.122 31.813 31.700 -0.015 0.000 0.788 640 Q N -0.340 119.466 119.800 0.009 0.000 2.020 640 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 640 Q C 2.413 178.431 176.000 0.030 0.000 0.982 640 Q CA 1.382 57.192 55.803 0.011 0.000 0.838 640 Q CB -0.598 28.143 28.738 0.006 0.000 0.899 640 Q HN 0.067 nan 8.270 nan 0.000 0.423 641 V N 0.317 120.249 119.914 0.029 0.000 2.332 641 V HA -0.327 3.792 4.120 -0.000 0.000 0.248 641 V C 2.400 178.527 176.094 0.054 0.000 1.055 641 V CA 1.690 64.011 62.300 0.035 0.000 1.038 641 V CB -0.521 31.317 31.823 0.024 0.000 0.651 641 V HN 0.596 nan 8.190 nan 0.000 0.450 642 C N 0.205 119.544 119.300 0.065 0.000 2.429 642 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 642 C C 3.082 178.210 174.990 0.229 0.000 1.262 642 C CA 0.778 59.860 59.018 0.108 0.000 1.733 642 C CB -1.246 26.559 27.740 0.110 0.000 2.010 642 C HN 0.591 nan 8.230 nan 0.000 0.483 643 A N 0.200 123.124 122.820 0.174 0.000 1.940 643 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 643 A C 2.116 179.814 177.584 0.191 0.000 1.176 643 A CA 2.349 54.482 52.037 0.159 0.000 0.631 643 A CB -0.656 18.356 19.000 0.019 0.000 0.814 643 A HN 0.634 nan 8.150 nan 0.000 0.446 644 K N -0.573 119.903 120.400 0.127 0.000 2.097 644 K HA -0.048 4.271 4.320 -0.000 0.000 0.205 644 K C 1.697 178.371 176.600 0.124 0.000 1.050 644 K CA 1.083 57.433 56.287 0.105 0.000 0.938 644 K CB -0.535 32.005 32.500 0.066 0.000 0.718 644 K HN 0.323 nan 8.250 nan 0.000 0.442 645 L N 0.181 121.473 121.223 0.115 0.000 1.997 645 L HA -0.161 4.178 4.340 -0.000 0.000 0.216 645 L C 1.783 178.679 176.870 0.044 0.000 1.074 645 L CA 1.857 56.718 54.840 0.037 0.000 0.763 645 L CB -0.771 41.260 42.059 -0.047 0.000 0.890 645 L HN 0.191 nan 8.230 nan 0.000 0.434 646 F N -0.072 119.878 119.950 0.001 0.000 2.087 646 F HA -0.210 4.316 4.527 -0.000 0.000 0.299 646 F C 2.449 178.254 175.800 0.008 0.000 1.100 646 F CA 1.826 59.829 58.000 0.004 0.000 1.226 646 F CB -1.394 37.612 39.000 0.010 0.000 0.983 646 F HN 0.232 nan 8.300 nan 0.000 0.479 647 G N -0.684 108.248 108.800 0.220 0.000 2.394 647 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 647 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 647 G C 1.633 176.585 174.900 0.087 0.000 1.165 647 G CA 0.768 45.946 45.100 0.130 0.000 0.784 647 G HN 0.228 nan 8.290 nan 0.000 0.535 648 N N 0.841 119.586 118.700 0.075 0.000 2.043 648 N HA -0.065 4.675 4.740 -0.000 0.000 0.193 648 N C 2.255 177.776 175.510 0.019 0.000 1.037 648 N CA 0.935 54.015 53.050 0.050 0.000 0.851 648 N CB -0.330 38.182 38.487 0.041 0.000 1.027 648 N HN 0.330 nan 8.380 nan 0.000 0.422 649 I N 1.339 121.907 120.570 -0.003 0.000 2.142 649 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 649 I C 2.461 178.564 176.117 -0.024 0.000 1.078 649 I CA 1.139 62.417 61.300 -0.035 0.000 1.343 649 I CB -0.287 37.667 38.000 -0.078 0.000 1.046 649 I HN 0.164 nan 8.210 nan 0.000 0.405 650 Q N 0.847 120.649 119.800 0.004 0.000 2.014 650 Q HA -0.275 4.065 4.340 -0.000 0.000 0.207 650 Q C 2.252 178.222 176.000 -0.049 0.000 0.993 650 Q CA 2.041 57.844 55.803 -0.000 0.000 0.850 650 Q CB -0.089 28.673 28.738 0.040 0.000 0.916 650 Q HN 0.356 nan 8.270 nan 0.000 0.417 651 K N -0.378 119.990 120.400 -0.054 0.000 2.113 651 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 651 K C 2.039 178.511 176.600 -0.214 0.000 1.047 651 K CA 1.573 57.760 56.287 -0.168 0.000 0.928 651 K CB -0.184 32.314 32.500 -0.004 0.000 0.716 651 K HN 0.091 nan 8.250 nan 0.000 0.446 652 V N 0.762 120.630 119.914 -0.077 0.000 2.255 652 V HA -0.209 3.911 4.120 -0.000 0.000 0.243 652 V C 2.322 178.443 176.094 0.044 0.000 1.038 652 V CA 1.479 63.761 62.300 -0.031 0.000 1.008 652 V CB -0.347 31.461 31.823 -0.025 0.000 0.645 652 V HN 0.053 nan 8.190 nan 0.000 0.449 653 V N 0.815 120.736 119.914 0.012 0.000 2.287 653 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 653 V C 2.361 178.516 176.094 0.102 0.000 1.053 653 V CA 2.187 64.523 62.300 0.060 0.000 1.027 653 V CB -0.977 30.838 31.823 -0.013 0.000 0.646 653 V HN 0.559 nan 8.190 nan 0.000 0.447 654 N N -0.281 118.416 118.700 -0.005 0.000 2.104 654 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 654 N C 1.732 177.183 175.510 -0.097 0.000 1.024 654 N CA 1.838 54.852 53.050 -0.060 0.000 0.853 654 N CB -0.477 37.935 38.487 -0.125 0.000 1.008 654 N HN 0.555 nan 8.380 nan 0.000 0.424 655 F N 0.159 119.942 119.950 -0.278 0.000 2.075 655 F HA -0.170 4.356 4.527 -0.000 0.000 0.297 655 F C 2.400 178.177 175.800 -0.039 0.000 1.113 655 F CA 1.413 59.242 58.000 -0.285 0.000 1.218 655 F CB -0.657 38.074 39.000 -0.448 0.000 0.984 655 F HN 0.097 nan 8.300 nan 0.000 0.472 656 W N 0.554 121.888 121.300 0.057 0.000 2.350 656 W HA -0.226 4.434 4.660 -0.000 0.000 0.289 656 W C 1.979 178.446 176.519 -0.087 0.000 1.215 656 W CA 1.709 59.068 57.345 0.024 0.000 1.236 656 W CB -0.331 29.170 29.460 0.069 0.000 1.130 656 W HN 0.178 nan 8.180 nan 0.000 0.541 657 L N 0.315 121.608 121.223 0.117 0.000 2.240 657 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 657 L C 2.144 178.869 176.870 -0.242 0.000 1.106 657 L CA 1.413 56.245 54.840 -0.014 0.000 0.793 657 L CB -1.019 41.092 42.059 0.087 0.000 0.927 657 L HN 0.124 nan 8.230 nan 0.000 0.446 658 L N -1.174 119.815 121.223 -0.389 0.000 2.141 658 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 658 L C 2.073 178.529 176.870 -0.690 0.000 1.094 658 L CA 1.798 56.307 54.840 -0.551 0.000 0.763 658 L CB -0.789 40.824 42.059 -0.743 0.000 0.908 658 L HN 0.388 nan 8.230 nan 0.000 0.437 659 H N -2.050 116.738 119.070 -0.469 0.000 2.575 659 H HA 0.171 4.726 4.556 -0.000 0.000 0.267 659 H C 1.407 176.458 175.328 -0.463 0.000 0.966 659 H CA 0.707 56.486 56.048 -0.448 0.000 1.165 659 H CB 0.163 29.617 29.762 -0.513 0.000 1.433 659 H HN 0.487 nan 8.280 nan 0.000 0.544 660 N N 0.229 118.620 118.700 -0.516 0.000 2.511 660 N HA 0.120 4.860 4.740 -0.000 0.000 0.190 660 N C 0.401 175.756 175.510 -0.259 0.000 1.037 660 N CA 0.965 53.691 53.050 -0.541 0.000 0.895 660 N CB 1.025 38.886 38.487 -1.044 0.000 1.149 660 N HN 0.312 nan 8.380 nan 0.000 0.437 661 G N -0.514 108.167 108.800 -0.199 0.000 2.712 661 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.686 661 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.686 661 G C -1.187 173.769 174.900 0.093 0.000 1.321 661 G CA -0.219 44.842 45.100 -0.065 0.000 0.813 661 G HN 0.397 nan 8.290 nan 0.000 0.599 662 F N 0.859 120.775 119.950 -0.057 0.000 2.650 662 F HA 0.767 5.294 4.527 -0.000 0.000 0.310 662 F C -0.140 175.650 175.800 -0.018 0.000 1.112 662 F CA 0.342 58.331 58.000 -0.018 0.000 0.986 662 F CB 1.891 40.897 39.000 0.009 0.000 1.285 662 F HN 1.434 nan 8.300 nan 0.000 0.440 663 S N 2.442 117.604 115.700 -0.897 0.000 2.752 663 S HA 0.914 5.384 4.470 -0.000 0.000 0.284 663 S C -1.742 172.467 174.600 -0.652 0.000 1.189 663 S CA -0.279 57.593 58.200 -0.547 0.000 0.835 663 S CB 1.951 64.991 63.200 -0.265 0.000 1.192 663 S HN 0.812 nan 8.310 nan 0.000 0.506 664 T N 0.742 115.111 114.554 -0.309 0.000 3.291 664 T HA 0.676 5.026 4.350 -0.000 0.000 0.344 664 T C -0.260 174.376 174.700 -0.106 0.000 1.293 664 T CA -0.222 61.758 62.100 -0.200 0.000 1.108 664 T CB 1.213 70.013 68.868 -0.114 0.000 1.231 664 T HN 1.045 nan 8.240 nan 0.000 0.474 665 G N 0.608 109.360 108.800 -0.080 0.000 3.086 665 G HA2 0.653 4.613 3.960 -0.000 0.000 0.282 665 G HA3 0.653 4.613 3.960 -0.000 0.000 0.282 665 G C 0.856 175.739 174.900 -0.028 0.000 1.343 665 G CA -0.976 44.094 45.100 -0.050 0.000 0.895 665 G HN 0.704 nan 8.290 nan 0.000 0.557 666 I N 0.765 121.323 120.570 -0.019 0.000 2.361 666 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 666 I C 2.886 179.000 176.117 -0.005 0.000 1.133 666 I CA 1.310 62.606 61.300 -0.007 0.000 1.413 666 I CB -0.574 37.423 38.000 -0.004 0.000 1.073 666 I HN 0.565 nan 8.210 nan 0.000 0.424 667 G N 1.373 110.166 108.800 -0.013 0.000 2.505 667 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 667 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 667 G C 1.260 176.158 174.900 -0.003 0.000 1.145 667 G CA 1.171 46.266 45.100 -0.009 0.000 0.761 667 G HN 0.375 nan 8.290 nan 0.000 0.571 668 D N 0.001 120.396 120.400 -0.008 0.000 2.309 668 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 668 D C 2.503 178.813 176.300 0.017 0.000 0.968 668 D CA 1.559 55.561 54.000 0.004 0.000 0.882 668 D CB -0.097 40.701 40.800 -0.003 0.000 0.918 668 D HN 0.547 nan 8.370 nan 0.000 0.503 669 T N -1.802 112.761 114.554 0.015 0.000 3.105 669 T HA 0.217 4.566 4.350 -0.000 0.000 0.253 669 T C 0.807 175.520 174.700 0.021 0.000 1.047 669 T CA -0.319 61.795 62.100 0.023 0.000 0.944 669 T CB -0.106 68.778 68.868 0.028 0.000 1.016 669 T HN -0.052 nan 8.240 nan 0.000 0.544 670 I N 2.274 122.854 120.570 0.017 0.000 2.331 670 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 670 I C 0.412 176.540 176.117 0.019 0.000 0.998 670 I CA -1.172 60.137 61.300 0.016 0.000 1.267 670 I CB 1.397 39.404 38.000 0.012 0.000 1.386 670 I HN 0.185 nan 8.210 nan 0.000 0.476 671 A N 5.203 128.034 122.820 0.019 0.000 2.312 671 A HA 0.297 4.616 4.320 -0.000 0.000 0.328 671 A C -0.142 177.455 177.584 0.021 0.000 1.158 671 A CA -0.634 51.417 52.037 0.023 0.000 0.821 671 A CB 0.564 19.578 19.000 0.024 0.000 1.170 671 A HN 0.729 nan 8.150 nan 0.000 0.490 672 D N 1.084 121.497 120.400 0.023 0.000 2.667 672 D HA -0.060 4.580 4.640 -0.000 0.000 0.226 672 D C 1.640 177.951 176.300 0.018 0.000 1.137 672 D CA 1.542 55.554 54.000 0.020 0.000 0.855 672 D CB 0.790 41.603 40.800 0.022 0.000 1.194 672 D HN 0.677 nan 8.370 nan 0.000 0.492 673 G N 4.351 113.160 108.800 0.016 0.000 2.513 673 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 673 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 673 G C -0.672 174.238 174.900 0.016 0.000 1.160 673 G CA 0.611 45.719 45.100 0.015 0.000 0.767 673 G HN 0.503 nan 8.290 nan 0.000 0.571 674 P HA -0.044 nan 4.420 nan 0.000 0.216 674 P C 1.771 179.084 177.300 0.020 0.000 1.153 674 P CA 1.655 64.766 63.100 0.017 0.000 0.844 674 P CB -0.338 31.372 31.700 0.017 0.000 0.787 675 T N 0.328 114.895 114.554 0.023 0.000 2.720 675 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 675 T C 1.914 176.629 174.700 0.026 0.000 1.037 675 T CA 1.374 63.490 62.100 0.027 0.000 1.144 675 T CB -0.567 68.319 68.868 0.030 0.000 0.864 675 T HN -0.038 nan 8.240 nan 0.000 0.444 676 M N 0.563 120.176 119.600 0.023 0.000 2.279 676 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 676 M C 2.207 178.521 176.300 0.023 0.000 1.062 676 M CA 1.130 56.443 55.300 0.022 0.000 1.099 676 M CB -0.917 31.694 32.600 0.018 0.000 1.394 676 M HN 0.161 nan 8.290 nan 0.000 0.426 677 R N -0.174 120.339 120.500 0.022 0.000 2.100 677 R HA -0.084 4.256 4.340 -0.000 0.000 0.220 677 R C 2.098 178.412 176.300 0.023 0.000 1.091 677 R CA 1.095 57.208 56.100 0.021 0.000 0.986 677 R CB 0.053 30.364 30.300 0.018 0.000 0.888 677 R HN 0.388 nan 8.270 nan 0.000 0.444 678 E N 0.297 120.512 120.200 0.024 0.000 2.077 678 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 678 E C 1.830 178.449 176.600 0.032 0.000 0.989 678 E CA 1.198 57.614 56.400 0.026 0.000 0.800 678 E CB 0.023 29.739 29.700 0.027 0.000 0.746 678 E HN 0.339 nan 8.360 nan 0.000 0.452 679 I N 0.358 120.949 120.570 0.036 0.000 2.202 679 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 679 I C 2.358 178.503 176.117 0.046 0.000 1.091 679 I CA 1.221 62.547 61.300 0.043 0.000 1.368 679 I CB -0.234 37.788 38.000 0.038 0.000 1.058 679 I HN 0.172 nan 8.210 nan 0.000 0.410 680 T N 0.337 114.915 114.554 0.039 0.000 2.720 680 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 680 T C 1.657 176.382 174.700 0.042 0.000 1.037 680 T CA 1.486 63.611 62.100 0.043 0.000 1.144 680 T CB -0.255 68.634 68.868 0.034 0.000 0.864 680 T HN 0.444 nan 8.240 nan 0.000 0.444 681 E N 0.428 120.646 120.200 0.031 0.000 2.152 681 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 681 E C 2.362 178.974 176.600 0.020 0.000 0.983 681 E CA 1.078 57.491 56.400 0.022 0.000 0.818 681 E CB -0.245 29.465 29.700 0.017 0.000 0.758 681 E HN 0.328 nan 8.360 nan 0.000 0.467 682 T N 1.237 115.808 114.554 0.029 0.000 2.833 682 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 682 T C 1.872 176.591 174.700 0.031 0.000 1.054 682 T CA 0.877 62.995 62.100 0.030 0.000 1.135 682 T CB -0.062 68.834 68.868 0.047 0.000 0.869 682 T HN 0.121 nan 8.240 nan 0.000 0.466 683 I N 0.766 121.368 120.570 0.053 0.000 2.339 683 I HA 0.020 4.190 4.170 -0.000 0.000 0.245 683 I C 2.840 178.964 176.117 0.013 0.000 1.096 683 I CA 0.626 61.965 61.300 0.064 0.000 1.408 683 I CB -0.391 37.704 38.000 0.158 0.000 1.092 683 I HN 0.126 nan 8.210 nan 0.000 0.423 684 A N 0.349 123.183 122.820 0.024 0.000 2.032 684 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 684 A C 2.250 179.820 177.584 -0.024 0.000 1.165 684 A CA 2.061 54.103 52.037 0.008 0.000 0.645 684 A CB -0.635 18.375 19.000 0.016 0.000 0.807 684 A HN 0.532 nan 8.150 nan 0.000 0.453 685 E N -0.473 119.707 120.200 -0.034 0.000 2.112 685 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 685 E C 2.049 178.578 176.600 -0.119 0.000 0.979 685 E CA 0.706 57.067 56.400 -0.065 0.000 0.814 685 E CB -0.192 29.476 29.700 -0.053 0.000 0.762 685 E HN 0.553 nan 8.360 nan 0.000 0.460 686 A N 1.144 123.893 122.820 -0.119 0.000 2.014 686 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 686 A C 1.874 179.346 177.584 -0.186 0.000 1.163 686 A CA 0.995 52.924 52.037 -0.180 0.000 0.652 686 A CB -0.178 18.726 19.000 -0.161 0.000 0.808 686 A HN 0.087 nan 8.150 nan 0.000 0.449 687 K N -0.360 119.961 120.400 -0.131 0.000 2.486 687 K HA -0.004 4.316 4.320 -0.000 0.000 0.194 687 K C 1.496 178.055 176.600 -0.068 0.000 1.033 687 K CA 0.789 57.022 56.287 -0.090 0.000 1.004 687 K CB 0.059 32.534 32.500 -0.042 0.000 0.798 687 K HN 0.451 nan 8.250 nan 0.000 0.495 688 K N 0.740 121.081 120.400 -0.099 0.000 2.078 688 K HA 0.023 4.342 4.320 -0.000 0.000 0.203 688 K C 1.788 178.304 176.600 -0.141 0.000 1.043 688 K CA 0.624 56.859 56.287 -0.087 0.000 0.960 688 K CB 0.143 32.593 32.500 -0.084 0.000 0.761 688 K HN -0.056 nan 8.250 nan 0.000 0.448 689 K N 0.841 121.074 120.400 -0.277 0.000 2.074 689 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 689 K C 2.024 178.417 176.600 -0.346 0.000 1.048 689 K CA 1.426 57.399 56.287 -0.524 0.000 0.926 689 K CB -0.184 31.647 32.500 -1.115 0.000 0.713 689 K HN -0.051 nan 8.250 nan 0.000 0.444 690 V N 1.302 121.122 119.914 -0.157 0.000 2.453 690 V HA -0.183 3.936 4.120 -0.000 0.000 0.247 690 V C 2.076 178.233 176.094 0.106 0.000 1.048 690 V CA 1.085 63.438 62.300 0.088 0.000 1.049 690 V CB -0.272 31.585 31.823 0.057 0.000 0.672 690 V HN 0.244 nan 8.190 nan 0.000 0.457 691 L N 0.352 121.604 121.223 0.048 0.000 2.141 691 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 691 L C 1.940 178.860 176.870 0.084 0.000 1.094 691 L CA 1.930 56.816 54.840 0.077 0.000 0.763 691 L CB -0.754 41.330 42.059 0.042 0.000 0.908 691 L HN 0.314 nan 8.230 nan 0.000 0.437 692 D N -1.107 119.326 120.400 0.055 0.000 2.194 692 D HA -0.064 4.575 4.640 -0.000 0.000 0.204 692 D C 2.251 178.621 176.300 0.117 0.000 0.964 692 D CA 1.257 55.293 54.000 0.060 0.000 0.846 692 D CB -0.067 40.742 40.800 0.016 0.000 0.962 692 D HN 0.274 nan 8.370 nan 0.000 0.490 693 V N 1.186 121.208 119.914 0.179 0.000 2.759 693 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 693 V C 2.351 178.648 176.094 0.338 0.000 1.080 693 V CA 1.495 63.950 62.300 0.259 0.000 1.101 693 V CB -0.685 31.321 31.823 0.305 0.000 0.698 693 V HN 0.195 nan 8.190 nan 0.000 0.477 694 T N -0.326 114.418 114.554 0.317 0.000 2.698 694 T HA -0.132 4.218 4.350 -0.000 0.000 0.260 694 T C 1.966 176.716 174.700 0.083 0.000 1.044 694 T CA 1.208 63.453 62.100 0.241 0.000 1.149 694 T CB -0.169 68.830 68.868 0.219 0.000 0.864 694 T HN 0.417 nan 8.240 nan 0.000 0.419 695 K N 0.961 121.410 120.400 0.082 0.000 2.113 695 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 695 K C 2.386 179.008 176.600 0.037 0.000 1.047 695 K CA 1.344 57.659 56.287 0.046 0.000 0.928 695 K CB -0.124 32.404 32.500 0.046 0.000 0.716 695 K HN 0.435 nan 8.250 nan 0.000 0.446 696 E N 0.297 120.535 120.200 0.062 0.000 2.012 696 E HA -0.203 4.146 4.350 -0.000 0.000 0.197 696 E C 2.037 178.656 176.600 0.031 0.000 1.007 696 E CA 1.197 57.630 56.400 0.056 0.000 0.816 696 E CB -0.109 29.644 29.700 0.088 0.000 0.762 696 E HN 0.339 nan 8.360 nan 0.000 0.451 697 A N 0.748 123.589 122.820 0.035 0.000 2.024 697 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 697 A C 1.917 179.440 177.584 -0.102 0.000 1.164 697 A CA 1.478 53.488 52.037 -0.044 0.000 0.643 697 A CB -0.436 18.490 19.000 -0.124 0.000 0.806 697 A HN 0.306 nan 8.150 nan 0.000 0.451 698 Q N -1.154 118.596 119.800 -0.084 0.000 2.378 698 Q HA 0.137 4.477 4.340 -0.000 0.000 0.205 698 Q C 1.963 177.939 176.000 -0.040 0.000 0.954 698 Q CA 0.768 56.525 55.803 -0.078 0.000 0.901 698 Q CB -0.138 28.569 28.738 -0.052 0.000 0.981 698 Q HN 0.682 nan 8.270 nan 0.000 0.483 699 A N 0.938 123.745 122.820 -0.022 0.000 2.195 699 A HA 0.016 4.335 4.320 -0.000 0.000 0.210 699 A C 0.672 178.249 177.584 -0.012 0.000 1.165 699 A CA 0.431 52.462 52.037 -0.009 0.000 0.806 699 A CB 0.152 19.153 19.000 0.003 0.000 0.847 699 A HN 0.430 nan 8.150 nan 0.000 0.482 700 N N -1.983 116.705 118.700 -0.020 0.000 2.861 700 N HA -0.127 4.612 4.740 -0.000 0.000 0.247 700 N C 0.173 175.681 175.510 -0.004 0.000 1.117 700 N CA 0.912 53.950 53.050 -0.019 0.000 0.703 700 N CB -1.960 36.517 38.487 -0.017 0.000 1.052 700 N HN 0.394 nan 8.380 nan 0.000 0.555 701 L N -0.582 120.644 121.223 0.005 0.000 2.515 701 L HA 0.295 4.635 4.340 -0.000 0.000 0.223 701 L C 1.096 177.980 176.870 0.024 0.000 1.079 701 L CA -0.122 54.727 54.840 0.015 0.000 0.857 701 L CB 0.051 42.123 42.059 0.021 0.000 1.050 701 L HN 0.194 nan 8.230 nan 0.000 0.476 702 L N 0.901 122.142 121.223 0.029 0.000 2.514 702 L HA 0.028 4.367 4.340 -0.000 0.000 0.280 702 L C -0.050 176.837 176.870 0.028 0.000 1.223 702 L CA 0.406 55.272 54.840 0.043 0.000 0.864 702 L CB 0.617 42.715 42.059 0.066 0.000 1.118 702 L HN 0.116 nan 8.230 nan 0.000 0.494 703 T N 2.645 117.217 114.554 0.030 0.000 2.771 703 T HA 0.490 4.840 4.350 -0.000 0.000 0.281 703 T C 0.208 174.921 174.700 0.021 0.000 0.982 703 T CA -0.678 61.435 62.100 0.022 0.000 0.978 703 T CB 1.544 70.425 68.868 0.021 0.000 0.930 703 T HN 0.685 nan 8.240 nan 0.000 0.447 704 A N 3.861 126.690 122.820 0.015 0.000 2.477 704 A HA 0.309 4.628 4.320 -0.000 0.000 0.246 704 A C 0.335 177.930 177.584 0.017 0.000 1.078 704 A CA -0.322 51.721 52.037 0.010 0.000 0.770 704 A CB -0.028 18.970 19.000 -0.003 0.000 1.011 704 A HN 0.806 nan 8.150 nan 0.000 0.494 705 K N 2.117 122.527 120.400 0.016 0.000 2.297 705 K HA 0.158 4.478 4.320 -0.000 0.000 0.286 705 K C -0.049 176.577 176.600 0.043 0.000 1.053 705 K CA -0.311 55.998 56.287 0.035 0.000 0.940 705 K CB 0.482 32.998 32.500 0.026 0.000 1.019 705 K HN 0.857 nan 8.250 nan 0.000 0.475 706 H N 1.631 120.691 119.070 -0.016 0.000 3.212 706 H HA -0.117 4.439 4.556 -0.000 0.000 0.292 706 H C 1.143 176.463 175.328 -0.013 0.000 0.922 706 H CA 2.096 58.133 56.048 -0.019 0.000 1.389 706 H CB 0.084 29.828 29.762 -0.030 0.000 1.321 706 H HN 0.876 nan 8.280 nan 0.000 0.563 707 G N 3.923 112.366 108.800 -0.594 0.000 2.198 707 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 707 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 707 G C -0.064 174.746 174.900 -0.150 0.000 1.042 707 G CA 0.325 45.201 45.100 -0.372 0.000 0.791 707 G HN 0.703 nan 8.290 nan 0.000 0.502 708 M N -0.369 119.161 119.600 -0.118 0.000 2.471 708 M HA 0.293 4.773 4.480 -0.000 0.000 0.284 708 M C 0.011 176.282 176.300 -0.047 0.000 1.203 708 M CA -0.604 54.661 55.300 -0.059 0.000 0.915 708 M CB 2.100 34.681 32.600 -0.032 0.000 1.734 708 M HN 0.101 nan 8.290 nan 0.000 0.485 709 T N 1.819 116.354 114.554 -0.031 0.000 2.882 709 T HA 0.238 4.588 4.350 -0.000 0.000 0.287 709 T C 1.196 175.891 174.700 -0.008 0.000 1.014 709 T CA -0.694 61.393 62.100 -0.023 0.000 1.049 709 T CB 0.858 69.716 68.868 -0.017 0.000 1.001 709 T HN 0.401 nan 8.240 nan 0.000 0.525 710 L N 1.474 122.692 121.223 -0.009 0.000 1.971 710 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 710 L C 2.692 179.581 176.870 0.032 0.000 1.072 710 L CA 1.787 56.628 54.840 0.003 0.000 0.758 710 L CB -0.961 41.083 42.059 -0.025 0.000 0.889 710 L HN 0.590 nan 8.230 nan 0.000 0.433 711 R N -0.671 119.828 120.500 -0.000 0.000 2.127 711 R HA -0.172 4.167 4.340 -0.000 0.000 0.238 711 R C 2.119 178.467 176.300 0.080 0.000 1.134 711 R CA 1.287 57.402 56.100 0.025 0.000 0.975 711 R CB -0.275 30.007 30.300 -0.030 0.000 0.865 711 R HN 0.548 nan 8.270 nan 0.000 0.447 712 E N 0.125 120.345 120.200 0.034 0.000 2.028 712 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 712 E C 2.072 178.679 176.600 0.011 0.000 0.988 712 E CA 1.640 58.050 56.400 0.016 0.000 0.799 712 E CB 0.014 29.711 29.700 -0.005 0.000 0.755 712 E HN 0.347 nan 8.360 nan 0.000 0.447 713 S N 0.741 116.450 115.700 0.016 0.000 2.453 713 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 713 S C 1.811 176.403 174.600 -0.013 0.000 1.005 713 S CA 0.434 58.628 58.200 -0.010 0.000 0.949 713 S CB -0.410 62.788 63.200 -0.003 0.000 0.774 713 S HN 0.275 nan 8.310 nan 0.000 0.510 714 F N 3.241 123.142 119.950 -0.083 0.000 2.051 714 F HA -0.068 4.459 4.527 -0.000 0.000 0.296 714 F C 2.436 178.178 175.800 -0.098 0.000 1.122 714 F CA 1.846 59.792 58.000 -0.091 0.000 1.201 714 F CB -0.518 38.417 39.000 -0.108 0.000 0.978 714 F HN 0.032 nan 8.300 nan 0.000 0.472 715 E N 0.420 120.542 120.200 -0.131 0.000 2.070 715 E HA -0.303 4.046 4.350 -0.000 0.000 0.197 715 E C 1.950 178.383 176.600 -0.279 0.000 1.004 715 E CA 1.808 58.074 56.400 -0.224 0.000 0.805 715 E CB -0.889 28.795 29.700 -0.027 0.000 0.744 715 E HN 0.523 nan 8.360 nan 0.000 0.451 716 D N 0.661 120.944 120.400 -0.195 0.000 2.126 716 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 716 D C 1.625 177.737 176.300 -0.312 0.000 1.001 716 D CA 1.432 55.316 54.000 -0.193 0.000 0.841 716 D CB -0.138 40.581 40.800 -0.134 0.000 0.949 716 D HN 0.061 nan 8.370 nan 0.000 0.446 717 N N -0.373 118.071 118.700 -0.427 0.000 2.120 717 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 717 N C 2.024 177.000 175.510 -0.889 0.000 1.024 717 N CA 0.762 53.385 53.050 -0.712 0.000 0.852 717 N CB -0.453 37.618 38.487 -0.692 0.000 1.003 717 N HN 0.166 nan 8.380 nan 0.000 0.424 718 V N 0.967 120.500 119.914 -0.634 0.000 2.407 718 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 718 V C 2.363 178.316 176.094 -0.235 0.000 1.055 718 V CA 1.037 63.112 62.300 -0.374 0.000 1.049 718 V CB -0.343 31.219 31.823 -0.434 0.000 0.662 718 V HN 0.066 nan 8.190 nan 0.000 0.455 719 V N -0.173 119.593 119.914 -0.246 0.000 2.548 719 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 719 V C 2.500 178.528 176.094 -0.110 0.000 1.055 719 V CA 1.996 64.218 62.300 -0.131 0.000 1.065 719 V CB -0.679 31.082 31.823 -0.104 0.000 0.681 719 V HN 0.503 nan 8.190 nan 0.000 0.462 720 R N -0.415 119.959 120.500 -0.209 0.000 2.073 720 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 720 R C 2.324 178.611 176.300 -0.022 0.000 1.120 720 R CA 1.503 57.514 56.100 -0.148 0.000 0.967 720 R CB -0.308 29.846 30.300 -0.245 0.000 0.862 720 R HN 0.471 nan 8.270 nan 0.000 0.436 721 F N 0.965 120.865 119.950 -0.083 0.000 2.046 721 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 721 F C 2.342 178.080 175.800 -0.102 0.000 1.123 721 F CA 0.807 58.751 58.000 -0.092 0.000 1.199 721 F CB -0.257 38.667 39.000 -0.127 0.000 0.972 721 F HN 0.015 nan 8.300 nan 0.000 0.474 722 L N -0.037 121.224 121.223 0.063 0.000 2.042 722 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 722 L C 2.107 179.036 176.870 0.099 0.000 1.076 722 L CA 1.117 55.908 54.840 -0.082 0.000 0.749 722 L CB -0.704 41.250 42.059 -0.175 0.000 0.893 722 L HN 0.174 nan 8.230 nan 0.000 0.432 723 N N -0.067 118.695 118.700 0.103 0.000 2.142 723 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 723 N C 1.740 177.324 175.510 0.123 0.000 1.023 723 N CA 1.092 54.216 53.050 0.124 0.000 0.852 723 N CB -0.156 38.378 38.487 0.079 0.000 0.998 723 N HN 0.358 nan 8.380 nan 0.000 0.424 724 E N 0.545 120.810 120.200 0.108 0.000 2.130 724 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 724 E C 1.850 178.515 176.600 0.108 0.000 0.998 724 E CA 1.194 57.657 56.400 0.105 0.000 0.806 724 E CB -0.076 29.692 29.700 0.114 0.000 0.738 724 E HN 0.372 nan 8.360 nan 0.000 0.459 725 A N 1.573 124.458 122.820 0.108 0.000 1.845 725 A HA -0.234 4.085 4.320 -0.000 0.000 0.215 725 A C 2.103 179.787 177.584 0.166 0.000 1.195 725 A CA 1.659 53.764 52.037 0.113 0.000 0.616 725 A CB -0.605 18.440 19.000 0.076 0.000 0.832 725 A HN 0.129 nan 8.150 nan 0.000 0.443 726 R N -0.311 120.324 120.500 0.226 0.000 2.112 726 R HA -0.247 4.092 4.340 -0.000 0.000 0.242 726 R C 1.648 178.039 176.300 0.151 0.000 1.137 726 R CA 2.375 58.587 56.100 0.186 0.000 0.944 726 R CB -0.666 29.743 30.300 0.180 0.000 0.857 726 R HN 0.514 nan 8.270 nan 0.000 0.435 727 D N 0.565 121.070 120.400 0.176 0.000 2.087 727 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 727 D C 1.878 178.322 176.300 0.240 0.000 0.993 727 D CA 2.137 56.282 54.000 0.241 0.000 0.828 727 D CB -0.310 40.598 40.800 0.181 0.000 0.968 727 D HN 0.538 nan 8.370 nan 0.000 0.448 728 K N 0.780 121.271 120.400 0.152 0.000 2.209 728 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 728 K C 2.043 178.719 176.600 0.128 0.000 1.048 728 K CA 1.315 57.673 56.287 0.118 0.000 0.940 728 K CB -0.111 32.436 32.500 0.078 0.000 0.729 728 K HN 0.042 nan 8.250 nan 0.000 0.451 729 A N 1.773 124.670 122.820 0.130 0.000 1.968 729 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 729 A C 2.466 180.119 177.584 0.115 0.000 1.169 729 A CA 1.327 53.426 52.037 0.103 0.000 0.638 729 A CB -0.965 18.089 19.000 0.090 0.000 0.812 729 A HN 0.511 nan 8.150 nan 0.000 0.446 730 G N -0.521 108.383 108.800 0.173 0.000 2.403 730 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 730 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 730 G C 1.753 176.938 174.900 0.476 0.000 1.154 730 G CA 0.634 45.848 45.100 0.191 0.000 0.784 730 G HN 0.528 nan 8.290 nan 0.000 0.538 731 R N -0.142 120.627 120.500 0.448 0.000 2.075 731 R HA 0.129 4.469 4.340 -0.000 0.000 0.232 731 R C 2.568 178.964 176.300 0.161 0.000 1.126 731 R CA 0.587 56.834 56.100 0.244 0.000 0.963 731 R CB -0.529 29.796 30.300 0.042 0.000 0.858 731 R HN 0.307 nan 8.270 nan 0.000 0.435 732 L N 0.420 121.720 121.223 0.128 0.000 2.079 732 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 732 L C 2.646 179.569 176.870 0.088 0.000 1.081 732 L CA 1.426 56.318 54.840 0.086 0.000 0.752 732 L CB -0.574 41.526 42.059 0.070 0.000 0.896 732 L HN 0.265 nan 8.230 nan 0.000 0.433 733 A N -0.471 122.412 122.820 0.105 0.000 1.929 733 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 733 A C 2.239 179.885 177.584 0.103 0.000 1.176 733 A CA 1.482 53.570 52.037 0.084 0.000 0.628 733 A CB -0.370 18.664 19.000 0.057 0.000 0.816 733 A HN 0.475 nan 8.150 nan 0.000 0.444 734 E N -0.045 120.254 120.200 0.166 0.000 2.031 734 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 734 E C 1.839 178.503 176.600 0.106 0.000 0.994 734 E CA 1.585 58.090 56.400 0.175 0.000 0.800 734 E CB -0.212 29.659 29.700 0.284 0.000 0.752 734 E HN 0.232 nan 8.360 nan 0.000 0.447 735 V N 2.428 122.393 119.914 0.085 0.000 2.282 735 V HA -0.342 3.778 4.120 -0.000 0.000 0.249 735 V C 2.518 178.642 176.094 0.050 0.000 1.057 735 V CA 2.106 64.438 62.300 0.055 0.000 1.032 735 V CB -0.903 30.945 31.823 0.042 0.000 0.645 735 V HN 0.464 nan 8.190 nan 0.000 0.447 736 N N 0.636 119.368 118.700 0.053 0.000 2.006 736 N HA -0.152 4.588 4.740 -0.000 0.000 0.196 736 N C 0.785 176.322 175.510 0.045 0.000 1.057 736 N CA 1.007 54.084 53.050 0.045 0.000 0.853 736 N CB -0.527 37.986 38.487 0.043 0.000 1.051 736 N HN 0.428 nan 8.380 nan 0.000 0.423 737 L N 2.276 123.530 121.223 0.051 0.000 2.972 737 L HA -0.190 4.150 4.340 -0.000 0.000 0.312 737 L C 1.034 177.934 176.870 0.049 0.000 1.169 737 L CA 0.482 55.352 54.840 0.050 0.000 0.873 737 L CB -0.232 41.864 42.059 0.060 0.000 1.237 737 L HN 0.302 nan 8.230 nan 0.000 0.510 738 K N 2.862 123.289 120.400 0.045 0.000 2.332 738 K HA 0.084 4.403 4.320 -0.000 0.000 0.246 738 K C 0.491 177.123 176.600 0.053 0.000 1.066 738 K CA -0.778 55.535 56.287 0.044 0.000 0.898 738 K CB 0.475 32.999 32.500 0.040 0.000 1.192 738 K HN 0.468 nan 8.250 nan 0.000 0.509 739 D N 0.160 120.592 120.400 0.054 0.000 2.348 739 D HA -0.017 4.622 4.640 -0.000 0.000 0.211 739 D C 1.578 177.924 176.300 0.077 0.000 0.998 739 D CA 0.610 54.649 54.000 0.064 0.000 0.873 739 D CB 0.132 40.967 40.800 0.060 0.000 0.925 739 D HN 0.162 nan 8.370 nan 0.000 0.524 740 L N 0.671 121.933 121.223 0.066 0.000 2.109 740 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 740 L C 0.848 177.757 176.870 0.065 0.000 1.086 740 L CA 0.472 55.351 54.840 0.064 0.000 0.760 740 L CB -1.266 40.819 42.059 0.043 0.000 0.910 740 L HN -0.084 nan 8.230 nan 0.000 0.437 741 N N 0.875 119.610 118.700 0.059 0.000 2.332 741 N HA -0.137 4.603 4.740 -0.000 0.000 0.274 741 N C 1.143 176.707 175.510 0.090 0.000 1.351 741 N CA 0.036 53.120 53.050 0.057 0.000 0.875 741 N CB 0.225 38.746 38.487 0.057 0.000 1.140 741 N HN 0.160 nan 8.380 nan 0.000 0.489 742 N N 2.805 121.543 118.700 0.063 0.000 2.166 742 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 742 N C 1.374 177.008 175.510 0.207 0.000 1.019 742 N CA 0.853 53.974 53.050 0.119 0.000 0.856 742 N CB -0.105 38.284 38.487 -0.163 0.000 0.993 742 N HN 0.314 nan 8.380 nan 0.000 0.426 743 V N 1.776 121.759 119.914 0.115 0.000 2.295 743 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 743 V C 2.515 178.685 176.094 0.126 0.000 1.049 743 V CA 1.600 63.971 62.300 0.118 0.000 1.024 743 V CB -0.468 31.401 31.823 0.076 0.000 0.648 743 V HN 0.337 nan 8.190 nan 0.000 0.447 744 K N -0.399 120.068 120.400 0.112 0.000 2.148 744 K HA -0.209 4.111 4.320 -0.000 0.000 0.204 744 K C 2.195 178.861 176.600 0.109 0.000 1.050 744 K CA 1.467 57.816 56.287 0.102 0.000 0.942 744 K CB -0.120 32.432 32.500 0.088 0.000 0.724 744 K HN 0.507 nan 8.250 nan 0.000 0.446 745 Q N -0.103 119.787 119.800 0.151 0.000 2.170 745 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 745 Q C 2.096 178.143 176.000 0.079 0.000 0.976 745 Q CA 1.651 57.541 55.803 0.144 0.000 0.858 745 Q CB -0.003 28.897 28.738 0.271 0.000 0.907 745 Q HN 0.426 nan 8.270 nan 0.000 0.433 746 M N -0.609 119.064 119.600 0.122 0.000 2.099 746 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 746 M C 2.251 178.572 176.300 0.035 0.000 1.067 746 M CA 1.047 56.375 55.300 0.047 0.000 1.124 746 M CB -0.194 32.476 32.600 0.116 0.000 1.353 746 M HN 0.055 nan 8.290 nan 0.000 0.410 747 V N 0.850 120.802 119.914 0.063 0.000 2.252 747 V HA -0.329 3.790 4.120 -0.000 0.000 0.249 747 V C 2.367 178.484 176.094 0.038 0.000 1.056 747 V CA 2.020 64.354 62.300 0.056 0.000 1.022 747 V CB -0.518 31.351 31.823 0.077 0.000 0.641 747 V HN 0.520 nan 8.190 nan 0.000 0.445 748 M N -0.661 118.961 119.600 0.037 0.000 2.346 748 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 748 M C 2.047 178.347 176.300 -0.000 0.000 1.064 748 M CA 1.895 57.208 55.300 0.022 0.000 1.083 748 M CB -0.426 32.189 32.600 0.025 0.000 1.399 748 M HN 0.439 nan 8.290 nan 0.000 0.435 749 A N -1.002 121.809 122.820 -0.014 0.000 2.044 749 A HA 0.395 4.715 4.320 -0.000 0.000 0.213 749 A C 1.890 179.458 177.584 -0.027 0.000 1.169 749 A CA 1.196 53.211 52.037 -0.037 0.000 0.724 749 A CB -0.102 18.853 19.000 -0.075 0.000 0.840 749 A HN 0.558 nan 8.150 nan 0.000 0.463 750 G N -0.785 108.009 108.800 -0.010 0.000 2.436 750 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.204 750 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.204 750 G C 0.699 175.602 174.900 0.004 0.000 1.026 750 G CA 0.360 45.460 45.100 -0.001 0.000 0.658 750 G HN 1.437 nan 8.290 nan 0.000 0.499 751 S N 1.519 117.215 115.700 -0.008 0.000 2.566 751 S HA 0.428 4.898 4.470 -0.000 0.000 0.280 751 S C 0.552 175.163 174.600 0.019 0.000 1.343 751 S CA 0.665 58.866 58.200 0.001 0.000 1.036 751 S CB 0.748 63.936 63.200 -0.021 0.000 0.866 751 S HN 0.737 nan 8.310 nan 0.000 0.526 752 K N 0.935 121.352 120.400 0.028 0.000 2.462 752 K HA 0.073 4.393 4.320 -0.000 0.000 0.249 752 K C 0.702 177.329 176.600 0.046 0.000 1.067 752 K CA 1.507 57.816 56.287 0.036 0.000 1.118 752 K CB -0.874 31.650 32.500 0.040 0.000 0.712 752 K HN 1.448 nan 8.250 nan 0.000 0.426 753 G N 0.650 109.477 108.800 0.045 0.000 2.911 753 G HA2 0.030 3.990 3.960 -0.000 0.000 0.686 753 G HA3 0.030 3.990 3.960 -0.000 0.000 0.686 753 G C -0.549 174.387 174.900 0.060 0.000 1.136 753 G CA -0.336 44.795 45.100 0.052 0.000 0.764 753 G HN 0.888 nan 8.290 nan 0.000 0.626 754 S N 1.143 116.882 115.700 0.064 0.000 2.811 754 S HA 0.801 5.271 4.470 -0.000 0.000 0.311 754 S C 0.942 175.616 174.600 0.122 0.000 1.152 754 S CA 0.110 58.366 58.200 0.094 0.000 0.864 754 S CB 1.549 64.801 63.200 0.087 0.000 1.226 754 S HN 1.721 nan 8.310 nan 0.000 0.541 755 F N 0.996 120.962 119.950 0.027 0.000 2.084 755 F HA 0.081 4.608 4.527 -0.000 0.000 0.296 755 F C 2.010 177.826 175.800 0.027 0.000 1.111 755 F CA 1.345 59.361 58.000 0.026 0.000 1.224 755 F CB -0.386 38.627 39.000 0.022 0.000 0.991 755 F HN 0.559 nan 8.300 nan 0.000 0.471 756 I N 1.299 121.745 120.570 -0.207 0.000 2.236 756 I HA -0.375 3.795 4.170 -0.000 0.000 0.249 756 I C 1.802 177.791 176.117 -0.213 0.000 1.102 756 I CA 1.766 62.900 61.300 -0.277 0.000 1.365 756 I CB -0.928 37.042 38.000 -0.050 0.000 1.051 756 I HN 0.307 nan 8.210 nan 0.000 0.420 757 N N 1.013 119.654 118.700 -0.097 0.000 2.080 757 N HA -0.125 4.615 4.740 -0.000 0.000 0.189 757 N C 1.966 177.441 175.510 -0.058 0.000 1.036 757 N CA 1.496 54.525 53.050 -0.035 0.000 0.846 757 N CB -0.350 38.144 38.487 0.011 0.000 1.015 757 N HN 0.405 nan 8.380 nan 0.000 0.423 758 I N 1.477 122.001 120.570 -0.077 0.000 2.264 758 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 758 I C 2.339 178.373 176.117 -0.137 0.000 1.111 758 I CA 1.006 62.269 61.300 -0.062 0.000 1.382 758 I CB -0.299 37.694 38.000 -0.012 0.000 1.060 758 I HN 0.077 nan 8.210 nan 0.000 0.418 759 A N 0.150 122.774 122.820 -0.326 0.000 1.898 759 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 759 A C 2.247 179.684 177.584 -0.244 0.000 1.181 759 A CA 1.429 53.242 52.037 -0.373 0.000 0.620 759 A CB -0.514 18.038 19.000 -0.748 0.000 0.819 759 A HN 0.480 nan 8.150 nan 0.000 0.442 760 Q N -1.133 118.537 119.800 -0.217 0.000 2.172 760 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 760 Q C 2.168 178.057 176.000 -0.184 0.000 0.964 760 Q CA 1.265 56.920 55.803 -0.247 0.000 0.855 760 Q CB -0.203 28.429 28.738 -0.178 0.000 0.918 760 Q HN 0.699 nan 8.270 nan 0.000 0.444 761 M N -0.253 119.352 119.600 0.009 0.000 2.098 761 M HA -0.114 4.365 4.480 -0.000 0.000 0.262 761 M C 2.176 178.485 176.300 0.016 0.000 1.072 761 M CA 1.332 56.695 55.300 0.104 0.000 1.133 761 M CB 0.038 32.702 32.600 0.106 0.000 1.344 761 M HN 0.069 nan 8.290 nan 0.000 0.414 762 S N 0.177 115.865 115.700 -0.019 0.000 2.341 762 S HA 0.203 4.673 4.470 -0.000 0.000 0.216 762 S C 1.048 175.625 174.600 -0.040 0.000 1.034 762 S CA 0.583 58.772 58.200 -0.018 0.000 0.964 762 S CB -0.149 63.049 63.200 -0.003 0.000 0.882 762 S HN 0.452 nan 8.310 nan 0.000 0.469 763 A N 0.502 123.283 122.820 -0.066 0.000 2.717 763 A HA 0.513 4.833 4.320 -0.000 0.000 0.262 763 A C 0.466 177.977 177.584 -0.121 0.000 1.483 763 A CA -0.547 51.453 52.037 -0.062 0.000 0.889 763 A CB -0.486 18.494 19.000 -0.033 0.000 1.604 763 A HN 0.458 nan 8.150 nan 0.000 0.523 764 C N -0.348 118.887 119.300 -0.108 0.000 2.378 764 C HA 0.115 4.575 4.460 -0.000 0.000 0.395 764 C C 1.980 176.787 174.990 -0.305 0.000 1.476 764 C CA 0.461 59.365 59.018 -0.190 0.000 1.541 764 C CB -1.221 26.450 27.740 -0.116 0.000 2.524 764 C HN 0.539 nan 8.230 nan 0.000 0.595 765 V N 6.241 125.895 119.914 -0.434 0.000 2.358 765 V HA 0.219 4.338 4.120 -0.000 0.000 0.246 765 V C 1.505 177.336 176.094 -0.438 0.000 1.047 765 V CA 2.248 64.216 62.300 -0.553 0.000 1.035 765 V CB -1.059 30.310 31.823 -0.756 0.000 0.658 765 V HN 1.460 nan 8.190 nan 0.000 0.452 766 G N -0.502 107.998 108.800 -0.500 0.000 2.331 766 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.479 766 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.479 766 G C -0.809 173.863 174.900 -0.379 0.000 1.262 766 G CA -0.060 44.807 45.100 -0.389 0.000 1.029 766 G HN 0.450 nan 8.290 nan 0.000 0.487 767 Q N 0.314 120.061 119.800 -0.089 0.000 2.314 767 Q HA 0.619 4.959 4.340 -0.000 0.000 0.259 767 Q C 0.317 176.324 176.000 0.012 0.000 0.951 767 Q CA -0.491 55.335 55.803 0.038 0.000 0.909 767 Q CB 1.026 29.886 28.738 0.203 0.000 1.236 767 Q HN 0.549 nan 8.270 nan 0.000 0.444 768 Q N 1.514 121.326 119.800 0.019 0.000 2.471 768 Q HA 0.549 4.889 4.340 -0.000 0.000 0.223 768 Q C -0.753 175.253 176.000 0.010 0.000 1.045 768 Q CA 0.010 55.837 55.803 0.041 0.000 0.956 768 Q CB 1.375 30.172 28.738 0.098 0.000 1.249 768 Q HN 0.852 nan 8.270 nan 0.000 0.549 769 S N -1.872 113.831 115.700 0.006 0.000 2.606 769 S HA 0.480 4.950 4.470 -0.000 0.000 0.290 769 S C -1.186 173.404 174.600 -0.016 0.000 1.103 769 S CA -0.996 57.194 58.200 -0.017 0.000 0.870 769 S CB 0.417 63.611 63.200 -0.011 0.000 1.077 769 S HN 0.205 nan 8.310 nan 0.000 0.448 770 V N 1.693 121.591 119.914 -0.027 0.000 2.540 770 V HA 0.619 4.738 4.120 -0.000 0.000 0.302 770 V C 0.275 176.354 176.094 -0.025 0.000 1.035 770 V CA -0.583 61.703 62.300 -0.024 0.000 0.873 770 V CB 0.930 32.739 31.823 -0.023 0.000 0.992 770 V HN 1.155 nan 8.190 nan 0.000 0.428 771 E N 3.111 123.299 120.200 -0.020 0.000 2.252 771 E HA -0.252 4.097 4.350 -0.000 0.000 0.218 771 E C 1.251 177.840 176.600 -0.019 0.000 1.253 771 E CA 0.570 56.959 56.400 -0.018 0.000 0.705 771 E CB -1.162 28.526 29.700 -0.019 0.000 1.172 771 E HN 1.556 nan 8.360 nan 0.000 0.369 772 G N -0.091 108.699 108.800 -0.017 0.000 2.186 772 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.266 772 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.266 772 G C 0.221 175.106 174.900 -0.024 0.000 0.982 772 G CA 1.419 46.509 45.100 -0.017 0.000 0.670 772 G HN 0.371 nan 8.290 nan 0.000 0.533 773 K N -0.741 119.639 120.400 -0.032 0.000 2.378 773 K HA 0.633 4.953 4.320 -0.000 0.000 0.244 773 K C 0.523 177.089 176.600 -0.057 0.000 1.039 773 K CA -1.221 55.039 56.287 -0.045 0.000 0.863 773 K CB 1.413 33.881 32.500 -0.053 0.000 1.326 773 K HN 0.095 nan 8.250 nan 0.000 0.460 774 R N 0.716 121.173 120.500 -0.072 0.000 2.707 774 R HA 0.208 4.548 4.340 -0.000 0.000 0.270 774 R C 0.327 176.538 176.300 -0.147 0.000 1.083 774 R CA -0.728 55.315 56.100 -0.096 0.000 1.182 774 R CB 0.094 30.341 30.300 -0.087 0.000 1.084 774 R HN 0.436 nan 8.270 nan 0.000 0.528 775 I N 1.962 122.407 120.570 -0.208 0.000 2.919 775 I HA -0.141 4.029 4.170 -0.000 0.000 0.299 775 I C 1.090 177.087 176.117 -0.199 0.000 1.221 775 I CA 0.418 61.576 61.300 -0.238 0.000 1.424 775 I CB -1.154 36.524 38.000 -0.537 0.000 1.358 775 I HN 0.634 nan 8.210 nan 0.000 0.551 776 A N 7.785 130.536 122.820 -0.115 0.000 2.313 776 A HA 0.347 4.667 4.320 -0.000 0.000 0.261 776 A C 0.186 177.811 177.584 0.070 0.000 1.090 776 A CA -0.443 51.518 52.037 -0.127 0.000 0.807 776 A CB 0.078 19.038 19.000 -0.066 0.000 1.055 776 A HN 0.584 nan 8.150 nan 0.000 0.492 777 F N 1.890 121.842 119.950 0.003 0.000 2.685 777 F HA 0.131 4.658 4.527 -0.000 0.000 0.349 777 F C 1.802 177.645 175.800 0.072 0.000 1.294 777 F CA -0.198 57.825 58.000 0.039 0.000 1.201 777 F CB -0.021 38.982 39.000 0.004 0.000 1.615 777 F HN 0.855 nan 8.300 nan 0.000 0.674 778 G N 2.648 111.614 108.800 0.276 0.000 2.446 778 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 778 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 778 G C 0.503 175.396 174.900 -0.011 0.000 1.168 778 G CA 0.286 45.439 45.100 0.089 0.000 0.771 778 G HN 0.293 nan 8.290 nan 0.000 0.551 779 F N -0.458 119.570 119.950 0.130 0.000 2.375 779 F HA 0.412 4.938 4.527 -0.000 0.000 0.313 779 F C 0.693 176.521 175.800 0.047 0.000 1.176 779 F CA -0.904 57.139 58.000 0.072 0.000 1.142 779 F CB 1.041 40.073 39.000 0.054 0.000 1.275 779 F HN -0.242 nan 8.300 nan 0.000 0.544 780 V N 2.395 122.439 119.914 0.217 0.000 2.425 780 V HA -0.003 4.117 4.120 -0.000 0.000 0.276 780 V C -0.340 175.752 176.094 -0.004 0.000 1.017 780 V CA 0.070 62.432 62.300 0.103 0.000 1.062 780 V CB -0.482 31.386 31.823 0.075 0.000 0.997 780 V HN 0.808 nan 8.190 nan 0.000 0.476 781 D N 3.035 123.391 120.400 -0.074 0.000 2.945 781 D HA -0.182 4.457 4.640 -0.000 0.000 0.225 781 D C 0.382 176.045 176.300 -1.061 0.000 1.158 781 D CA 1.423 55.140 54.000 -0.471 0.000 0.805 781 D CB -0.672 39.979 40.800 -0.248 0.000 1.098 781 D HN 0.954 nan 8.370 nan 0.000 0.426 782 R N -3.094 116.978 120.500 -0.713 0.000 2.664 782 R HA 0.502 4.841 4.340 -0.000 0.000 0.266 782 R C 0.970 177.342 176.300 0.121 0.000 1.046 782 R CA -0.423 55.376 56.100 -0.502 0.000 0.885 782 R CB 0.320 30.494 30.300 -0.210 0.000 1.254 782 R HN -0.121 nan 8.270 nan 0.000 0.465 783 T N -0.616 114.090 114.554 0.254 0.000 2.857 783 T HA 0.166 4.516 4.350 -0.000 0.000 0.266 783 T C 0.877 175.981 174.700 0.674 0.000 1.048 783 T CA 0.572 62.965 62.100 0.489 0.000 1.139 783 T CB -0.031 69.055 68.868 0.365 0.000 0.874 783 T HN 0.365 nan 8.240 nan 0.000 0.455 784 L N 0.798 122.354 121.223 0.555 0.000 2.415 784 L HA 0.397 4.736 4.340 -0.000 0.000 0.256 784 L C -1.981 174.829 176.870 -0.099 0.000 1.010 784 L CA -2.534 52.498 54.840 0.319 0.000 0.826 784 L CB 2.883 45.232 42.059 0.483 0.000 1.405 784 L HN -0.249 nan 8.230 nan 0.000 0.410 785 P HA -0.093 nan 4.420 nan 0.000 0.242 785 P C 0.728 177.757 177.300 -0.452 0.000 1.197 785 P CA 1.102 63.812 63.100 -0.650 0.000 0.765 785 P CB 0.038 31.249 31.700 -0.814 0.000 0.936 786 H N -1.752 117.155 119.070 -0.271 0.000 2.535 786 H HA 0.147 4.703 4.556 -0.000 0.000 0.273 786 H C 0.745 175.853 175.328 -0.367 0.000 0.983 786 H CA 0.196 56.039 56.048 -0.342 0.000 1.238 786 H CB -0.126 29.359 29.762 -0.462 0.000 1.412 786 H HN 0.189 nan 8.280 nan 0.000 0.562 787 F N 0.619 120.584 119.950 0.024 0.000 2.403 787 F HA 0.308 4.834 4.527 -0.000 0.000 0.326 787 F C 0.968 176.730 175.800 -0.063 0.000 1.099 787 F CA -0.765 57.238 58.000 0.004 0.000 1.036 787 F CB 1.022 40.042 39.000 0.033 0.000 1.336 787 F HN -0.222 nan 8.300 nan 0.000 0.497 788 S N -0.417 115.383 115.700 0.167 0.000 2.690 788 S HA 0.373 4.843 4.470 -0.000 0.000 0.291 788 S C -0.553 174.022 174.600 -0.041 0.000 1.138 788 S CA -0.949 57.271 58.200 0.034 0.000 1.013 788 S CB 1.156 64.377 63.200 0.035 0.000 1.053 788 S HN 0.323 nan 8.310 nan 0.000 0.539 789 K N 1.466 121.813 120.400 -0.088 0.000 2.380 789 K HA 0.069 4.389 4.320 -0.000 0.000 0.267 789 K C -0.565 175.934 176.600 -0.170 0.000 0.990 789 K CA 0.199 56.379 56.287 -0.179 0.000 0.946 789 K CB 0.106 32.534 32.500 -0.121 0.000 0.937 789 K HN 0.525 nan 8.250 nan 0.000 0.491 790 D N 1.477 121.691 120.400 -0.309 0.000 2.746 790 D HA -0.164 4.476 4.640 -0.000 0.000 0.236 790 D C -0.839 175.439 176.300 -0.036 0.000 1.129 790 D CA 1.065 54.998 54.000 -0.111 0.000 0.691 790 D CB -0.942 39.914 40.800 0.094 0.000 1.077 790 D HN 0.528 nan 8.370 nan 0.000 0.432 791 D N -0.034 120.233 120.400 -0.221 0.000 2.473 791 D HA 0.160 4.799 4.640 -0.000 0.000 0.226 791 D C 0.149 176.420 176.300 -0.048 0.000 1.089 791 D CA -0.563 53.412 54.000 -0.042 0.000 0.883 791 D CB -0.029 40.744 40.800 -0.044 0.000 1.029 791 D HN 0.107 nan 8.370 nan 0.000 0.517 792 Y N 1.243 121.655 120.300 0.188 0.000 2.532 792 Y HA 0.101 4.651 4.550 -0.000 0.000 0.283 792 Y C 1.522 177.528 175.900 0.177 0.000 1.181 792 Y CA -0.481 57.753 58.100 0.223 0.000 1.256 792 Y CB -0.268 38.349 38.460 0.263 0.000 1.112 792 Y HN 0.220 nan 8.280 nan 0.000 0.521 793 S N 0.956 116.790 115.700 0.223 0.000 2.587 793 S HA 0.058 4.528 4.470 -0.000 0.000 0.260 793 S C -1.391 173.277 174.600 0.114 0.000 1.353 793 S CA -1.002 57.298 58.200 0.167 0.000 0.995 793 S CB 0.962 64.248 63.200 0.143 0.000 0.912 793 S HN 0.085 nan 8.310 nan 0.000 0.568 794 P HA -0.065 nan 4.420 nan 0.000 0.217 794 P C 0.809 178.214 177.300 0.176 0.000 1.151 794 P CA 1.198 64.347 63.100 0.082 0.000 0.828 794 P CB -0.085 31.581 31.700 -0.057 0.000 0.788 795 E N 0.306 120.629 120.200 0.206 0.000 2.110 795 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 795 E C 2.365 179.125 176.600 0.266 0.000 0.988 795 E CA 1.457 58.042 56.400 0.308 0.000 0.804 795 E CB -0.980 28.927 29.700 0.346 0.000 0.745 795 E HN 0.207 nan 8.360 nan 0.000 0.458 796 S N 0.337 116.000 115.700 -0.060 0.000 2.345 796 S HA -0.117 4.353 4.470 -0.000 0.000 0.219 796 S C 1.676 176.052 174.600 -0.374 0.000 1.031 796 S CA 1.013 58.781 58.200 -0.721 0.000 0.984 796 S CB -0.044 62.759 63.200 -0.661 0.000 0.874 796 S HN -0.003 nan 8.310 nan 0.000 0.451 797 K N 0.233 120.515 120.400 -0.197 0.000 2.589 797 K HA 0.286 4.605 4.320 -0.000 0.000 0.204 797 K C 0.766 177.189 176.600 -0.296 0.000 1.029 797 K CA 0.583 56.726 56.287 -0.240 0.000 1.177 797 K CB -0.319 32.123 32.500 -0.097 0.000 0.902 797 K HN 0.542 nan 8.250 nan 0.000 0.501 798 G N 0.046 108.665 108.800 -0.302 0.000 2.179 798 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 798 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 798 G C -0.194 174.788 174.900 0.137 0.000 0.990 798 G CA -0.292 44.714 45.100 -0.156 0.000 0.646 798 G HN 0.328 nan 8.290 nan 0.000 0.517 799 F N 2.077 122.052 119.950 0.042 0.000 2.467 799 F HA 0.571 5.098 4.527 -0.000 0.000 0.362 799 F C 0.433 176.284 175.800 0.086 0.000 1.090 799 F CA -0.600 57.428 58.000 0.047 0.000 1.202 799 F CB 1.337 40.362 39.000 0.042 0.000 1.113 799 F HN -0.005 nan 8.300 nan 0.000 0.541 800 V N 8.040 127.664 119.914 -0.484 0.000 2.304 800 V HA 0.079 4.198 4.120 -0.000 0.000 0.269 800 V C 0.966 176.673 176.094 -0.645 0.000 1.036 800 V CA -0.219 61.857 62.300 -0.373 0.000 0.840 800 V CB 0.754 32.392 31.823 -0.309 0.000 1.036 800 V HN 0.968 nan 8.190 nan 0.000 0.466 801 E N 4.093 124.103 120.200 -0.317 0.000 2.051 801 E HA -0.117 4.232 4.350 -0.000 0.000 0.192 801 E C 0.965 177.471 176.600 -0.156 0.000 0.991 801 E CA 0.711 57.017 56.400 -0.158 0.000 0.799 801 E CB 0.244 30.033 29.700 0.149 0.000 0.748 801 E HN 0.718 nan 8.360 nan 0.000 0.449 802 N N 1.105 119.735 118.700 -0.117 0.000 2.415 802 N HA -0.028 4.712 4.740 -0.000 0.000 0.248 802 N C -0.104 175.288 175.510 -0.196 0.000 1.271 802 N CA 0.455 53.441 53.050 -0.106 0.000 0.913 802 N CB 1.190 39.647 38.487 -0.050 0.000 1.129 802 N HN 0.133 nan 8.380 nan 0.000 0.444 803 S N 0.174 115.782 115.700 -0.155 0.000 2.713 803 S HA 0.261 4.731 4.470 -0.000 0.000 0.277 803 S C 1.136 175.639 174.600 -0.161 0.000 1.168 803 S CA -0.576 57.492 58.200 -0.220 0.000 0.994 803 S CB 0.339 63.469 63.200 -0.117 0.000 1.054 803 S HN 0.560 nan 8.310 nan 0.000 0.555 804 Y N -0.371 119.901 120.300 -0.045 0.000 2.242 804 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 804 Y C 2.342 178.239 175.900 -0.005 0.000 1.137 804 Y CA 0.759 58.849 58.100 -0.016 0.000 1.181 804 Y CB -0.242 38.212 38.460 -0.010 0.000 0.989 804 Y HN 0.544 nan 8.280 nan 0.000 0.527 805 L N 0.712 122.016 121.223 0.135 0.000 2.012 805 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 805 L C 2.243 179.145 176.870 0.053 0.000 1.073 805 L CA 1.857 56.742 54.840 0.076 0.000 0.748 805 L CB -0.518 41.568 42.059 0.045 0.000 0.891 805 L HN 0.043 nan 8.230 nan 0.000 0.431 806 R N -0.439 120.081 120.500 0.033 0.000 2.148 806 R HA 0.202 4.542 4.340 -0.000 0.000 0.223 806 R C 0.550 176.870 176.300 0.033 0.000 1.088 806 R CA 0.606 56.719 56.100 0.022 0.000 0.985 806 R CB -0.248 30.055 30.300 0.004 0.000 0.880 806 R HN 0.623 nan 8.270 nan 0.000 0.451 807 G N 0.054 108.888 108.800 0.057 0.000 2.675 807 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 807 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 807 G C -1.323 173.616 174.900 0.066 0.000 1.215 807 G CA -1.050 44.096 45.100 0.077 0.000 0.777 807 G HN -0.002 nan 8.290 nan 0.000 0.638 808 L N 1.060 122.349 121.223 0.110 0.000 2.375 808 L HA 0.810 5.150 4.340 -0.000 0.000 0.268 808 L C 1.560 178.480 176.870 0.083 0.000 1.058 808 L CA 0.093 55.002 54.840 0.114 0.000 0.803 808 L CB 1.603 43.800 42.059 0.229 0.000 1.212 808 L HN 1.110 nan 8.230 nan 0.000 0.451 809 T N -1.524 113.073 114.554 0.072 0.000 2.899 809 T HA 0.376 4.725 4.350 -0.000 0.000 0.284 809 T C -1.852 172.871 174.700 0.038 0.000 1.004 809 T CA -1.638 60.478 62.100 0.027 0.000 1.043 809 T CB 1.195 70.074 68.868 0.017 0.000 1.013 809 T HN 0.469 nan 8.240 nan 0.000 0.518 810 P HA -0.225 nan 4.420 nan 0.000 0.215 810 P C 1.326 178.617 177.300 -0.015 0.000 1.163 810 P CA 1.545 64.622 63.100 -0.039 0.000 0.894 810 P CB 0.065 31.682 31.700 -0.138 0.000 0.791 811 Q N 0.232 119.940 119.800 -0.153 0.000 2.061 811 Q HA -0.172 4.167 4.340 -0.000 0.000 0.204 811 Q C 2.297 178.159 176.000 -0.230 0.000 0.984 811 Q CA 1.660 57.278 55.803 -0.307 0.000 0.846 811 Q CB -0.856 27.771 28.738 -0.185 0.000 0.902 811 Q HN 0.456 nan 8.270 nan 0.000 0.421 812 E N -0.275 119.954 120.200 0.050 0.000 2.118 812 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 812 E C 1.661 178.405 176.600 0.240 0.000 0.992 812 E CA 0.941 57.450 56.400 0.182 0.000 0.804 812 E CB -0.235 29.552 29.700 0.144 0.000 0.741 812 E HN 0.298 nan 8.360 nan 0.000 0.458 813 F N 0.670 120.667 119.950 0.079 0.000 2.102 813 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 813 F C 2.024 177.919 175.800 0.158 0.000 1.105 813 F CA 1.315 59.397 58.000 0.135 0.000 1.239 813 F CB -0.290 38.765 39.000 0.092 0.000 0.991 813 F HN -0.060 nan 8.300 nan 0.000 0.474 814 F N 0.190 120.157 119.950 0.028 0.000 2.102 814 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 814 F C 2.158 177.985 175.800 0.045 0.000 1.105 814 F CA 1.759 59.722 58.000 -0.063 0.000 1.239 814 F CB -0.866 38.081 39.000 -0.088 0.000 0.991 814 F HN 0.010 nan 8.300 nan 0.000 0.474 815 F N -1.453 118.637 119.950 0.234 0.000 2.171 815 F HA -0.271 4.255 4.527 -0.000 0.000 0.300 815 F C 2.529 178.360 175.800 0.051 0.000 1.090 815 F CA 1.064 59.147 58.000 0.137 0.000 1.293 815 F CB -0.626 38.485 39.000 0.185 0.000 1.013 815 F HN 0.089 nan 8.300 nan 0.000 0.486 816 H N 0.444 119.576 119.070 0.104 0.000 2.495 816 H HA 0.055 4.610 4.556 -0.000 0.000 0.287 816 H C 1.824 177.066 175.328 -0.143 0.000 1.033 816 H CA 0.907 56.947 56.048 -0.013 0.000 1.307 816 H CB -0.037 29.724 29.762 -0.003 0.000 1.401 816 H HN 0.147 nan 8.280 nan 0.000 0.555 817 A N 0.021 122.637 122.820 -0.340 0.000 1.975 817 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 817 A C 2.398 179.769 177.584 -0.354 0.000 1.170 817 A CA 0.871 52.612 52.037 -0.493 0.000 0.656 817 A CB -0.399 18.214 19.000 -0.644 0.000 0.821 817 A HN 0.425 nan 8.150 nan 0.000 0.449 818 M N -0.389 119.041 119.600 -0.282 0.000 2.086 818 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 818 M C 2.332 178.572 176.300 -0.100 0.000 1.067 818 M CA 1.617 56.811 55.300 -0.177 0.000 1.116 818 M CB -0.652 31.922 32.600 -0.044 0.000 1.348 818 M HN 0.492 nan 8.290 nan 0.000 0.407 819 G N -0.137 108.636 108.800 -0.044 0.000 2.418 819 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.217 819 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.217 819 G C 1.504 176.367 174.900 -0.060 0.000 1.158 819 G CA 0.963 46.055 45.100 -0.013 0.000 0.771 819 G HN 0.560 nan 8.290 nan 0.000 0.545 820 G N 0.799 109.510 108.800 -0.147 0.000 2.491 820 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 820 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 820 G C 1.856 176.671 174.900 -0.142 0.000 1.180 820 G CA 1.310 46.293 45.100 -0.195 0.000 0.774 820 G HN 0.478 nan 8.290 nan 0.000 0.562 821 R N 0.657 121.065 120.500 -0.153 0.000 2.105 821 R HA -0.062 4.278 4.340 -0.000 0.000 0.239 821 R C 2.380 178.632 176.300 -0.080 0.000 1.135 821 R CA 1.890 57.920 56.100 -0.117 0.000 0.967 821 R CB -0.513 29.713 30.300 -0.124 0.000 0.861 821 R HN 0.531 nan 8.270 nan 0.000 0.442 822 E N -1.226 118.933 120.200 -0.068 0.000 2.085 822 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 822 E C 1.740 178.315 176.600 -0.041 0.000 0.994 822 E CA 1.329 57.701 56.400 -0.046 0.000 0.801 822 E CB -0.275 29.404 29.700 -0.035 0.000 0.743 822 E HN 0.612 nan 8.360 nan 0.000 0.453 823 G N 0.965 109.739 108.800 -0.043 0.000 2.404 823 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 823 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 823 G C 1.592 176.467 174.900 -0.041 0.000 1.174 823 G CA 0.406 45.485 45.100 -0.035 0.000 0.780 823 G HN 0.137 nan 8.290 nan 0.000 0.537 824 L N 0.149 121.341 121.223 -0.052 0.000 2.013 824 L HA -0.111 4.228 4.340 -0.000 0.000 0.212 824 L C 2.892 179.737 176.870 -0.043 0.000 1.073 824 L CA 0.897 55.707 54.840 -0.051 0.000 0.753 824 L CB -0.416 41.605 42.059 -0.062 0.000 0.890 824 L HN 0.210 nan 8.230 nan 0.000 0.432 825 I N 0.701 121.245 120.570 -0.044 0.000 2.091 825 I HA -0.326 3.844 4.170 -0.000 0.000 0.239 825 I C 1.783 177.881 176.117 -0.032 0.000 1.061 825 I CA 2.028 63.306 61.300 -0.037 0.000 1.317 825 I CB -0.463 37.515 38.000 -0.036 0.000 1.031 825 I HN 0.473 nan 8.210 nan 0.000 0.401 826 D N -1.410 118.973 120.400 -0.030 0.000 2.328 826 D HA -0.071 4.569 4.640 -0.000 0.000 0.226 826 D C 1.505 177.790 176.300 -0.025 0.000 1.066 826 D CA 0.372 54.357 54.000 -0.026 0.000 0.861 826 D CB -0.244 40.542 40.800 -0.022 0.000 0.912 826 D HN 0.083 nan 8.370 nan 0.000 0.521 827 T N -0.708 113.829 114.554 -0.028 0.000 3.014 827 T HA 0.153 4.503 4.350 -0.000 0.000 0.263 827 T C 1.949 176.632 174.700 -0.028 0.000 1.078 827 T CA 0.835 62.918 62.100 -0.028 0.000 1.135 827 T CB -0.013 68.836 68.868 -0.031 0.000 0.895 827 T HN 0.365 nan 8.240 nan 0.000 0.480 828 A N 0.905 123.707 122.820 -0.029 0.000 1.854 828 A HA 0.031 4.351 4.320 -0.000 0.000 0.214 828 A C 2.401 179.969 177.584 -0.027 0.000 1.192 828 A CA 1.132 53.152 52.037 -0.029 0.000 0.611 828 A CB -0.954 18.028 19.000 -0.030 0.000 0.832 828 A HN 0.304 nan 8.150 nan 0.000 0.442 829 V N 0.219 120.117 119.914 -0.026 0.000 2.220 829 V HA -0.283 3.836 4.120 -0.000 0.000 0.242 829 V C 2.418 178.501 176.094 -0.019 0.000 1.041 829 V CA 2.461 64.747 62.300 -0.024 0.000 0.990 829 V CB -0.856 30.953 31.823 -0.023 0.000 0.634 829 V HN 0.501 nan 8.190 nan 0.000 0.452 830 K N -0.045 120.344 120.400 -0.018 0.000 2.117 830 K HA -0.259 4.061 4.320 -0.000 0.000 0.215 830 K C 2.204 178.794 176.600 -0.016 0.000 1.053 830 K CA 2.431 58.709 56.287 -0.016 0.000 0.935 830 K CB -1.174 31.314 32.500 -0.020 0.000 0.719 830 K HN 0.562 nan 8.250 nan 0.000 0.460 831 T N -0.114 114.428 114.554 -0.020 0.000 2.580 831 T HA -0.237 4.112 4.350 -0.000 0.000 0.265 831 T C 1.694 176.387 174.700 -0.013 0.000 1.063 831 T CA 1.943 64.030 62.100 -0.021 0.000 1.170 831 T CB -0.550 68.304 68.868 -0.024 0.000 0.863 831 T HN 0.440 nan 8.240 nan 0.000 0.418 832 A N 1.402 124.215 122.820 -0.013 0.000 1.849 832 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 832 A C 2.112 179.709 177.584 0.021 0.000 1.202 832 A CA 2.062 54.095 52.037 -0.006 0.000 0.629 832 A CB -0.909 18.076 19.000 -0.025 0.000 0.834 832 A HN 0.635 nan 8.150 nan 0.000 0.447 833 E N -1.092 119.120 120.200 0.019 0.000 2.284 833 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 833 E C 1.834 178.487 176.600 0.088 0.000 1.008 833 E CA 1.621 58.059 56.400 0.062 0.000 0.829 833 E CB -0.290 29.430 29.700 0.034 0.000 0.744 833 E HN 0.686 nan 8.360 nan 0.000 0.491 834 T N -0.873 113.703 114.554 0.037 0.000 3.035 834 T HA 0.011 4.361 4.350 -0.000 0.000 0.259 834 T C 1.764 176.466 174.700 0.004 0.000 1.078 834 T CA 0.753 62.858 62.100 0.009 0.000 1.132 834 T CB 0.131 68.987 68.868 -0.020 0.000 0.900 834 T HN 0.291 nan 8.240 nan 0.000 0.480 835 G N -0.065 108.749 108.800 0.023 0.000 2.598 835 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 835 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 835 G C 1.202 176.133 174.900 0.051 0.000 1.131 835 G CA 0.298 45.407 45.100 0.017 0.000 0.785 835 G HN 0.581 nan 8.290 nan 0.000 0.539 836 Y N 0.219 120.489 120.300 -0.049 0.000 2.479 836 Y HA 0.356 4.906 4.550 -0.000 0.000 0.283 836 Y C 2.251 178.120 175.900 -0.053 0.000 1.109 836 Y CA 0.035 58.105 58.100 -0.051 0.000 1.239 836 Y CB 0.103 38.533 38.460 -0.051 0.000 1.108 836 Y HN 0.105 nan 8.280 nan 0.000 0.548 837 I N 0.503 120.964 120.570 -0.182 0.000 2.202 837 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 837 I C 2.516 178.498 176.117 -0.225 0.000 1.091 837 I CA 1.420 62.557 61.300 -0.271 0.000 1.368 837 I CB -0.383 37.554 38.000 -0.105 0.000 1.058 837 I HN 0.294 nan 8.210 nan 0.000 0.410 838 Q N 1.333 121.048 119.800 -0.141 0.000 2.181 838 Q HA -0.216 4.124 4.340 -0.000 0.000 0.205 838 Q C 2.153 178.075 176.000 -0.130 0.000 0.980 838 Q CA 1.577 57.310 55.803 -0.117 0.000 0.862 838 Q CB 0.010 28.696 28.738 -0.087 0.000 0.905 838 Q HN 0.500 nan 8.270 nan 0.000 0.429 839 R N -0.716 119.689 120.500 -0.158 0.000 2.161 839 R HA 0.054 4.393 4.340 -0.000 0.000 0.213 839 R C 2.173 178.356 176.300 -0.195 0.000 1.055 839 R CA 0.168 56.180 56.100 -0.146 0.000 0.996 839 R CB 0.084 30.317 30.300 -0.111 0.000 0.901 839 R HN 0.067 nan 8.270 nan 0.000 0.456 840 R N 0.930 121.246 120.500 -0.308 0.000 2.090 840 R HA 0.023 4.363 4.340 -0.000 0.000 0.228 840 R C 2.264 178.454 176.300 -0.183 0.000 1.110 840 R CA 0.897 56.817 56.100 -0.299 0.000 0.973 840 R CB -0.627 29.401 30.300 -0.454 0.000 0.869 840 R HN 0.232 nan 8.270 nan 0.000 0.440 841 L N 0.035 121.160 121.223 -0.163 0.000 1.994 841 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 841 L C 2.485 179.305 176.870 -0.084 0.000 1.071 841 L CA 1.083 55.858 54.840 -0.109 0.000 0.745 841 L CB -0.724 41.276 42.059 -0.099 0.000 0.892 841 L HN -0.090 nan 8.230 nan 0.000 0.431 842 V N 0.312 120.175 119.914 -0.085 0.000 2.252 842 V HA -0.390 3.729 4.120 -0.000 0.000 0.249 842 V C 2.632 178.691 176.094 -0.057 0.000 1.056 842 V CA 2.273 64.534 62.300 -0.066 0.000 1.022 842 V CB -0.616 31.168 31.823 -0.064 0.000 0.641 842 V HN 0.478 nan 8.190 nan 0.000 0.445 843 K N 0.085 120.445 120.400 -0.067 0.000 2.074 843 K HA -0.254 4.065 4.320 -0.000 0.000 0.209 843 K C 2.097 178.673 176.600 -0.040 0.000 1.048 843 K CA 1.930 58.185 56.287 -0.053 0.000 0.926 843 K CB -0.357 32.104 32.500 -0.065 0.000 0.713 843 K HN 0.458 nan 8.250 nan 0.000 0.444 844 A N 0.652 123.444 122.820 -0.047 0.000 1.969 844 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 844 A C 1.917 179.490 177.584 -0.019 0.000 1.169 844 A CA 1.140 53.160 52.037 -0.029 0.000 0.635 844 A CB -0.194 18.785 19.000 -0.034 0.000 0.810 844 A HN 0.349 nan 8.150 nan 0.000 0.445 845 L N -1.950 119.259 121.223 -0.024 0.000 2.575 845 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 845 L C 2.051 178.910 176.870 -0.018 0.000 1.075 845 L CA 0.525 55.356 54.840 -0.015 0.000 0.867 845 L CB -0.437 41.616 42.059 -0.010 0.000 1.097 845 L HN 0.429 nan 8.230 nan 0.000 0.485 846 E N 1.681 121.865 120.200 -0.026 0.000 2.312 846 E HA -0.307 4.043 4.350 -0.000 0.000 0.209 846 E C 1.034 177.619 176.600 -0.024 0.000 1.047 846 E CA 1.945 58.328 56.400 -0.028 0.000 0.840 846 E CB 0.094 29.776 29.700 -0.030 0.000 0.738 846 E HN 0.639 nan 8.360 nan 0.000 0.478 847 D N -0.659 119.732 120.400 -0.015 0.000 2.369 847 D HA 0.007 4.647 4.640 -0.000 0.000 0.211 847 D C 0.553 176.853 176.300 -0.000 0.000 1.077 847 D CA -0.171 53.824 54.000 -0.008 0.000 0.842 847 D CB -0.180 40.620 40.800 -0.001 0.000 0.947 847 D HN 0.168 nan 8.370 nan 0.000 0.509 848 I N 1.388 121.954 120.570 -0.006 0.000 2.471 848 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 848 I C 0.420 176.525 176.117 -0.021 0.000 1.079 848 I CA -0.096 61.203 61.300 -0.001 0.000 1.398 848 I CB 0.843 38.843 38.000 -0.001 0.000 1.403 848 I HN 0.012 nan 8.210 nan 0.000 0.530 849 M N 6.517 126.119 119.600 0.004 0.000 2.593 849 M HA 0.535 5.014 4.480 -0.000 0.000 0.290 849 M C -1.719 174.566 176.300 -0.025 0.000 1.244 849 M CA -0.728 54.537 55.300 -0.059 0.000 0.857 849 M CB 2.263 34.804 32.600 -0.099 0.000 1.738 849 M HN 0.185 nan 8.290 nan 0.000 0.461 850 V N 3.596 123.420 119.914 -0.150 0.000 2.465 850 V HA 0.375 4.494 4.120 -0.000 0.000 0.279 850 V C 0.006 175.998 176.094 -0.170 0.000 1.045 850 V CA -0.373 61.859 62.300 -0.114 0.000 0.938 850 V CB 0.928 32.623 31.823 -0.214 0.000 0.986 850 V HN 0.786 nan 8.190 nan 0.000 0.467 851 H N 2.929 121.922 119.070 -0.128 0.000 2.559 851 H HA 0.248 4.803 4.556 -0.000 0.000 0.343 851 H C 0.103 175.350 175.328 -0.135 0.000 1.209 851 H CA -0.398 55.578 56.048 -0.120 0.000 1.287 851 H CB 1.396 31.150 29.762 -0.014 0.000 1.650 851 H HN 0.605 nan 8.280 nan 0.000 0.567 852 Y N 0.482 120.848 120.300 0.110 0.000 2.651 852 Y HA -0.168 4.382 4.550 -0.000 0.000 0.293 852 Y C 1.435 177.375 175.900 0.067 0.000 1.151 852 Y CA 0.868 59.006 58.100 0.064 0.000 1.362 852 Y CB -0.034 38.454 38.460 0.046 0.000 0.973 852 Y HN 0.562 nan 8.280 nan 0.000 0.561 853 D N -2.043 118.478 120.400 0.202 0.000 2.395 853 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 853 D C 0.179 176.545 176.300 0.111 0.000 1.146 853 D CA -0.055 54.031 54.000 0.142 0.000 0.830 853 D CB -0.755 40.119 40.800 0.124 0.000 0.958 853 D HN 0.138 nan 8.370 nan 0.000 0.501 854 N N -0.783 117.972 118.700 0.092 0.000 2.732 854 N HA -0.174 4.565 4.740 -0.000 0.000 0.250 854 N C -0.420 175.145 175.510 0.091 0.000 1.097 854 N CA 1.168 54.265 53.050 0.077 0.000 0.812 854 N CB -1.445 37.092 38.487 0.083 0.000 1.148 854 N HN 0.337 nan 8.380 nan 0.000 0.572 855 T N 0.430 115.034 114.554 0.084 0.000 2.913 855 T HA 0.320 4.670 4.350 -0.000 0.000 0.287 855 T C 0.189 174.913 174.700 0.040 0.000 1.008 855 T CA 0.223 62.347 62.100 0.040 0.000 1.067 855 T CB 1.116 69.973 68.868 -0.017 0.000 0.996 855 T HN -0.016 nan 8.240 nan 0.000 0.513 856 T N 5.400 119.953 114.554 -0.001 0.000 2.756 856 T HA 0.549 4.899 4.350 -0.000 0.000 0.290 856 T C -0.080 174.588 174.700 -0.053 0.000 0.985 856 T CA -0.605 61.505 62.100 0.017 0.000 0.955 856 T CB 0.529 69.436 68.868 0.066 0.000 0.930 856 T HN 0.440 nan 8.240 nan 0.000 0.451 857 R N 2.148 122.633 120.500 -0.024 0.000 2.855 857 R HA 0.515 4.854 4.340 -0.000 0.000 0.266 857 R C -0.192 176.097 176.300 -0.019 0.000 1.034 857 R CA -1.099 54.945 56.100 -0.094 0.000 0.944 857 R CB 1.821 31.963 30.300 -0.263 0.000 1.219 857 R HN 0.789 nan 8.270 nan 0.000 0.474 858 N N -1.835 116.843 118.700 -0.037 0.000 2.518 858 N HA 0.113 4.852 4.740 -0.000 0.000 0.284 858 N C 0.663 176.176 175.510 0.004 0.000 1.230 858 N CA -0.484 52.563 53.050 -0.005 0.000 0.941 858 N CB 1.531 40.011 38.487 -0.013 0.000 1.219 858 N HN 0.525 nan 8.380 nan 0.000 0.560 859 S N 0.426 116.135 115.700 0.016 0.000 2.413 859 S HA -0.230 4.240 4.470 -0.000 0.000 0.237 859 S C 1.647 176.253 174.600 0.011 0.000 1.044 859 S CA 1.152 59.365 58.200 0.021 0.000 1.024 859 S CB -0.853 62.357 63.200 0.016 0.000 0.829 859 S HN 0.581 nan 8.310 nan 0.000 0.475 860 L N 0.712 121.934 121.223 -0.002 0.000 2.395 860 L HA 0.249 4.589 4.340 -0.000 0.000 0.218 860 L C 2.085 178.941 176.870 -0.024 0.000 1.130 860 L CA 0.525 55.361 54.840 -0.006 0.000 0.826 860 L CB -0.836 41.220 42.059 -0.006 0.000 0.941 860 L HN 0.648 nan 8.230 nan 0.000 0.451 861 G N -0.464 108.307 108.800 -0.049 0.000 2.163 861 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.213 861 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.213 861 G C -0.053 174.778 174.900 -0.114 0.000 0.991 861 G CA -0.438 44.602 45.100 -0.101 0.000 0.653 861 G HN 0.288 nan 8.290 nan 0.000 0.518 862 N N 0.214 118.863 118.700 -0.085 0.000 2.518 862 N HA 0.400 5.139 4.740 -0.000 0.000 0.266 862 N C 0.542 175.966 175.510 -0.143 0.000 1.196 862 N CA -0.102 52.894 53.050 -0.090 0.000 0.947 862 N CB 1.613 40.068 38.487 -0.055 0.000 1.098 862 N HN 0.112 nan 8.380 nan 0.000 0.450 863 V N 3.359 123.154 119.914 -0.199 0.000 2.508 863 V HA 0.118 4.238 4.120 -0.000 0.000 0.281 863 V C 1.528 177.449 176.094 -0.287 0.000 1.041 863 V CA 0.069 62.161 62.300 -0.347 0.000 1.016 863 V CB 0.400 31.821 31.823 -0.671 0.000 0.984 863 V HN 0.602 nan 8.190 nan 0.000 0.478 864 I N 2.700 123.134 120.570 -0.228 0.000 3.039 864 I HA 0.152 4.322 4.170 -0.000 0.000 0.270 864 I C 0.747 176.790 176.117 -0.124 0.000 1.150 864 I CA 0.538 61.762 61.300 -0.126 0.000 1.448 864 I CB 0.384 38.350 38.000 -0.057 0.000 1.197 864 I HN 0.593 nan 8.210 nan 0.000 0.450 865 Q N -0.538 119.169 119.800 -0.156 0.000 2.331 865 Q HA 0.320 4.659 4.340 -0.000 0.000 0.272 865 Q C -0.549 175.346 176.000 -0.175 0.000 1.062 865 Q CA -0.568 55.194 55.803 -0.069 0.000 0.806 865 Q CB 2.326 31.088 28.738 0.040 0.000 1.312 865 Q HN 0.027 nan 8.270 nan 0.000 0.431 866 F N 0.851 120.824 119.950 0.038 0.000 2.558 866 F HA 0.193 4.720 4.527 -0.000 0.000 0.298 866 F C 0.863 176.693 175.800 0.051 0.000 1.119 866 F CA 0.704 58.725 58.000 0.036 0.000 1.451 866 F CB 0.617 39.632 39.000 0.025 0.000 1.091 866 F HN 0.375 nan 8.300 nan 0.000 0.563 867 I N -1.094 119.580 120.570 0.174 0.000 2.710 867 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 867 I C -1.327 174.880 176.117 0.151 0.000 1.318 867 I CA -1.194 60.196 61.300 0.149 0.000 1.045 867 I CB 1.286 39.368 38.000 0.137 0.000 1.307 867 I HN -0.228 nan 8.210 nan 0.000 0.424 868 Y N 7.272 127.589 120.300 0.028 0.000 2.721 868 Y HA 0.329 4.879 4.550 -0.000 0.000 0.329 868 Y C 1.278 177.194 175.900 0.026 0.000 1.211 868 Y CA 1.300 59.408 58.100 0.014 0.000 1.512 868 Y CB 0.606 39.066 38.460 0.002 0.000 1.249 868 Y HN 0.837 nan 8.280 nan 0.000 0.549 869 G N 4.073 112.557 108.800 -0.528 0.000 2.186 869 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.266 869 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.266 869 G C 0.464 175.298 174.900 -0.110 0.000 0.982 869 G CA 0.673 45.487 45.100 -0.477 0.000 0.670 869 G HN 0.954 nan 8.290 nan 0.000 0.533 870 E N -1.683 118.496 120.200 -0.035 0.000 3.628 870 E HA -0.264 4.086 4.350 -0.000 0.000 0.309 870 E C 0.767 177.379 176.600 0.019 0.000 0.839 870 E CA 1.358 57.774 56.400 0.027 0.000 1.123 870 E CB -1.004 28.723 29.700 0.045 0.000 1.568 870 E HN 0.901 nan 8.360 nan 0.000 0.440 871 D N -2.140 118.260 120.400 0.001 0.000 2.475 871 D HA 0.136 4.776 4.640 -0.000 0.000 0.306 871 D C 1.151 177.464 176.300 0.021 0.000 1.304 871 D CA 0.592 54.606 54.000 0.024 0.000 0.862 871 D CB -0.351 40.459 40.800 0.018 0.000 1.306 871 D HN 0.277 nan 8.370 nan 0.000 0.494 872 G N 0.657 109.479 108.800 0.035 0.000 2.196 872 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.268 872 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.268 872 G C 0.204 175.127 174.900 0.039 0.000 0.975 872 G CA 0.923 46.066 45.100 0.072 0.000 0.648 872 G HN 0.348 nan 8.290 nan 0.000 0.538 873 M N 1.188 120.780 119.600 -0.014 0.000 2.255 873 M HA 0.415 4.895 4.480 -0.000 0.000 0.336 873 M C 0.257 176.614 176.300 0.095 0.000 1.135 873 M CA -1.762 53.511 55.300 -0.045 0.000 1.145 873 M CB 0.974 33.523 32.600 -0.084 0.000 1.473 873 M HN 0.213 nan 8.290 nan 0.000 0.462 874 D N 1.626 122.089 120.400 0.105 0.000 2.280 874 D HA 0.330 4.970 4.640 -0.000 0.000 0.243 874 D C 0.456 176.880 176.300 0.208 0.000 1.129 874 D CA -0.008 54.123 54.000 0.219 0.000 0.848 874 D CB 1.381 42.319 40.800 0.230 0.000 1.107 874 D HN 0.701 nan 8.370 nan 0.000 0.471 875 A N 3.924 126.862 122.820 0.197 0.000 1.997 875 A HA -0.177 4.143 4.320 -0.000 0.000 0.221 875 A C 1.935 179.593 177.584 0.123 0.000 1.172 875 A CA 2.004 54.125 52.037 0.140 0.000 0.645 875 A CB -0.398 18.690 19.000 0.147 0.000 0.813 875 A HN 0.659 nan 8.150 nan 0.000 0.454 876 A N -2.198 120.676 122.820 0.090 0.000 2.235 876 A HA 0.025 4.345 4.320 -0.000 0.000 0.208 876 A C 1.368 178.811 177.584 -0.235 0.000 1.172 876 A CA 0.725 52.719 52.037 -0.072 0.000 0.786 876 A CB -0.523 18.386 19.000 -0.153 0.000 0.804 876 A HN 0.674 nan 8.150 nan 0.000 0.479 877 H N -1.348 117.753 119.070 0.051 0.000 2.674 877 H HA 0.366 4.921 4.556 -0.000 0.000 0.274 877 H C -0.632 174.734 175.328 0.063 0.000 1.121 877 H CA -0.160 55.916 56.048 0.047 0.000 1.132 877 H CB 0.436 30.195 29.762 -0.004 0.000 1.606 877 H HN 0.343 nan 8.280 nan 0.000 0.558 878 I N 2.244 122.913 120.570 0.165 0.000 2.377 878 I HA 0.157 4.327 4.170 -0.000 0.000 0.293 878 I C -0.202 176.016 176.117 0.169 0.000 0.987 878 I CA -0.343 61.049 61.300 0.154 0.000 1.185 878 I CB 1.732 39.819 38.000 0.145 0.000 1.341 878 I HN 0.027 nan 8.210 nan 0.000 0.455 879 E N 5.414 125.694 120.200 0.134 0.000 2.288 879 E HA 0.325 4.674 4.350 -0.000 0.000 0.268 879 E C -1.073 175.563 176.600 0.060 0.000 0.885 879 E CA -1.192 55.254 56.400 0.076 0.000 0.767 879 E CB 2.523 32.209 29.700 -0.022 0.000 1.220 879 E HN 0.355 nan 8.360 nan 0.000 0.427 880 K N 2.388 122.793 120.400 0.009 0.000 2.447 880 K HA 0.000 4.320 4.320 -0.000 0.000 0.281 880 K C -0.590 175.997 176.600 -0.022 0.000 1.031 880 K CA 0.681 56.948 56.287 -0.033 0.000 1.019 880 K CB 0.475 32.903 32.500 -0.120 0.000 0.918 880 K HN 0.435 nan 8.250 nan 0.000 0.476 881 Q N 1.711 121.516 119.800 0.008 0.000 2.421 881 Q HA 0.168 4.508 4.340 -0.000 0.000 0.280 881 Q C -1.296 174.712 176.000 0.013 0.000 1.085 881 Q CA -0.900 54.918 55.803 0.025 0.000 0.807 881 Q CB 2.193 30.981 28.738 0.083 0.000 1.405 881 Q HN 0.661 nan 8.270 nan 0.000 0.419 882 S N 1.772 117.480 115.700 0.013 0.000 2.465 882 S HA 0.338 4.807 4.470 -0.000 0.000 0.279 882 S C -0.322 174.311 174.600 0.055 0.000 1.201 882 S CA -0.554 57.653 58.200 0.011 0.000 1.053 882 S CB 0.016 63.220 63.200 0.007 0.000 0.953 882 S HN 0.510 nan 8.310 nan 0.000 0.488 883 L N 5.702 126.964 121.223 0.064 0.000 2.389 883 L HA 0.238 4.578 4.340 -0.000 0.000 0.265 883 L C 1.062 177.992 176.870 0.101 0.000 1.167 883 L CA -0.515 54.381 54.840 0.093 0.000 1.045 883 L CB 0.095 42.219 42.059 0.108 0.000 1.351 883 L HN 0.755 nan 8.230 nan 0.000 0.419 884 D N 0.734 121.207 120.400 0.123 0.000 2.126 884 D HA -0.224 4.416 4.640 -0.000 0.000 0.190 884 D C 1.945 178.366 176.300 0.203 0.000 1.001 884 D CA 2.264 56.362 54.000 0.164 0.000 0.841 884 D CB -0.008 40.922 40.800 0.216 0.000 0.949 884 D HN 0.585 nan 8.370 nan 0.000 0.446 885 T N 0.112 114.782 114.554 0.194 0.000 2.882 885 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 885 T C 2.070 176.845 174.700 0.126 0.000 1.104 885 T CA 0.706 62.913 62.100 0.178 0.000 1.118 885 T CB -0.369 68.541 68.868 0.071 0.000 0.831 885 T HN 0.236 nan 8.240 nan 0.000 0.529 886 I N 0.664 121.310 120.570 0.127 0.000 2.852 886 I HA 0.294 4.463 4.170 -0.000 0.000 0.264 886 I C 1.422 177.648 176.117 0.181 0.000 1.179 886 I CA 0.173 61.550 61.300 0.128 0.000 1.480 886 I CB -0.117 37.963 38.000 0.132 0.000 1.111 886 I HN 0.377 nan 8.210 nan 0.000 0.441 887 G N -0.379 108.523 108.800 0.169 0.000 2.601 887 G HA2 0.540 4.500 3.960 -0.000 0.000 0.317 887 G HA3 0.540 4.500 3.960 -0.000 0.000 0.317 887 G C -0.283 174.725 174.900 0.181 0.000 1.246 887 G CA -0.004 45.212 45.100 0.194 0.000 1.012 887 G HN 0.526 nan 8.290 nan 0.000 0.494 888 G N -1.071 107.828 108.800 0.164 0.000 2.814 888 G HA2 0.268 4.228 3.960 -0.000 0.000 0.677 888 G HA3 0.268 4.228 3.960 -0.000 0.000 0.677 888 G C 0.342 175.302 174.900 0.099 0.000 1.429 888 G CA 0.231 45.407 45.100 0.127 0.000 0.868 888 G HN 1.955 nan 8.290 nan 0.000 0.553 889 S N -0.265 115.482 115.700 0.078 0.000 2.606 889 S HA 0.426 4.896 4.470 -0.000 0.000 0.257 889 S C 0.967 175.620 174.600 0.089 0.000 1.327 889 S CA 0.528 58.759 58.200 0.051 0.000 0.984 889 S CB 1.117 64.343 63.200 0.042 0.000 0.941 889 S HN 0.623 nan 8.310 nan 0.000 0.576 890 D N 0.763 121.201 120.400 0.064 0.000 2.183 890 D HA 0.036 4.676 4.640 -0.000 0.000 0.203 890 D C 2.179 178.584 176.300 0.175 0.000 0.969 890 D CA 1.339 55.407 54.000 0.112 0.000 0.842 890 D CB -0.750 40.080 40.800 0.050 0.000 0.957 890 D HN 0.649 nan 8.370 nan 0.000 0.484 891 A N 1.471 124.354 122.820 0.105 0.000 1.902 891 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 891 A C 2.359 179.999 177.584 0.094 0.000 1.181 891 A CA 2.170 54.254 52.037 0.079 0.000 0.623 891 A CB -0.652 18.374 19.000 0.043 0.000 0.818 891 A HN 0.238 nan 8.150 nan 0.000 0.443 892 A N -1.301 121.586 122.820 0.112 0.000 1.902 892 A HA -0.025 4.294 4.320 -0.000 0.000 0.217 892 A C 2.052 179.744 177.584 0.179 0.000 1.181 892 A CA 1.583 53.686 52.037 0.111 0.000 0.623 892 A CB -0.714 18.352 19.000 0.110 0.000 0.818 892 A HN 0.670 nan 8.150 nan 0.000 0.443 893 F N 0.647 120.668 119.950 0.119 0.000 2.069 893 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 893 F C 2.240 178.211 175.800 0.284 0.000 1.113 893 F CA 2.293 60.420 58.000 0.212 0.000 1.214 893 F CB -0.284 38.786 39.000 0.116 0.000 0.978 893 F HN 0.399 nan 8.300 nan 0.000 0.474 894 E N 0.113 120.479 120.200 0.278 0.000 2.077 894 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 894 E C 2.283 178.860 176.600 -0.039 0.000 0.989 894 E CA 1.100 57.591 56.400 0.151 0.000 0.800 894 E CB -0.119 29.667 29.700 0.143 0.000 0.746 894 E HN 0.372 nan 8.360 nan 0.000 0.452 895 K N 0.188 120.560 120.400 -0.048 0.000 2.103 895 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 895 K C 2.327 178.840 176.600 -0.145 0.000 1.048 895 K CA 1.216 57.438 56.287 -0.108 0.000 0.930 895 K CB -0.081 32.377 32.500 -0.071 0.000 0.716 895 K HN 0.025 nan 8.250 nan 0.000 0.444 896 R N -0.566 119.837 120.500 -0.162 0.000 2.075 896 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 896 R C 1.390 177.368 176.300 -0.536 0.000 1.114 896 R CA 1.337 57.223 56.100 -0.356 0.000 0.972 896 R CB 0.060 30.108 30.300 -0.420 0.000 0.869 896 R HN 0.172 nan 8.270 nan 0.000 0.437 897 Y N -0.688 119.451 120.300 -0.268 0.000 2.498 897 Y HA 0.268 4.818 4.550 -0.000 0.000 0.259 897 Y C 0.453 176.288 175.900 -0.108 0.000 1.086 897 Y CA -0.448 57.523 58.100 -0.216 0.000 1.287 897 Y CB 0.242 38.471 38.460 -0.384 0.000 1.146 897 Y HN -0.130 nan 8.280 nan 0.000 0.523 898 R N 1.587 122.058 120.500 -0.047 0.000 2.421 898 R HA 0.304 4.643 4.340 -0.000 0.000 0.305 898 R C -1.455 174.730 176.300 -0.192 0.000 1.039 898 R CA 0.120 56.046 56.100 -0.290 0.000 1.003 898 R CB 0.019 30.047 30.300 -0.453 0.000 0.959 898 R HN -0.073 nan 8.270 nan 0.000 0.427 899 V N 5.439 125.255 119.914 -0.162 0.000 2.349 899 V HA 0.217 4.337 4.120 -0.000 0.000 0.284 899 V C -0.839 175.205 176.094 -0.084 0.000 1.014 899 V CA -0.740 61.507 62.300 -0.090 0.000 0.826 899 V CB 1.393 33.183 31.823 -0.056 0.000 1.009 899 V HN 0.726 nan 8.190 nan 0.000 0.431 900 D N 4.404 124.774 120.400 -0.050 0.000 2.477 900 D HA 0.348 4.988 4.640 -0.000 0.000 0.239 900 D C 1.026 177.311 176.300 -0.024 0.000 1.102 900 D CA -0.323 53.656 54.000 -0.036 0.000 0.901 900 D CB 1.289 42.084 40.800 -0.007 0.000 1.026 900 D HN 0.373 nan 8.370 nan 0.000 0.515 901 L N 2.409 123.614 121.223 -0.029 0.000 2.187 901 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 901 L C 1.694 178.545 176.870 -0.031 0.000 1.100 901 L CA 0.840 55.663 54.840 -0.029 0.000 0.765 901 L CB -0.161 41.882 42.059 -0.027 0.000 0.904 901 L HN 0.452 nan 8.230 nan 0.000 0.437 902 L N -0.285 120.920 121.223 -0.030 0.000 2.718 902 L HA 0.069 4.408 4.340 -0.000 0.000 0.242 902 L C 0.093 176.937 176.870 -0.043 0.000 1.203 902 L CA 0.132 54.953 54.840 -0.032 0.000 1.011 902 L CB -0.846 41.199 42.059 -0.025 0.000 1.250 902 L HN 0.254 nan 8.230 nan 0.000 0.437 903 N N -0.801 117.866 118.700 -0.056 0.000 2.571 903 N HA 0.037 4.777 4.740 -0.000 0.000 0.286 903 N C 1.187 176.627 175.510 -0.116 0.000 1.138 903 N CA 0.002 52.994 53.050 -0.097 0.000 0.859 903 N CB 1.139 39.553 38.487 -0.122 0.000 1.414 903 N HN 0.097 nan 8.380 nan 0.000 0.529 904 T N 0.056 114.546 114.554 -0.107 0.000 2.792 904 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 904 T C 0.793 175.422 174.700 -0.118 0.000 1.059 904 T CA 1.486 63.530 62.100 -0.094 0.000 1.136 904 T CB -0.105 68.715 68.868 -0.080 0.000 0.846 904 T HN 0.457 nan 8.240 nan 0.000 0.489 905 D N 0.526 120.798 120.400 -0.214 0.000 2.269 905 D HA 0.017 4.656 4.640 -0.000 0.000 0.220 905 D C 0.960 177.187 176.300 -0.123 0.000 0.962 905 D CA 0.819 54.672 54.000 -0.246 0.000 0.884 905 D CB -0.214 40.318 40.800 -0.447 0.000 1.023 905 D HN 0.526 nan 8.370 nan 0.000 0.484 906 H N 0.680 119.718 119.070 -0.054 0.000 2.655 906 H HA 0.339 4.895 4.556 -0.000 0.000 0.309 906 H C 0.095 175.379 175.328 -0.074 0.000 1.180 906 H CA 0.004 56.011 56.048 -0.069 0.000 1.087 906 H CB -0.690 29.023 29.762 -0.082 0.000 1.494 906 H HN -0.079 nan 8.280 nan 0.000 0.515 907 T N -0.034 114.533 114.554 0.023 0.000 2.919 907 T HA 0.456 4.806 4.350 -0.000 0.000 0.282 907 T C 0.742 175.430 174.700 -0.020 0.000 1.020 907 T CA -0.894 61.199 62.100 -0.012 0.000 0.994 907 T CB 1.665 70.516 68.868 -0.029 0.000 1.180 907 T HN 0.105 nan 8.240 nan 0.000 0.566 908 L N 2.179 123.383 121.223 -0.032 0.000 2.278 908 L HA 0.259 4.599 4.340 -0.000 0.000 0.287 908 L C 0.747 177.597 176.870 -0.033 0.000 1.072 908 L CA -0.677 54.139 54.840 -0.038 0.000 0.819 908 L CB 0.313 42.344 42.059 -0.046 0.000 1.176 908 L HN 0.657 nan 8.230 nan 0.000 0.435 909 D N 6.747 127.129 120.400 -0.030 0.000 2.488 909 D HA -0.013 4.627 4.640 -0.000 0.000 0.238 909 D C -1.426 174.859 176.300 -0.026 0.000 1.138 909 D CA -1.105 52.880 54.000 -0.026 0.000 0.873 909 D CB 1.533 42.319 40.800 -0.022 0.000 1.183 909 D HN 0.338 nan 8.370 nan 0.000 0.458 910 P HA -0.127 nan 4.420 nan 0.000 0.234 910 P C 0.852 178.140 177.300 -0.020 0.000 1.162 910 P CA 0.689 63.776 63.100 -0.023 0.000 0.759 910 P CB 0.108 31.796 31.700 -0.021 0.000 0.813 911 S N -1.218 114.472 115.700 -0.017 0.000 2.470 911 S HA 0.077 4.547 4.470 -0.000 0.000 0.222 911 S C 1.932 176.525 174.600 -0.011 0.000 1.024 911 S CA -0.043 58.150 58.200 -0.012 0.000 0.931 911 S CB -1.127 62.068 63.200 -0.007 0.000 0.791 911 S HN 0.095 nan 8.310 nan 0.000 0.513 912 L N 0.036 121.248 121.223 -0.018 0.000 2.217 912 L HA 0.297 4.637 4.340 -0.000 0.000 0.211 912 L C 0.480 177.333 176.870 -0.027 0.000 1.107 912 L CA 0.445 55.274 54.840 -0.019 0.000 0.783 912 L CB -0.157 41.883 42.059 -0.032 0.000 0.919 912 L HN 0.283 nan 8.230 nan 0.000 0.442 913 L N -1.304 119.900 121.223 -0.031 0.000 2.354 913 L HA 0.233 4.573 4.340 -0.000 0.000 0.264 913 L C 0.871 177.722 176.870 -0.032 0.000 1.008 913 L CA -0.054 54.763 54.840 -0.038 0.000 0.819 913 L CB 1.815 43.846 42.059 -0.047 0.000 1.339 913 L HN -0.111 nan 8.230 nan 0.000 0.420 914 E N -0.019 120.161 120.200 -0.034 0.000 2.072 914 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 914 E C 0.755 177.339 176.600 -0.027 0.000 0.982 914 E CA 1.192 57.576 56.400 -0.027 0.000 0.803 914 E CB 0.266 29.950 29.700 -0.028 0.000 0.755 914 E HN 0.690 nan 8.360 nan 0.000 0.453 915 S N -0.770 114.911 115.700 -0.032 0.000 2.677 915 S HA 0.218 4.688 4.470 -0.000 0.000 0.246 915 S C 1.341 175.923 174.600 -0.031 0.000 1.005 915 S CA -0.087 58.095 58.200 -0.030 0.000 1.062 915 S CB 0.752 63.933 63.200 -0.032 0.000 0.778 915 S HN 0.291 nan 8.310 nan 0.000 0.461 916 G N 2.565 111.347 108.800 -0.030 0.000 2.408 916 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 916 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 916 G C 1.629 176.513 174.900 -0.027 0.000 1.150 916 G CA 0.899 45.981 45.100 -0.030 0.000 0.776 916 G HN 0.761 nan 8.290 nan 0.000 0.542 917 S N 1.014 116.699 115.700 -0.024 0.000 2.425 917 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 917 S C 1.836 176.423 174.600 -0.022 0.000 1.024 917 S CA 1.212 59.398 58.200 -0.022 0.000 0.951 917 S CB -0.185 63.004 63.200 -0.019 0.000 0.796 917 S HN 0.693 nan 8.310 nan 0.000 0.498 918 E N 0.335 120.522 120.200 -0.021 0.000 2.445 918 E HA 0.287 4.637 4.350 -0.000 0.000 0.189 918 E C 1.242 177.829 176.600 -0.022 0.000 1.069 918 E CA -0.046 56.342 56.400 -0.020 0.000 0.871 918 E CB -0.182 29.507 29.700 -0.018 0.000 0.991 918 E HN 0.589 nan 8.360 nan 0.000 0.481 919 I N 0.526 121.081 120.570 -0.024 0.000 4.181 919 I HA 0.137 4.307 4.170 -0.000 0.000 0.331 919 I C 0.619 176.721 176.117 -0.026 0.000 1.312 919 I CA -0.384 60.901 61.300 -0.026 0.000 1.146 919 I CB 0.781 38.763 38.000 -0.030 0.000 1.074 919 I HN 0.257 nan 8.210 nan 0.000 0.402 920 L N 1.950 123.157 121.223 -0.026 0.000 2.513 920 L HA 0.101 4.440 4.340 -0.000 0.000 0.272 920 L C 1.201 178.056 176.870 -0.025 0.000 1.187 920 L CA 1.263 56.087 54.840 -0.027 0.000 0.895 920 L CB 0.351 42.393 42.059 -0.028 0.000 1.147 920 L HN 0.536 nan 8.230 nan 0.000 0.483 921 G N 2.974 111.758 108.800 -0.026 0.000 2.184 921 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 921 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 921 G C 0.289 175.178 174.900 -0.019 0.000 0.975 921 G CA 0.306 45.393 45.100 -0.023 0.000 0.642 921 G HN 0.771 nan 8.290 nan 0.000 0.536 922 D N 0.778 121.167 120.400 -0.020 0.000 2.342 922 D HA 0.307 4.946 4.640 -0.000 0.000 0.260 922 D C 1.914 178.205 176.300 -0.015 0.000 1.278 922 D CA -0.190 53.800 54.000 -0.017 0.000 0.910 922 D CB 0.235 41.025 40.800 -0.018 0.000 1.079 922 D HN 0.273 nan 8.370 nan 0.000 0.496 923 L N 3.830 125.045 121.223 -0.012 0.000 1.994 923 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 923 L C 2.450 179.315 176.870 -0.008 0.000 1.071 923 L CA 1.091 55.925 54.840 -0.010 0.000 0.745 923 L CB -0.227 41.827 42.059 -0.008 0.000 0.892 923 L HN 0.334 nan 8.230 nan 0.000 0.431 924 K N 0.081 120.477 120.400 -0.008 0.000 2.074 924 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 924 K C 2.080 178.676 176.600 -0.006 0.000 1.048 924 K CA 1.278 57.561 56.287 -0.006 0.000 0.926 924 K CB -0.227 32.269 32.500 -0.007 0.000 0.713 924 K HN 0.251 nan 8.250 nan 0.000 0.444 925 L N 0.705 121.922 121.223 -0.010 0.000 2.093 925 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 925 L C 2.574 179.439 176.870 -0.008 0.000 1.085 925 L CA 0.876 55.709 54.840 -0.011 0.000 0.755 925 L CB -0.371 41.678 42.059 -0.017 0.000 0.904 925 L HN 0.270 nan 8.230 nan 0.000 0.435 926 Q N -0.088 119.706 119.800 -0.009 0.000 2.234 926 Q HA -0.147 4.192 4.340 -0.000 0.000 0.206 926 Q C 2.220 178.221 176.000 0.002 0.000 0.980 926 Q CA 1.179 56.977 55.803 -0.007 0.000 0.869 926 Q CB -0.196 28.535 28.738 -0.010 0.000 0.912 926 Q HN 0.369 nan 8.270 nan 0.000 0.436 927 V N 0.388 120.304 119.914 0.003 0.000 2.548 927 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 927 V C 2.304 178.407 176.094 0.014 0.000 1.055 927 V CA 0.941 63.246 62.300 0.009 0.000 1.065 927 V CB -0.367 31.460 31.823 0.006 0.000 0.681 927 V HN 0.271 nan 8.190 nan 0.000 0.462 928 L N -0.798 120.431 121.223 0.010 0.000 2.072 928 L HA -0.093 4.246 4.340 -0.000 0.000 0.205 928 L C 2.270 179.154 176.870 0.024 0.000 1.079 928 L CA 1.399 56.247 54.840 0.013 0.000 0.752 928 L CB -0.303 41.759 42.059 0.005 0.000 0.906 928 L HN 0.292 nan 8.230 nan 0.000 0.436 929 L N -0.652 120.583 121.223 0.021 0.000 2.362 929 L HA -0.175 4.164 4.340 -0.000 0.000 0.219 929 L C 1.634 178.545 176.870 0.067 0.000 1.134 929 L CA 0.627 55.486 54.840 0.033 0.000 0.807 929 L CB -0.407 41.656 42.059 0.007 0.000 0.927 929 L HN 0.261 nan 8.230 nan 0.000 0.447 930 D N -0.369 120.068 120.400 0.061 0.000 2.305 930 D HA -0.083 4.557 4.640 -0.000 0.000 0.206 930 D C 2.011 178.371 176.300 0.100 0.000 0.974 930 D CA 0.580 54.637 54.000 0.095 0.000 0.871 930 D CB 0.281 41.118 40.800 0.062 0.000 0.947 930 D HN 0.316 nan 8.370 nan 0.000 0.516 931 E N 0.703 120.941 120.200 0.063 0.000 2.072 931 E HA -0.149 4.200 4.350 -0.000 0.000 0.190 931 E C 1.881 178.512 176.600 0.052 0.000 0.982 931 E CA 0.648 57.075 56.400 0.044 0.000 0.803 931 E CB 0.102 29.817 29.700 0.025 0.000 0.755 931 E HN 0.347 nan 8.360 nan 0.000 0.453 932 E N 0.272 120.513 120.200 0.068 0.000 2.051 932 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 932 E C 1.977 178.638 176.600 0.102 0.000 0.991 932 E CA 0.969 57.413 56.400 0.073 0.000 0.799 932 E CB -0.184 29.564 29.700 0.080 0.000 0.748 932 E HN 0.270 nan 8.360 nan 0.000 0.449 933 Y N 1.488 121.802 120.300 0.023 0.000 2.200 933 Y HA -0.118 4.432 4.550 -0.000 0.000 0.290 933 Y C 2.057 177.995 175.900 0.063 0.000 1.137 933 Y CA 1.866 59.991 58.100 0.042 0.000 1.163 933 Y CB 0.035 38.519 38.460 0.041 0.000 0.988 933 Y HN -0.059 nan 8.280 nan 0.000 0.518 934 K N -0.550 119.888 120.400 0.063 0.000 2.147 934 K HA -0.247 4.072 4.320 -0.000 0.000 0.205 934 K C 2.093 178.645 176.600 -0.081 0.000 1.049 934 K CA 1.475 57.749 56.287 -0.022 0.000 0.936 934 K CB -0.163 32.356 32.500 0.032 0.000 0.722 934 K HN 0.246 nan 8.250 nan 0.000 0.446 935 Q N 1.292 121.060 119.800 -0.053 0.000 2.167 935 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 935 Q C 1.765 177.710 176.000 -0.091 0.000 0.970 935 Q CA 1.277 57.040 55.803 -0.066 0.000 0.855 935 Q CB -0.089 28.624 28.738 -0.041 0.000 0.911 935 Q HN 0.287 nan 8.270 nan 0.000 0.438 936 L N -1.041 120.116 121.223 -0.110 0.000 2.056 936 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 936 L C 2.204 179.025 176.870 -0.081 0.000 1.078 936 L CA 0.733 55.514 54.840 -0.098 0.000 0.749 936 L CB -0.398 41.561 42.059 -0.168 0.000 0.901 936 L HN 0.089 nan 8.230 nan 0.000 0.433 937 V N -0.031 119.760 119.914 -0.206 0.000 2.407 937 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 937 V C 2.453 178.414 176.094 -0.222 0.000 1.055 937 V CA 1.684 63.800 62.300 -0.307 0.000 1.049 937 V CB -0.466 31.175 31.823 -0.304 0.000 0.662 937 V HN 0.414 nan 8.190 nan 0.000 0.455 938 K N -0.297 120.017 120.400 -0.142 0.000 2.025 938 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 938 K C 1.964 178.533 176.600 -0.053 0.000 1.049 938 K CA 1.726 57.958 56.287 -0.092 0.000 0.933 938 K CB -0.369 32.079 32.500 -0.087 0.000 0.714 938 K HN 0.379 nan 8.250 nan 0.000 0.438 939 D N 0.421 120.783 120.400 -0.063 0.000 2.126 939 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 939 D C 1.862 178.180 176.300 0.030 0.000 1.001 939 D CA 1.246 55.249 54.000 0.006 0.000 0.841 939 D CB -0.156 40.628 40.800 -0.026 0.000 0.949 939 D HN 0.153 nan 8.370 nan 0.000 0.446 940 R N 0.613 121.049 120.500 -0.107 0.000 2.083 940 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 940 R C 1.893 178.131 176.300 -0.103 0.000 1.137 940 R CA 1.265 57.266 56.100 -0.166 0.000 0.951 940 R CB 0.129 30.137 30.300 -0.486 0.000 0.851 940 R HN 0.017 nan 8.270 nan 0.000 0.434 941 K N 0.429 120.766 120.400 -0.105 0.000 1.991 941 K HA -0.202 4.117 4.320 -0.000 0.000 0.212 941 K C 1.940 178.536 176.600 -0.007 0.000 1.049 941 K CA 1.539 57.787 56.287 -0.064 0.000 0.932 941 K CB -0.966 31.503 32.500 -0.053 0.000 0.717 941 K HN 0.193 nan 8.250 nan 0.000 0.441 942 F N 2.295 122.178 119.950 -0.111 0.000 2.063 942 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 942 F C 2.152 177.881 175.800 -0.118 0.000 1.109 942 F CA 1.532 59.464 58.000 -0.113 0.000 1.212 942 F CB -0.535 38.402 39.000 -0.106 0.000 0.973 942 F HN -0.078 nan 8.300 nan 0.000 0.480 943 L N -0.063 121.113 121.223 -0.077 0.000 2.079 943 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 943 L C 2.560 179.360 176.870 -0.117 0.000 1.081 943 L CA 1.458 56.224 54.840 -0.124 0.000 0.752 943 L CB -0.681 41.454 42.059 0.126 0.000 0.896 943 L HN 0.111 nan 8.230 nan 0.000 0.433 944 R N -0.119 120.349 120.500 -0.054 0.000 2.285 944 R HA -0.125 4.215 4.340 -0.000 0.000 0.213 944 R C 1.806 178.051 176.300 -0.092 0.000 1.068 944 R CA 0.765 56.869 56.100 0.006 0.000 1.004 944 R CB -0.057 30.260 30.300 0.029 0.000 0.873 944 R HN 0.562 nan 8.270 nan 0.000 0.467 945 E N -0.236 119.818 120.200 -0.244 0.000 2.099 945 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 945 E C 1.959 178.296 176.600 -0.439 0.000 0.962 945 E CA 0.513 56.738 56.400 -0.292 0.000 0.826 945 E CB 0.197 29.712 29.700 -0.307 0.000 0.788 945 E HN 0.013 nan 8.360 nan 0.000 0.461 946 V N 0.834 120.312 119.914 -0.728 0.000 2.407 946 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 946 V C 0.730 176.159 176.094 -1.108 0.000 1.055 946 V CA 1.442 63.108 62.300 -1.057 0.000 1.049 946 V CB -0.285 30.609 31.823 -1.549 0.000 0.662 946 V HN 0.149 nan 8.190 nan 0.000 0.455 947 F N -1.024 118.733 119.950 -0.321 0.000 2.389 947 F HA 0.382 4.909 4.527 -0.000 0.000 0.327 947 F C 1.003 176.735 175.800 -0.113 0.000 1.204 947 F CA -0.449 57.425 58.000 -0.210 0.000 1.209 947 F CB 0.562 39.473 39.000 -0.148 0.000 1.460 947 F HN -0.204 nan 8.300 nan 0.000 0.537 948 V N -0.633 119.270 119.914 -0.019 0.000 2.660 948 V HA -0.293 3.827 4.120 -0.000 0.000 0.257 948 V C 2.187 178.329 176.094 0.080 0.000 1.088 948 V CA 1.934 64.246 62.300 0.020 0.000 1.106 948 V CB -0.340 31.461 31.823 -0.037 0.000 0.686 948 V HN 0.634 nan 8.190 nan 0.000 0.481 949 D N 0.780 121.205 120.400 0.041 0.000 2.084 949 D HA -0.050 4.590 4.640 -0.000 0.000 0.194 949 D C 1.891 177.997 176.300 -0.322 0.000 0.990 949 D CA 2.108 56.090 54.000 -0.030 0.000 0.826 949 D CB 0.067 40.881 40.800 0.022 0.000 0.971 949 D HN 0.536 nan 8.370 nan 0.000 0.453 950 G N 0.222 108.774 108.800 -0.413 0.000 2.260 950 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.179 950 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.179 950 G C 0.083 174.733 174.900 -0.416 0.000 1.002 950 G CA 0.396 44.877 45.100 -1.031 0.000 0.677 950 G HN 0.461 nan 8.290 nan 0.000 0.486 951 E N 1.200 121.301 120.200 -0.165 0.000 2.558 951 E HA 0.547 4.897 4.350 -0.000 0.000 0.255 951 E C 1.261 177.824 176.600 -0.061 0.000 0.968 951 E CA 1.107 57.440 56.400 -0.112 0.000 0.939 951 E CB 0.835 30.507 29.700 -0.048 0.000 0.921 951 E HN 0.743 nan 8.360 nan 0.000 0.477 952 A N 5.191 127.917 122.820 -0.155 0.000 2.085 952 A HA 0.087 4.407 4.320 -0.000 0.000 0.208 952 A C 0.226 177.722 177.584 -0.146 0.000 1.191 952 A CA -0.094 51.889 52.037 -0.089 0.000 0.799 952 A CB 0.048 19.021 19.000 -0.045 0.000 0.877 952 A HN 0.621 nan 8.150 nan 0.000 0.473 953 N N 0.130 118.608 118.700 -0.370 0.000 2.408 953 N HA 0.329 5.068 4.740 -0.000 0.000 0.257 953 N C -1.704 173.342 175.510 -0.773 0.000 1.064 953 N CA 0.316 53.128 53.050 -0.397 0.000 0.952 953 N CB 0.476 38.767 38.487 -0.327 0.000 1.093 953 N HN 0.449 nan 8.380 nan 0.000 0.490 954 W N 2.096 123.278 121.300 -0.196 0.000 3.022 954 W HA 0.343 5.003 4.660 -0.000 0.000 0.335 954 W C -2.131 174.361 176.519 -0.046 0.000 1.133 954 W CA -1.798 55.449 57.345 -0.163 0.000 1.219 954 W CB 1.448 30.754 29.460 -0.257 0.000 1.409 954 W HN 0.305 nan 8.180 nan 0.000 0.507 955 P HA 0.148 nan 4.420 nan 0.000 0.266 955 P C -0.752 176.678 177.300 0.218 0.000 1.215 955 P CA 0.686 63.897 63.100 0.185 0.000 0.763 955 P CB 0.817 32.648 31.700 0.219 0.000 0.806 956 L N 5.350 126.693 121.223 0.199 0.000 2.359 956 L HA 0.583 4.923 4.340 -0.000 0.000 0.256 956 L C -2.360 174.630 176.870 0.201 0.000 1.026 956 L CA -2.682 52.300 54.840 0.236 0.000 0.828 956 L CB 3.134 45.389 42.059 0.326 0.000 1.406 956 L HN 0.147 nan 8.230 nan 0.000 0.413 957 P HA 0.215 nan 4.420 nan 0.000 0.279 957 P C -0.838 176.545 177.300 0.138 0.000 1.252 957 P CA -0.135 62.993 63.100 0.048 0.000 0.811 957 P CB 1.570 33.161 31.700 -0.182 0.000 1.035 958 V N -0.145 119.839 119.914 0.118 0.000 3.677 958 V HA -0.205 3.914 4.120 -0.000 0.000 0.479 958 V C 0.580 176.810 176.094 0.226 0.000 0.682 958 V CA 0.161 62.570 62.300 0.182 0.000 1.977 958 V CB -1.874 30.099 31.823 0.250 0.000 2.402 958 V HN 0.865 nan 8.190 nan 0.000 0.501 959 N N 4.653 123.435 118.700 0.135 0.000 2.421 959 N HA 0.237 4.977 4.740 -0.000 0.000 0.260 959 N C 1.099 176.661 175.510 0.086 0.000 1.173 959 N CA -0.008 53.101 53.050 0.098 0.000 0.960 959 N CB 0.659 39.171 38.487 0.042 0.000 1.273 959 N HN 0.757 nan 8.380 nan 0.000 0.497 960 I N 2.501 123.131 120.570 0.100 0.000 2.226 960 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 960 I C 2.493 178.609 176.117 -0.002 0.000 1.100 960 I CA 0.830 62.162 61.300 0.053 0.000 1.374 960 I CB -0.128 37.900 38.000 0.047 0.000 1.057 960 I HN 0.513 nan 8.210 nan 0.000 0.413 961 R N 1.106 121.608 120.500 0.002 0.000 2.127 961 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 961 R C 2.426 178.718 176.300 -0.014 0.000 1.134 961 R CA 1.490 57.573 56.100 -0.029 0.000 0.975 961 R CB -0.149 30.156 30.300 0.008 0.000 0.865 961 R HN 0.262 nan 8.270 nan 0.000 0.447 962 R N 0.195 120.709 120.500 0.023 0.000 2.055 962 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 962 R C 2.336 178.690 176.300 0.088 0.000 1.135 962 R CA 1.390 57.526 56.100 0.059 0.000 0.959 962 R CB -0.176 30.159 30.300 0.059 0.000 0.854 962 R HN 0.247 nan 8.270 nan 0.000 0.431 963 I N 0.914 121.523 120.570 0.064 0.000 2.236 963 I HA -0.354 3.816 4.170 -0.000 0.000 0.249 963 I C 2.206 178.422 176.117 0.165 0.000 1.102 963 I CA 1.550 62.897 61.300 0.079 0.000 1.365 963 I CB -0.342 37.642 38.000 -0.026 0.000 1.051 963 I HN 0.263 nan 8.210 nan 0.000 0.420 964 I N 0.291 120.884 120.570 0.038 0.000 2.202 964 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 964 I C 2.613 178.756 176.117 0.043 0.000 1.091 964 I CA 1.341 62.630 61.300 -0.019 0.000 1.368 964 I CB -0.394 37.399 38.000 -0.344 0.000 1.058 964 I HN 0.269 nan 8.210 nan 0.000 0.410 965 Q N 0.583 120.400 119.800 0.028 0.000 2.234 965 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 965 Q C 1.887 177.910 176.000 0.039 0.000 0.980 965 Q CA 1.298 57.118 55.803 0.027 0.000 0.869 965 Q CB -0.225 28.540 28.738 0.045 0.000 0.912 965 Q HN 0.544 nan 8.270 nan 0.000 0.436 966 N N 0.871 119.693 118.700 0.202 0.000 2.051 966 N HA -0.116 4.624 4.740 -0.000 0.000 0.192 966 N C 1.812 177.393 175.510 0.117 0.000 1.049 966 N CA 1.375 54.592 53.050 0.278 0.000 0.845 966 N CB -0.698 38.098 38.487 0.515 0.000 1.031 966 N HN 0.223 nan 8.380 nan 0.000 0.425 967 A N 1.483 124.491 122.820 0.313 0.000 1.915 967 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 967 A C 2.006 179.687 177.584 0.162 0.000 1.198 967 A CA 1.842 54.022 52.037 0.239 0.000 0.647 967 A CB -0.964 18.310 19.000 0.456 0.000 0.825 967 A HN 0.460 nan 8.150 nan 0.000 0.456 968 Q N -1.581 118.267 119.800 0.079 0.000 2.541 968 Q HA -0.137 4.203 4.340 -0.000 0.000 0.215 968 Q C 1.878 177.837 176.000 -0.068 0.000 0.977 968 Q CA 1.295 57.112 55.803 0.023 0.000 0.934 968 Q CB 0.045 28.816 28.738 0.055 0.000 0.988 968 Q HN 0.925 nan 8.270 nan 0.000 0.521 969 Q N -1.597 118.101 119.800 -0.170 0.000 2.422 969 Q HA 0.052 4.392 4.340 -0.000 0.000 0.255 969 Q C 1.498 177.232 176.000 -0.444 0.000 0.864 969 Q CA 0.874 56.507 55.803 -0.284 0.000 0.968 969 Q CB 0.074 28.538 28.738 -0.457 0.000 1.130 969 Q HN -0.005 nan 8.270 nan 0.000 0.556 970 T N 0.269 114.552 114.554 -0.453 0.000 2.777 970 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 970 T C 0.212 174.352 174.700 -0.933 0.000 1.040 970 T CA 1.255 62.897 62.100 -0.763 0.000 1.141 970 T CB -0.188 68.005 68.868 -1.125 0.000 0.868 970 T HN 0.297 nan 8.240 nan 0.000 0.444 971 F N 0.861 120.563 119.950 -0.413 0.000 2.660 971 F HA 0.288 4.814 4.527 -0.000 0.000 0.297 971 F C 0.461 176.175 175.800 -0.144 0.000 1.132 971 F CA -0.745 57.098 58.000 -0.262 0.000 1.372 971 F CB -0.647 38.231 39.000 -0.202 0.000 1.003 971 F HN 0.157 nan 8.300 nan 0.000 0.524 972 H N 0.910 119.972 119.070 -0.013 0.000 2.284 972 H HA -0.182 4.374 4.556 -0.000 0.000 0.322 972 H C 0.392 175.714 175.328 -0.010 0.000 0.973 972 H CA 0.413 56.450 56.048 -0.019 0.000 1.076 972 H CB -1.295 28.453 29.762 -0.024 0.000 1.596 972 H HN 0.348 nan 8.280 nan 0.000 0.361 973 I N 3.301 123.894 120.570 0.037 0.000 2.421 973 I HA -0.038 4.131 4.170 -0.000 0.000 0.291 973 I C 0.909 176.929 176.117 -0.162 0.000 1.089 973 I CA -0.071 61.194 61.300 -0.057 0.000 1.354 973 I CB 0.494 38.428 38.000 -0.110 0.000 1.413 973 I HN 0.243 nan 8.210 nan 0.000 0.513 974 D N 6.179 126.523 120.400 -0.093 0.000 2.312 974 D HA 0.008 4.647 4.640 -0.000 0.000 0.252 974 D C 0.527 176.757 176.300 -0.118 0.000 1.150 974 D CA -0.293 53.669 54.000 -0.064 0.000 0.870 974 D CB 0.906 41.707 40.800 0.002 0.000 1.153 974 D HN 0.493 nan 8.370 nan 0.000 0.457 975 H N 1.485 120.579 119.070 0.040 0.000 2.572 975 H HA 0.005 4.561 4.556 -0.000 0.000 0.278 975 H C 1.220 176.561 175.328 0.021 0.000 1.050 975 H CA 0.670 56.737 56.048 0.033 0.000 1.168 975 H CB 0.040 29.823 29.762 0.036 0.000 1.316 975 H HN 0.627 nan 8.280 nan 0.000 0.610 976 T N -2.670 111.936 114.554 0.086 0.000 3.045 976 T HA 0.083 4.433 4.350 -0.000 0.000 0.239 976 T C 1.023 175.741 174.700 0.031 0.000 1.008 976 T CA -0.168 61.966 62.100 0.057 0.000 1.143 976 T CB 0.766 69.660 68.868 0.043 0.000 0.894 976 T HN 0.023 nan 8.240 nan 0.000 0.451 977 K N 2.612 123.022 120.400 0.016 0.000 2.237 977 K HA 0.401 4.720 4.320 -0.000 0.000 0.270 977 K C -2.597 174.003 176.600 0.001 0.000 1.015 977 K CA -1.815 54.475 56.287 0.005 0.000 0.949 977 K CB 0.494 32.994 32.500 -0.000 0.000 0.976 977 K HN 0.172 nan 8.250 nan 0.000 0.472 978 P HA -0.044 nan 4.420 nan 0.000 0.271 978 P C -0.537 176.753 177.300 -0.018 0.000 1.233 978 P CA -0.143 62.952 63.100 -0.010 0.000 0.789 978 P CB 0.688 32.380 31.700 -0.013 0.000 0.951 979 S N 0.772 116.457 115.700 -0.025 0.000 2.610 979 S HA 0.143 4.612 4.470 -0.000 0.000 0.273 979 S C 0.525 175.099 174.600 -0.043 0.000 1.274 979 S CA -0.579 57.599 58.200 -0.036 0.000 1.023 979 S CB 0.159 63.333 63.200 -0.043 0.000 0.962 979 S HN 0.537 nan 8.310 nan 0.000 0.523 980 D N 3.726 124.098 120.400 -0.046 0.000 2.460 980 D HA 0.114 4.754 4.640 -0.000 0.000 0.229 980 D C 0.137 176.398 176.300 -0.065 0.000 1.170 980 D CA -0.186 53.786 54.000 -0.046 0.000 0.827 980 D CB -0.219 40.561 40.800 -0.033 0.000 0.973 980 D HN 0.332 nan 8.370 nan 0.000 0.496 981 L N 0.538 121.705 121.223 -0.093 0.000 2.375 981 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 981 L C 0.587 177.380 176.870 -0.128 0.000 1.107 981 L CA -0.123 54.629 54.840 -0.147 0.000 0.806 981 L CB 1.669 43.590 42.059 -0.230 0.000 1.146 981 L HN -0.131 nan 8.230 nan 0.000 0.447 982 T N 2.508 116.982 114.554 -0.134 0.000 2.943 982 T HA 0.348 4.698 4.350 -0.000 0.000 0.284 982 T C 1.468 176.095 174.700 -0.121 0.000 1.015 982 T CA -0.515 61.526 62.100 -0.100 0.000 1.042 982 T CB 1.526 70.352 68.868 -0.071 0.000 1.055 982 T HN 0.403 nan 8.240 nan 0.000 0.500 983 I N 1.080 121.597 120.570 -0.088 0.000 2.286 983 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 983 I C 2.547 178.620 176.117 -0.072 0.000 1.115 983 I CA 1.266 62.517 61.300 -0.083 0.000 1.392 983 I CB -0.166 37.801 38.000 -0.055 0.000 1.065 983 I HN 0.636 nan 8.210 nan 0.000 0.418 984 K N 0.478 120.845 120.400 -0.055 0.000 2.147 984 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 984 K C 1.611 178.187 176.600 -0.041 0.000 1.049 984 K CA 1.254 57.520 56.287 -0.035 0.000 0.936 984 K CB -0.148 32.338 32.500 -0.023 0.000 0.722 984 K HN 0.312 nan 8.250 nan 0.000 0.446 985 D N 0.959 121.310 120.400 -0.081 0.000 2.092 985 D HA -0.157 4.482 4.640 -0.000 0.000 0.193 985 D C 1.951 178.172 176.300 -0.132 0.000 0.994 985 D CA 1.243 55.181 54.000 -0.102 0.000 0.828 985 D CB -0.170 40.513 40.800 -0.194 0.000 0.963 985 D HN 0.176 nan 8.370 nan 0.000 0.450 986 I N 0.333 120.743 120.570 -0.268 0.000 2.162 986 I HA -0.201 3.969 4.170 -0.000 0.000 0.238 986 I C 2.599 178.738 176.117 0.037 0.000 1.076 986 I CA 0.514 61.675 61.300 -0.232 0.000 1.353 986 I CB -0.404 37.420 38.000 -0.293 0.000 1.063 986 I HN -0.153 nan 8.210 nan 0.000 0.408 987 V N 1.230 121.145 119.914 0.002 0.000 2.287 987 V HA -0.279 3.840 4.120 -0.000 0.000 0.248 987 V C 2.372 178.495 176.094 0.048 0.000 1.053 987 V CA 1.858 64.178 62.300 0.033 0.000 1.027 987 V CB -0.533 31.299 31.823 0.014 0.000 0.646 987 V HN 0.368 nan 8.190 nan 0.000 0.447 988 L N -0.145 121.102 121.223 0.040 0.000 2.179 988 L HA 0.016 4.355 4.340 -0.000 0.000 0.208 988 L C 2.608 179.523 176.870 0.074 0.000 1.096 988 L CA 1.354 56.221 54.840 0.044 0.000 0.779 988 L CB -1.131 40.945 42.059 0.030 0.000 0.922 988 L HN 0.480 nan 8.230 nan 0.000 0.443 989 G N -0.034 108.844 108.800 0.129 0.000 2.433 989 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.216 989 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.216 989 G C 1.543 176.533 174.900 0.150 0.000 1.186 989 G CA 0.805 46.023 45.100 0.197 0.000 0.779 989 G HN 0.174 nan 8.290 nan 0.000 0.543 990 V N 0.479 120.506 119.914 0.188 0.000 2.759 990 V HA -0.061 4.058 4.120 -0.000 0.000 0.256 990 V C 2.598 178.719 176.094 0.045 0.000 1.080 990 V CA 1.917 64.283 62.300 0.109 0.000 1.101 990 V CB -0.213 31.695 31.823 0.143 0.000 0.698 990 V HN 0.361 nan 8.190 nan 0.000 0.477 991 K N -0.108 120.319 120.400 0.046 0.000 2.167 991 K HA -0.162 4.158 4.320 -0.000 0.000 0.203 991 K C 1.843 178.446 176.600 0.005 0.000 1.052 991 K CA 1.380 57.677 56.287 0.017 0.000 0.956 991 K CB -0.008 32.503 32.500 0.019 0.000 0.735 991 K HN 0.486 nan 8.250 nan 0.000 0.451 992 D N 0.220 120.630 120.400 0.016 0.000 2.183 992 D HA -0.133 4.506 4.640 -0.000 0.000 0.205 992 D C 1.810 178.102 176.300 -0.012 0.000 0.962 992 D CA 0.389 54.392 54.000 0.005 0.000 0.849 992 D CB 0.098 40.908 40.800 0.018 0.000 0.978 992 D HN 0.073 nan 8.370 nan 0.000 0.488 993 L N 0.924 122.138 121.223 -0.016 0.000 2.013 993 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 993 L C 2.023 178.855 176.870 -0.063 0.000 1.073 993 L CA 1.914 56.728 54.840 -0.042 0.000 0.753 993 L CB -1.029 41.000 42.059 -0.051 0.000 0.890 993 L HN 0.112 nan 8.230 nan 0.000 0.432 994 Q N -0.596 119.170 119.800 -0.057 0.000 2.152 994 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 994 Q C 1.791 177.745 176.000 -0.076 0.000 0.985 994 Q CA 1.748 57.507 55.803 -0.073 0.000 0.863 994 Q CB -0.188 28.517 28.738 -0.056 0.000 0.904 994 Q HN 0.560 nan 8.270 nan 0.000 0.422 995 E N 0.060 120.229 120.200 -0.051 0.000 2.516 995 E HA -0.057 4.293 4.350 -0.000 0.000 0.199 995 E C 0.681 177.255 176.600 -0.044 0.000 1.069 995 E CA 0.441 56.817 56.400 -0.040 0.000 0.876 995 E CB 0.032 29.717 29.700 -0.025 0.000 0.843 995 E HN 0.357 nan 8.360 nan 0.000 0.530 996 N N -0.021 118.641 118.700 -0.063 0.000 2.197 996 N HA 0.086 4.826 4.740 -0.000 0.000 0.201 996 N C 0.180 175.637 175.510 -0.088 0.000 1.148 996 N CA 0.015 53.031 53.050 -0.056 0.000 0.883 996 N CB 0.895 39.356 38.487 -0.044 0.000 1.012 996 N HN 0.134 nan 8.380 nan 0.000 0.507 997 L N 2.431 123.533 121.223 -0.202 0.000 2.375 997 L HA 0.309 4.649 4.340 -0.000 0.000 0.276 997 L C -0.165 176.621 176.870 -0.140 0.000 1.162 997 L CA -0.019 54.538 54.840 -0.472 0.000 0.991 997 L CB -0.023 41.405 42.059 -1.053 0.000 1.315 997 L HN -0.171 nan 8.230 nan 0.000 0.431 998 L N 2.638 123.935 121.223 0.122 0.000 2.325 998 L HA 0.375 4.715 4.340 -0.000 0.000 0.279 998 L C 0.766 177.788 176.870 0.253 0.000 1.054 998 L CA -0.367 54.572 54.840 0.164 0.000 0.804 998 L CB 2.050 44.159 42.059 0.083 0.000 1.200 998 L HN 0.277 nan 8.230 nan 0.000 0.436 999 V N 3.064 123.082 119.914 0.174 0.000 3.350 999 V HA 0.252 4.372 4.120 -0.000 0.000 0.246 999 V C 0.250 176.391 176.094 0.079 0.000 1.363 999 V CA 0.306 62.677 62.300 0.118 0.000 1.162 999 V CB 1.019 32.922 31.823 0.132 0.000 0.947 999 V HN 0.469 nan 8.190 nan 0.000 0.454 1000 L N -0.328 120.942 121.223 0.079 0.000 2.370 1000 L HA 0.550 4.889 4.340 -0.000 0.000 0.266 1000 L C 0.631 177.533 176.870 0.052 0.000 1.002 1000 L CA -0.397 54.482 54.840 0.065 0.000 0.818 1000 L CB 2.636 44.735 42.059 0.067 0.000 1.325 1000 L HN -0.032 nan 8.230 nan 0.000 0.418 1001 R N 0.687 121.215 120.500 0.046 0.000 2.369 1001 R HA 0.181 4.520 4.340 -0.000 0.000 0.210 1001 R C 0.810 177.128 176.300 0.029 0.000 0.881 1001 R CA 0.041 56.162 56.100 0.034 0.000 1.031 1001 R CB 0.619 30.936 30.300 0.029 0.000 1.184 1001 R HN 0.777 nan 8.270 nan 0.000 0.581 1002 G N 1.878 110.699 108.800 0.035 0.000 2.228 1002 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.242 1002 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.242 1002 G C 0.288 175.200 174.900 0.021 0.000 0.987 1002 G CA 0.228 45.346 45.100 0.030 0.000 0.893 1002 G HN 0.217 nan 8.290 nan 0.000 0.418 1003 K N 1.513 121.923 120.400 0.017 0.000 2.525 1003 K HA -0.044 4.276 4.320 -0.000 0.000 0.192 1003 K C 1.192 177.797 176.600 0.009 0.000 1.029 1003 K CA 0.420 56.714 56.287 0.011 0.000 1.029 1003 K CB -0.105 32.400 32.500 0.009 0.000 0.814 1003 K HN 0.779 nan 8.250 nan 0.000 0.503 1004 N N -0.540 118.166 118.700 0.011 0.000 2.413 1004 N HA -0.057 4.682 4.740 -0.000 0.000 0.266 1004 N C 0.664 176.176 175.510 0.004 0.000 1.238 1004 N CA -0.415 52.640 53.050 0.007 0.000 0.972 1004 N CB 0.740 39.232 38.487 0.010 0.000 1.210 1004 N HN -0.136 nan 8.380 nan 0.000 0.547 1005 E N 0.179 120.379 120.200 -0.001 0.000 2.106 1005 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 1005 E C 1.402 177.997 176.600 -0.008 0.000 0.984 1005 E CA 1.161 57.557 56.400 -0.006 0.000 0.806 1005 E CB -0.296 29.398 29.700 -0.009 0.000 0.750 1005 E HN 0.699 nan 8.360 nan 0.000 0.458 1006 I N 0.279 120.845 120.570 -0.008 0.000 2.127 1006 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 1006 I C 1.837 177.951 176.117 -0.005 0.000 1.075 1006 I CA 0.839 62.131 61.300 -0.014 0.000 1.334 1006 I CB -0.259 37.733 38.000 -0.013 0.000 1.040 1006 I HN 0.221 nan 8.210 nan 0.000 0.405 1007 I N 0.208 120.784 120.570 0.011 0.000 2.361 1007 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 1007 I C 2.520 178.649 176.117 0.019 0.000 1.133 1007 I CA 1.338 62.653 61.300 0.024 0.000 1.413 1007 I CB -1.425 36.595 38.000 0.035 0.000 1.073 1007 I HN 0.362 nan 8.210 nan 0.000 0.424 1008 Q N 0.651 120.457 119.800 0.010 0.000 2.170 1008 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 1008 Q C 1.968 177.967 176.000 -0.001 0.000 0.976 1008 Q CA 1.050 56.856 55.803 0.005 0.000 0.858 1008 Q CB -0.379 28.359 28.738 -0.001 0.000 0.907 1008 Q HN 0.567 nan 8.270 nan 0.000 0.433 1009 N N 0.266 118.962 118.700 -0.008 0.000 2.171 1009 N HA -0.067 4.672 4.740 -0.000 0.000 0.184 1009 N C 1.665 177.169 175.510 -0.010 0.000 1.021 1009 N CA 1.141 54.181 53.050 -0.017 0.000 0.854 1009 N CB -0.075 38.396 38.487 -0.027 0.000 0.994 1009 N HN 0.189 nan 8.380 nan 0.000 0.426 1010 A N 1.366 124.186 122.820 -0.001 0.000 1.908 1010 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 1010 A C 2.240 179.842 177.584 0.031 0.000 1.181 1010 A CA 1.913 53.960 52.037 0.015 0.000 0.627 1010 A CB -0.733 18.287 19.000 0.034 0.000 0.818 1010 A HN 0.313 nan 8.150 nan 0.000 0.445 1011 Q N 0.050 119.869 119.800 0.032 0.000 2.084 1011 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 1011 Q C 2.087 178.105 176.000 0.031 0.000 0.978 1011 Q CA 2.090 57.918 55.803 0.042 0.000 0.844 1011 Q CB -0.368 28.392 28.738 0.036 0.000 0.898 1011 Q HN 0.656 nan 8.270 nan 0.000 0.426 1012 R N 0.059 120.563 120.500 0.007 0.000 2.115 1012 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 1012 R C 1.682 177.975 176.300 -0.012 0.000 1.111 1012 R CA 1.225 57.318 56.100 -0.011 0.000 0.976 1012 R CB -0.098 30.183 30.300 -0.033 0.000 0.870 1012 R HN 0.441 nan 8.270 nan 0.000 0.445 1013 D N 0.566 120.964 120.400 -0.002 0.000 2.091 1013 D HA -0.065 4.574 4.640 -0.000 0.000 0.199 1013 D C 1.859 178.180 176.300 0.036 0.000 0.980 1013 D CA 1.315 55.316 54.000 0.002 0.000 0.831 1013 D CB -0.135 40.667 40.800 0.002 0.000 0.987 1013 D HN 0.153 nan 8.370 nan 0.000 0.460 1014 A N 0.656 123.510 122.820 0.056 0.000 1.986 1014 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 1014 A C 2.304 179.965 177.584 0.130 0.000 1.171 1014 A CA 1.213 53.302 52.037 0.087 0.000 0.640 1014 A CB -0.483 18.576 19.000 0.098 0.000 0.811 1014 A HN 0.187 nan 8.150 nan 0.000 0.451 1015 V N -0.719 119.270 119.914 0.125 0.000 3.647 1015 V HA -0.053 4.067 4.120 -0.000 0.000 0.279 1015 V C 2.212 178.391 176.094 0.141 0.000 1.314 1015 V CA 1.353 63.757 62.300 0.173 0.000 1.125 1015 V CB -0.505 31.385 31.823 0.112 0.000 0.907 1015 V HN 0.621 nan 8.190 nan 0.000 0.434 1016 T N 1.019 115.616 114.554 0.070 0.000 2.570 1016 T HA -0.269 4.080 4.350 -0.000 0.000 0.266 1016 T C 1.874 176.617 174.700 0.072 0.000 1.071 1016 T CA 2.290 64.393 62.100 0.005 0.000 1.172 1016 T CB -0.329 68.507 68.868 -0.055 0.000 0.864 1016 T HN 0.314 nan 8.240 nan 0.000 0.421 1017 L N 0.428 121.747 121.223 0.159 0.000 2.012 1017 L HA -0.024 4.315 4.340 -0.000 0.000 0.210 1017 L C 2.079 179.067 176.870 0.197 0.000 1.073 1017 L CA 1.675 56.638 54.840 0.206 0.000 0.748 1017 L CB -0.951 41.227 42.059 0.199 0.000 0.891 1017 L HN 0.279 nan 8.230 nan 0.000 0.431 1018 F N -0.554 119.460 119.950 0.108 0.000 2.126 1018 F HA -0.274 4.253 4.527 -0.000 0.000 0.299 1018 F C 2.499 178.332 175.800 0.055 0.000 1.096 1018 F CA 1.771 59.838 58.000 0.110 0.000 1.255 1018 F CB -0.785 38.316 39.000 0.168 0.000 0.997 1018 F HN 0.157 nan 8.300 nan 0.000 0.479 1019 C N -0.673 118.592 119.300 -0.058 0.000 2.432 1019 C HA -0.165 4.295 4.460 -0.000 0.000 0.280 1019 C C 3.092 177.987 174.990 -0.159 0.000 1.353 1019 C CA 0.984 59.902 59.018 -0.167 0.000 1.766 1019 C CB -1.941 25.759 27.740 -0.066 0.000 1.924 1019 C HN 0.705 nan 8.230 nan 0.000 0.509 1020 C N -0.139 119.114 119.300 -0.078 0.000 2.425 1020 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 1020 C C 2.557 177.517 174.990 -0.050 0.000 1.280 1020 C CA 1.108 60.107 59.018 -0.031 0.000 1.744 1020 C CB -1.428 26.355 27.740 0.072 0.000 1.989 1020 C HN 0.673 nan 8.230 nan 0.000 0.491 1021 L N 0.303 121.464 121.223 -0.102 0.000 2.027 1021 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 1021 L C 2.234 179.001 176.870 -0.171 0.000 1.074 1021 L CA 1.651 56.427 54.840 -0.107 0.000 0.745 1021 L CB -0.877 41.100 42.059 -0.136 0.000 0.898 1021 L HN 0.207 nan 8.230 nan 0.000 0.433 1022 L N 0.068 121.072 121.223 -0.365 0.000 1.971 1022 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 1022 L C 2.753 179.567 176.870 -0.092 0.000 1.072 1022 L CA 1.963 56.621 54.840 -0.303 0.000 0.758 1022 L CB -0.616 41.196 42.059 -0.412 0.000 0.889 1022 L HN 0.256 nan 8.230 nan 0.000 0.433 1023 R N -0.881 119.574 120.500 -0.075 0.000 2.159 1023 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 1023 R C 2.155 178.494 176.300 0.064 0.000 1.131 1023 R CA 1.346 57.444 56.100 -0.003 0.000 0.982 1023 R CB -0.513 29.771 30.300 -0.028 0.000 0.868 1023 R HN 0.635 nan 8.270 nan 0.000 0.453 1024 S N -0.269 115.473 115.700 0.071 0.000 2.501 1024 S HA 0.110 4.580 4.470 -0.000 0.000 0.220 1024 S C 1.722 176.494 174.600 0.287 0.000 0.997 1024 S CA -0.006 58.317 58.200 0.205 0.000 0.919 1024 S CB 0.261 63.543 63.200 0.136 0.000 0.778 1024 S HN 0.125 nan 8.310 nan 0.000 0.523 1025 R N 0.966 121.578 120.500 0.185 0.000 2.156 1025 R HA 0.386 4.726 4.340 -0.000 0.000 0.207 1025 R C 1.156 177.637 176.300 0.302 0.000 1.040 1025 R CA 0.476 56.725 56.100 0.248 0.000 1.013 1025 R CB -0.539 29.866 30.300 0.174 0.000 0.931 1025 R HN 0.432 nan 8.270 nan 0.000 0.465 1026 L N 1.210 122.559 121.223 0.210 0.000 2.928 1026 L HA 0.400 4.740 4.340 -0.000 0.000 0.246 1026 L C 0.301 177.273 176.870 0.169 0.000 1.239 1026 L CA -0.522 54.458 54.840 0.233 0.000 1.035 1026 L CB 0.255 42.443 42.059 0.215 0.000 1.360 1026 L HN -0.106 nan 8.230 nan 0.000 0.529 1027 A N -0.037 122.869 122.820 0.144 0.000 2.477 1027 A HA 0.241 4.560 4.320 -0.000 0.000 0.246 1027 A C 1.506 179.108 177.584 0.030 0.000 1.078 1027 A CA 0.055 52.172 52.037 0.134 0.000 0.770 1027 A CB 0.383 19.564 19.000 0.301 0.000 1.011 1027 A HN 0.326 nan 8.150 nan 0.000 0.494 1028 T N 1.520 116.087 114.554 0.022 0.000 2.594 1028 T HA -0.288 4.062 4.350 -0.000 0.000 0.266 1028 T C 2.070 176.715 174.700 -0.091 0.000 1.070 1028 T CA 2.264 64.342 62.100 -0.036 0.000 1.166 1028 T CB -0.292 68.558 68.868 -0.031 0.000 0.862 1028 T HN 0.745 nan 8.240 nan 0.000 0.436 1029 R N 0.493 120.929 120.500 -0.108 0.000 2.105 1029 R HA -0.079 4.261 4.340 -0.000 0.000 0.239 1029 R C 2.682 178.838 176.300 -0.240 0.000 1.135 1029 R CA 1.218 57.221 56.100 -0.161 0.000 0.967 1029 R CB -0.082 30.111 30.300 -0.178 0.000 0.861 1029 R HN 0.253 nan 8.270 nan 0.000 0.442 1030 R N 0.065 120.372 120.500 -0.322 0.000 2.070 1030 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 1030 R C 2.284 178.210 176.300 -0.623 0.000 1.137 1030 R CA 1.744 57.531 56.100 -0.522 0.000 0.945 1030 R CB -0.654 29.324 30.300 -0.536 0.000 0.845 1030 R HN 0.157 nan 8.270 nan 0.000 0.430 1031 V N 1.909 121.621 119.914 -0.336 0.000 2.231 1031 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 1031 V C 2.543 178.596 176.094 -0.068 0.000 1.054 1031 V CA 1.953 64.204 62.300 -0.082 0.000 1.015 1031 V CB -0.597 31.261 31.823 0.058 0.000 0.638 1031 V HN 0.262 nan 8.190 nan 0.000 0.444 1032 L N -0.703 120.462 121.223 -0.098 0.000 2.005 1032 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 1032 L C 2.628 179.464 176.870 -0.056 0.000 1.072 1032 L CA 2.200 56.999 54.840 -0.067 0.000 0.744 1032 L CB -0.610 41.401 42.059 -0.080 0.000 0.895 1032 L HN 0.363 nan 8.230 nan 0.000 0.433 1033 Q N -0.420 119.318 119.800 -0.103 0.000 2.269 1033 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 1033 Q C 1.914 177.867 176.000 -0.077 0.000 0.946 1033 Q CA 0.899 56.653 55.803 -0.081 0.000 0.877 1033 Q CB 0.397 29.072 28.738 -0.104 0.000 0.963 1033 Q HN 0.480 nan 8.270 nan 0.000 0.472 1034 E N -1.063 119.040 120.200 -0.162 0.000 2.094 1034 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 1034 E C 1.639 178.299 176.600 0.101 0.000 0.950 1034 E CA 0.524 56.847 56.400 -0.128 0.000 0.842 1034 E CB 0.017 29.527 29.700 -0.316 0.000 0.816 1034 E HN 0.435 nan 8.360 nan 0.000 0.465 1035 Y N 0.049 120.395 120.300 0.077 0.000 2.286 1035 Y HA 0.089 4.638 4.550 -0.000 0.000 0.293 1035 Y C 0.674 176.675 175.900 0.169 0.000 1.124 1035 Y CA -0.223 57.958 58.100 0.135 0.000 1.178 1035 Y CB 0.378 38.906 38.460 0.113 0.000 1.010 1035 Y HN -0.144 nan 8.280 nan 0.000 0.536 1036 R N 0.253 120.895 120.500 0.236 0.000 3.651 1036 R HA -0.180 4.160 4.340 -0.000 0.000 0.292 1036 R C -0.582 175.760 176.300 0.070 0.000 1.161 1036 R CA 0.316 56.493 56.100 0.129 0.000 0.787 1036 R CB -2.465 27.925 30.300 0.151 0.000 1.249 1036 R HN 0.362 nan 8.270 nan 0.000 0.476 1037 L N 1.106 122.409 121.223 0.134 0.000 2.483 1037 L HA 0.081 4.421 4.340 -0.000 0.000 0.276 1037 L C 1.700 178.584 176.870 0.023 0.000 1.213 1037 L CA 0.770 55.671 54.840 0.103 0.000 0.843 1037 L CB 0.393 42.593 42.059 0.234 0.000 1.107 1037 L HN 0.195 nan 8.230 nan 0.000 0.487 1038 T N -1.383 113.154 114.554 -0.029 0.000 2.912 1038 T HA 0.190 4.540 4.350 -0.000 0.000 0.280 1038 T C 0.758 175.434 174.700 -0.039 0.000 0.989 1038 T CA -0.861 61.205 62.100 -0.057 0.000 0.995 1038 T CB 1.677 70.492 68.868 -0.089 0.000 1.077 1038 T HN 0.565 nan 8.240 nan 0.000 0.531 1039 K N 0.127 120.501 120.400 -0.042 0.000 2.281 1039 K HA -0.159 4.161 4.320 -0.000 0.000 0.203 1039 K C 2.160 178.776 176.600 0.026 0.000 1.046 1039 K CA 1.760 58.046 56.287 -0.002 0.000 0.938 1039 K CB -0.373 32.116 32.500 -0.018 0.000 0.737 1039 K HN 0.771 nan 8.250 nan 0.000 0.458 1040 Q N -0.757 118.989 119.800 -0.090 0.000 2.089 1040 Q HA 0.013 4.353 4.340 -0.000 0.000 0.195 1040 Q C 1.961 177.689 176.000 -0.454 0.000 0.963 1040 Q CA 1.078 56.768 55.803 -0.189 0.000 0.834 1040 Q CB -0.243 28.373 28.738 -0.203 0.000 0.906 1040 Q HN 0.363 nan 8.270 nan 0.000 0.452 1041 A N 0.622 122.993 122.820 -0.748 0.000 1.877 1041 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 1041 A C 1.888 179.393 177.584 -0.131 0.000 1.186 1041 A CA 1.389 52.863 52.037 -0.940 0.000 0.620 1041 A CB -1.093 17.563 19.000 -0.573 0.000 0.822 1041 A HN 0.620 nan 8.150 nan 0.000 0.443 1042 F N 1.369 121.245 119.950 -0.123 0.000 2.095 1042 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 1042 F C 1.635 177.462 175.800 0.044 0.000 1.104 1042 F CA 2.373 60.377 58.000 0.005 0.000 1.232 1042 F CB -0.399 38.599 39.000 -0.003 0.000 0.987 1042 F HN 0.276 nan 8.300 nan 0.000 0.475 1043 D N -1.063 119.411 120.400 0.123 0.000 2.263 1043 D HA -0.209 4.431 4.640 -0.000 0.000 0.208 1043 D C 1.596 177.921 176.300 0.043 0.000 0.971 1043 D CA 1.275 55.304 54.000 0.048 0.000 0.867 1043 D CB -0.497 40.382 40.800 0.131 0.000 0.929 1043 D HN 0.579 nan 8.370 nan 0.000 0.492 1044 W N 0.508 121.748 121.300 -0.100 0.000 2.443 1044 W HA -0.078 4.582 4.660 -0.000 0.000 0.296 1044 W C 1.870 178.368 176.519 -0.035 0.000 1.202 1044 W CA 0.687 58.033 57.345 0.001 0.000 1.312 1044 W CB -0.297 29.253 29.460 0.149 0.000 1.120 1044 W HN -0.241 nan 8.180 nan 0.000 0.536 1045 V N 1.707 121.668 119.914 0.079 0.000 2.332 1045 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 1045 V C 2.331 178.256 176.094 -0.281 0.000 1.055 1045 V CA 2.045 64.265 62.300 -0.133 0.000 1.038 1045 V CB -1.164 30.621 31.823 -0.064 0.000 0.651 1045 V HN 0.246 nan 8.190 nan 0.000 0.450 1046 L N 0.835 121.855 121.223 -0.338 0.000 1.976 1046 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 1046 L C 2.779 179.529 176.870 -0.200 0.000 1.071 1046 L CA 2.086 56.750 54.840 -0.293 0.000 0.746 1046 L CB -1.038 40.818 42.059 -0.339 0.000 0.890 1046 L HN 0.567 nan 8.230 nan 0.000 0.432 1047 S N -0.727 114.861 115.700 -0.187 0.000 2.419 1047 S HA -0.170 4.299 4.470 -0.000 0.000 0.233 1047 S C 1.763 176.240 174.600 -0.205 0.000 1.016 1047 S CA 1.148 59.258 58.200 -0.150 0.000 0.974 1047 S CB -0.481 62.657 63.200 -0.102 0.000 0.786 1047 S HN 0.397 nan 8.310 nan 0.000 0.492 1048 N N 1.723 120.214 118.700 -0.348 0.000 2.135 1048 N HA 0.112 4.852 4.740 -0.000 0.000 0.186 1048 N C 1.723 177.117 175.510 -0.193 0.000 1.027 1048 N CA 1.451 54.269 53.050 -0.387 0.000 0.849 1048 N CB -0.353 37.707 38.487 -0.712 0.000 1.002 1048 N HN 0.467 nan 8.380 nan 0.000 0.425 1049 I N 1.375 121.860 120.570 -0.142 0.000 2.208 1049 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 1049 I C 2.428 178.569 176.117 0.041 0.000 1.097 1049 I CA 1.078 62.377 61.300 -0.001 0.000 1.363 1049 I CB -0.214 37.809 38.000 0.037 0.000 1.051 1049 I HN 0.253 nan 8.210 nan 0.000 0.413 1050 E N 1.138 121.328 120.200 -0.017 0.000 2.110 1050 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 1050 E C 2.239 178.862 176.600 0.038 0.000 0.988 1050 E CA 1.238 57.642 56.400 0.007 0.000 0.804 1050 E CB 0.055 29.735 29.700 -0.033 0.000 0.745 1050 E HN 0.500 nan 8.360 nan 0.000 0.458 1051 A N 0.920 123.731 122.820 -0.016 0.000 1.855 1051 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 1051 A C 2.099 179.677 177.584 -0.010 0.000 1.191 1051 A CA 1.436 53.460 52.037 -0.022 0.000 0.613 1051 A CB -0.583 18.382 19.000 -0.059 0.000 0.829 1051 A HN 0.278 nan 8.150 nan 0.000 0.442 1052 Q N -1.751 118.044 119.800 -0.009 0.000 2.096 1052 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 1052 Q C 1.915 177.904 176.000 -0.018 0.000 0.982 1052 Q CA 1.754 57.556 55.803 -0.002 0.000 0.850 1052 Q CB -0.330 28.420 28.738 0.019 0.000 0.901 1052 Q HN 0.714 nan 8.270 nan 0.000 0.422 1053 F N 1.244 121.116 119.950 -0.131 0.000 2.046 1053 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 1053 F C 1.880 177.573 175.800 -0.178 0.000 1.123 1053 F CA 1.512 59.387 58.000 -0.209 0.000 1.199 1053 F CB -0.257 38.602 39.000 -0.235 0.000 0.972 1053 F HN -0.026 nan 8.300 nan 0.000 0.474 1054 L N -0.085 121.160 121.223 0.037 0.000 2.187 1054 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 1054 L C 2.520 179.265 176.870 -0.209 0.000 1.100 1054 L CA 1.414 56.209 54.840 -0.074 0.000 0.765 1054 L CB -0.709 41.357 42.059 0.012 0.000 0.904 1054 L HN 0.150 nan 8.230 nan 0.000 0.437 1055 R N -0.547 119.837 120.500 -0.194 0.000 2.307 1055 R HA -0.028 4.311 4.340 -0.000 0.000 0.199 1055 R C 1.828 177.856 176.300 -0.453 0.000 1.000 1055 R CA 0.612 56.573 56.100 -0.232 0.000 1.023 1055 R CB 0.172 30.397 30.300 -0.126 0.000 0.908 1055 R HN 0.197 nan 8.270 nan 0.000 0.473 1056 S N -0.430 114.990 115.700 -0.467 0.000 2.535 1056 S HA 0.114 4.584 4.470 -0.000 0.000 0.214 1056 S C 0.303 174.644 174.600 -0.432 0.000 0.980 1056 S CA -0.292 57.587 58.200 -0.535 0.000 0.907 1056 S CB 0.679 63.628 63.200 -0.419 0.000 0.790 1056 S HN -0.029 nan 8.310 nan 0.000 0.510 1057 V N 2.125 121.795 119.914 -0.407 0.000 2.811 1057 V HA 0.158 4.278 4.120 -0.000 0.000 0.302 1057 V C 0.637 176.678 176.094 -0.087 0.000 1.063 1057 V CA -0.371 61.770 62.300 -0.264 0.000 1.088 1057 V CB 1.259 32.935 31.823 -0.244 0.000 0.982 1057 V HN 0.163 nan 8.190 nan 0.000 0.485 1058 V N 4.908 124.832 119.914 0.017 0.000 2.686 1058 V HA 0.210 4.330 4.120 -0.000 0.000 0.295 1058 V C 0.262 176.430 176.094 0.123 0.000 1.055 1058 V CA -0.168 62.203 62.300 0.118 0.000 1.050 1058 V CB 0.540 32.439 31.823 0.127 0.000 0.984 1058 V HN 0.897 nan 8.190 nan 0.000 0.482 1059 H N 6.171 125.177 119.070 -0.107 0.000 2.502 1059 H HA 0.320 4.876 4.556 -0.000 0.000 0.327 1059 H C -2.344 172.859 175.328 -0.208 0.000 1.099 1059 H CA -2.096 53.874 56.048 -0.129 0.000 1.323 1059 H CB 1.227 30.932 29.762 -0.096 0.000 1.450 1059 H HN 0.519 nan 8.280 nan 0.000 0.502 1060 P HA -0.048 nan 4.420 nan 0.000 0.266 1060 P C 0.922 177.985 177.300 -0.394 0.000 1.195 1060 P CA 1.202 64.010 63.100 -0.487 0.000 0.768 1060 P CB 0.633 31.630 31.700 -1.172 0.000 0.838 1061 G N 1.162 109.754 108.800 -0.346 0.000 2.201 1061 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.212 1061 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.212 1061 G C 0.068 174.866 174.900 -0.171 0.000 0.994 1061 G CA -0.496 44.476 45.100 -0.214 0.000 0.644 1061 G HN 0.498 nan 8.290 nan 0.000 0.508 1062 E N 1.350 121.434 120.200 -0.193 0.000 2.328 1062 E HA 0.215 4.565 4.350 -0.000 0.000 0.265 1062 E C 0.778 177.262 176.600 -0.192 0.000 1.057 1062 E CA -0.012 56.273 56.400 -0.192 0.000 0.916 1062 E CB 0.349 29.904 29.700 -0.243 0.000 0.993 1062 E HN 0.177 nan 8.360 nan 0.000 0.446 1063 M N 4.358 123.871 119.600 -0.145 0.000 3.442 1063 M HA 0.006 4.486 4.480 -0.000 0.000 0.232 1063 M C 1.184 177.414 176.300 -0.116 0.000 1.508 1063 M CA -0.158 55.072 55.300 -0.117 0.000 1.647 1063 M CB -0.687 31.860 32.600 -0.089 0.000 1.126 1063 M HN 0.227 nan 8.290 nan 0.000 0.557 1064 V N 1.574 121.390 119.914 -0.165 0.000 2.759 1064 V HA -0.160 3.959 4.120 -0.000 0.000 0.256 1064 V C 2.082 178.165 176.094 -0.018 0.000 1.080 1064 V CA 2.271 64.476 62.300 -0.158 0.000 1.101 1064 V CB -0.561 30.988 31.823 -0.455 0.000 0.698 1064 V HN 0.842 nan 8.190 nan 0.000 0.477 1065 G N -0.681 108.103 108.800 -0.028 0.000 2.404 1065 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 1065 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 1065 G C 1.662 176.555 174.900 -0.011 0.000 1.189 1065 G CA 1.052 46.151 45.100 -0.000 0.000 0.789 1065 G HN 0.348 nan 8.290 nan 0.000 0.533 1066 V N 0.819 120.713 119.914 -0.033 0.000 2.332 1066 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 1066 V C 2.754 178.819 176.094 -0.049 0.000 1.055 1066 V CA 1.682 63.957 62.300 -0.043 0.000 1.038 1066 V CB -0.516 31.278 31.823 -0.049 0.000 0.651 1066 V HN 0.320 nan 8.190 nan 0.000 0.450 1067 L N 0.599 121.794 121.223 -0.046 0.000 2.013 1067 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 1067 L C 2.457 179.258 176.870 -0.115 0.000 1.073 1067 L CA 2.563 57.364 54.840 -0.066 0.000 0.753 1067 L CB -0.817 41.240 42.059 -0.003 0.000 0.890 1067 L HN 0.265 nan 8.230 nan 0.000 0.432 1068 A N -0.956 121.873 122.820 0.015 0.000 1.873 1068 A HA -0.076 4.243 4.320 -0.000 0.000 0.215 1068 A C 2.447 180.004 177.584 -0.045 0.000 1.186 1068 A CA 1.759 53.825 52.037 0.047 0.000 0.616 1068 A CB -1.220 17.881 19.000 0.169 0.000 0.823 1068 A HN 0.561 nan 8.150 nan 0.000 0.442 1069 A N -0.394 122.404 122.820 -0.037 0.000 1.892 1069 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 1069 A C 2.109 179.649 177.584 -0.074 0.000 1.188 1069 A CA 1.865 53.870 52.037 -0.054 0.000 0.631 1069 A CB -0.729 18.238 19.000 -0.053 0.000 0.822 1069 A HN 0.668 nan 8.150 nan 0.000 0.447 1070 Q N -0.441 119.312 119.800 -0.078 0.000 2.291 1070 Q HA -0.057 4.283 4.340 -0.000 0.000 0.205 1070 Q C 2.173 178.130 176.000 -0.071 0.000 0.970 1070 Q CA 1.343 57.109 55.803 -0.062 0.000 0.876 1070 Q CB -0.116 28.602 28.738 -0.032 0.000 0.935 1070 Q HN 0.635 nan 8.270 nan 0.000 0.455 1071 S N 0.289 115.888 115.700 -0.169 0.000 2.461 1071 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 1071 S C 1.763 176.288 174.600 -0.125 0.000 1.005 1071 S CA 0.598 58.664 58.200 -0.224 0.000 0.942 1071 S CB 0.144 62.957 63.200 -0.645 0.000 0.776 1071 S HN 0.298 nan 8.310 nan 0.000 0.514 1072 I N 0.592 121.104 120.570 -0.097 0.000 2.927 1072 I HA 0.098 4.267 4.170 -0.000 0.000 0.268 1072 I C 2.571 178.641 176.117 -0.078 0.000 1.153 1072 I CA 0.650 61.908 61.300 -0.070 0.000 1.459 1072 I CB -0.538 37.431 38.000 -0.051 0.000 1.149 1072 I HN 0.319 nan 8.210 nan 0.000 0.443 1073 G N 0.435 109.185 108.800 -0.083 0.000 2.394 1073 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 1073 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 1073 G C 1.521 176.358 174.900 -0.105 0.000 1.165 1073 G CA 0.344 45.391 45.100 -0.089 0.000 0.784 1073 G HN 0.248 nan 8.290 nan 0.000 0.535 1074 E N 1.150 121.274 120.200 -0.127 0.000 2.033 1074 E HA -0.132 4.217 4.350 -0.000 0.000 0.199 1074 E C 0.194 176.691 176.600 -0.171 0.000 1.011 1074 E CA 1.713 57.985 56.400 -0.213 0.000 0.815 1074 E CB -0.835 28.637 29.700 -0.379 0.000 0.755 1074 E HN 0.354 nan 8.360 nan 0.000 0.451 1075 P HA -0.069 nan 4.420 nan 0.000 0.223 1075 P C 0.897 178.149 177.300 -0.079 0.000 1.151 1075 P CA 1.480 64.526 63.100 -0.089 0.000 0.787 1075 P CB -0.146 31.515 31.700 -0.066 0.000 0.788 1076 A N -0.403 122.369 122.820 -0.080 0.000 2.239 1076 A HA 0.012 4.331 4.320 -0.000 0.000 0.209 1076 A C 1.482 179.029 177.584 -0.062 0.000 1.171 1076 A CA 1.081 53.078 52.037 -0.066 0.000 0.768 1076 A CB -1.197 17.764 19.000 -0.065 0.000 0.790 1076 A HN 0.156 nan 8.150 nan 0.000 0.478 1077 T N 0.188 114.696 114.554 -0.076 0.000 3.258 1077 T HA 0.257 4.606 4.350 -0.000 0.000 0.259 1077 T C 0.349 175.007 174.700 -0.070 0.000 0.963 1077 T CA -0.058 61.999 62.100 -0.072 0.000 0.919 1077 T CB 0.045 68.859 68.868 -0.090 0.000 1.110 1077 T HN 0.412 nan 8.240 nan 0.000 0.550 1078 Q N 0.337 120.102 119.800 -0.059 0.000 1.932 1078 Q HA 0.265 4.604 4.340 -0.000 0.000 0.191 1078 Q C -0.257 175.721 176.000 -0.038 0.000 0.777 1078 Q CA 0.022 55.796 55.803 -0.050 0.000 0.953 1078 Q CB 0.660 29.366 28.738 -0.054 0.000 1.231 1078 Q HN 0.524 nan 8.270 nan 0.000 0.418 1079 M N 1.635 121.213 119.600 -0.037 0.000 2.289 1079 M HA 0.327 4.807 4.480 -0.000 0.000 0.354 1079 M C -0.496 175.790 176.300 -0.024 0.000 1.210 1079 M CA 0.245 55.528 55.300 -0.030 0.000 1.174 1079 M CB 0.770 33.350 32.600 -0.032 0.000 1.297 1079 M HN -0.247 nan 8.290 nan 0.000 0.423 1080 T N 4.335 118.877 114.554 -0.020 0.000 2.824 1080 T HA 0.853 5.203 4.350 -0.000 0.000 0.282 1080 T C -0.338 174.355 174.700 -0.010 0.000 0.993 1080 T CA -0.456 61.634 62.100 -0.016 0.000 0.967 1080 T CB 1.791 70.649 68.868 -0.017 0.000 0.960 1080 T HN 0.552 nan 8.240 nan 0.000 0.441 1093 K N 2.363 122.778 120.400 0.025 0.000 2.291 1093 K HA 0.414 4.734 4.320 -0.000 0.000 0.242 1093 K C -0.665 175.950 176.600 0.026 0.000 1.098 1093 K CA -0.287 56.012 56.287 0.020 0.000 1.036 1093 K CB 1.205 33.714 32.500 0.015 0.000 1.655 1093 K HN -0.121 nan 8.250 nan 0.000 0.432 1094 V N -0.090 119.839 119.914 0.025 0.000 3.130 1094 V HA 0.315 4.434 4.120 -0.000 0.000 0.308 1094 V C -0.434 175.674 176.094 0.024 0.000 1.413 1094 V CA -1.062 61.256 62.300 0.030 0.000 1.053 1094 V CB 2.368 34.217 31.823 0.043 0.000 1.075 1094 V HN 0.423 nan 8.190 nan 0.000 0.465 1095 T N 1.919 116.489 114.554 0.027 0.000 2.767 1095 T HA 0.703 5.053 4.350 -0.000 0.000 0.284 1095 T C -0.078 174.636 174.700 0.023 0.000 0.973 1095 T CA -0.145 61.968 62.100 0.022 0.000 0.996 1095 T CB 1.180 70.061 68.868 0.023 0.000 0.927 1095 T HN 1.014 nan 8.240 nan 0.000 0.456 1096 S N 1.978 117.686 115.700 0.014 0.000 3.132 1096 S HA 0.942 5.412 4.470 -0.000 0.000 0.322 1096 S C 0.642 175.242 174.600 -0.001 0.000 1.124 1096 S CA -0.389 57.816 58.200 0.007 0.000 0.906 1096 S CB 0.571 63.773 63.200 0.002 0.000 1.349 1096 S HN 1.306 nan 8.310 nan 0.000 0.686 1097 G N 0.003 108.796 108.800 -0.012 0.000 2.668 1097 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.266 1097 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.266 1097 G C 0.751 175.644 174.900 -0.012 0.000 1.328 1097 G CA 0.142 45.233 45.100 -0.016 0.000 0.911 1097 G HN 1.498 nan 8.290 nan 0.000 0.567 1098 V N 2.433 122.339 119.914 -0.012 0.000 2.250 1098 V HA -0.205 3.914 4.120 -0.000 0.000 0.250 1098 V C 0.937 177.033 176.094 0.005 0.000 1.060 1098 V CA 3.194 65.490 62.300 -0.006 0.000 1.030 1098 V CB -1.695 30.126 31.823 -0.003 0.000 0.643 1098 V HN 0.801 nan 8.190 nan 0.000 0.445 1099 P HA -0.243 nan 4.420 nan 0.000 0.217 1099 P C 1.574 178.885 177.300 0.019 0.000 1.151 1099 P CA 1.950 65.058 63.100 0.012 0.000 0.849 1099 P CB -0.058 31.646 31.700 0.007 0.000 0.787 1100 R N 0.275 120.786 120.500 0.018 0.000 2.062 1100 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 1100 R C 2.387 178.705 176.300 0.031 0.000 1.128 1100 R CA 0.978 57.096 56.100 0.030 0.000 0.960 1100 R CB -1.910 28.406 30.300 0.027 0.000 0.855 1100 R HN 0.085 nan 8.270 nan 0.000 0.432 1101 L N 1.289 122.517 121.223 0.009 0.000 2.081 1101 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 1101 L C 2.096 178.971 176.870 0.008 0.000 1.080 1101 L CA 2.071 56.909 54.840 -0.004 0.000 0.754 1101 L CB -0.573 41.471 42.059 -0.024 0.000 0.893 1101 L HN 0.278 nan 8.230 nan 0.000 0.433 1102 K N -0.722 119.689 120.400 0.019 0.000 2.148 1102 K HA -0.210 4.110 4.320 -0.000 0.000 0.204 1102 K C 2.107 178.734 176.600 0.045 0.000 1.050 1102 K CA 1.478 57.783 56.287 0.030 0.000 0.942 1102 K CB -0.048 32.478 32.500 0.044 0.000 0.724 1102 K HN 0.504 nan 8.250 nan 0.000 0.446 1103 E N 0.530 120.763 120.200 0.056 0.000 2.077 1103 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 1103 E C 1.938 178.622 176.600 0.140 0.000 0.989 1103 E CA 1.162 57.609 56.400 0.078 0.000 0.800 1103 E CB 0.025 29.770 29.700 0.074 0.000 0.746 1103 E HN 0.276 nan 8.360 nan 0.000 0.452 1104 I N 0.767 121.428 120.570 0.152 0.000 2.090 1104 I HA -0.325 3.845 4.170 -0.000 0.000 0.236 1104 I C 2.314 178.511 176.117 0.132 0.000 1.064 1104 I CA 1.110 62.528 61.300 0.197 0.000 1.324 1104 I CB -0.363 37.653 38.000 0.027 0.000 1.044 1104 I HN 0.176 nan 8.210 nan 0.000 0.399 1105 L N 0.591 121.836 121.223 0.036 0.000 2.189 1105 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 1105 L C 1.981 178.855 176.870 0.008 0.000 1.097 1105 L CA 1.129 55.968 54.840 -0.002 0.000 0.764 1105 L CB -0.871 41.161 42.059 -0.045 0.000 0.900 1105 L HN 0.392 nan 8.230 nan 0.000 0.436 1106 N N -0.424 118.298 118.700 0.036 0.000 2.446 1106 N HA -0.013 4.726 4.740 -0.000 0.000 0.179 1106 N C 0.845 176.392 175.510 0.062 0.000 1.054 1106 N CA 0.450 53.506 53.050 0.011 0.000 0.905 1106 N CB 0.456 38.956 38.487 0.020 0.000 0.973 1106 N HN 0.019 nan 8.380 nan 0.000 0.448 1107 V N 0.329 120.344 119.914 0.167 0.000 5.487 1107 V HA -0.275 3.845 4.120 -0.000 0.000 0.302 1107 V C 0.449 176.580 176.094 0.060 0.000 0.511 1107 V CA 0.403 62.827 62.300 0.207 0.000 0.684 1107 V CB -2.740 29.215 31.823 0.219 0.000 0.458 1107 V HN 0.413 nan 8.190 nan 0.000 1.195 1108 A N 0.365 123.208 122.820 0.039 0.000 2.492 1108 A HA 0.461 4.781 4.320 -0.000 0.000 0.254 1108 A C 1.052 178.599 177.584 -0.062 0.000 1.091 1108 A CA 0.616 52.652 52.037 -0.001 0.000 0.768 1108 A CB 0.457 19.465 19.000 0.012 0.000 1.028 1108 A HN 0.546 nan 8.150 nan 0.000 0.498 1109 K N 1.791 122.161 120.400 -0.050 0.000 2.525 1109 K HA 0.029 4.349 4.320 -0.000 0.000 0.192 1109 K C -0.133 176.428 176.600 -0.065 0.000 1.029 1109 K CA 0.869 57.112 56.287 -0.074 0.000 1.029 1109 K CB 0.031 32.504 32.500 -0.046 0.000 0.814 1109 K HN 0.679 nan 8.250 nan 0.000 0.503 1110 N N 1.020 119.693 118.700 -0.046 0.000 2.757 1110 N HA 0.105 4.845 4.740 -0.000 0.000 0.296 1110 N C -0.678 174.814 175.510 -0.030 0.000 1.874 1110 N CA -0.169 52.859 53.050 -0.036 0.000 0.885 1110 N CB 0.493 38.967 38.487 -0.022 0.000 1.242 1110 N HN 0.156 nan 8.380 nan 0.000 0.488 1111 M N 0.478 120.052 119.600 -0.043 0.000 2.234 1111 M HA -0.080 4.400 4.480 -0.000 0.000 0.326 1111 M C 1.628 177.919 176.300 -0.015 0.000 1.077 1111 M CA 0.901 56.186 55.300 -0.025 0.000 1.052 1111 M CB 1.042 33.621 32.600 -0.035 0.000 1.607 1111 M HN 0.118 nan 8.290 nan 0.000 0.445 1112 K N 0.591 120.989 120.400 -0.003 0.000 2.167 1112 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 1112 K C 0.391 176.990 176.600 -0.001 0.000 1.052 1112 K CA 1.017 57.303 56.287 -0.002 0.000 0.956 1112 K CB 0.275 32.777 32.500 0.004 0.000 0.735 1112 K HN 0.640 nan 8.250 nan 0.000 0.451 1113 T N 2.472 117.028 114.554 0.003 0.000 3.514 1113 T HA 0.221 4.571 4.350 -0.000 0.000 0.259 1113 T C -2.730 171.971 174.700 0.002 0.000 1.466 1113 T CA -1.272 60.832 62.100 0.006 0.000 1.562 1113 T CB 1.104 69.983 68.868 0.017 0.000 0.924 1113 T HN -0.106 nan 8.240 nan 0.000 0.678 1114 P HA 0.207 nan 4.420 nan 0.000 0.260 1114 P C -0.306 176.985 177.300 -0.016 0.000 1.207 1114 P CA 0.293 63.378 63.100 -0.025 0.000 0.780 1114 P CB 0.397 32.074 31.700 -0.037 0.000 0.789 1115 S N 3.549 119.241 115.700 -0.014 0.000 2.536 1115 S HA 0.703 5.173 4.470 -0.000 0.000 0.298 1115 S C -1.241 173.353 174.600 -0.011 0.000 1.083 1115 S CA -0.650 57.553 58.200 0.004 0.000 0.995 1115 S CB 0.486 63.707 63.200 0.034 0.000 1.058 1115 S HN 0.179 nan 8.310 nan 0.000 0.488 1116 L N 3.179 124.409 121.223 0.011 0.000 2.362 1116 L HA 0.638 4.978 4.340 -0.000 0.000 0.275 1116 L C -0.541 176.364 176.870 0.057 0.000 0.998 1116 L CA 0.133 54.983 54.840 0.018 0.000 0.820 1116 L CB 2.049 44.116 42.059 0.013 0.000 1.270 1116 L HN 0.731 nan 8.230 nan 0.000 0.415 1117 T N 4.144 118.765 114.554 0.112 0.000 2.791 1117 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 1117 T C -0.788 173.946 174.700 0.057 0.000 0.999 1117 T CA -0.395 61.760 62.100 0.091 0.000 0.952 1117 T CB 1.066 70.067 68.868 0.220 0.000 0.938 1117 T HN 0.484 nan 8.240 nan 0.000 0.444 1118 V N 3.046 122.923 119.914 -0.062 0.000 2.448 1118 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 1118 V C -1.484 174.530 176.094 -0.134 0.000 1.025 1118 V CA -0.831 61.472 62.300 0.004 0.000 0.859 1118 V CB 0.722 32.570 31.823 0.043 0.000 0.988 1118 V HN 0.707 nan 8.190 nan 0.000 0.431 1119 Y N 4.409 124.769 120.300 0.101 0.000 2.403 1119 Y HA 0.740 5.290 4.550 -0.000 0.000 0.323 1119 Y C 0.168 176.120 175.900 0.085 0.000 1.226 1119 Y CA -0.986 57.170 58.100 0.095 0.000 1.235 1119 Y CB 1.283 39.802 38.460 0.100 0.000 1.248 1119 Y HN 0.540 nan 8.280 nan 0.000 0.489 1120 L N 0.981 122.343 121.223 0.233 0.000 2.399 1120 L HA 0.226 4.566 4.340 -0.000 0.000 0.265 1120 L C 0.382 177.357 176.870 0.174 0.000 1.089 1120 L CA -0.852 54.095 54.840 0.177 0.000 0.802 1120 L CB 0.604 42.767 42.059 0.173 0.000 1.180 1120 L HN 0.627 nan 8.230 nan 0.000 0.454 1121 E N 2.980 123.273 120.200 0.155 0.000 2.534 1121 E HA -0.104 4.246 4.350 -0.000 0.000 0.264 1121 E C -1.648 175.021 176.600 0.114 0.000 0.981 1121 E CA -0.828 55.655 56.400 0.139 0.000 0.948 1121 E CB 0.691 30.494 29.700 0.172 0.000 0.934 1121 E HN 0.380 nan 8.360 nan 0.000 0.459 1122 P HA -0.220 nan 4.420 nan 0.000 0.219 1122 P C 0.779 178.052 177.300 -0.045 0.000 1.159 1122 P CA 2.163 65.270 63.100 0.013 0.000 0.944 1122 P CB -0.052 31.645 31.700 -0.004 0.000 0.792 1123 G N -2.520 106.189 108.800 -0.153 0.000 3.279 1123 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.230 1123 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.230 1123 G C 0.169 174.673 174.900 -0.661 0.000 1.230 1123 G CA 0.215 45.096 45.100 -0.366 0.000 0.891 1123 G HN 0.434 nan 8.290 nan 0.000 0.518 1124 H N -0.723 118.382 119.070 0.059 0.000 3.038 1124 H HA 0.331 4.886 4.556 -0.000 0.000 0.223 1124 H C 0.989 176.382 175.328 0.107 0.000 1.400 1124 H CA -0.074 56.016 56.048 0.070 0.000 1.153 1124 H CB 0.515 30.309 29.762 0.053 0.000 2.234 1124 H HN 0.254 nan 8.280 nan 0.000 0.541 1125 A N 0.185 123.110 122.820 0.175 0.000 2.267 1125 A HA 0.437 4.757 4.320 -0.000 0.000 0.213 1125 A C 1.968 179.702 177.584 0.249 0.000 1.192 1125 A CA 0.893 53.049 52.037 0.198 0.000 0.851 1125 A CB 0.266 19.344 19.000 0.129 0.000 0.881 1125 A HN 0.364 nan 8.150 nan 0.000 0.494 1126 A N -0.449 122.512 122.820 0.235 0.000 2.140 1126 A HA 0.169 4.489 4.320 -0.000 0.000 0.209 1126 A C 0.182 177.997 177.584 0.384 0.000 1.181 1126 A CA 0.047 52.244 52.037 0.267 0.000 0.824 1126 A CB 0.034 19.120 19.000 0.143 0.000 0.879 1126 A HN 0.285 nan 8.150 nan 0.000 0.480 1127 D N 1.317 121.882 120.400 0.276 0.000 2.482 1127 D HA 0.051 4.691 4.640 -0.000 0.000 0.244 1127 D C 1.130 177.427 176.300 -0.005 0.000 1.242 1127 D CA 0.306 54.395 54.000 0.148 0.000 1.097 1127 D CB 0.719 41.587 40.800 0.114 0.000 1.109 1127 D HN 0.617 nan 8.370 nan 0.000 0.510 1128 Q N 1.616 121.350 119.800 -0.111 0.000 2.449 1128 Q HA -0.230 4.110 4.340 -0.000 0.000 0.214 1128 Q C 1.394 177.092 176.000 -0.503 0.000 0.986 1128 Q CA 1.502 56.844 55.803 -0.769 0.000 0.893 1128 Q CB 0.109 28.495 28.738 -0.588 0.000 0.940 1128 Q HN 0.474 nan 8.270 nan 0.000 0.477 1129 E N -0.635 119.419 120.200 -0.242 0.000 2.276 1129 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 1129 E C 1.766 178.268 176.600 -0.163 0.000 0.983 1129 E CA 0.366 56.652 56.400 -0.189 0.000 0.861 1129 E CB 0.116 29.747 29.700 -0.114 0.000 0.817 1129 E HN 0.583 nan 8.360 nan 0.000 0.485 1130 Q N -0.175 119.547 119.800 -0.129 0.000 2.331 1130 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 1130 Q C 1.816 177.749 176.000 -0.112 0.000 0.944 1130 Q CA 0.795 56.533 55.803 -0.109 0.000 0.892 1130 Q CB 0.132 28.818 28.738 -0.086 0.000 0.983 1130 Q HN 0.234 nan 8.270 nan 0.000 0.482 1131 A N 1.176 123.900 122.820 -0.160 0.000 1.969 1131 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 1131 A C 1.882 179.340 177.584 -0.209 0.000 1.169 1131 A CA 1.191 53.125 52.037 -0.172 0.000 0.635 1131 A CB -0.154 18.666 19.000 -0.300 0.000 0.810 1131 A HN 0.265 nan 8.150 nan 0.000 0.445 1132 K N -0.235 120.010 120.400 -0.257 0.000 2.103 1132 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 1132 K C 1.798 178.294 176.600 -0.173 0.000 1.052 1132 K CA 1.015 57.157 56.287 -0.240 0.000 0.945 1132 K CB -0.306 32.044 32.500 -0.250 0.000 0.722 1132 K HN 0.447 nan 8.250 nan 0.000 0.443 1133 L N 0.807 121.945 121.223 -0.141 0.000 2.027 1133 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 1133 L C 2.404 179.221 176.870 -0.088 0.000 1.074 1133 L CA 1.267 56.042 54.840 -0.107 0.000 0.745 1133 L CB -0.544 41.457 42.059 -0.096 0.000 0.898 1133 L HN 0.145 nan 8.230 nan 0.000 0.433 1134 I N -0.239 120.282 120.570 -0.081 0.000 2.286 1134 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 1134 I C 2.899 178.982 176.117 -0.056 0.000 1.115 1134 I CA 1.012 62.280 61.300 -0.054 0.000 1.392 1134 I CB -0.385 37.594 38.000 -0.034 0.000 1.065 1134 I HN 0.301 nan 8.210 nan 0.000 0.418 1135 R N 1.335 121.783 120.500 -0.087 0.000 2.083 1135 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 1135 R C 2.365 178.622 176.300 -0.072 0.000 1.137 1135 R CA 2.223 58.269 56.100 -0.090 0.000 0.951 1135 R CB -0.333 29.868 30.300 -0.164 0.000 0.851 1135 R HN 0.433 nan 8.270 nan 0.000 0.434 1136 S N -0.575 115.071 115.700 -0.091 0.000 2.489 1136 S HA 0.085 4.555 4.470 -0.000 0.000 0.228 1136 S C 1.841 176.416 174.600 -0.042 0.000 0.995 1136 S CA 0.525 58.685 58.200 -0.066 0.000 0.934 1136 S CB 0.361 63.511 63.200 -0.083 0.000 0.771 1136 S HN 0.463 nan 8.310 nan 0.000 0.522 1137 A N 0.816 123.613 122.820 -0.039 0.000 2.132 1137 A HA 0.472 4.792 4.320 -0.000 0.000 0.213 1137 A C 1.916 179.496 177.584 -0.006 0.000 1.154 1137 A CA 0.254 52.276 52.037 -0.025 0.000 0.753 1137 A CB -0.330 18.653 19.000 -0.028 0.000 0.826 1137 A HN 0.569 nan 8.150 nan 0.000 0.469 1138 I N -1.114 119.456 120.570 -0.000 0.000 2.947 1138 I HA 0.041 4.211 4.170 -0.000 0.000 0.263 1138 I C 0.971 177.113 176.117 0.041 0.000 1.130 1138 I CA 0.006 61.317 61.300 0.018 0.000 1.448 1138 I CB 0.072 38.080 38.000 0.012 0.000 1.222 1138 I HN 0.292 nan 8.210 nan 0.000 0.453 1139 E N 1.857 122.080 120.200 0.039 0.000 2.480 1139 E HA -0.156 4.193 4.350 -0.000 0.000 0.258 1139 E C -0.160 176.491 176.600 0.086 0.000 0.984 1139 E CA 0.058 56.500 56.400 0.070 0.000 0.930 1139 E CB 0.313 30.060 29.700 0.077 0.000 0.936 1139 E HN 0.131 nan 8.360 nan 0.000 0.466 1140 H N 2.852 121.924 119.070 0.003 0.000 2.764 1140 H HA 0.172 4.728 4.556 -0.000 0.000 0.341 1140 H C -1.046 174.279 175.328 -0.005 0.000 1.072 1140 H CA 0.509 56.553 56.048 -0.005 0.000 1.444 1140 H CB 0.883 30.640 29.762 -0.009 0.000 1.458 1140 H HN 0.298 nan 8.280 nan 0.000 0.572 1141 T N 4.992 119.213 114.554 -0.555 0.000 3.031 1141 T HA 0.289 4.639 4.350 -0.000 0.000 0.305 1141 T C -0.738 173.686 174.700 -0.462 0.000 0.985 1141 T CA -0.672 61.196 62.100 -0.387 0.000 1.008 1141 T CB 0.621 69.383 68.868 -0.177 0.000 1.005 1141 T HN 0.795 nan 8.240 nan 0.000 0.444 1142 T N 1.168 115.517 114.554 -0.341 0.000 2.948 1142 T HA 0.527 4.876 4.350 -0.000 0.000 0.285 1142 T C 1.247 175.880 174.700 -0.112 0.000 1.019 1142 T CA -0.892 61.085 62.100 -0.205 0.000 1.013 1142 T CB 0.985 69.789 68.868 -0.107 0.000 1.117 1142 T HN 0.183 nan 8.240 nan 0.000 0.533 1143 L N 0.670 121.851 121.223 -0.070 0.000 2.131 1143 L HA 0.068 4.407 4.340 -0.000 0.000 0.210 1143 L C 2.516 179.368 176.870 -0.031 0.000 1.092 1143 L CA 1.739 56.552 54.840 -0.046 0.000 0.759 1143 L CB -1.145 40.901 42.059 -0.021 0.000 0.903 1143 L HN 0.896 nan 8.230 nan 0.000 0.435 1144 K N -0.821 119.565 120.400 -0.023 0.000 2.152 1144 K HA -0.167 4.152 4.320 -0.000 0.000 0.206 1144 K C 1.990 178.579 176.600 -0.019 0.000 1.048 1144 K CA 1.515 57.795 56.287 -0.012 0.000 0.933 1144 K CB -0.072 32.426 32.500 -0.003 0.000 0.721 1144 K HN 0.553 nan 8.250 nan 0.000 0.447 1145 S N -0.881 114.798 115.700 -0.034 0.000 2.522 1145 S HA -0.006 4.463 4.470 -0.000 0.000 0.227 1145 S C 1.393 175.975 174.600 -0.031 0.000 0.986 1145 S CA 0.464 58.643 58.200 -0.034 0.000 0.929 1145 S CB 0.755 63.926 63.200 -0.049 0.000 0.769 1145 S HN 0.114 nan 8.310 nan 0.000 0.529 1146 V N 1.045 120.940 119.914 -0.032 0.000 3.432 1146 V HA 0.243 4.362 4.120 -0.000 0.000 0.298 1146 V C 0.158 176.242 176.094 -0.017 0.000 1.464 1146 V CA 0.264 62.547 62.300 -0.027 0.000 1.046 1146 V CB 0.546 32.345 31.823 -0.040 0.000 0.887 1146 V HN 0.438 nan 8.190 nan 0.000 0.441 1147 T N 0.877 115.425 114.554 -0.011 0.000 2.799 1147 T HA 0.461 4.811 4.350 -0.000 0.000 0.286 1147 T C 1.231 175.934 174.700 0.005 0.000 0.973 1147 T CA -0.142 61.958 62.100 -0.000 0.000 1.035 1147 T CB 1.963 70.833 68.868 0.004 0.000 0.932 1147 T HN 0.033 nan 8.240 nan 0.000 0.469 1148 I N 1.377 121.954 120.570 0.012 0.000 2.235 1148 I HA 0.269 4.439 4.170 -0.000 0.000 0.241 1148 I C 1.240 177.367 176.117 0.018 0.000 1.085 1148 I CA 0.433 61.742 61.300 0.014 0.000 1.378 1148 I CB -0.049 37.962 38.000 0.020 0.000 1.076 1148 I HN 0.614 nan 8.210 nan 0.000 0.415 1149 A N 0.059 122.895 122.820 0.026 0.000 2.612 1149 A HA 0.634 4.954 4.320 -0.000 0.000 0.293 1149 A C -0.835 176.771 177.584 0.038 0.000 1.075 1149 A CA -0.442 51.611 52.037 0.028 0.000 0.680 1149 A CB 1.227 20.245 19.000 0.030 0.000 1.279 1149 A HN 0.144 nan 8.150 nan 0.000 0.411 1150 S N 0.446 116.164 115.700 0.030 0.000 2.503 1150 S HA 0.860 5.330 4.470 -0.000 0.000 0.301 1150 S C -0.773 173.843 174.600 0.027 0.000 1.087 1150 S CA -0.567 57.655 58.200 0.037 0.000 1.042 1150 S CB 1.658 64.873 63.200 0.024 0.000 1.043 1150 S HN 0.704 nan 8.310 nan 0.000 0.489 1151 E N 1.073 121.305 120.200 0.052 0.000 2.393 1151 E HA 0.536 4.886 4.350 -0.000 0.000 0.273 1151 E C -1.310 175.302 176.600 0.020 0.000 0.918 1151 E CA -0.769 55.623 56.400 -0.014 0.000 0.773 1151 E CB 2.269 31.942 29.700 -0.044 0.000 1.275 1151 E HN 0.615 nan 8.360 nan 0.000 0.451 1152 I N 2.423 122.950 120.570 -0.072 0.000 2.418 1152 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 1152 I C -1.218 174.919 176.117 0.034 0.000 1.008 1152 I CA -0.595 60.742 61.300 0.062 0.000 1.104 1152 I CB 0.717 38.748 38.000 0.051 0.000 1.264 1152 I HN 0.412 nan 8.210 nan 0.000 0.438 1153 Y N 4.573 124.997 120.300 0.205 0.000 2.528 1153 Y HA 0.341 4.891 4.550 -0.000 0.000 0.335 1153 Y C -0.476 175.563 175.900 0.232 0.000 1.093 1153 Y CA -0.672 57.546 58.100 0.196 0.000 1.134 1153 Y CB 1.599 40.115 38.460 0.094 0.000 1.253 1153 Y HN 0.384 nan 8.280 nan 0.000 0.478 1154 Y N 2.227 122.642 120.300 0.190 0.000 2.454 1154 Y HA 0.353 4.902 4.550 -0.000 0.000 0.345 1154 Y C -0.955 174.880 175.900 -0.109 0.000 0.970 1154 Y CA -0.973 56.989 58.100 -0.229 0.000 1.204 1154 Y CB 0.417 38.622 38.460 -0.425 0.000 1.122 1154 Y HN 0.543 nan 8.280 nan 0.000 0.514 1155 D N 9.085 129.161 120.400 -0.540 0.000 2.412 1155 D HA 0.277 4.917 4.640 -0.000 0.000 0.276 1155 D C -1.845 174.135 176.300 -0.533 0.000 1.196 1155 D CA -2.110 51.658 54.000 -0.386 0.000 0.905 1155 D CB 1.326 42.028 40.800 -0.164 0.000 1.081 1155 D HN 0.321 nan 8.370 nan 0.000 0.502 1156 P HA -0.147 nan 4.420 nan 0.000 0.215 1156 P C 0.269 177.404 177.300 -0.275 0.000 1.157 1156 P CA 0.821 63.581 63.100 -0.565 0.000 0.868 1156 P CB 0.341 31.761 31.700 -0.468 0.000 0.788 1157 D N 1.070 121.353 120.400 -0.196 0.000 2.453 1157 D HA 0.085 4.725 4.640 -0.000 0.000 0.223 1157 D C -1.095 175.142 176.300 -0.105 0.000 1.183 1157 D CA -2.561 51.365 54.000 -0.123 0.000 0.933 1157 D CB 0.304 41.050 40.800 -0.089 0.000 1.038 1157 D HN 0.073 nan 8.370 nan 0.000 0.513 1158 P HA -0.237 nan 4.420 nan 0.000 0.219 1158 P C 1.076 178.365 177.300 -0.019 0.000 1.145 1158 P CA 1.067 64.114 63.100 -0.088 0.000 0.813 1158 P CB 0.517 32.133 31.700 -0.139 0.000 0.771 1159 R N 0.338 120.831 120.500 -0.013 0.000 2.023 1159 R HA 0.064 4.404 4.340 -0.000 0.000 0.217 1159 R C 1.363 177.656 176.300 -0.011 0.000 1.255 1159 R CA 0.916 57.026 56.100 0.017 0.000 0.981 1159 R CB -0.669 29.613 30.300 -0.030 0.000 0.853 1159 R HN 0.238 nan 8.270 nan 0.000 0.463 1160 S N 0.696 116.370 115.700 -0.044 0.000 2.601 1160 S HA 0.241 4.710 4.470 -0.000 0.000 0.271 1160 S C -0.120 174.449 174.600 -0.051 0.000 1.305 1160 S CA -0.655 57.517 58.200 -0.047 0.000 1.022 1160 S CB 1.898 65.065 63.200 -0.055 0.000 0.940 1160 S HN 0.091 nan 8.310 nan 0.000 0.525 1161 T N 1.859 116.383 114.554 -0.050 0.000 2.918 1161 T HA 0.397 4.746 4.350 -0.000 0.000 0.286 1161 T C 1.202 175.857 174.700 -0.074 0.000 1.026 1161 T CA -0.792 61.267 62.100 -0.068 0.000 1.031 1161 T CB 1.582 70.410 68.868 -0.067 0.000 1.046 1161 T HN 0.466 nan 8.240 nan 0.000 0.479 1162 V N 1.452 121.310 119.914 -0.093 0.000 2.951 1162 V HA 0.128 4.247 4.120 -0.000 0.000 0.255 1162 V C 0.826 176.863 176.094 -0.095 0.000 1.088 1162 V CA 0.985 63.241 62.300 -0.074 0.000 1.109 1162 V CB -0.378 31.413 31.823 -0.053 0.000 0.724 1162 V HN 0.685 nan 8.190 nan 0.000 0.471 1163 I N 3.009 123.487 120.570 -0.153 0.000 2.312 1163 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 1163 I C -0.762 175.299 176.117 -0.095 0.000 1.031 1163 I CA -1.684 59.514 61.300 -0.170 0.000 1.293 1163 I CB 1.384 39.209 38.000 -0.290 0.000 1.403 1163 I HN 0.085 nan 8.210 nan 0.000 0.484 1164 P HA -0.235 nan 4.420 nan 0.000 0.213 1164 P C 0.972 178.254 177.300 -0.031 0.000 1.170 1164 P CA 1.714 64.791 63.100 -0.037 0.000 0.902 1164 P CB 0.174 31.860 31.700 -0.023 0.000 0.789 1165 E N 0.040 120.223 120.200 -0.029 0.000 2.147 1165 E HA -0.195 4.154 4.350 -0.000 0.000 0.199 1165 E C 1.131 177.724 176.600 -0.012 0.000 1.005 1165 E CA 1.256 57.646 56.400 -0.016 0.000 0.810 1165 E CB -0.718 28.976 29.700 -0.010 0.000 0.736 1165 E HN 0.354 nan 8.360 nan 0.000 0.460 1166 D N 0.480 120.865 120.400 -0.025 0.000 2.324 1166 D HA -0.007 4.633 4.640 -0.000 0.000 0.235 1166 D C 1.177 177.478 176.300 0.002 0.000 1.095 1166 D CA 0.262 54.257 54.000 -0.008 0.000 0.871 1166 D CB 0.025 40.811 40.800 -0.024 0.000 0.906 1166 D HN 0.292 nan 8.370 nan 0.000 0.522 1167 E N 0.497 120.692 120.200 -0.008 0.000 2.072 1167 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 1167 E C 1.697 178.300 176.600 0.006 0.000 0.982 1167 E CA 0.540 56.936 56.400 -0.006 0.000 0.803 1167 E CB 0.143 29.831 29.700 -0.019 0.000 0.755 1167 E HN 0.346 nan 8.360 nan 0.000 0.453 1168 E N 1.143 121.345 120.200 0.003 0.000 2.110 1168 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 1168 E C 2.099 178.707 176.600 0.013 0.000 0.988 1168 E CA 0.695 57.096 56.400 0.001 0.000 0.804 1168 E CB -0.055 29.642 29.700 -0.004 0.000 0.745 1168 E HN 0.237 nan 8.360 nan 0.000 0.458 1169 I N 0.328 120.921 120.570 0.039 0.000 2.394 1169 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 1169 I C 1.815 178.044 176.117 0.187 0.000 1.136 1169 I CA 0.951 62.302 61.300 0.084 0.000 1.425 1169 I CB 0.068 38.132 38.000 0.106 0.000 1.079 1169 I HN 0.219 nan 8.210 nan 0.000 0.425 1170 I N 0.468 121.132 120.570 0.156 0.000 2.333 1170 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 1170 I C 2.460 178.748 176.117 0.284 0.000 1.106 1170 I CA 0.877 62.319 61.300 0.236 0.000 1.411 1170 I CB -0.403 37.698 38.000 0.168 0.000 1.082 1170 I HN 0.310 nan 8.210 nan 0.000 0.420 1171 Q N 0.981 120.859 119.800 0.129 0.000 2.020 1171 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 1171 Q C 2.194 178.274 176.000 0.133 0.000 0.982 1171 Q CA 1.356 57.203 55.803 0.074 0.000 0.838 1171 Q CB -0.261 28.470 28.738 -0.011 0.000 0.899 1171 Q HN 0.478 nan 8.270 nan 0.000 0.423 1172 L N 0.724 121.963 121.223 0.025 0.000 2.651 1172 L HA -0.143 4.196 4.340 -0.000 0.000 0.236 1172 L C 0.765 177.488 176.870 -0.244 0.000 1.173 1172 L CA 0.452 55.225 54.840 -0.111 0.000 0.843 1172 L CB -0.308 41.631 42.059 -0.200 0.000 0.964 1172 L HN 0.306 nan 8.230 nan 0.000 0.454 1173 H N -1.294 117.850 119.070 0.123 0.000 2.474 1173 H HA 0.218 4.774 4.556 -0.000 0.000 0.250 1173 H C -0.398 174.888 175.328 -0.071 0.000 1.307 1173 H CA -0.064 55.982 56.048 -0.003 0.000 1.058 1173 H CB 0.269 29.978 29.762 -0.089 0.000 1.693 1173 H HN 0.149 nan 8.280 nan 0.000 0.552 1174 F N -0.163 119.799 119.950 0.019 0.000 2.988 1174 F HA 0.048 4.575 4.527 -0.000 0.000 0.333 1174 F C 0.827 176.623 175.800 -0.008 0.000 1.243 1174 F CA -0.349 57.660 58.000 0.014 0.000 1.041 1174 F CB 0.631 39.635 39.000 0.007 0.000 1.354 1174 F HN 0.078 nan 8.300 nan 0.000 0.505 1188 Q N 1.918 121.666 119.800 -0.087 0.000 2.337 1188 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 1188 Q C -0.449 175.527 176.000 -0.039 0.000 1.002 1188 Q CA 0.365 56.113 55.803 -0.091 0.000 0.888 1188 Q CB 1.128 29.729 28.738 -0.228 0.000 1.222 1188 Q HN 0.469 nan 8.270 nan 0.000 0.400 1189 S N 1.876 117.586 115.700 0.018 0.000 2.672 1189 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 1189 S C -1.801 172.789 174.600 -0.015 0.000 1.207 1189 S CA -1.323 56.915 58.200 0.064 0.000 1.002 1189 S CB 1.189 64.504 63.200 0.192 0.000 0.998 1189 S HN 0.493 nan 8.310 nan 0.000 0.542 1190 P HA 0.098 nan 4.420 nan 0.000 0.241 1190 P C -0.532 176.469 177.300 -0.499 0.000 1.191 1190 P CA 0.210 63.060 63.100 -0.418 0.000 0.771 1190 P CB -0.052 31.291 31.700 -0.594 0.000 0.929 1191 W N 0.844 122.122 121.300 -0.037 0.000 2.261 1191 W HA 0.431 5.090 4.660 -0.000 0.000 0.323 1191 W C 0.195 176.730 176.519 0.026 0.000 1.243 1191 W CA -0.642 56.719 57.345 0.026 0.000 1.210 1191 W CB 0.468 29.976 29.460 0.081 0.000 1.149 1191 W HN -0.187 nan 8.180 nan 0.000 0.562 1192 L N 5.012 126.415 121.223 0.299 0.000 2.349 1192 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 1192 L C -1.251 175.763 176.870 0.239 0.000 0.996 1192 L CA -0.958 54.014 54.840 0.221 0.000 0.825 1192 L CB 0.949 43.110 42.059 0.170 0.000 1.243 1192 L HN 0.323 nan 8.230 nan 0.000 0.412 1193 L N 5.780 127.104 121.223 0.167 0.000 2.275 1193 L HA 0.589 4.929 4.340 -0.000 0.000 0.288 1193 L C -0.547 176.405 176.870 0.137 0.000 1.046 1193 L CA 0.080 54.996 54.840 0.128 0.000 0.805 1193 L CB 0.855 42.951 42.059 0.061 0.000 1.193 1193 L HN 0.797 nan 8.230 nan 0.000 0.426 1194 R N 6.050 126.647 120.500 0.162 0.000 2.473 1194 R HA 0.576 4.915 4.340 -0.000 0.000 0.303 1194 R C -1.910 174.465 176.300 0.125 0.000 1.002 1194 R CA -0.582 55.612 56.100 0.156 0.000 0.884 1194 R CB 0.824 31.259 30.300 0.225 0.000 1.173 1194 R HN 0.739 nan 8.270 nan 0.000 0.464 1195 L N 2.990 124.268 121.223 0.091 0.000 2.309 1195 L HA 0.480 4.820 4.340 -0.000 0.000 0.282 1195 L C -0.010 176.900 176.870 0.066 0.000 1.036 1195 L CA -0.670 54.211 54.840 0.069 0.000 0.806 1195 L CB 1.810 43.897 42.059 0.048 0.000 1.220 1195 L HN 0.622 nan 8.230 nan 0.000 0.429 1196 E N 3.877 124.112 120.200 0.058 0.000 2.073 1196 E HA 0.419 4.769 4.350 -0.000 0.000 0.269 1196 E C -1.157 175.463 176.600 0.033 0.000 0.917 1196 E CA -0.524 55.906 56.400 0.051 0.000 0.757 1196 E CB 1.033 30.766 29.700 0.055 0.000 1.111 1196 E HN 0.491 nan 8.360 nan 0.000 0.410 1197 L N 3.120 124.359 121.223 0.027 0.000 2.379 1197 L HA 0.325 4.664 4.340 -0.000 0.000 0.269 1197 L C 0.466 177.343 176.870 0.011 0.000 1.084 1197 L CA -0.651 54.196 54.840 0.011 0.000 0.802 1197 L CB 0.963 43.021 42.059 -0.001 0.000 1.175 1197 L HN 0.557 nan 8.230 nan 0.000 0.448 1198 D N 1.934 122.336 120.400 0.003 0.000 2.249 1198 D HA 0.080 4.720 4.640 -0.000 0.000 0.246 1198 D C 0.796 177.096 176.300 -0.000 0.000 1.114 1198 D CA -0.397 53.605 54.000 0.004 0.000 0.854 1198 D CB 1.520 42.321 40.800 0.001 0.000 1.132 1198 D HN 0.488 nan 8.370 nan 0.000 0.461 1199 R N 3.164 123.666 120.500 0.003 0.000 2.096 1199 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 1199 R C 1.884 178.181 176.300 -0.003 0.000 1.127 1199 R CA 1.630 57.730 56.100 0.000 0.000 0.968 1199 R CB -0.098 30.205 30.300 0.005 0.000 0.861 1199 R HN 0.592 nan 8.270 nan 0.000 0.440 1200 A N 1.033 123.852 122.820 -0.001 0.000 1.837 1200 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 1200 A C 2.371 179.953 177.584 -0.003 0.000 1.210 1200 A CA 2.071 54.107 52.037 -0.002 0.000 0.632 1200 A CB -1.354 17.647 19.000 0.001 0.000 0.843 1200 A HN 0.515 nan 8.150 nan 0.000 0.448 1201 A N -1.654 121.164 122.820 -0.003 0.000 2.084 1201 A HA -0.165 4.154 4.320 -0.000 0.000 0.221 1201 A C 2.130 179.706 177.584 -0.013 0.000 1.161 1201 A CA 2.118 54.152 52.037 -0.004 0.000 0.653 1201 A CB -0.559 18.435 19.000 -0.009 0.000 0.802 1201 A HN 0.507 nan 8.150 nan 0.000 0.457 1202 M N 0.731 120.321 119.600 -0.017 0.000 2.494 1202 M HA -0.150 4.329 4.480 -0.000 0.000 0.270 1202 M C 1.981 178.264 176.300 -0.028 0.000 1.092 1202 M CA 2.056 57.340 55.300 -0.026 0.000 1.085 1202 M CB -1.903 30.683 32.600 -0.022 0.000 1.211 1202 M HN 0.677 nan 8.290 nan 0.000 0.481 1203 N N 0.750 119.436 118.700 -0.024 0.000 2.334 1203 N HA -0.221 4.519 4.740 -0.000 0.000 0.187 1203 N C 1.180 176.671 175.510 -0.031 0.000 1.016 1203 N CA 1.759 54.792 53.050 -0.027 0.000 0.879 1203 N CB -1.000 37.474 38.487 -0.021 0.000 0.965 1203 N HN 0.486 nan 8.380 nan 0.000 0.438 1204 D N 1.274 121.660 120.400 -0.024 0.000 2.088 1204 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 1204 D C 0.550 176.828 176.300 -0.036 0.000 0.992 1204 D CA 1.273 55.259 54.000 -0.023 0.000 0.831 1204 D CB -0.122 40.679 40.800 0.003 0.000 0.973 1204 D HN 0.402 nan 8.370 nan 0.000 0.447 1205 K N 1.041 121.426 120.400 -0.026 0.000 2.630 1205 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 1205 K C -0.321 176.249 176.600 -0.050 0.000 1.024 1205 K CA -0.033 56.233 56.287 -0.034 0.000 1.157 1205 K CB 0.003 32.488 32.500 -0.024 0.000 0.899 1205 K HN 0.159 nan 8.250 nan 0.000 0.501 1206 D N 1.545 121.914 120.400 -0.051 0.000 3.003 1206 D HA -0.206 4.434 4.640 -0.000 0.000 0.223 1206 D C -0.746 175.522 176.300 -0.054 0.000 1.204 1206 D CA 1.074 55.042 54.000 -0.053 0.000 0.828 1206 D CB -0.652 40.113 40.800 -0.059 0.000 0.918 1206 D HN 0.308 nan 8.370 nan 0.000 0.401 1207 L N 0.675 121.866 121.223 -0.053 0.000 2.381 1207 L HA 0.376 4.716 4.340 -0.000 0.000 0.268 1207 L C 0.561 177.394 176.870 -0.063 0.000 0.997 1207 L CA -0.529 54.272 54.840 -0.065 0.000 0.818 1207 L CB 2.260 44.276 42.059 -0.073 0.000 1.310 1207 L HN -0.104 nan 8.230 nan 0.000 0.416 1208 T N 2.452 116.960 114.554 -0.077 0.000 2.895 1208 T HA 0.264 4.614 4.350 -0.000 0.000 0.283 1208 T C 1.146 175.770 174.700 -0.127 0.000 1.014 1208 T CA -0.708 61.350 62.100 -0.070 0.000 1.037 1208 T CB 1.750 70.588 68.868 -0.050 0.000 1.006 1208 T HN 0.428 nan 8.240 nan 0.000 0.468 1209 M N 1.934 121.479 119.600 -0.093 0.000 2.108 1209 M HA -0.041 4.439 4.480 -0.000 0.000 0.261 1209 M C 2.539 178.540 176.300 -0.499 0.000 1.066 1209 M CA 1.643 56.827 55.300 -0.193 0.000 1.107 1209 M CB -1.684 30.953 32.600 0.062 0.000 1.356 1209 M HN 0.876 nan 8.290 nan 0.000 0.406 1210 G N -0.586 108.112 108.800 -0.169 0.000 2.432 1210 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.219 1210 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.219 1210 G C 1.551 176.263 174.900 -0.313 0.000 1.135 1210 G CA 0.514 45.539 45.100 -0.125 0.000 0.767 1210 G HN 0.534 nan 8.290 nan 0.000 0.550 1211 Q N -0.275 119.380 119.800 -0.241 0.000 1.994 1211 Q HA -0.009 4.331 4.340 -0.000 0.000 0.198 1211 Q C 2.884 178.709 176.000 -0.291 0.000 0.976 1211 Q CA 1.235 56.913 55.803 -0.208 0.000 0.828 1211 Q CB -0.385 28.273 28.738 -0.135 0.000 0.894 1211 Q HN 0.312 nan 8.270 nan 0.000 0.432 1212 V N 1.040 120.767 119.914 -0.312 0.000 2.250 1212 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 1212 V C 2.258 178.099 176.094 -0.422 0.000 1.060 1212 V CA 2.196 64.316 62.300 -0.301 0.000 1.030 1212 V CB -1.352 30.316 31.823 -0.259 0.000 0.643 1212 V HN 0.607 nan 8.190 nan 0.000 0.445 1213 G N -0.792 107.527 108.800 -0.802 0.000 2.433 1213 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 1213 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 1213 G C 1.453 175.909 174.900 -0.741 0.000 1.186 1213 G CA 0.672 45.090 45.100 -1.138 0.000 0.779 1213 G HN 0.478 nan 8.290 nan 0.000 0.543 1214 E N 0.124 119.934 120.200 -0.649 0.000 2.265 1214 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 1214 E C 2.541 179.063 176.600 -0.130 0.000 0.996 1214 E CA 0.565 56.843 56.400 -0.205 0.000 0.832 1214 E CB -0.017 29.627 29.700 -0.094 0.000 0.756 1214 E HN 0.295 nan 8.360 nan 0.000 0.491 1215 R N 0.850 121.245 120.500 -0.176 0.000 2.075 1215 R HA 0.048 4.388 4.340 -0.000 0.000 0.226 1215 R C 2.231 178.482 176.300 -0.083 0.000 1.114 1215 R CA 0.807 56.838 56.100 -0.115 0.000 0.972 1215 R CB -0.503 29.721 30.300 -0.125 0.000 0.869 1215 R HN 0.114 nan 8.270 nan 0.000 0.437 1216 I N 0.584 121.109 120.570 -0.075 0.000 2.179 1216 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 1216 I C 2.436 178.615 176.117 0.102 0.000 1.088 1216 I CA 1.495 62.814 61.300 0.033 0.000 1.357 1216 I CB -0.404 37.630 38.000 0.058 0.000 1.051 1216 I HN 0.214 nan 8.210 nan 0.000 0.409 1217 K N 1.311 121.753 120.400 0.069 0.000 2.044 1217 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 1217 K C 1.941 178.586 176.600 0.075 0.000 1.049 1217 K CA 1.999 58.351 56.287 0.107 0.000 0.927 1217 K CB -0.165 32.402 32.500 0.112 0.000 0.713 1217 K HN 0.474 nan 8.250 nan 0.000 0.443 1218 Q N -0.461 119.352 119.800 0.020 0.000 2.452 1218 Q HA -0.005 4.335 4.340 -0.000 0.000 0.214 1218 Q C 0.375 176.344 176.000 -0.051 0.000 0.966 1218 Q CA 0.810 56.610 55.803 -0.005 0.000 0.964 1218 Q CB 0.490 29.218 28.738 -0.016 0.000 0.992 1218 Q HN 0.126 nan 8.270 nan 0.000 0.517 1219 T N -0.376 114.129 114.554 -0.081 0.000 3.087 1219 T HA 0.156 4.506 4.350 -0.000 0.000 0.237 1219 T C -0.004 174.487 174.700 -0.347 0.000 0.990 1219 T CA 0.071 62.010 62.100 -0.268 0.000 1.160 1219 T CB 0.070 68.682 68.868 -0.426 0.000 0.923 1219 T HN 0.305 nan 8.240 nan 0.000 0.442 1220 F N 3.178 123.134 119.950 0.010 0.000 2.894 1220 F HA 0.389 4.916 4.527 -0.000 0.000 0.310 1220 F C 1.037 176.852 175.800 0.026 0.000 1.204 1220 F CA -0.930 57.082 58.000 0.020 0.000 1.290 1220 F CB -0.680 38.336 39.000 0.026 0.000 1.317 1220 F HN 0.043 nan 8.300 nan 0.000 0.545 1221 K N 0.086 120.554 120.400 0.113 0.000 2.061 1221 K HA -0.365 3.955 4.320 -0.000 0.000 0.103 1221 K C 0.655 177.322 176.600 0.110 0.000 1.139 1221 K CA 2.096 58.435 56.287 0.087 0.000 0.518 1221 K CB -0.643 31.901 32.500 0.073 0.000 0.520 1221 K HN 0.320 nan 8.250 nan 0.000 1.008 1222 N N 1.231 119.992 118.700 0.101 0.000 2.205 1222 N HA 0.017 4.757 4.740 -0.000 0.000 0.201 1222 N C -0.493 175.084 175.510 0.111 0.000 1.128 1222 N CA 0.286 53.395 53.050 0.099 0.000 0.867 1222 N CB 0.380 38.912 38.487 0.074 0.000 0.996 1222 N HN 0.311 nan 8.380 nan 0.000 0.503 1223 D N 1.158 121.637 120.400 0.132 0.000 2.400 1223 D HA 0.082 4.721 4.640 -0.000 0.000 0.243 1223 D C -0.044 176.318 176.300 0.104 0.000 1.184 1223 D CA 0.252 54.326 54.000 0.123 0.000 0.853 1223 D CB 0.188 41.077 40.800 0.148 0.000 0.944 1223 D HN 0.098 nan 8.370 nan 0.000 0.501 1224 L N 0.347 121.640 121.223 0.117 0.000 2.902 1224 L HA 0.242 4.582 4.340 -0.000 0.000 0.261 1224 L C -1.964 174.991 176.870 0.141 0.000 0.928 1224 L CA -0.790 54.098 54.840 0.080 0.000 1.024 1224 L CB 1.561 43.605 42.059 -0.026 0.000 1.629 1224 L HN -0.201 nan 8.230 nan 0.000 0.478 1225 F N 5.844 125.797 119.950 0.005 0.000 2.424 1225 F HA 0.741 5.268 4.527 -0.000 0.000 0.356 1225 F C -0.652 175.158 175.800 0.018 0.000 1.110 1225 F CA -0.224 57.778 58.000 0.004 0.000 1.161 1225 F CB 0.914 39.904 39.000 -0.017 0.000 1.115 1225 F HN 0.220 nan 8.300 nan 0.000 0.507 1226 V N 7.755 127.291 119.914 -0.629 0.000 2.604 1226 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 1226 V C -0.152 175.562 176.094 -0.633 0.000 1.043 1226 V CA -0.879 61.177 62.300 -0.406 0.000 0.888 1226 V CB 1.817 33.633 31.823 -0.011 0.000 0.995 1226 V HN 0.704 nan 8.190 nan 0.000 0.429 1227 I N 3.107 123.457 120.570 -0.367 0.000 3.006 1227 I HA 0.663 4.833 4.170 -0.000 0.000 0.306 1227 I C -1.746 174.345 176.117 -0.044 0.000 1.250 1227 I CA -0.528 60.455 61.300 -0.528 0.000 0.996 1227 I CB 2.880 40.533 38.000 -0.579 0.000 1.261 1227 I HN 0.951 nan 8.210 nan 0.000 0.442 1228 W N 2.525 123.737 121.300 -0.146 0.000 3.275 1228 W HA 0.629 5.289 4.660 -0.000 0.000 0.306 1228 W C -0.916 175.657 176.519 0.090 0.000 1.259 1228 W CA -0.936 56.397 57.345 -0.020 0.000 1.194 1228 W CB 0.082 29.526 29.460 -0.028 0.000 1.375 1228 W HN 0.525 nan 8.180 nan 0.000 0.564 1229 S N 0.515 116.392 115.700 0.295 0.000 2.589 1229 S HA 0.371 4.840 4.470 -0.000 0.000 0.265 1229 S C -0.067 174.702 174.600 0.282 0.000 1.342 1229 S CA -0.418 57.905 58.200 0.205 0.000 1.005 1229 S CB 1.087 64.371 63.200 0.141 0.000 0.909 1229 S HN 0.621 nan 8.310 nan 0.000 0.555 1230 E N 0.013 120.310 120.200 0.161 0.000 2.280 1230 E HA 0.170 4.520 4.350 -0.000 0.000 0.264 1230 E C 0.260 176.935 176.600 0.125 0.000 1.064 1230 E CA -0.703 55.795 56.400 0.163 0.000 0.900 1230 E CB 0.484 30.225 29.700 0.068 0.000 1.123 1230 E HN 0.640 nan 8.360 nan 0.000 0.418 1231 D N 0.823 121.289 120.400 0.111 0.000 2.311 1231 D HA -0.145 4.495 4.640 -0.000 0.000 0.212 1231 D C 0.920 177.247 176.300 0.045 0.000 0.972 1231 D CA 0.859 54.901 54.000 0.069 0.000 0.887 1231 D CB 0.155 40.989 40.800 0.056 0.000 0.915 1231 D HN 0.272 nan 8.370 nan 0.000 0.497 1232 N N 0.716 119.440 118.700 0.040 0.000 2.336 1232 N HA -0.062 4.677 4.740 -0.000 0.000 0.177 1232 N C 0.021 175.545 175.510 0.024 0.000 1.018 1232 N CA 0.299 53.363 53.050 0.024 0.000 0.878 1232 N CB 0.297 38.794 38.487 0.015 0.000 0.997 1232 N HN 0.107 nan 8.380 nan 0.000 0.433 1233 D N 1.395 121.813 120.400 0.030 0.000 2.478 1233 D HA -0.092 4.548 4.640 -0.000 0.000 0.234 1233 D C 1.285 177.603 176.300 0.029 0.000 1.154 1233 D CA 0.300 54.317 54.000 0.028 0.000 0.874 1233 D CB 0.568 41.392 40.800 0.039 0.000 1.198 1233 D HN 0.445 nan 8.370 nan 0.000 0.455 1234 E N 1.021 121.235 120.200 0.023 0.000 2.268 1234 E HA -0.118 4.231 4.350 -0.000 0.000 0.195 1234 E C -0.043 176.572 176.600 0.025 0.000 0.995 1234 E CA 0.857 57.270 56.400 0.021 0.000 0.836 1234 E CB 0.163 29.872 29.700 0.016 0.000 0.763 1234 E HN 0.287 nan 8.360 nan 0.000 0.491 1235 K N 1.111 121.530 120.400 0.032 0.000 2.345 1235 K HA 0.410 4.730 4.320 -0.000 0.000 0.255 1235 K C -0.948 175.683 176.600 0.051 0.000 0.934 1235 K CA -0.599 55.710 56.287 0.037 0.000 0.801 1235 K CB 2.205 34.726 32.500 0.034 0.000 1.137 1235 K HN -0.018 nan 8.250 nan 0.000 0.424 1236 L N 5.221 126.474 121.223 0.049 0.000 2.283 1236 L HA 0.460 4.799 4.340 -0.000 0.000 0.287 1236 L C -0.401 176.509 176.870 0.068 0.000 1.073 1236 L CA -0.305 54.572 54.840 0.061 0.000 0.822 1236 L CB -0.030 42.052 42.059 0.038 0.000 1.186 1236 L HN 0.433 nan 8.230 nan 0.000 0.436 1237 I N 4.395 125.023 120.570 0.097 0.000 2.569 1237 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 1237 I C -0.508 175.691 176.117 0.137 0.000 1.088 1237 I CA -0.325 61.033 61.300 0.097 0.000 1.047 1237 I CB 2.609 40.658 38.000 0.080 0.000 1.237 1237 I HN 0.419 nan 8.210 nan 0.000 0.421 1238 I N 5.382 126.022 120.570 0.116 0.000 2.474 1238 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 1238 I C -0.458 175.722 176.117 0.105 0.000 1.005 1238 I CA -0.728 60.655 61.300 0.139 0.000 1.113 1238 I CB 1.734 39.792 38.000 0.098 0.000 1.289 1238 I HN 0.442 nan 8.210 nan 0.000 0.436 1239 R N 4.702 125.258 120.500 0.093 0.000 2.534 1239 R HA 0.741 5.081 4.340 -0.000 0.000 0.301 1239 R C -1.563 174.770 176.300 0.055 0.000 0.961 1239 R CA -0.567 55.577 56.100 0.075 0.000 0.871 1239 R CB 1.956 32.296 30.300 0.066 0.000 1.170 1239 R HN 0.630 nan 8.270 nan 0.000 0.446 1240 C N 1.729 121.076 119.300 0.077 0.000 2.698 1240 C HA 0.616 5.075 4.460 -0.000 0.000 0.309 1240 C C -0.344 174.719 174.990 0.121 0.000 1.186 1240 C CA -1.192 57.867 59.018 0.069 0.000 1.474 1240 C CB 1.749 29.494 27.740 0.008 0.000 2.020 1240 C HN 0.824 nan 8.230 nan 0.000 0.474 1241 R N 1.136 121.745 120.500 0.181 0.000 2.686 1241 R HA 0.678 5.018 4.340 -0.000 0.000 0.283 1241 R C -1.193 175.184 176.300 0.129 0.000 0.978 1241 R CA -0.652 55.548 56.100 0.167 0.000 0.897 1241 R CB 2.051 32.459 30.300 0.180 0.000 1.192 1241 R HN 0.565 nan 8.270 nan 0.000 0.457 1242 V N 3.142 123.111 119.914 0.092 0.000 2.637 1242 V HA 0.150 4.270 4.120 -0.000 0.000 0.296 1242 V C 0.331 176.468 176.094 0.072 0.000 1.046 1242 V CA 0.064 62.400 62.300 0.060 0.000 1.066 1242 V CB 1.237 33.093 31.823 0.055 0.000 0.968 1242 V HN 0.527 nan 8.190 nan 0.000 0.483 1255 E N -0.007 120.209 120.200 0.027 0.000 2.759 1255 E HA -0.200 4.149 4.350 -0.000 0.000 0.280 1255 E C 0.672 177.259 176.600 -0.021 0.000 1.009 1255 E CA 0.938 57.336 56.400 -0.004 0.000 0.849 1255 E CB -0.994 28.697 29.700 -0.014 0.000 1.415 1255 E HN 0.787 nan 8.360 nan 0.000 0.412 1256 E N 0.300 120.467 120.200 -0.056 0.000 2.008 1256 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 1256 E C 1.354 177.796 176.600 -0.264 0.000 0.986 1256 E CA 1.305 57.645 56.400 -0.100 0.000 0.807 1256 E CB -0.234 29.473 29.700 0.012 0.000 0.766 1256 E HN 0.423 nan 8.360 nan 0.000 0.450 1257 D N 0.458 120.484 120.400 -0.623 0.000 2.254 1257 D HA -0.232 4.408 4.640 -0.000 0.000 0.201 1257 D C 1.823 177.929 176.300 -0.323 0.000 0.998 1257 D CA 1.228 54.829 54.000 -0.665 0.000 0.885 1257 D CB -0.420 39.855 40.800 -0.875 0.000 0.915 1257 D HN 0.282 nan 8.370 nan 0.000 0.460 1258 H N 0.423 119.350 119.070 -0.239 0.000 2.287 1258 H HA 0.138 4.694 4.556 -0.000 0.000 0.309 1258 H C 2.401 177.665 175.328 -0.105 0.000 1.059 1258 H CA 0.642 56.603 56.048 -0.144 0.000 1.357 1258 H CB -0.194 29.503 29.762 -0.108 0.000 1.409 1258 H HN 0.040 nan 8.280 nan 0.000 0.515 1259 M N 0.041 119.693 119.600 0.087 0.000 2.116 1259 M HA -0.246 4.234 4.480 -0.000 0.000 0.255 1259 M C 2.447 178.741 176.300 -0.009 0.000 1.075 1259 M CA 1.339 56.661 55.300 0.036 0.000 1.087 1259 M CB -0.351 32.254 32.600 0.009 0.000 1.340 1259 M HN 0.150 nan 8.290 nan 0.000 0.402 1260 L N 0.459 121.653 121.223 -0.048 0.000 2.017 1260 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 1260 L C 2.192 179.022 176.870 -0.066 0.000 1.073 1260 L CA 1.947 56.748 54.840 -0.067 0.000 0.745 1260 L CB -0.538 41.480 42.059 -0.069 0.000 0.894 1260 L HN 0.184 nan 8.230 nan 0.000 0.432 1261 K N -0.858 119.487 120.400 -0.090 0.000 2.209 1261 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 1261 K C 1.965 178.544 176.600 -0.034 0.000 1.048 1261 K CA 1.226 57.460 56.287 -0.089 0.000 0.940 1261 K CB -0.032 32.364 32.500 -0.173 0.000 0.729 1261 K HN 0.369 nan 8.250 nan 0.000 0.451 1262 K N 0.616 121.018 120.400 0.002 0.000 2.044 1262 K HA 0.017 4.336 4.320 -0.000 0.000 0.204 1262 K C 2.057 178.682 176.600 0.041 0.000 1.049 1262 K CA 0.897 57.207 56.287 0.039 0.000 0.945 1262 K CB -0.031 32.510 32.500 0.069 0.000 0.724 1262 K HN 0.035 nan 8.250 nan 0.000 0.440 1263 I N 1.847 122.418 120.570 0.001 0.000 2.226 1263 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 1263 I C 2.619 178.732 176.117 -0.007 0.000 1.100 1263 I CA 1.537 62.809 61.300 -0.047 0.000 1.374 1263 I CB -0.420 37.432 38.000 -0.246 0.000 1.057 1263 I HN 0.274 nan 8.210 nan 0.000 0.413 1264 E N 1.678 121.866 120.200 -0.020 0.000 2.085 1264 E HA -0.302 4.047 4.350 -0.000 0.000 0.194 1264 E C 1.972 178.592 176.600 0.034 0.000 0.994 1264 E CA 1.920 58.321 56.400 0.002 0.000 0.801 1264 E CB -0.419 29.273 29.700 -0.012 0.000 0.743 1264 E HN 0.408 nan 8.360 nan 0.000 0.453 1265 N N -0.279 118.443 118.700 0.037 0.000 2.135 1265 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 1265 N C 1.569 177.124 175.510 0.075 0.000 1.027 1265 N CA 2.029 55.106 53.050 0.046 0.000 0.849 1265 N CB -0.389 38.119 38.487 0.036 0.000 1.002 1265 N HN 0.295 nan 8.380 nan 0.000 0.425 1266 T N 1.784 116.408 114.554 0.116 0.000 2.699 1266 T HA -0.130 4.219 4.350 -0.000 0.000 0.268 1266 T C 2.080 176.874 174.700 0.157 0.000 1.036 1266 T CA 1.381 63.573 62.100 0.154 0.000 1.147 1266 T CB -0.097 68.933 68.868 0.270 0.000 0.862 1266 T HN 0.291 nan 8.240 nan 0.000 0.446 1267 M N 0.426 120.145 119.600 0.198 0.000 2.067 1267 M HA 0.009 4.488 4.480 -0.000 0.000 0.260 1267 M C 2.295 178.642 176.300 0.077 0.000 1.069 1267 M CA 1.601 57.000 55.300 0.165 0.000 1.117 1267 M CB -0.678 32.020 32.600 0.164 0.000 1.334 1267 M HN 0.196 nan 8.290 nan 0.000 0.407 1268 L N -0.547 120.711 121.223 0.058 0.000 2.191 1268 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 1268 L C 1.995 178.881 176.870 0.027 0.000 1.103 1268 L CA 1.175 56.034 54.840 0.032 0.000 0.769 1268 L CB -0.456 41.618 42.059 0.025 0.000 0.908 1268 L HN 0.415 nan 8.230 nan 0.000 0.438 1269 E N -0.979 119.245 120.200 0.039 0.000 2.306 1269 E HA 0.026 4.376 4.350 -0.000 0.000 0.201 1269 E C 1.225 177.854 176.600 0.047 0.000 0.874 1269 E CA -0.015 56.409 56.400 0.040 0.000 0.972 1269 E CB 0.296 30.019 29.700 0.038 0.000 0.957 1269 E HN 0.377 nan 8.360 nan 0.000 0.492 1270 N N 0.688 119.412 118.700 0.040 0.000 2.398 1270 N HA 0.111 4.850 4.740 -0.000 0.000 0.188 1270 N C 0.133 175.645 175.510 0.003 0.000 1.122 1270 N CA 0.457 53.521 53.050 0.025 0.000 0.866 1270 N CB 0.840 39.331 38.487 0.008 0.000 0.970 1270 N HN 0.154 nan 8.380 nan 0.000 0.462 1271 I N 1.182 121.751 120.570 -0.002 0.000 2.336 1271 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 1271 I C -0.141 175.955 176.117 -0.035 0.000 0.991 1271 I CA -0.381 60.898 61.300 -0.034 0.000 1.227 1271 I CB 1.365 39.342 38.000 -0.040 0.000 1.366 1271 I HN -0.235 nan 8.210 nan 0.000 0.466 1272 T N 7.079 121.616 114.554 -0.028 0.000 2.728 1272 T HA 0.334 4.683 4.350 -0.000 0.000 0.296 1272 T C 1.297 175.945 174.700 -0.087 0.000 0.940 1272 T CA -0.454 61.617 62.100 -0.047 0.000 1.013 1272 T CB 1.214 70.122 68.868 0.068 0.000 0.912 1272 T HN 0.432 nan 8.240 nan 0.000 0.484 1273 L N 2.003 123.146 121.223 -0.134 0.000 2.162 1273 L HA 0.292 4.632 4.340 -0.000 0.000 0.205 1273 L C 1.346 178.156 176.870 -0.100 0.000 1.086 1273 L CA 0.811 55.581 54.840 -0.117 0.000 0.778 1273 L CB 0.071 42.056 42.059 -0.125 0.000 0.928 1273 L HN 0.500 nan 8.230 nan 0.000 0.446 1274 R N -1.397 119.039 120.500 -0.107 0.000 2.728 1274 R HA 0.468 4.808 4.340 -0.000 0.000 0.259 1274 R C -1.202 175.069 176.300 -0.048 0.000 1.057 1274 R CA 0.150 56.210 56.100 -0.068 0.000 0.908 1274 R CB 1.672 31.931 30.300 -0.067 0.000 1.259 1274 R HN 0.119 nan 8.270 nan 0.000 0.472 1275 G N 0.683 109.486 108.800 0.005 0.000 2.525 1275 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.685 1275 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.685 1275 G C -1.727 173.246 174.900 0.121 0.000 1.290 1275 G CA -0.503 44.633 45.100 0.060 0.000 0.915 1275 G HN 0.470 nan 8.290 nan 0.000 0.548 1276 V N 0.577 120.561 119.914 0.117 0.000 2.547 1276 V HA 0.545 4.665 4.120 -0.000 0.000 0.299 1276 V C 0.215 176.313 176.094 0.006 0.000 1.040 1276 V CA -0.685 61.654 62.300 0.065 0.000 0.913 1276 V CB 1.641 33.479 31.823 0.025 0.000 0.992 1276 V HN 0.775 nan 8.190 nan 0.000 0.449 1277 E N 4.587 124.732 120.200 -0.091 0.000 2.415 1277 E HA 0.200 4.549 4.350 -0.000 0.000 0.260 1277 E C 0.593 177.073 176.600 -0.201 0.000 1.016 1277 E CA 0.431 56.665 56.400 -0.277 0.000 0.924 1277 E CB -0.157 29.430 29.700 -0.189 0.000 0.961 1277 E HN 0.674 nan 8.360 nan 0.000 0.459 1278 N N 0.640 119.186 118.700 -0.257 0.000 2.928 1278 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 1278 N C -0.411 175.058 175.510 -0.069 0.000 1.280 1278 N CA 0.519 53.488 53.050 -0.135 0.000 1.285 1278 N CB -1.070 37.362 38.487 -0.091 0.000 0.961 1278 N HN 0.332 nan 8.380 nan 0.000 0.549 1279 I N 3.021 123.568 120.570 -0.038 0.000 2.389 1279 I HA 0.078 4.248 4.170 -0.000 0.000 0.295 1279 I C 1.478 177.629 176.117 0.056 0.000 1.117 1279 I CA 0.713 62.021 61.300 0.013 0.000 1.317 1279 I CB 0.496 38.512 38.000 0.026 0.000 1.431 1279 I HN 0.132 nan 8.210 nan 0.000 0.521 1280 E N 4.541 124.766 120.200 0.042 0.000 2.068 1280 E HA 0.264 4.614 4.350 -0.000 0.000 0.201 1280 E C 0.506 177.134 176.600 0.047 0.000 0.947 1280 E CA 0.037 56.471 56.400 0.056 0.000 0.909 1280 E CB 0.201 29.921 29.700 0.034 0.000 1.015 1280 E HN 0.412 nan 8.360 nan 0.000 0.484 1281 R N 0.337 120.852 120.500 0.024 0.000 2.641 1281 R HA 0.333 4.673 4.340 -0.000 0.000 0.269 1281 R C -1.027 175.311 176.300 0.064 0.000 1.074 1281 R CA 0.010 56.123 56.100 0.022 0.000 1.133 1281 R CB 0.933 31.234 30.300 0.002 0.000 1.029 1281 R HN 0.024 nan 8.270 nan 0.000 0.488 1282 V N 2.946 122.933 119.914 0.121 0.000 2.614 1282 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 1282 V C -0.828 175.347 176.094 0.135 0.000 1.031 1282 V CA -0.689 61.674 62.300 0.106 0.000 0.899 1282 V CB 1.783 33.657 31.823 0.085 0.000 1.037 1282 V HN 0.435 nan 8.190 nan 0.000 0.456 1283 V N 5.691 125.659 119.914 0.090 0.000 2.547 1283 V HA 0.541 4.660 4.120 -0.000 0.000 0.299 1283 V C 0.290 176.402 176.094 0.030 0.000 1.040 1283 V CA -0.488 61.864 62.300 0.087 0.000 0.913 1283 V CB 1.997 33.872 31.823 0.086 0.000 0.992 1283 V HN 0.786 nan 8.190 nan 0.000 0.449 1284 M N 4.994 124.608 119.600 0.023 0.000 2.342 1284 M HA 0.619 5.099 4.480 -0.000 0.000 0.332 1284 M C -0.496 175.879 176.300 0.125 0.000 1.166 1284 M CA -0.006 55.327 55.300 0.054 0.000 1.086 1284 M CB 1.336 33.939 32.600 0.005 0.000 1.541 1284 M HN 0.436 nan 8.290 nan 0.000 0.462 1285 M N 1.161 120.833 119.600 0.121 0.000 2.813 1285 M HA 0.422 4.902 4.480 -0.000 0.000 0.270 1285 M C -1.367 174.826 176.300 -0.179 0.000 1.267 1285 M CA -0.743 54.554 55.300 -0.005 0.000 0.822 1285 M CB 2.366 34.855 32.600 -0.184 0.000 1.671 1285 M HN 0.544 nan 8.290 nan 0.000 0.468 1286 K N 0.960 121.180 120.400 -0.300 0.000 2.535 1286 K HA 0.548 4.868 4.320 -0.000 0.000 0.253 1286 K C -1.987 174.530 176.600 -0.138 0.000 0.953 1286 K CA -0.181 55.810 56.287 -0.494 0.000 0.863 1286 K CB 1.176 33.220 32.500 -0.761 0.000 1.111 1286 K HN 0.617 nan 8.250 nan 0.000 0.431 1287 Y N 1.701 121.926 120.300 -0.125 0.000 2.352 1287 Y HA 0.192 4.742 4.550 -0.000 0.000 0.326 1287 Y C 0.527 176.398 175.900 -0.048 0.000 1.166 1287 Y CA -1.328 56.747 58.100 -0.042 0.000 1.182 1287 Y CB 1.305 39.789 38.460 0.039 0.000 1.216 1287 Y HN 0.472 nan 8.280 nan 0.000 0.474 1288 D N 2.592 123.076 120.400 0.139 0.000 2.255 1288 D HA 0.194 4.834 4.640 -0.000 0.000 0.249 1288 D C -0.547 175.804 176.300 0.085 0.000 1.078 1288 D CA -0.138 53.901 54.000 0.066 0.000 0.896 1288 D CB 1.331 42.151 40.800 0.033 0.000 1.194 1288 D HN 0.430 nan 8.370 nan 0.000 0.429 1289 R N 2.271 122.814 120.500 0.072 0.000 2.502 1289 R HA 0.151 4.491 4.340 -0.000 0.000 0.300 1289 R C -0.687 175.660 176.300 0.079 0.000 0.984 1289 R CA -0.760 55.388 56.100 0.080 0.000 0.882 1289 R CB 1.008 31.364 30.300 0.093 0.000 1.180 1289 R HN 0.136 nan 8.270 nan 0.000 0.444 1290 K N 3.492 123.946 120.400 0.090 0.000 2.349 1290 K HA 0.227 4.546 4.320 -0.000 0.000 0.289 1290 K C -0.754 176.000 176.600 0.257 0.000 1.064 1290 K CA -0.104 56.279 56.287 0.160 0.000 0.947 1290 K CB 1.355 33.910 32.500 0.093 0.000 1.007 1290 K HN 0.307 nan 8.250 nan 0.000 0.478 1291 V N 5.676 125.726 119.914 0.226 0.000 2.925 1291 V HA 0.299 4.419 4.120 -0.000 0.000 0.311 1291 V C -2.416 173.595 176.094 -0.140 0.000 1.104 1291 V CA -2.349 60.010 62.300 0.097 0.000 0.954 1291 V CB 2.453 34.292 31.823 0.027 0.000 1.022 1291 V HN 0.550 nan 8.190 nan 0.000 0.427 1292 P HA 0.204 nan 4.420 nan 0.000 0.271 1292 P C -0.462 176.688 177.300 -0.250 0.000 1.220 1292 P CA 0.112 62.886 63.100 -0.543 0.000 0.768 1292 P CB 0.570 31.976 31.700 -0.491 0.000 0.848 1293 S N 4.391 119.969 115.700 -0.202 0.000 2.669 1293 S HA 0.379 4.849 4.470 -0.000 0.000 0.270 1293 S C -1.357 173.182 174.600 -0.102 0.000 1.225 1293 S CA -1.095 57.040 58.200 -0.109 0.000 0.991 1293 S CB 0.133 63.291 63.200 -0.071 0.000 0.987 1293 S HN 0.317 nan 8.310 nan 0.000 0.552 1294 P HA -0.044 nan 4.420 nan 0.000 0.220 1294 P C 1.058 178.327 177.300 -0.052 0.000 1.148 1294 P CA 1.210 64.276 63.100 -0.058 0.000 0.803 1294 P CB -0.428 31.249 31.700 -0.039 0.000 0.782 1295 T N -1.849 112.677 114.554 -0.046 0.000 3.085 1295 T HA 0.220 4.570 4.350 -0.000 0.000 0.263 1295 T C 1.516 176.191 174.700 -0.041 0.000 1.127 1295 T CA 1.297 63.378 62.100 -0.031 0.000 1.103 1295 T CB -0.248 68.611 68.868 -0.017 0.000 0.921 1295 T HN 0.352 nan 8.240 nan 0.000 0.510 1296 G N 1.385 110.136 108.800 -0.081 0.000 2.436 1296 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.204 1296 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.204 1296 G C -0.131 174.685 174.900 -0.141 0.000 1.026 1296 G CA -0.328 44.707 45.100 -0.109 0.000 0.658 1296 G HN 0.542 nan 8.290 nan 0.000 0.499 1297 E N 0.824 120.979 120.200 -0.074 0.000 2.390 1297 E HA 0.553 4.903 4.350 -0.000 0.000 0.261 1297 E C -0.433 176.111 176.600 -0.093 0.000 1.076 1297 E CA -0.580 55.805 56.400 -0.025 0.000 0.905 1297 E CB 0.367 30.085 29.700 0.031 0.000 0.984 1297 E HN 0.398 nan 8.360 nan 0.000 0.427 1298 Y N 0.574 120.877 120.300 0.004 0.000 2.377 1298 Y HA 0.326 4.876 4.550 -0.000 0.000 0.330 1298 Y C 0.167 176.068 175.900 0.001 0.000 1.108 1298 Y CA -0.129 57.972 58.100 0.002 0.000 1.308 1298 Y CB 0.686 39.150 38.460 0.006 0.000 1.216 1298 Y HN 0.199 nan 8.280 nan 0.000 0.518 1299 V N 3.553 123.529 119.914 0.103 0.000 3.074 1299 V HA 0.400 4.520 4.120 -0.000 0.000 0.314 1299 V C -0.701 175.438 176.094 0.075 0.000 1.117 1299 V CA -1.737 60.602 62.300 0.065 0.000 1.014 1299 V CB 2.385 34.218 31.823 0.017 0.000 1.057 1299 V HN 0.548 nan 8.190 nan 0.000 0.438 1300 K N 1.595 122.025 120.400 0.050 0.000 2.172 1300 K HA 0.550 4.870 4.320 -0.000 0.000 0.276 1300 K C -0.647 175.968 176.600 0.025 0.000 1.013 1300 K CA -0.292 56.021 56.287 0.043 0.000 0.913 1300 K CB 1.199 33.717 32.500 0.029 0.000 1.055 1300 K HN 0.597 nan 8.250 nan 0.000 0.461 1301 E N 4.087 124.303 120.200 0.025 0.000 2.518 1301 E HA 0.165 4.515 4.350 -0.000 0.000 0.240 1301 E C -2.447 174.153 176.600 -0.001 0.000 0.996 1301 E CA -2.087 54.318 56.400 0.009 0.000 0.768 1301 E CB 1.341 31.049 29.700 0.015 0.000 1.329 1301 E HN 0.374 nan 8.360 nan 0.000 0.408 1302 P HA -0.061 nan 4.420 nan 0.000 0.268 1302 P C -0.813 176.406 177.300 -0.135 0.000 1.205 1302 P CA 0.322 63.367 63.100 -0.091 0.000 0.771 1302 P CB 0.847 32.460 31.700 -0.144 0.000 0.858 1303 E N 2.080 122.186 120.200 -0.157 0.000 2.393 1303 E HA 0.382 4.732 4.350 -0.000 0.000 0.273 1303 E C -1.445 174.978 176.600 -0.294 0.000 0.918 1303 E CA -1.040 55.276 56.400 -0.140 0.000 0.773 1303 E CB 0.963 30.698 29.700 0.059 0.000 1.275 1303 E HN 0.295 nan 8.360 nan 0.000 0.451 1304 W N 1.569 122.853 121.300 -0.027 0.000 2.315 1304 W HA 0.486 5.146 4.660 -0.000 0.000 0.316 1304 W C -0.587 175.831 176.519 -0.169 0.000 1.211 1304 W CA -0.337 56.945 57.345 -0.105 0.000 1.201 1304 W CB 1.618 31.036 29.460 -0.069 0.000 1.184 1304 W HN 0.244 nan 8.180 nan 0.000 0.544 1305 V N 4.204 124.069 119.914 -0.082 0.000 3.040 1305 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 1305 V C -0.398 175.576 176.094 -0.200 0.000 1.115 1305 V CA -1.352 60.774 62.300 -0.289 0.000 0.998 1305 V CB 1.957 33.362 31.823 -0.696 0.000 1.042 1305 V HN 0.271 nan 8.190 nan 0.000 0.433 1306 L N 2.228 123.345 121.223 -0.177 0.000 2.313 1306 L HA 0.619 4.959 4.340 -0.000 0.000 0.283 1306 L C -0.329 176.500 176.870 -0.068 0.000 1.013 1306 L CA -0.395 54.392 54.840 -0.089 0.000 0.816 1306 L CB 1.605 43.633 42.059 -0.051 0.000 1.236 1306 L HN 0.642 nan 8.230 nan 0.000 0.419 1307 E N 2.072 122.260 120.200 -0.021 0.000 2.129 1307 E HA 0.347 4.697 4.350 -0.000 0.000 0.268 1307 E C -0.431 176.189 176.600 0.034 0.000 0.900 1307 E CA -0.476 55.939 56.400 0.025 0.000 0.755 1307 E CB 2.098 31.835 29.700 0.062 0.000 1.117 1307 E HN 0.609 nan 8.360 nan 0.000 0.410 1308 T N -0.008 114.565 114.554 0.033 0.000 2.945 1308 T HA 0.414 4.764 4.350 -0.000 0.000 0.286 1308 T C -0.455 174.261 174.700 0.026 0.000 1.025 1308 T CA -0.960 61.159 62.100 0.030 0.000 1.039 1308 T CB 1.233 70.115 68.868 0.023 0.000 1.068 1308 T HN 0.125 nan 8.240 nan 0.000 0.497 1309 D N 0.559 120.972 120.400 0.021 0.000 2.441 1309 D HA 0.645 5.285 4.640 -0.000 0.000 0.231 1309 D C 0.234 176.536 176.300 0.004 0.000 1.073 1309 D CA 0.411 54.419 54.000 0.012 0.000 0.850 1309 D CB 0.821 41.627 40.800 0.011 0.000 1.062 1309 D HN 1.122 nan 8.370 nan 0.000 0.524 1310 G N 0.138 108.935 108.800 -0.005 0.000 2.592 1310 G HA2 0.184 4.144 3.960 -0.000 0.000 0.685 1310 G HA3 0.184 4.144 3.960 -0.000 0.000 0.685 1310 G C -1.377 173.511 174.900 -0.021 0.000 1.278 1310 G CA -1.014 44.076 45.100 -0.017 0.000 0.822 1310 G HN 0.413 nan 8.290 nan 0.000 0.652 1311 V N 1.782 121.676 119.914 -0.034 0.000 2.735 1311 V HA 0.856 4.976 4.120 -0.000 0.000 0.310 1311 V C -0.221 175.849 176.094 -0.039 0.000 1.061 1311 V CA -0.921 61.357 62.300 -0.036 0.000 0.913 1311 V CB 2.233 34.026 31.823 -0.050 0.000 1.005 1311 V HN 1.013 nan 8.190 nan 0.000 0.428 1312 N N 2.835 121.517 118.700 -0.030 0.000 2.884 1312 N HA 0.114 4.854 4.740 -0.000 0.000 0.211 1312 N C 0.110 175.612 175.510 -0.013 0.000 1.442 1312 N CA -0.323 52.711 53.050 -0.027 0.000 0.757 1312 N CB 1.135 39.604 38.487 -0.031 0.000 1.461 1312 N HN 0.548 nan 8.380 nan 0.000 0.557 1313 L N 1.984 123.200 121.223 -0.012 0.000 1.970 1313 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 1313 L C 2.279 179.156 176.870 0.011 0.000 1.071 1313 L CA 2.685 57.527 54.840 0.003 0.000 0.751 1313 L CB -0.977 41.083 42.059 0.001 0.000 0.889 1313 L HN 0.540 nan 8.230 nan 0.000 0.432 1314 S N -1.107 114.596 115.700 0.005 0.000 2.380 1314 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 1314 S C 1.783 176.388 174.600 0.009 0.000 1.043 1314 S CA 1.749 59.954 58.200 0.008 0.000 1.038 1314 S CB -0.872 62.329 63.200 0.002 0.000 0.872 1314 S HN 0.683 nan 8.310 nan 0.000 0.456 1315 E N 0.618 120.820 120.200 0.003 0.000 2.051 1315 E HA 0.032 4.382 4.350 -0.000 0.000 0.189 1315 E C 2.260 178.867 176.600 0.011 0.000 0.979 1315 E CA 0.960 57.362 56.400 0.004 0.000 0.803 1315 E CB -0.263 29.435 29.700 -0.003 0.000 0.761 1315 E HN 0.375 nan 8.360 nan 0.000 0.451 1316 V N 1.866 121.788 119.914 0.014 0.000 2.427 1316 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 1316 V C 2.419 178.532 176.094 0.031 0.000 1.051 1316 V CA 1.712 64.025 62.300 0.022 0.000 1.048 1316 V CB -0.395 31.442 31.823 0.023 0.000 0.666 1316 V HN 0.350 nan 8.190 nan 0.000 0.456 1317 M N -0.301 119.320 119.600 0.035 0.000 2.195 1317 M HA -0.233 4.246 4.480 -0.000 0.000 0.260 1317 M C 1.927 178.251 176.300 0.040 0.000 1.066 1317 M CA 2.214 57.542 55.300 0.046 0.000 1.089 1317 M CB -0.292 32.335 32.600 0.045 0.000 1.377 1317 M HN 0.335 nan 8.290 nan 0.000 0.411 1318 T N 0.391 114.962 114.554 0.029 0.000 3.129 1318 T HA 0.160 4.509 4.350 -0.000 0.000 0.251 1318 T C 0.153 174.866 174.700 0.022 0.000 1.117 1318 T CA -0.136 61.979 62.100 0.024 0.000 1.034 1318 T CB -0.236 68.643 68.868 0.018 0.000 0.968 1318 T HN 0.122 nan 8.240 nan 0.000 0.526 1319 V N 5.147 125.075 119.914 0.023 0.000 2.637 1319 V HA 0.223 4.343 4.120 -0.000 0.000 0.296 1319 V C -1.752 174.354 176.094 0.021 0.000 1.046 1319 V CA -1.666 60.644 62.300 0.018 0.000 1.066 1319 V CB 0.899 32.732 31.823 0.016 0.000 0.968 1319 V HN 0.324 nan 8.190 nan 0.000 0.483 1320 P HA 0.243 nan 4.420 nan 0.000 0.272 1320 P C 0.773 178.082 177.300 0.014 0.000 1.230 1320 P CA 0.833 63.942 63.100 0.015 0.000 0.788 1320 P CB 1.040 32.743 31.700 0.005 0.000 0.949 1321 G N 1.165 109.980 108.800 0.025 0.000 2.241 1321 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.244 1321 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.244 1321 G C 0.299 175.235 174.900 0.061 0.000 0.998 1321 G CA 0.303 45.420 45.100 0.028 0.000 0.621 1321 G HN 0.767 nan 8.290 nan 0.000 0.519 1322 I N -2.240 118.369 120.570 0.064 0.000 3.514 1322 I HA 0.790 4.960 4.170 -0.000 0.000 0.300 1322 I C -0.497 175.680 176.117 0.101 0.000 1.194 1322 I CA -0.932 60.422 61.300 0.089 0.000 0.968 1322 I CB 1.444 39.493 38.000 0.083 0.000 1.418 1322 I HN -0.079 nan 8.210 nan 0.000 0.614 1323 D N 2.623 123.099 120.400 0.127 0.000 2.479 1323 D HA 0.302 4.942 4.640 -0.000 0.000 0.247 1323 D C -1.749 174.617 176.300 0.110 0.000 1.119 1323 D CA -2.165 51.902 54.000 0.112 0.000 0.922 1323 D CB 1.094 41.971 40.800 0.129 0.000 1.014 1323 D HN 0.361 nan 8.370 nan 0.000 0.510 1324 P HA -0.125 nan 4.420 nan 0.000 0.224 1324 P C 1.221 178.567 177.300 0.076 0.000 1.142 1324 P CA 0.792 63.940 63.100 0.080 0.000 0.778 1324 P CB 0.362 32.097 31.700 0.058 0.000 0.764 1325 T N -0.749 113.842 114.554 0.062 0.000 3.023 1325 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 1325 T C 1.639 176.360 174.700 0.034 0.000 1.093 1325 T CA 0.793 62.916 62.100 0.039 0.000 1.129 1325 T CB -0.120 68.758 68.868 0.017 0.000 0.899 1325 T HN 0.216 nan 8.240 nan 0.000 0.491 1326 R N -0.253 120.281 120.500 0.057 0.000 2.476 1326 R HA 0.406 4.745 4.340 -0.000 0.000 0.276 1326 R C 0.526 176.952 176.300 0.210 0.000 0.941 1326 R CA -0.260 55.854 56.100 0.023 0.000 1.088 1326 R CB 0.507 30.703 30.300 -0.174 0.000 1.216 1326 R HN 0.329 nan 8.270 nan 0.000 0.533 1327 I N 1.469 122.190 120.570 0.251 0.000 2.880 1327 I HA -0.147 4.023 4.170 -0.000 0.000 0.296 1327 I C -0.632 175.702 176.117 0.362 0.000 1.220 1327 I CA 0.616 62.100 61.300 0.306 0.000 1.435 1327 I CB 0.275 38.390 38.000 0.191 0.000 1.339 1327 I HN -0.003 nan 8.210 nan 0.000 0.583 1328 Y N 5.807 126.231 120.300 0.206 0.000 2.644 1328 Y HA 0.590 5.140 4.550 -0.000 0.000 0.338 1328 Y C -0.684 175.298 175.900 0.136 0.000 1.119 1328 Y CA -0.680 57.524 58.100 0.173 0.000 1.060 1328 Y CB 1.947 40.538 38.460 0.218 0.000 1.294 1328 Y HN 0.575 nan 8.280 nan 0.000 0.472 1329 T N 2.230 116.267 114.554 -0.862 0.000 3.047 1329 T HA 0.199 4.549 4.350 -0.000 0.000 0.340 1329 T C -0.614 173.580 174.700 -0.844 0.000 1.421 1329 T CA -0.491 61.252 62.100 -0.595 0.000 1.090 1329 T CB 0.373 69.094 68.868 -0.246 0.000 1.292 1329 T HN 0.780 nan 8.240 nan 0.000 0.480 1330 N N 2.069 120.536 118.700 -0.389 0.000 2.521 1330 N HA 0.045 4.785 4.740 -0.000 0.000 0.188 1330 N C 0.625 176.117 175.510 -0.030 0.000 1.146 1330 N CA 0.083 53.047 53.050 -0.142 0.000 0.893 1330 N CB 0.209 38.708 38.487 0.019 0.000 0.975 1330 N HN 0.307 nan 8.380 nan 0.000 0.451 1331 S N 0.789 116.414 115.700 -0.126 0.000 3.729 1331 S HA 0.162 4.631 4.470 -0.000 0.000 0.235 1331 S C 0.670 175.169 174.600 -0.168 0.000 1.367 1331 S CA -0.987 57.113 58.200 -0.166 0.000 0.907 1331 S CB -1.268 61.833 63.200 -0.165 0.000 1.471 1331 S HN 0.332 nan 8.310 nan 0.000 0.476 1332 F N 2.236 122.162 119.950 -0.041 0.000 2.287 1332 F HA -0.097 4.430 4.527 -0.000 0.000 0.301 1332 F C 1.427 177.234 175.800 0.011 0.000 1.069 1332 F CA 0.878 58.879 58.000 0.001 0.000 1.372 1332 F CB -0.710 38.318 39.000 0.045 0.000 1.056 1332 F HN 0.457 nan 8.300 nan 0.000 0.523 1333 I N 1.091 121.347 120.570 -0.523 0.000 2.179 1333 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 1333 I C 2.241 178.287 176.117 -0.119 0.000 1.088 1333 I CA 1.708 62.828 61.300 -0.299 0.000 1.357 1333 I CB -0.573 37.202 38.000 -0.376 0.000 1.051 1333 I HN 0.182 nan 8.210 nan 0.000 0.409 1334 D N 0.772 121.097 120.400 -0.126 0.000 2.144 1334 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 1334 D C 2.284 178.573 176.300 -0.017 0.000 0.984 1334 D CA 1.275 55.236 54.000 -0.065 0.000 0.834 1334 D CB 0.045 40.801 40.800 -0.074 0.000 0.955 1334 D HN 0.356 nan 8.370 nan 0.000 0.465 1335 I N 1.187 121.760 120.570 0.005 0.000 2.179 1335 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 1335 I C 2.632 178.792 176.117 0.072 0.000 1.088 1335 I CA 0.773 62.108 61.300 0.057 0.000 1.357 1335 I CB -0.233 37.833 38.000 0.111 0.000 1.051 1335 I HN 0.025 nan 8.210 nan 0.000 0.409 1336 M N 0.682 120.334 119.600 0.086 0.000 2.267 1336 M HA -0.230 4.250 4.480 -0.000 0.000 0.263 1336 M C 1.690 178.022 176.300 0.052 0.000 1.063 1336 M CA 1.949 57.301 55.300 0.086 0.000 1.090 1336 M CB -0.304 32.363 32.600 0.112 0.000 1.392 1336 M HN 0.265 nan 8.290 nan 0.000 0.422 1337 E N -0.897 119.321 120.200 0.030 0.000 2.318 1337 E HA -0.049 4.300 4.350 -0.000 0.000 0.193 1337 E C 1.915 178.526 176.600 0.020 0.000 0.998 1337 E CA 0.682 57.093 56.400 0.018 0.000 0.859 1337 E CB 0.357 30.058 29.700 0.001 0.000 0.812 1337 E HN 0.393 nan 8.360 nan 0.000 0.492 1338 V N 0.625 120.554 119.914 0.024 0.000 2.672 1338 V HA -0.026 4.094 4.120 -0.000 0.000 0.242 1338 V C 1.822 177.937 176.094 0.035 0.000 1.059 1338 V CA 0.823 63.139 62.300 0.026 0.000 1.081 1338 V CB 0.078 31.915 31.823 0.025 0.000 0.752 1338 V HN 0.205 nan 8.190 nan 0.000 0.472 1339 L N -0.092 121.159 121.223 0.047 0.000 2.554 1339 L HA 0.554 4.894 4.340 -0.000 0.000 0.225 1339 L C 1.021 177.922 176.870 0.051 0.000 1.104 1339 L CA 0.756 55.627 54.840 0.052 0.000 0.866 1339 L CB -0.026 42.075 42.059 0.070 0.000 1.047 1339 L HN 0.518 nan 8.230 nan 0.000 0.468 1340 G N 0.192 109.024 108.800 0.053 0.000 2.555 1340 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.686 1340 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.686 1340 G C 0.204 175.144 174.900 0.066 0.000 1.275 1340 G CA -0.212 44.919 45.100 0.052 0.000 0.871 1340 G HN -0.026 nan 8.290 nan 0.000 0.603 1341 I N 0.106 120.713 120.570 0.063 0.000 2.208 1341 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 1341 I C 2.507 178.671 176.117 0.077 0.000 1.097 1341 I CA 2.164 63.508 61.300 0.075 0.000 1.363 1341 I CB -0.082 37.958 38.000 0.066 0.000 1.051 1341 I HN 0.682 nan 8.210 nan 0.000 0.413 1342 E N 1.008 121.245 120.200 0.063 0.000 2.058 1342 E HA -0.233 4.116 4.350 -0.000 0.000 0.194 1342 E C 2.164 178.805 176.600 0.070 0.000 0.997 1342 E CA 1.569 58.005 56.400 0.058 0.000 0.801 1342 E CB -0.353 29.372 29.700 0.041 0.000 0.746 1342 E HN 0.632 nan 8.360 nan 0.000 0.450 1343 A N 0.702 123.568 122.820 0.076 0.000 1.930 1343 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 1343 A C 2.480 180.144 177.584 0.134 0.000 1.175 1343 A CA 1.755 53.850 52.037 0.097 0.000 0.627 1343 A CB -0.951 18.105 19.000 0.094 0.000 0.815 1343 A HN 0.335 nan 8.150 nan 0.000 0.443 1344 G N -0.552 108.328 108.800 0.132 0.000 2.440 1344 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 1344 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 1344 G C 1.761 176.759 174.900 0.164 0.000 1.154 1344 G CA 1.025 46.230 45.100 0.175 0.000 0.767 1344 G HN 0.516 nan 8.290 nan 0.000 0.552 1345 R N 0.473 121.046 120.500 0.120 0.000 2.073 1345 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 1345 R C 2.950 179.322 176.300 0.120 0.000 1.134 1345 R CA 1.438 57.596 56.100 0.097 0.000 0.952 1345 R CB -0.422 29.924 30.300 0.077 0.000 0.850 1345 R HN 0.304 nan 8.270 nan 0.000 0.433 1346 A N 0.813 123.709 122.820 0.126 0.000 1.865 1346 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 1346 A C 2.362 180.074 177.584 0.213 0.000 1.191 1346 A CA 1.917 54.044 52.037 0.151 0.000 0.623 1346 A CB -0.853 18.209 19.000 0.103 0.000 0.826 1346 A HN 0.528 nan 8.150 nan 0.000 0.444 1347 A N -0.768 122.192 122.820 0.233 0.000 1.940 1347 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 1347 A C 2.124 179.830 177.584 0.203 0.000 1.176 1347 A CA 1.781 54.014 52.037 0.326 0.000 0.631 1347 A CB -0.583 18.649 19.000 0.388 0.000 0.814 1347 A HN 0.724 nan 8.150 nan 0.000 0.446 1348 L N -1.726 119.536 121.223 0.064 0.000 2.141 1348 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 1348 L C 2.219 179.040 176.870 -0.083 0.000 1.094 1348 L CA 2.115 56.822 54.840 -0.222 0.000 0.763 1348 L CB -0.773 41.096 42.059 -0.316 0.000 0.908 1348 L HN 0.540 nan 8.230 nan 0.000 0.437 1349 Y N 0.335 120.622 120.300 -0.022 0.000 2.184 1349 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 1349 Y C 2.636 178.593 175.900 0.095 0.000 1.129 1349 Y CA 2.178 60.290 58.100 0.020 0.000 1.144 1349 Y CB -0.211 38.273 38.460 0.039 0.000 0.995 1349 Y HN 0.185 nan 8.280 nan 0.000 0.513 1350 K N -0.047 120.417 120.400 0.107 0.000 2.211 1350 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 1350 K C 1.764 178.424 176.600 0.100 0.000 1.047 1350 K CA 1.690 58.034 56.287 0.094 0.000 0.935 1350 K CB 0.024 32.623 32.500 0.164 0.000 0.728 1350 K HN 0.329 nan 8.250 nan 0.000 0.452 1351 E N 0.131 120.372 120.200 0.068 0.000 2.033 1351 E HA -0.095 4.255 4.350 -0.000 0.000 0.189 1351 E C 2.129 178.711 176.600 -0.031 0.000 0.979 1351 E CA 0.837 57.271 56.400 0.057 0.000 0.802 1351 E CB -0.327 29.401 29.700 0.048 0.000 0.763 1351 E HN 0.081 nan 8.360 nan 0.000 0.449 1352 V N 1.382 121.227 119.914 -0.116 0.000 2.332 1352 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 1352 V C 2.294 178.308 176.094 -0.133 0.000 1.055 1352 V CA 1.967 64.188 62.300 -0.131 0.000 1.038 1352 V CB -0.710 31.019 31.823 -0.156 0.000 0.651 1352 V HN 0.243 nan 8.190 nan 0.000 0.450 1353 Y N 1.890 121.982 120.300 -0.346 0.000 2.128 1353 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 1353 Y C 2.537 178.361 175.900 -0.126 0.000 1.154 1353 Y CA 2.108 60.020 58.100 -0.313 0.000 1.149 1353 Y CB -0.390 37.764 38.460 -0.508 0.000 0.976 1353 Y HN 0.284 nan 8.280 nan 0.000 0.505 1354 N N -0.116 118.546 118.700 -0.063 0.000 2.166 1354 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 1354 N C 1.954 177.385 175.510 -0.131 0.000 1.019 1354 N CA 1.558 54.552 53.050 -0.093 0.000 0.856 1354 N CB -0.581 37.935 38.487 0.049 0.000 0.993 1354 N HN 0.322 nan 8.380 nan 0.000 0.426 1355 V N 1.346 121.199 119.914 -0.101 0.000 2.407 1355 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 1355 V C 2.120 178.142 176.094 -0.119 0.000 1.055 1355 V CA 1.136 63.386 62.300 -0.083 0.000 1.049 1355 V CB -0.262 31.526 31.823 -0.059 0.000 0.662 1355 V HN 0.240 nan 8.190 nan 0.000 0.455 1356 I N 0.103 120.566 120.570 -0.178 0.000 2.584 1356 I HA -0.049 4.121 4.170 -0.000 0.000 0.255 1356 I C 2.392 178.386 176.117 -0.205 0.000 1.145 1356 I CA 1.091 62.286 61.300 -0.175 0.000 1.462 1356 I CB -0.347 37.548 38.000 -0.175 0.000 1.102 1356 I HN 0.249 nan 8.210 nan 0.000 0.433 1357 A N 0.478 123.098 122.820 -0.332 0.000 2.208 1357 A HA -0.083 4.237 4.320 -0.000 0.000 0.209 1357 A C 2.380 179.874 177.584 -0.150 0.000 1.161 1357 A CA 1.138 53.000 52.037 -0.291 0.000 0.782 1357 A CB -0.506 18.194 19.000 -0.500 0.000 0.816 1357 A HN 0.481 nan 8.150 nan 0.000 0.477 1358 S N 0.083 115.711 115.700 -0.121 0.000 2.402 1358 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 1358 S C 0.973 175.545 174.600 -0.046 0.000 1.021 1358 S CA 1.345 59.505 58.200 -0.066 0.000 0.974 1358 S CB -0.303 62.867 63.200 -0.050 0.000 0.800 1358 S HN 0.549 nan 8.310 nan 0.000 0.484 1359 D N 0.869 121.239 120.400 -0.050 0.000 2.342 1359 D HA 0.270 4.910 4.640 -0.000 0.000 0.221 1359 D C 1.366 177.652 176.300 -0.024 0.000 1.101 1359 D CA 0.640 54.622 54.000 -0.031 0.000 0.837 1359 D CB 0.376 41.157 40.800 -0.032 0.000 0.938 1359 D HN 0.616 nan 8.370 nan 0.000 0.508 1360 G N 1.190 109.970 108.800 -0.033 0.000 2.205 1360 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.261 1360 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.261 1360 G C 0.563 175.466 174.900 0.006 0.000 0.980 1360 G CA 0.333 45.423 45.100 -0.016 0.000 0.632 1360 G HN 0.329 nan 8.290 nan 0.000 0.533 1361 S N 0.116 115.812 115.700 -0.006 0.000 2.558 1361 S HA 0.427 4.896 4.470 -0.000 0.000 0.288 1361 S C -0.255 174.387 174.600 0.069 0.000 1.318 1361 S CA 0.147 58.359 58.200 0.020 0.000 1.056 1361 S CB 1.194 64.382 63.200 -0.022 0.000 0.853 1361 S HN 0.784 nan 8.310 nan 0.000 0.505 1362 Y N 2.125 122.421 120.300 -0.007 0.000 2.429 1362 Y HA 0.634 5.184 4.550 -0.000 0.000 0.342 1362 Y C -1.048 174.896 175.900 0.074 0.000 1.004 1362 Y CA -1.242 56.877 58.100 0.032 0.000 1.075 1362 Y CB 1.132 39.621 38.460 0.049 0.000 1.214 1362 Y HN 0.396 nan 8.280 nan 0.000 0.455 1363 V N 5.917 125.373 119.914 -0.763 0.000 2.655 1363 V HA 0.177 4.296 4.120 -0.000 0.000 0.301 1363 V C -0.610 175.136 176.094 -0.580 0.000 1.082 1363 V CA -1.408 60.566 62.300 -0.543 0.000 0.899 1363 V CB 1.634 33.371 31.823 -0.144 0.000 1.014 1363 V HN 0.887 nan 8.190 nan 0.000 0.429 1364 N N 2.550 120.989 118.700 -0.435 0.000 2.293 1364 N HA -0.089 4.650 4.740 -0.000 0.000 0.253 1364 N C 1.035 176.578 175.510 0.055 0.000 1.248 1364 N CA 0.400 53.399 53.050 -0.084 0.000 0.845 1364 N CB 0.319 38.811 38.487 0.008 0.000 1.073 1364 N HN 0.708 nan 8.380 nan 0.000 0.464 1365 Y N 4.708 125.060 120.300 0.086 0.000 2.002 1365 Y HA -0.433 4.116 4.550 -0.000 0.000 0.268 1365 Y C 2.224 178.107 175.900 -0.029 0.000 1.177 1365 Y CA 2.691 60.856 58.100 0.110 0.000 1.111 1365 Y CB -0.303 38.192 38.460 0.058 0.000 0.952 1365 Y HN 0.737 nan 8.280 nan 0.000 0.491 1366 R N -0.972 119.370 120.500 -0.263 0.000 2.153 1366 R HA -0.287 4.053 4.340 -0.000 0.000 0.252 1366 R C 1.845 177.923 176.300 -0.370 0.000 1.158 1366 R CA 2.058 57.873 56.100 -0.475 0.000 0.975 1366 R CB -1.470 28.461 30.300 -0.615 0.000 0.871 1366 R HN 0.500 nan 8.270 nan 0.000 0.450 1367 H N 0.779 119.810 119.070 -0.066 0.000 2.326 1367 H HA 0.025 4.580 4.556 -0.000 0.000 0.301 1367 H C 2.235 177.538 175.328 -0.043 0.000 1.081 1367 H CA 1.828 57.864 56.048 -0.021 0.000 1.334 1367 H CB -0.264 29.493 29.762 -0.009 0.000 1.385 1367 H HN 0.306 nan 8.280 nan 0.000 0.504 1368 M N -0.041 119.602 119.600 0.071 0.000 2.349 1368 M HA 0.045 4.525 4.480 -0.000 0.000 0.266 1368 M C 2.644 178.960 176.300 0.027 0.000 1.076 1368 M CA 0.847 56.191 55.300 0.073 0.000 1.126 1368 M CB -0.040 32.642 32.600 0.137 0.000 1.392 1368 M HN 0.196 nan 8.290 nan 0.000 0.440 1369 A N 0.780 123.465 122.820 -0.225 0.000 1.877 1369 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 1369 A C 2.087 179.571 177.584 -0.167 0.000 1.186 1369 A CA 1.303 53.091 52.037 -0.415 0.000 0.620 1369 A CB -0.753 17.614 19.000 -1.054 0.000 0.822 1369 A HN 0.407 nan 8.150 nan 0.000 0.443 1370 L N -0.591 120.568 121.223 -0.106 0.000 2.046 1370 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 1370 L C 2.273 179.145 176.870 0.002 0.000 1.077 1370 L CA 2.090 56.924 54.840 -0.010 0.000 0.747 1370 L CB -0.753 41.349 42.059 0.072 0.000 0.896 1370 L HN 0.411 nan 8.230 nan 0.000 0.432 1371 L N -1.199 120.027 121.223 0.005 0.000 1.970 1371 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 1371 L C 2.402 179.269 176.870 -0.005 0.000 1.071 1371 L CA 1.966 56.805 54.840 -0.000 0.000 0.751 1371 L CB -0.876 41.178 42.059 -0.007 0.000 0.889 1371 L HN 0.066 nan 8.230 nan 0.000 0.432 1372 V N 0.238 120.153 119.914 0.000 0.000 2.469 1372 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 1372 V C 2.258 178.359 176.094 0.012 0.000 1.064 1372 V CA 2.011 64.314 62.300 0.006 0.000 1.066 1372 V CB -0.835 31.021 31.823 0.055 0.000 0.667 1372 V HN 0.548 nan 8.190 nan 0.000 0.461 1373 D N -0.368 120.035 120.400 0.004 0.000 2.103 1373 D HA -0.093 4.546 4.640 -0.000 0.000 0.199 1373 D C 2.215 178.525 176.300 0.016 0.000 0.978 1373 D CA 1.184 55.191 54.000 0.012 0.000 0.829 1373 D CB -0.110 40.693 40.800 0.004 0.000 0.981 1373 D HN 0.314 nan 8.370 nan 0.000 0.464 1374 V N 1.495 121.415 119.914 0.011 0.000 2.392 1374 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 1374 V C 2.446 178.555 176.094 0.025 0.000 1.059 1374 V CA 1.340 63.648 62.300 0.013 0.000 1.051 1374 V CB -0.393 31.436 31.823 0.009 0.000 0.658 1374 V HN 0.241 nan 8.190 nan 0.000 0.455 1375 M N -1.206 118.409 119.600 0.026 0.000 2.557 1375 M HA -0.090 4.390 4.480 -0.000 0.000 0.259 1375 M C 1.739 178.073 176.300 0.058 0.000 1.086 1375 M CA 1.279 56.605 55.300 0.043 0.000 1.096 1375 M CB -0.245 32.371 32.600 0.027 0.000 1.424 1375 M HN 0.309 nan 8.290 nan 0.000 0.488 1376 T N -1.151 113.432 114.554 0.048 0.000 2.955 1376 T HA 0.030 4.380 4.350 -0.000 0.000 0.251 1376 T C 1.580 176.310 174.700 0.051 0.000 1.002 1376 T CA 0.515 62.649 62.100 0.057 0.000 0.970 1376 T CB 0.226 69.128 68.868 0.057 0.000 1.091 1376 T HN 0.273 nan 8.240 nan 0.000 0.495 1377 T N 2.830 117.407 114.554 0.039 0.000 2.718 1377 T HA -0.213 4.136 4.350 -0.000 0.000 0.266 1377 T C 1.414 176.136 174.700 0.037 0.000 1.033 1377 T CA 1.440 63.560 62.100 0.033 0.000 1.151 1377 T CB -0.324 68.553 68.868 0.015 0.000 0.853 1377 T HN 0.470 nan 8.240 nan 0.000 0.466 1378 Q N 0.288 120.110 119.800 0.036 0.000 2.239 1378 Q HA 0.408 4.747 4.340 -0.000 0.000 0.219 1378 Q C 1.588 177.611 176.000 0.038 0.000 0.901 1378 Q CA 0.213 56.037 55.803 0.034 0.000 0.949 1378 Q CB 0.108 28.863 28.738 0.028 0.000 1.038 1378 Q HN 0.612 nan 8.270 nan 0.000 0.458 1379 G N -0.524 108.304 108.800 0.046 0.000 2.212 1379 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.266 1379 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.266 1379 G C 0.314 175.245 174.900 0.051 0.000 0.978 1379 G CA -0.098 45.030 45.100 0.047 0.000 0.632 1379 G HN 0.613 nan 8.290 nan 0.000 0.537 1380 G N -1.250 107.584 108.800 0.055 0.000 2.725 1380 G HA2 0.644 4.604 3.960 -0.000 0.000 0.288 1380 G HA3 0.644 4.604 3.960 -0.000 0.000 0.288 1380 G C -0.539 174.414 174.900 0.087 0.000 1.399 1380 G CA -1.045 44.094 45.100 0.065 0.000 0.859 1380 G HN 0.665 nan 8.290 nan 0.000 0.479 1381 L N 1.857 123.149 121.223 0.115 0.000 2.401 1381 L HA 0.247 4.587 4.340 -0.000 0.000 0.283 1381 L C 0.254 177.221 176.870 0.161 0.000 1.151 1381 L CA -0.129 54.810 54.840 0.165 0.000 0.942 1381 L CB 0.150 42.357 42.059 0.247 0.000 1.283 1381 L HN 0.311 nan 8.230 nan 0.000 0.442 1382 T N 1.369 116.006 114.554 0.139 0.000 2.729 1382 T HA 0.094 4.443 4.350 -0.000 0.000 0.296 1382 T C 0.473 175.303 174.700 0.217 0.000 0.928 1382 T CA -0.193 62.007 62.100 0.166 0.000 1.045 1382 T CB 1.223 70.158 68.868 0.111 0.000 0.902 1382 T HN 0.522 nan 8.240 nan 0.000 0.500 1383 S N 2.328 118.241 115.700 0.355 0.000 2.573 1383 S HA 0.130 4.600 4.470 -0.000 0.000 0.277 1383 S C 1.386 175.988 174.600 0.004 0.000 1.346 1383 S CA -0.707 57.555 58.200 0.103 0.000 1.034 1383 S CB 0.348 63.431 63.200 -0.194 0.000 0.879 1383 S HN 0.460 nan 8.310 nan 0.000 0.528 1384 V N 2.758 122.631 119.914 -0.069 0.000 2.436 1384 V HA 0.017 4.136 4.120 -0.000 0.000 0.240 1384 V C 1.277 177.283 176.094 -0.146 0.000 1.040 1384 V CA 1.110 63.363 62.300 -0.078 0.000 1.052 1384 V CB -1.244 30.536 31.823 -0.071 0.000 0.707 1384 V HN 0.967 nan 8.190 nan 0.000 0.469 1385 T N 3.799 118.246 114.554 -0.178 0.000 3.354 1385 T HA 0.098 4.447 4.350 -0.000 0.000 0.222 1385 T C 0.446 175.033 174.700 -0.188 0.000 0.997 1385 T CA -0.025 61.959 62.100 -0.194 0.000 1.742 1385 T CB -1.405 67.392 68.868 -0.117 0.000 1.109 1385 T HN 0.765 nan 8.240 nan 0.000 0.657 1386 R N 0.457 120.861 120.500 -0.159 0.000 2.039 1386 R HA -0.265 4.075 4.340 -0.000 0.000 0.308 1386 R C -0.422 175.792 176.300 -0.144 0.000 1.157 1386 R CA 0.627 56.658 56.100 -0.115 0.000 1.130 1386 R CB -1.020 29.230 30.300 -0.083 0.000 3.108 1386 R HN 0.559 nan 8.270 nan 0.000 0.505 1387 H N 2.636 121.658 119.070 -0.080 0.000 2.315 1387 H HA 0.177 4.732 4.556 -0.000 0.000 0.318 1387 H C 1.357 176.607 175.328 -0.129 0.000 1.068 1387 H CA 1.464 57.466 56.048 -0.076 0.000 1.465 1387 H CB -0.105 29.650 29.762 -0.011 0.000 1.475 1387 H HN 0.726 nan 8.280 nan 0.000 0.597 1388 G N -0.443 108.424 108.800 0.111 0.000 2.467 1388 G HA2 0.190 4.150 3.960 -0.000 0.000 0.257 1388 G HA3 0.190 4.150 3.960 -0.000 0.000 0.257 1388 G C -0.045 174.883 174.900 0.047 0.000 1.227 1388 G CA -0.399 44.775 45.100 0.122 0.000 0.835 1388 G HN 0.145 nan 8.290 nan 0.000 0.556 1389 F N -0.061 119.943 119.950 0.090 0.000 2.710 1389 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 1389 F C 1.199 177.055 175.800 0.093 0.000 1.137 1389 F CA 0.025 58.110 58.000 0.141 0.000 1.444 1389 F CB 0.265 39.314 39.000 0.082 0.000 1.111 1389 F HN 0.224 nan 8.300 nan 0.000 0.580 1390 N N 0.983 119.801 118.700 0.197 0.000 2.707 1390 N HA 0.391 5.130 4.740 -0.000 0.000 0.249 1390 N C -0.301 175.242 175.510 0.054 0.000 1.299 1390 N CA -0.087 53.006 53.050 0.071 0.000 0.769 1390 N CB 1.451 39.913 38.487 -0.041 0.000 1.236 1390 N HN 0.148 nan 8.380 nan 0.000 0.524 1391 R N -0.569 119.968 120.500 0.062 0.000 4.170 1391 R HA -0.107 4.232 4.340 -0.000 0.000 0.155 1391 R C -0.367 175.958 176.300 0.042 0.000 0.550 1391 R CA 0.583 56.706 56.100 0.038 0.000 0.599 1391 R CB -1.254 29.060 30.300 0.023 0.000 1.286 1391 R HN 0.524 nan 8.270 nan 0.000 0.441 1392 S N -0.988 114.732 115.700 0.033 0.000 4.504 1392 S HA -0.013 4.457 4.470 -0.000 0.000 0.075 1392 S C -0.437 174.175 174.600 0.021 0.000 0.897 1392 S CA 0.146 58.366 58.200 0.033 0.000 0.915 1392 S CB -0.444 62.773 63.200 0.027 0.000 0.495 1392 S HN 0.724 nan 8.310 nan 0.000 0.786 1393 N N 0.611 119.320 118.700 0.015 0.000 4.441 1393 N HA 0.046 4.786 4.740 -0.000 0.000 0.164 1393 N C -0.806 174.708 175.510 0.007 0.000 0.820 1393 N CA 0.916 53.972 53.050 0.010 0.000 2.689 1393 N CB -0.518 37.974 38.487 0.007 0.000 1.504 1393 N HN 0.577 nan 8.380 nan 0.000 0.805 1394 T N -1.173 113.385 114.554 0.007 0.000 2.573 1394 T HA 0.907 5.257 4.350 -0.000 0.000 0.259 1394 T C 0.309 175.014 174.700 0.008 0.000 0.886 1394 T CA -0.290 61.814 62.100 0.006 0.000 1.110 1394 T CB 1.952 70.823 68.868 0.005 0.000 1.421 1394 T HN 0.275 nan 8.240 nan 0.000 0.523 1395 G N -0.649 108.155 108.800 0.007 0.000 2.667 1395 G HA2 0.563 4.522 3.960 -0.000 0.000 0.298 1395 G HA3 0.563 4.522 3.960 -0.000 0.000 0.298 1395 G C 0.360 175.247 174.900 -0.020 0.000 1.377 1395 G CA -0.131 44.980 45.100 0.018 0.000 0.964 1395 G HN 0.797 nan 8.290 nan 0.000 0.493 1396 A N 0.962 123.724 122.820 -0.096 0.000 2.292 1396 A HA 0.144 4.464 4.320 -0.000 0.000 0.209 1396 A C 1.627 179.152 177.584 -0.099 0.000 1.209 1396 A CA 0.914 52.803 52.037 -0.246 0.000 0.746 1396 A CB -0.357 18.186 19.000 -0.762 0.000 0.764 1396 A HN 0.538 nan 8.150 nan 0.000 0.492 1397 L N -2.072 119.166 121.223 0.025 0.000 2.526 1397 L HA 0.214 4.554 4.340 -0.000 0.000 0.210 1397 L C 1.252 178.136 176.870 0.024 0.000 1.048 1397 L CA -0.199 54.677 54.840 0.061 0.000 0.852 1397 L CB -0.339 41.787 42.059 0.111 0.000 1.128 1397 L HN 0.343 nan 8.230 nan 0.000 0.482 1398 M N 0.834 120.444 119.600 0.017 0.000 2.231 1398 M HA -0.076 4.403 4.480 -0.000 0.000 0.299 1398 M C 0.628 176.930 176.300 0.004 0.000 1.076 1398 M CA 0.364 55.669 55.300 0.008 0.000 1.152 1398 M CB -0.020 32.583 32.600 0.005 0.000 1.414 1398 M HN 0.121 nan 8.290 nan 0.000 0.439 1399 R N 1.416 121.917 120.500 0.001 0.000 4.326 1399 R HA -0.188 4.152 4.340 -0.000 0.000 0.141 1399 R C -1.030 175.275 176.300 0.009 0.000 0.356 1399 R CA -0.038 56.062 56.100 0.001 0.000 0.851 1399 R CB -0.524 29.774 30.300 -0.003 0.000 1.039 1399 R HN 0.696 nan 8.270 nan 0.000 0.246 1400 C N 5.204 124.506 119.300 0.004 0.000 2.625 1400 C HA -0.012 4.448 4.460 -0.000 0.000 0.398 1400 C C 1.355 176.370 174.990 0.041 0.000 1.405 1400 C CA 0.221 59.244 59.018 0.009 0.000 1.398 1400 C CB -1.935 25.800 27.740 -0.007 0.000 2.318 1400 C HN 0.732 nan 8.230 nan 0.000 0.623 1401 S N 3.541 119.299 115.700 0.096 0.000 2.580 1401 S HA 0.684 5.154 4.470 -0.000 0.000 0.274 1401 S C -0.397 174.427 174.600 0.373 0.000 1.329 1401 S CA -0.310 58.005 58.200 0.191 0.000 1.036 1401 S CB 0.200 63.586 63.200 0.311 0.000 0.919 1401 S HN 0.693 nan 8.310 nan 0.000 0.515 1402 F N -0.562 119.373 119.950 -0.026 0.000 2.177 1402 F HA -0.147 4.380 4.527 -0.000 0.000 0.339 1402 F C 1.097 176.870 175.800 -0.044 0.000 1.260 1402 F CA 0.476 58.459 58.000 -0.028 0.000 0.998 1402 F CB -0.677 38.306 39.000 -0.029 0.000 4.007 1402 F HN 0.832 nan 8.300 nan 0.000 0.261 1403 E N 0.371 120.647 120.200 0.127 0.000 2.516 1403 E HA -0.108 4.242 4.350 -0.000 0.000 0.199 1403 E C -0.075 176.543 176.600 0.030 0.000 1.069 1403 E CA 1.011 57.440 56.400 0.048 0.000 0.876 1403 E CB -0.101 29.615 29.700 0.026 0.000 0.843 1403 E HN 0.479 nan 8.360 nan 0.000 0.530 1404 E N 0.351 120.590 120.200 0.064 0.000 3.303 1404 E HA 0.127 4.476 4.350 -0.000 0.000 0.215 1404 E C -0.063 176.483 176.600 -0.089 0.000 1.181 1404 E CA -0.091 56.283 56.400 -0.043 0.000 0.998 1404 E CB 1.097 30.762 29.700 -0.058 0.000 1.312 1404 E HN -0.060 nan 8.360 nan 0.000 0.412 1405 T N -0.214 114.287 114.554 -0.089 0.000 2.985 1405 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 1405 T C 2.023 176.579 174.700 -0.240 0.000 1.076 1405 T CA 0.365 62.396 62.100 -0.114 0.000 1.135 1405 T CB 0.195 69.019 68.868 -0.073 0.000 0.890 1405 T HN 0.132 nan 8.240 nan 0.000 0.480 1406 V N 1.995 121.717 119.914 -0.319 0.000 2.370 1406 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 1406 V C 2.435 178.039 176.094 -0.817 0.000 1.068 1406 V CA 1.761 63.705 62.300 -0.593 0.000 1.061 1406 V CB -0.531 30.902 31.823 -0.649 0.000 0.656 1406 V HN 0.600 nan 8.190 nan 0.000 0.455 1407 E N -0.435 119.447 120.200 -0.530 0.000 2.208 1407 E HA -0.103 4.246 4.350 -0.000 0.000 0.193 1407 E C 2.105 178.544 176.600 -0.269 0.000 0.988 1407 E CA 1.092 57.268 56.400 -0.374 0.000 0.828 1407 E CB -0.108 29.427 29.700 -0.274 0.000 0.763 1407 E HN 0.621 nan 8.360 nan 0.000 0.478 1408 I N 0.705 121.110 120.570 -0.276 0.000 2.353 1408 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 1408 I C 2.210 178.179 176.117 -0.246 0.000 1.119 1408 I CA 0.838 61.998 61.300 -0.233 0.000 1.417 1408 I CB -0.150 37.729 38.000 -0.202 0.000 1.078 1408 I HN 0.078 nan 8.210 nan 0.000 0.421 1409 L N -0.183 120.878 121.223 -0.270 0.000 2.095 1409 L HA -0.102 4.238 4.340 -0.000 0.000 0.204 1409 L C 2.548 179.407 176.870 -0.018 0.000 1.080 1409 L CA 1.297 55.985 54.840 -0.254 0.000 0.759 1409 L CB -0.502 41.434 42.059 -0.205 0.000 0.914 1409 L HN 0.160 nan 8.230 nan 0.000 0.439 1410 F N 0.453 120.300 119.950 -0.173 0.000 2.095 1410 F HA -0.259 4.267 4.527 -0.000 0.000 0.298 1410 F C 2.738 178.507 175.800 -0.053 0.000 1.104 1410 F CA 0.772 58.665 58.000 -0.179 0.000 1.232 1410 F CB -0.041 38.660 39.000 -0.498 0.000 0.987 1410 F HN 0.164 nan 8.300 nan 0.000 0.475 1411 E N 0.437 120.672 120.200 0.058 0.000 2.072 1411 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 1411 E C 2.374 178.948 176.600 -0.044 0.000 0.985 1411 E CA 0.993 57.383 56.400 -0.017 0.000 0.801 1411 E CB -0.432 29.207 29.700 -0.101 0.000 0.750 1411 E HN 0.347 nan 8.360 nan 0.000 0.452 1412 A N 1.547 124.299 122.820 -0.113 0.000 1.917 1412 A HA -0.162 4.157 4.320 -0.000 0.000 0.219 1412 A C 2.451 180.035 177.584 -0.001 0.000 1.182 1412 A CA 2.131 54.067 52.037 -0.168 0.000 0.633 1412 A CB -1.184 17.498 19.000 -0.530 0.000 0.819 1412 A HN 0.348 nan 8.150 nan 0.000 0.448 1413 G N -0.722 108.132 108.800 0.089 0.000 2.434 1413 G HA2 0.033 3.993 3.960 -0.000 0.000 0.214 1413 G HA3 0.033 3.993 3.960 -0.000 0.000 0.214 1413 G C 1.737 176.721 174.900 0.140 0.000 1.202 1413 G CA 1.381 46.602 45.100 0.203 0.000 0.788 1413 G HN 0.917 nan 8.290 nan 0.000 0.539 1414 A N 0.077 122.977 122.820 0.134 0.000 2.125 1414 A HA 0.166 4.485 4.320 -0.000 0.000 0.219 1414 A C 2.352 179.810 177.584 -0.212 0.000 1.156 1414 A CA 1.969 53.991 52.037 -0.026 0.000 0.671 1414 A CB -0.166 18.854 19.000 0.033 0.000 0.794 1414 A HN 0.285 nan 8.150 nan 0.000 0.459 1415 S N -1.575 114.038 115.700 -0.144 0.000 2.540 1415 S HA 0.454 4.924 4.470 -0.000 0.000 0.218 1415 S C 0.854 175.428 174.600 -0.042 0.000 0.977 1415 S CA 0.494 58.580 58.200 -0.189 0.000 0.918 1415 S CB 0.086 63.181 63.200 -0.176 0.000 0.806 1415 S HN 1.612 nan 8.310 nan 0.000 0.496 1416 A N 2.085 124.932 122.820 0.046 0.000 2.667 1416 A HA -0.215 4.105 4.320 -0.000 0.000 0.298 1416 A C 0.176 177.801 177.584 0.068 0.000 1.483 1416 A CA 0.690 52.791 52.037 0.108 0.000 0.738 1416 A CB -1.903 17.225 19.000 0.214 0.000 1.067 1416 A HN 0.592 nan 8.150 nan 0.000 0.451 1417 E N -0.862 119.390 120.200 0.087 0.000 2.360 1417 E HA 0.398 4.748 4.350 -0.000 0.000 0.269 1417 E C -0.339 176.351 176.600 0.149 0.000 1.022 1417 E CA -0.573 55.883 56.400 0.094 0.000 0.887 1417 E CB 0.426 30.155 29.700 0.048 0.000 0.990 1417 E HN 0.797 nan 8.360 nan 0.000 0.426 1418 L N 5.073 126.346 121.223 0.083 0.000 2.318 1418 L HA 0.310 4.650 4.340 -0.000 0.000 0.277 1418 L C -1.242 175.666 176.870 0.063 0.000 1.008 1418 L CA -0.393 54.467 54.840 0.034 0.000 0.846 1418 L CB 1.302 43.353 42.059 -0.012 0.000 1.220 1418 L HN 0.418 nan 8.230 nan 0.000 0.423 1419 D N 2.924 123.382 120.400 0.097 0.000 2.339 1419 D HA 0.114 4.753 4.640 -0.000 0.000 0.256 1419 D C 0.668 176.983 176.300 0.024 0.000 1.214 1419 D CA 0.280 54.340 54.000 0.099 0.000 0.877 1419 D CB 1.002 41.913 40.800 0.185 0.000 1.111 1419 D HN 0.522 nan 8.370 nan 0.000 0.478 1420 D N 1.786 122.201 120.400 0.025 0.000 2.219 1420 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 1420 D C 0.513 176.818 176.300 0.007 0.000 0.970 1420 D CA 0.488 54.495 54.000 0.012 0.000 0.851 1420 D CB -0.035 40.775 40.800 0.018 0.000 0.943 1420 D HN 0.447 nan 8.370 nan 0.000 0.488 1421 C N 0.730 120.037 119.300 0.013 0.000 4.058 1421 C HA -0.146 4.314 4.460 -0.000 0.000 0.307 1421 C C 1.258 176.249 174.990 0.002 0.000 1.247 1421 C CA -0.128 58.893 59.018 0.005 0.000 2.165 1421 C CB -2.247 25.488 27.740 -0.010 0.000 1.350 1421 C HN 0.405 nan 8.230 nan 0.000 0.648 1422 R N -0.303 120.200 120.500 0.006 0.000 2.509 1422 R HA 0.253 4.593 4.340 -0.000 0.000 0.297 1422 R C 1.161 177.457 176.300 -0.006 0.000 0.951 1422 R CA 0.536 56.638 56.100 0.002 0.000 1.103 1422 R CB 0.749 31.059 30.300 0.018 0.000 1.283 1422 R HN 0.624 nan 8.270 nan 0.000 0.534 1423 G N -0.164 108.634 108.800 -0.004 0.000 2.528 1423 G HA2 0.253 4.213 3.960 -0.000 0.000 0.289 1423 G HA3 0.253 4.213 3.960 -0.000 0.000 0.289 1423 G C 0.905 175.796 174.900 -0.015 0.000 1.192 1423 G CA -0.573 44.522 45.100 -0.009 0.000 0.921 1423 G HN -0.100 nan 8.290 nan 0.000 0.512 1424 V N 0.509 120.411 119.914 -0.020 0.000 2.488 1424 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 1424 V C 2.961 179.045 176.094 -0.017 0.000 1.046 1424 V CA 2.235 64.521 62.300 -0.024 0.000 1.053 1424 V CB -0.240 31.566 31.823 -0.028 0.000 0.679 1424 V HN 0.668 nan 8.190 nan 0.000 0.458 1425 S N 0.593 116.285 115.700 -0.012 0.000 2.345 1425 S HA -0.202 4.267 4.470 -0.000 0.000 0.220 1425 S C 1.861 176.461 174.600 -0.001 0.000 1.031 1425 S CA 1.706 59.901 58.200 -0.007 0.000 0.996 1425 S CB -0.357 62.840 63.200 -0.005 0.000 0.882 1425 S HN 0.826 nan 8.310 nan 0.000 0.445 1426 E N 1.751 121.954 120.200 0.005 0.000 2.209 1426 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 1426 E C 1.246 177.847 176.600 0.003 0.000 0.993 1426 E CA 0.886 57.294 56.400 0.014 0.000 0.819 1426 E CB -0.383 29.332 29.700 0.024 0.000 0.745 1426 E HN 0.423 nan 8.360 nan 0.000 0.477 1427 N N 0.646 119.342 118.700 -0.006 0.000 2.424 1427 N HA -0.011 4.729 4.740 -0.000 0.000 0.178 1427 N C 1.815 177.316 175.510 -0.014 0.000 1.060 1427 N CA 0.377 53.419 53.050 -0.014 0.000 0.901 1427 N CB 0.536 39.010 38.487 -0.022 0.000 0.979 1427 N HN 0.053 nan 8.380 nan 0.000 0.451 1428 V N 1.670 121.577 119.914 -0.011 0.000 2.346 1428 V HA -0.077 4.042 4.120 -0.000 0.000 0.244 1428 V C 2.243 178.333 176.094 -0.006 0.000 1.037 1428 V CA 0.912 63.206 62.300 -0.010 0.000 1.029 1428 V CB -0.190 31.627 31.823 -0.010 0.000 0.663 1428 V HN 0.168 nan 8.190 nan 0.000 0.454 1429 I N -0.212 120.356 120.570 -0.002 0.000 2.335 1429 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 1429 I C 1.907 178.022 176.117 -0.002 0.000 1.129 1429 I CA 1.648 62.949 61.300 0.001 0.000 1.402 1429 I CB -0.180 37.826 38.000 0.010 0.000 1.069 1429 I HN 0.269 nan 8.210 nan 0.000 0.424 1430 L N 0.180 121.399 121.223 -0.006 0.000 2.592 1430 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 1430 L C 1.613 178.475 176.870 -0.013 0.000 1.127 1430 L CA 0.388 55.221 54.840 -0.012 0.000 0.884 1430 L CB -0.212 41.837 42.059 -0.017 0.000 1.065 1430 L HN 0.445 nan 8.230 nan 0.000 0.457 1431 G N 0.101 108.894 108.800 -0.011 0.000 2.166 1431 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 1431 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 1431 G C 0.223 175.114 174.900 -0.015 0.000 0.986 1431 G CA 0.324 45.417 45.100 -0.011 0.000 0.683 1431 G HN 0.496 nan 8.290 nan 0.000 0.527 1432 Q N -0.456 119.332 119.800 -0.019 0.000 2.204 1432 Q HA 0.706 5.046 4.340 -0.000 0.000 0.254 1432 Q C 0.746 176.727 176.000 -0.032 0.000 0.981 1432 Q CA -0.823 54.964 55.803 -0.026 0.000 0.897 1432 Q CB 1.128 29.849 28.738 -0.028 0.000 1.273 1432 Q HN 0.619 nan 8.270 nan 0.000 0.464 1433 M N -0.358 119.216 119.600 -0.044 0.000 2.233 1433 M HA 0.642 5.122 4.480 -0.000 0.000 0.355 1433 M C -0.339 175.922 176.300 -0.066 0.000 1.191 1433 M CA -0.778 54.489 55.300 -0.055 0.000 1.101 1433 M CB 1.075 33.635 32.600 -0.067 0.000 1.592 1433 M HN 0.590 nan 8.290 nan 0.000 0.461 1434 A N 4.600 127.383 122.820 -0.061 0.000 2.531 1434 A HA 0.292 4.612 4.320 -0.000 0.000 0.236 1434 A C -1.783 175.751 177.584 -0.083 0.000 1.062 1434 A CA -1.106 50.895 52.037 -0.060 0.000 0.760 1434 A CB -0.793 18.177 19.000 -0.051 0.000 0.995 1434 A HN 0.771 nan 8.150 nan 0.000 0.501 1435 P HA 0.073 nan 4.420 nan 0.000 0.286 1435 P C -0.323 176.920 177.300 -0.095 0.000 1.577 1435 P CA 0.532 63.583 63.100 -0.082 0.000 0.805 1435 P CB -1.015 30.660 31.700 -0.040 0.000 1.706 1436 I N -5.388 115.120 120.570 -0.105 0.000 2.648 1436 I HA 0.687 4.856 4.170 -0.000 0.000 0.304 1436 I C 1.108 177.159 176.117 -0.111 0.000 1.009 1436 I CA -0.742 60.496 61.300 -0.104 0.000 1.114 1436 I CB 1.612 39.563 38.000 -0.082 0.000 1.293 1436 I HN 0.104 nan 8.210 nan 0.000 0.449 1437 G N 3.197 111.938 108.800 -0.098 0.000 2.693 1437 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.354 1437 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.354 1437 G C 0.949 175.833 174.900 -0.027 0.000 1.207 1437 G CA 1.520 46.584 45.100 -0.060 0.000 0.958 1437 G HN 0.925 nan 8.290 nan 0.000 0.560 1438 T N 1.408 115.939 114.554 -0.039 0.000 2.996 1438 T HA 0.163 4.513 4.350 -0.000 0.000 0.271 1438 T C 1.777 176.242 174.700 -0.391 0.000 1.126 1438 T CA 2.107 64.175 62.100 -0.053 0.000 1.103 1438 T CB -0.589 68.264 68.868 -0.024 0.000 0.870 1438 T HN 1.324 nan 8.240 nan 0.000 0.528 1439 G N -0.567 108.014 108.800 -0.366 0.000 3.899 1439 G HA2 0.515 4.475 3.960 -0.000 0.000 0.293 1439 G HA3 0.515 4.475 3.960 -0.000 0.000 0.293 1439 G C 0.685 175.340 174.900 -0.409 0.000 1.054 1439 G CA 0.289 45.107 45.100 -0.470 0.000 0.846 1439 G HN 0.405 nan 8.290 nan 0.000 0.525 1440 A N 0.485 123.086 122.820 -0.364 0.000 2.476 1440 A HA 0.681 5.001 4.320 -0.000 0.000 0.263 1440 A C 0.042 177.724 177.584 0.164 0.000 1.342 1440 A CA -0.279 51.719 52.037 -0.065 0.000 0.926 1440 A CB -0.769 18.237 19.000 0.009 0.000 1.019 1440 A HN 0.794 nan 8.150 nan 0.000 0.515 1441 F N -3.967 116.026 119.950 0.073 0.000 2.807 1441 F HA 0.643 5.170 4.527 -0.000 0.000 0.316 1441 F C -1.619 174.196 175.800 0.025 0.000 1.162 1441 F CA -1.773 56.264 58.000 0.061 0.000 0.910 1441 F CB 0.455 39.504 39.000 0.080 0.000 1.314 1441 F HN -0.161 nan 8.300 nan 0.000 0.454 1442 D N 0.853 121.413 120.400 0.266 0.000 2.299 1442 D HA 0.654 5.294 4.640 -0.000 0.000 0.243 1442 D C -1.071 175.380 176.300 0.253 0.000 0.982 1442 D CA -0.369 53.724 54.000 0.154 0.000 0.924 1442 D CB 2.911 43.755 40.800 0.073 0.000 1.238 1442 D HN 0.453 nan 8.370 nan 0.000 0.484 1443 V N 1.951 121.968 119.914 0.171 0.000 2.581 1443 V HA 0.572 4.692 4.120 -0.000 0.000 0.303 1443 V C 0.010 176.151 176.094 0.077 0.000 1.041 1443 V CA -0.381 62.008 62.300 0.147 0.000 0.907 1443 V CB 1.647 33.562 31.823 0.154 0.000 0.994 1443 V HN 0.452 nan 8.190 nan 0.000 0.442 1444 M N 3.959 123.592 119.600 0.055 0.000 2.618 1444 M HA 0.583 5.062 4.480 -0.000 0.000 0.281 1444 M C -1.099 175.217 176.300 0.027 0.000 1.267 1444 M CA -0.605 54.717 55.300 0.036 0.000 0.845 1444 M CB 2.550 35.166 32.600 0.028 0.000 1.732 1444 M HN 0.301 nan 8.290 nan 0.000 0.461 1445 I N 1.249 121.832 120.570 0.023 0.000 2.529 1445 I HA 0.092 4.262 4.170 -0.000 0.000 0.284 1445 I C -0.320 175.804 176.117 0.012 0.000 1.082 1445 I CA 0.061 61.372 61.300 0.018 0.000 1.406 1445 I CB 0.548 38.559 38.000 0.018 0.000 1.405 1445 I HN 0.570 nan 8.210 nan 0.000 0.548 1446 D N 5.153 125.558 120.400 0.008 0.000 2.280 1446 D HA 0.139 4.779 4.640 -0.000 0.000 0.236 1446 D C -0.362 175.940 176.300 0.004 0.000 1.082 1446 D CA -0.392 53.610 54.000 0.004 0.000 0.834 1446 D CB 1.111 41.910 40.800 -0.001 0.000 1.100 1446 D HN 0.323 nan 8.370 nan 0.000 0.486 1447 E N 3.073 123.275 120.200 0.003 0.000 2.282 1447 E HA 0.235 4.585 4.350 -0.000 0.000 0.247 1447 E C -0.262 176.339 176.600 0.001 0.000 1.113 1447 E CA 0.129 56.531 56.400 0.004 0.000 1.095 1447 E CB 0.186 29.889 29.700 0.005 0.000 1.328 1447 E HN 0.598 nan 8.360 nan 0.000 0.463 1448 E N 0.339 120.539 120.200 0.000 0.000 3.293 1448 E HA 0.058 4.408 4.350 -0.000 0.000 0.218 1448 E C -0.295 176.304 176.600 -0.001 0.000 1.112 1448 E CA 0.270 56.669 56.400 -0.002 0.000 1.642 1448 E CB 0.136 29.833 29.700 -0.004 0.000 1.630 1448 E HN 0.350 nan 8.360 nan 0.000 0.820 1449 S N 2.545 118.244 115.700 -0.001 0.000 2.784 1449 S HA -0.012 4.458 4.470 -0.000 0.000 0.322 1449 S C 0.383 174.983 174.600 0.001 0.000 1.234 1449 S CA 0.172 58.371 58.200 -0.001 0.000 1.064 1449 S CB 0.028 63.228 63.200 0.000 0.000 0.787 1449 S HN 0.138 nan 8.310 nan 0.000 0.506 1450 L N 0.000 121.223 121.223 0.000 0.000 2.949 1450 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1450 L CA 0.000 54.841 54.840 0.001 0.000 0.813 1450 L CB 0.000 42.059 42.059 0.001 0.000 0.961 1450 L HN 0.000 nan 8.230 nan 0.000 0.502