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 2vdc_1_D DATA FIRST_RESID 1 DATA SEQUENCE CGVGFIAAID GKPRRSVVEK GIEALKAVWH RGAVDADGKT GDGAGIHVAV DATA SEQUENCE PQKFFKDHVK VIGHRAPDNK LAVGQVFLPR ISLDAQEACR CIVETEILAF DATA SEQUENCE GYYIYGWRQV PINVDIIGEK ANATRPEIEQ IIVGNNKGVS DEQFELDLYI DATA SEQUENCE IRRRIEKAVK GEQINDFYIC SLSARSIIYK GMFLAEQLTT FYPDLLDERF DATA SEQUENCE ESDFAIYHQR YSTNTFPTWP LAQPFRMLAH NGEINTVKGN VNWMKAHETR DATA SEQUENCE MEHPAFGTHM QDLKPVIGVG LSDSGSLDTV FEVMVRAGRT APMVKMMLVP DATA SEQUENCE QALTSSQTTP DNHKALIQYC NSVMEPWDGP AALAMTDGRW VVGGMDRNGL DATA SEQUENCE RPMRYTITTD GLIIGGSETG MVKIDETQVI EKGRLGPGEM IAVDLQSGKL DATA SEQUENCE YRDRELKDHL ATLKPWDKWV QNTTHLDELV KTASLKGEPS DMDKAELRRR DATA SEQUENCE QQAFGLTMED MELILHPMVE DGKEAIGSMG DDSPIAVLSD KYRGLHHFFR DATA SEQUENCE QNFSQVTNPP IDSLRERRVM SLKTRLGNLG NILDEDETQT RLLQLESPVL DATA SEQUENCE TTAEFRAMRD YMGDTAAEID ATFPVDGGPE ALRDALRRIR QETEDAVRGG DATA SEQUENCE ATHVILTDEA MGPARAAIPA ILATGAVHTH LIRSNLRTFT SLNVRTAEGL DATA SEQUENCE DTHYFAVLIG VGATTVNAYL AQEAIAERHR RGLFGSMPLE KGMANYKKAI DATA SEQUENCE DDGLLKIMSK MGISVISSYR GGGNFEAIGL SRALVAEHFP AMVSRISGIG DATA SEQUENCE LNGIQKKVLE QHATAYNEEV VALPVGGFYR FRKSGDRHGW EGGVIHTLQQ DATA SEQUENCE AVTNDSYTTF KKYSEQVNKR PPMQLRDLLE LRSTKAPVPV DEVESITAIR DATA SEQUENCE KRFITPGMSM GALSPEAHGT LNVAMNRIGA KSDSGEGGED PARFRPDKNG DATA SEQUENCE DNWNSAIKQV ASGRFGVTAE YLNQCRELEI KVAQGAKPGE GGQLPGFKVT DATA SEQUENCE EMIARLRHST PGVMLISPPP HHDIYSIEDL AQLIYDLKQI NPDAKVTVKL DATA SEQUENCE VSRSGIGTIA AGVAKANADI ILISGNSGGT GASPQTSIKF AGLPWEMGLS DATA SEQUENCE EVHQVLTLNR LRHRVRLRTD GGLKTGRDIV IAAMLGAEEF GIGTASLIAM DATA SEQUENCE GCIMVRQCHS NTCPVGVCVQ DDKLRQKFVG TPEKVVNLFT FLAEEVREIL DATA SEQUENCE AGLGFRSLNE VIGRTDLLHQ VSRGAEHLDD LDLNPRLAQV DPGENARYCT DATA SEQUENCE LQGRNEVPDT LDARIVADAR PLFEEGEKMQ LAYNARNTQR AIGTRLSSMV DATA SEQUENCE TRKFGMFGLQ PGHITIRLRG TAGQSLGAFA VQGIKLEVMG DANDYVGKGL DATA SEQUENCE SGGTIVVRPT TSSPLETNKN TIIGNTVLYG ATAGKLFAAG QAGERFAVRN DATA SEQUENCE SGATVVVEGC GSNGCEYMTG GTAVILGRVG DNFAAGMTGG MAYVYDLDDS DATA SEQUENCE LPLYINDESV IFQRIEVGHY ESQLKHLIEE HVTETQSRFA AEILNDWARE DATA SEQUENCE VTKFWQVVPK EMLNRLEVPV HL 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.942 174.990 -0.081 0.000 1.270 1 C CA 0.000 58.989 59.018 -0.049 0.000 1.963 1 C CB 0.000 27.754 27.740 0.024 0.000 2.134 2 G N 0.548 109.232 108.800 -0.193 0.000 2.355 2 G HA2 0.727 4.685 3.960 -0.005 0.000 0.296 2 G HA3 0.727 4.685 3.960 -0.005 0.000 0.296 2 G C -1.799 172.981 174.900 -0.201 0.000 1.507 2 G CA 0.063 45.091 45.100 -0.119 0.000 0.823 2 G HN 1.488 nan 8.290 nan 0.000 0.569 3 V N -1.173 118.674 119.914 -0.112 0.000 3.159 3 V HA 1.066 5.183 4.120 -0.005 0.000 0.308 3 V C 0.547 176.489 176.094 -0.253 0.000 1.190 3 V CA -0.148 62.070 62.300 -0.136 0.000 1.037 3 V CB 1.475 33.294 31.823 -0.006 0.000 1.060 3 V HN 2.167 nan 8.190 nan 0.000 0.437 4 G N 0.493 108.918 108.800 -0.626 0.000 2.559 4 G HA2 0.862 4.819 3.960 -0.005 0.000 0.291 4 G HA3 0.862 4.819 3.960 -0.005 0.000 0.291 4 G C -1.781 172.743 174.900 -0.626 0.000 1.424 4 G CA -0.249 44.378 45.100 -0.789 0.000 0.786 4 G HN 1.690 nan 8.290 nan 0.000 0.485 5 F N -1.611 118.184 119.950 -0.259 0.000 2.741 5 F HA 0.851 5.375 4.527 -0.005 0.000 0.311 5 F C -1.568 174.306 175.800 0.124 0.000 1.149 5 F CA -1.576 56.401 58.000 -0.038 0.000 0.930 5 F CB 1.197 40.169 39.000 -0.046 0.000 1.312 5 F HN 0.551 nan 8.300 nan 0.000 0.450 6 I N 1.564 122.335 120.570 0.335 0.000 2.827 6 I HA 0.814 4.982 4.170 -0.005 0.000 0.298 6 I C -1.110 175.181 176.117 0.289 0.000 1.235 6 I CA -1.218 60.212 61.300 0.216 0.000 1.021 6 I CB 2.126 40.224 38.000 0.162 0.000 1.259 6 I HN 1.102 nan 8.210 nan 0.000 0.427 7 A N 3.283 126.235 122.820 0.219 0.000 2.547 7 A HA 0.867 5.185 4.320 -0.005 0.000 0.297 7 A C -1.093 176.563 177.584 0.121 0.000 1.056 7 A CA -0.591 51.564 52.037 0.197 0.000 0.688 7 A CB 1.762 20.879 19.000 0.194 0.000 1.282 7 A HN 0.854 nan 8.150 nan 0.000 0.400 8 A N 1.756 124.638 122.820 0.102 0.000 2.309 8 A HA 0.569 4.887 4.320 -0.005 0.000 0.290 8 A C 0.903 178.514 177.584 0.045 0.000 1.206 8 A CA -0.467 51.609 52.037 0.064 0.000 0.850 8 A CB -0.382 18.652 19.000 0.057 0.000 1.118 8 A HN 0.817 nan 8.150 nan 0.000 0.523 9 I N 1.418 122.008 120.570 0.034 0.000 2.286 9 I HA -0.222 3.945 4.170 -0.005 0.000 0.248 9 I C 1.767 177.885 176.117 0.002 0.000 1.115 9 I CA 1.885 63.196 61.300 0.018 0.000 1.392 9 I CB -0.307 37.703 38.000 0.016 0.000 1.065 9 I HN 0.857 nan 8.210 nan 0.000 0.418 10 D N 0.491 120.895 120.400 0.007 0.000 2.371 10 D HA -0.010 4.628 4.640 -0.005 0.000 0.221 10 D C 1.616 177.912 176.300 -0.006 0.000 0.986 10 D CA 0.955 54.954 54.000 -0.002 0.000 0.899 10 D CB -0.143 40.660 40.800 0.004 0.000 0.902 10 D HN 0.415 nan 8.370 nan 0.000 0.530 11 G N -0.271 108.530 108.800 0.002 0.000 2.217 11 G HA2 -0.310 3.648 3.960 -0.005 0.000 0.246 11 G HA3 -0.310 3.648 3.960 -0.005 0.000 0.246 11 G C 0.149 175.063 174.900 0.024 0.000 0.990 11 G CA 0.160 45.261 45.100 0.002 0.000 0.627 11 G HN 0.480 nan 8.290 nan 0.000 0.522 12 K N 1.616 122.030 120.400 0.024 0.000 2.234 12 K HA 0.464 4.781 4.320 -0.005 0.000 0.282 12 K C -2.442 174.179 176.600 0.035 0.000 1.039 12 K CA -1.810 54.493 56.287 0.027 0.000 0.928 12 K CB 1.236 33.747 32.500 0.019 0.000 1.039 12 K HN 0.058 nan 8.250 nan 0.000 0.470 13 P HA 0.038 nan 4.420 nan 0.000 0.268 13 P C -0.846 176.469 177.300 0.025 0.000 1.208 13 P CA 0.146 63.266 63.100 0.034 0.000 0.777 13 P CB 0.635 32.352 31.700 0.029 0.000 0.875 14 R N 1.024 121.536 120.500 0.021 0.000 2.680 14 R HA 0.318 4.655 4.340 -0.005 0.000 0.269 14 R C 0.644 176.953 176.300 0.015 0.000 1.026 14 R CA -0.866 55.245 56.100 0.018 0.000 0.889 14 R CB 1.423 31.734 30.300 0.020 0.000 1.241 14 R HN 0.206 nan 8.270 nan 0.000 0.463 15 R N 0.977 121.487 120.500 0.016 0.000 2.119 15 R HA -0.049 4.288 4.340 -0.005 0.000 0.222 15 R C 1.523 177.827 176.300 0.007 0.000 1.088 15 R CA 2.288 58.399 56.100 0.017 0.000 0.984 15 R CB -0.167 30.146 30.300 0.021 0.000 0.884 15 R HN 0.704 nan 8.270 nan 0.000 0.447 16 S N -0.404 115.299 115.700 0.005 0.000 2.383 16 S HA -0.143 4.325 4.470 -0.005 0.000 0.229 16 S C 2.006 176.605 174.600 -0.003 0.000 1.030 16 S CA 1.397 59.597 58.200 -0.001 0.000 1.002 16 S CB -0.854 62.347 63.200 0.003 0.000 0.829 16 S HN 0.115 nan 8.310 nan 0.000 0.467 17 V N 1.553 121.470 119.914 0.006 0.000 2.380 17 V HA -0.150 3.967 4.120 -0.005 0.000 0.251 17 V C 2.554 178.643 176.094 -0.008 0.000 1.063 17 V CA 1.776 64.082 62.300 0.010 0.000 1.055 17 V CB -0.760 31.072 31.823 0.014 0.000 0.657 17 V HN 0.498 nan 8.190 nan 0.000 0.455 18 V N -0.704 119.200 119.914 -0.018 0.000 2.535 18 V HA -0.116 4.001 4.120 -0.005 0.000 0.246 18 V C 2.329 178.391 176.094 -0.052 0.000 1.045 18 V CA 1.340 63.621 62.300 -0.032 0.000 1.058 18 V CB -0.448 31.364 31.823 -0.019 0.000 0.689 18 V HN 0.577 nan 8.190 nan 0.000 0.461 19 E N 0.615 120.788 120.200 -0.044 0.000 2.038 19 E HA -0.266 4.081 4.350 -0.005 0.000 0.195 19 E C 2.250 178.808 176.600 -0.069 0.000 1.000 19 E CA 1.448 57.815 56.400 -0.056 0.000 0.803 19 E CB -0.218 29.459 29.700 -0.039 0.000 0.750 19 E HN 0.566 nan 8.360 nan 0.000 0.448 20 K N 0.272 120.639 120.400 -0.056 0.000 2.044 20 K HA -0.168 4.149 4.320 -0.005 0.000 0.210 20 K C 2.344 178.857 176.600 -0.145 0.000 1.049 20 K CA 1.322 57.564 56.287 -0.074 0.000 0.927 20 K CB -0.523 31.954 32.500 -0.039 0.000 0.713 20 K HN 0.190 nan 8.250 nan 0.000 0.443 21 G N 1.795 110.514 108.800 -0.135 0.000 2.469 21 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.219 21 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.219 21 G C 1.533 176.230 174.900 -0.339 0.000 1.150 21 G CA 1.003 45.934 45.100 -0.281 0.000 0.763 21 G HN 0.176 nan 8.290 nan 0.000 0.561 22 I N 0.378 120.841 120.570 -0.179 0.000 2.163 22 I HA -0.194 3.973 4.170 -0.005 0.000 0.243 22 I C 2.652 178.670 176.117 -0.166 0.000 1.085 22 I CA 1.581 62.793 61.300 -0.147 0.000 1.347 22 I CB -0.348 37.589 38.000 -0.106 0.000 1.044 22 I HN 0.325 nan 8.210 nan 0.000 0.408 23 E N 1.211 121.318 120.200 -0.154 0.000 2.086 23 E HA -0.308 4.039 4.350 -0.005 0.000 0.200 23 E C 2.216 178.724 176.600 -0.153 0.000 1.012 23 E CA 1.705 58.031 56.400 -0.124 0.000 0.812 23 E CB -0.049 29.593 29.700 -0.096 0.000 0.743 23 E HN 0.502 nan 8.360 nan 0.000 0.453 24 A N 1.419 124.079 122.820 -0.267 0.000 1.842 24 A HA -0.212 4.106 4.320 -0.005 0.000 0.217 24 A C 2.222 179.663 177.584 -0.239 0.000 1.206 24 A CA 1.666 53.513 52.037 -0.317 0.000 0.630 24 A CB -1.130 17.427 19.000 -0.737 0.000 0.839 24 A HN 0.386 nan 8.150 nan 0.000 0.447 25 L N -0.925 120.107 121.223 -0.319 0.000 2.468 25 L HA -0.236 4.101 4.340 -0.005 0.000 0.225 25 L C 2.127 178.986 176.870 -0.018 0.000 1.139 25 L CA 1.481 56.263 54.840 -0.098 0.000 0.792 25 L CB -0.432 41.592 42.059 -0.058 0.000 0.916 25 L HN 0.452 nan 8.230 nan 0.000 0.446 26 K N -0.494 119.886 120.400 -0.033 0.000 2.393 26 K HA 0.159 4.476 4.320 -0.005 0.000 0.193 26 K C 0.911 177.596 176.600 0.141 0.000 1.026 26 K CA 0.308 56.622 56.287 0.046 0.000 1.064 26 K CB 0.428 32.932 32.500 0.007 0.000 0.833 26 K HN 0.181 nan 8.250 nan 0.000 0.521 27 A N 1.140 123.968 122.820 0.013 0.000 3.041 27 A HA 0.214 4.531 4.320 -0.005 0.000 0.307 27 A C 0.533 177.895 177.584 -0.370 0.000 1.116 27 A CA -0.420 51.535 52.037 -0.136 0.000 1.001 27 A CB -0.079 18.846 19.000 -0.126 0.000 1.112 27 A HN 0.094 nan 8.150 nan 0.000 0.556 28 V N -4.632 115.094 119.914 -0.314 0.000 3.392 28 V HA 0.116 4.234 4.120 -0.005 0.000 0.285 28 V C 1.437 177.369 176.094 -0.269 0.000 1.582 28 V CA 0.370 62.485 62.300 -0.309 0.000 1.034 28 V CB -1.329 30.461 31.823 -0.056 0.000 0.846 28 V HN 0.812 nan 8.190 nan 0.000 0.431 29 W N 2.817 124.019 121.300 -0.163 0.000 2.387 29 W HA -0.160 4.497 4.660 -0.004 0.000 0.272 29 W C 2.042 178.562 176.519 0.002 0.000 1.224 29 W CA 1.469 58.764 57.345 -0.083 0.000 1.210 29 W CB -1.892 27.512 29.460 -0.093 0.000 1.125 29 W HN 0.763 nan 8.180 nan 0.000 0.572 30 H N 0.805 119.327 119.070 -0.912 0.000 2.456 30 H HA 0.097 4.650 4.556 -0.005 0.000 0.296 30 H C 1.218 176.352 175.328 -0.323 0.000 1.079 30 H CA 0.979 56.586 56.048 -0.734 0.000 1.322 30 H CB -0.639 28.557 29.762 -0.944 0.000 1.388 30 H HN 0.104 nan 8.280 nan 0.000 0.538 31 R N 1.504 122.084 120.500 0.132 0.000 2.555 31 R HA 0.257 4.594 4.340 -0.005 0.000 0.272 31 R C -0.013 176.340 176.300 0.088 0.000 1.089 31 R CA 0.149 56.264 56.100 0.025 0.000 1.126 31 R CB 0.964 31.302 30.300 0.062 0.000 1.250 31 R HN 0.366 nan 8.270 nan 0.000 0.551 32 G N -0.609 108.215 108.800 0.040 0.000 2.725 32 G HA2 0.575 4.532 3.960 -0.005 0.000 0.288 32 G HA3 0.575 4.532 3.960 -0.005 0.000 0.288 32 G C -1.480 173.330 174.900 -0.150 0.000 1.399 32 G CA -0.774 44.265 45.100 -0.101 0.000 0.859 32 G HN 0.145 nan 8.290 nan 0.000 0.479 33 A N -0.118 122.467 122.820 -0.391 0.000 2.354 33 A HA 0.559 4.876 4.320 -0.005 0.000 0.281 33 A C 0.619 178.123 177.584 -0.134 0.000 1.174 33 A CA -0.093 51.817 52.037 -0.212 0.000 0.828 33 A CB 0.250 19.089 19.000 -0.268 0.000 1.099 33 A HN 2.031 nan 8.150 nan 0.000 0.516 34 V N 1.369 121.254 119.914 -0.049 0.000 2.607 34 V HA 0.415 4.532 4.120 -0.005 0.000 0.289 34 V C -0.126 175.940 176.094 -0.047 0.000 1.053 34 V CA -0.763 61.517 62.300 -0.032 0.000 0.996 34 V CB 1.309 33.139 31.823 0.013 0.000 0.995 34 V HN 0.801 nan 8.190 nan 0.000 0.476 35 D N 2.965 123.331 120.400 -0.057 0.000 2.193 35 D HA 0.539 5.176 4.640 -0.005 0.000 0.249 35 D C 0.901 177.178 176.300 -0.038 0.000 1.034 35 D CA 0.302 54.271 54.000 -0.053 0.000 0.902 35 D CB 2.346 43.107 40.800 -0.064 0.000 1.182 35 D HN 0.824 nan 8.370 nan 0.000 0.436 36 A N 2.360 125.162 122.820 -0.030 0.000 2.015 36 A HA -0.194 4.123 4.320 -0.005 0.000 0.219 36 A C 1.591 179.157 177.584 -0.029 0.000 1.163 36 A CA 1.549 53.572 52.037 -0.024 0.000 0.646 36 A CB -0.181 18.809 19.000 -0.016 0.000 0.806 36 A HN 0.676 nan 8.150 nan 0.000 0.448 37 D N -1.121 119.259 120.400 -0.033 0.000 2.264 37 D HA 0.098 4.736 4.640 -0.005 0.000 0.208 37 D C 1.353 177.632 176.300 -0.036 0.000 0.966 37 D CA 1.422 55.403 54.000 -0.032 0.000 0.864 37 D CB -0.759 40.022 40.800 -0.032 0.000 0.933 37 D HN 0.862 nan 8.370 nan 0.000 0.499 38 G N 0.252 109.025 108.800 -0.045 0.000 2.162 38 G HA2 -0.365 3.592 3.960 -0.005 0.000 0.260 38 G HA3 -0.365 3.592 3.960 -0.005 0.000 0.260 38 G C 1.087 175.955 174.900 -0.053 0.000 0.976 38 G CA 0.778 45.846 45.100 -0.053 0.000 0.655 38 G HN 0.538 nan 8.290 nan 0.000 0.533 39 K N -1.660 118.711 120.400 -0.048 0.000 2.631 39 K HA 0.178 4.495 4.320 -0.005 0.000 0.200 39 K C 0.855 177.420 176.600 -0.058 0.000 1.481 39 K CA 0.500 56.764 56.287 -0.039 0.000 1.087 39 K CB 0.613 33.102 32.500 -0.019 0.000 1.502 39 K HN 0.117 nan 8.250 nan 0.000 0.560 40 T N 1.474 115.986 114.554 -0.070 0.000 2.751 40 T HA 0.324 4.671 4.350 -0.005 0.000 0.290 40 T C 0.004 174.617 174.700 -0.145 0.000 0.919 40 T CA 0.043 62.082 62.100 -0.102 0.000 1.136 40 T CB 0.474 69.286 68.868 -0.092 0.000 0.875 40 T HN 0.336 nan 8.240 nan 0.000 0.532 41 G N 2.507 111.189 108.800 -0.196 0.000 2.685 41 G HA2 0.375 4.332 3.960 -0.005 0.000 0.298 41 G HA3 0.375 4.332 3.960 -0.005 0.000 0.298 41 G C 0.313 175.036 174.900 -0.295 0.000 1.277 41 G CA -0.535 44.420 45.100 -0.240 0.000 0.986 41 G HN 0.563 nan 8.290 nan 0.000 0.487 42 D N -0.720 119.509 120.400 -0.286 0.000 2.277 42 D HA 0.213 4.851 4.640 -0.005 0.000 0.209 42 D C 1.014 177.126 176.300 -0.314 0.000 0.970 42 D CA 1.317 55.161 54.000 -0.262 0.000 0.874 42 D CB 0.935 41.622 40.800 -0.188 0.000 0.982 42 D HN 0.654 nan 8.370 nan 0.000 0.504 43 G N 0.154 108.741 108.800 -0.354 0.000 2.318 43 G HA2 0.466 4.424 3.960 -0.005 0.000 0.306 43 G HA3 0.466 4.424 3.960 -0.005 0.000 0.306 43 G C -1.745 172.948 174.900 -0.345 0.000 1.696 43 G CA -0.068 44.786 45.100 -0.410 0.000 0.905 43 G HN 0.265 nan 8.290 nan 0.000 0.700 44 A N 0.028 122.548 122.820 -0.500 0.000 2.594 44 A HA 1.139 5.457 4.320 -0.005 0.000 0.291 44 A C 0.047 177.544 177.584 -0.145 0.000 1.105 44 A CA -0.053 51.824 52.037 -0.266 0.000 0.694 44 A CB 1.886 20.705 19.000 -0.303 0.000 1.291 44 A HN 2.518 nan 8.150 nan 0.000 0.410 45 G N -0.802 108.056 108.800 0.098 0.000 2.547 45 G HA2 0.589 4.547 3.960 -0.005 0.000 0.291 45 G HA3 0.589 4.547 3.960 -0.005 0.000 0.291 45 G C -1.840 173.223 174.900 0.272 0.000 1.471 45 G CA -0.055 45.178 45.100 0.221 0.000 0.798 45 G HN 1.419 nan 8.290 nan 0.000 0.504 46 I N -0.247 120.508 120.570 0.308 0.000 2.730 46 I HA 0.696 4.864 4.170 -0.005 0.000 0.298 46 I C -1.513 174.795 176.117 0.319 0.000 1.089 46 I CA -1.142 60.335 61.300 0.294 0.000 1.041 46 I CB 2.477 40.609 38.000 0.219 0.000 1.235 46 I HN 0.678 nan 8.210 nan 0.000 0.423 47 H N 7.127 126.306 119.070 0.183 0.000 2.860 47 H HA 0.624 5.177 4.556 -0.005 0.000 0.312 47 H C -1.642 173.743 175.328 0.094 0.000 0.995 47 H CA -0.492 55.660 56.048 0.173 0.000 1.311 47 H CB 0.993 30.870 29.762 0.193 0.000 1.478 47 H HN 0.476 nan 8.280 nan 0.000 0.508 48 V N 1.769 121.858 119.914 0.291 0.000 3.145 48 V HA 0.919 5.036 4.120 -0.005 0.000 0.311 48 V C 0.164 176.215 176.094 -0.072 0.000 1.238 48 V CA -0.895 61.324 62.300 -0.136 0.000 1.066 48 V CB 0.945 32.736 31.823 -0.054 0.000 1.144 48 V HN 0.868 nan 8.190 nan 0.000 0.465 49 A N 0.586 123.245 122.820 -0.268 0.000 2.440 49 A HA 0.594 4.911 4.320 -0.005 0.000 0.251 49 A C 0.150 177.745 177.584 0.018 0.000 1.089 49 A CA -0.278 51.766 52.037 0.012 0.000 0.779 49 A CB -0.010 19.003 19.000 0.020 0.000 1.022 49 A HN 1.362 nan 8.150 nan 0.000 0.492 50 V N 4.454 124.380 119.914 0.021 0.000 2.557 50 V HA 0.150 4.267 4.120 -0.005 0.000 0.301 50 V C -2.002 174.070 176.094 -0.037 0.000 1.026 50 V CA -0.468 61.812 62.300 -0.032 0.000 1.137 50 V CB 0.252 32.004 31.823 -0.118 0.000 0.917 50 V HN 0.811 nan 8.190 nan 0.000 0.484 51 P HA 0.294 nan 4.420 nan 0.000 0.284 51 P C 0.316 177.649 177.300 0.055 0.000 1.432 51 P CA -0.500 62.516 63.100 -0.141 0.000 0.929 51 P CB 1.063 32.418 31.700 -0.575 0.000 1.158 52 Q N 2.215 122.048 119.800 0.056 0.000 2.224 52 Q HA -0.138 4.200 4.340 -0.005 0.000 0.203 52 Q C 1.270 177.318 176.000 0.081 0.000 0.970 52 Q CA 1.427 57.285 55.803 0.091 0.000 0.865 52 Q CB -0.149 28.621 28.738 0.053 0.000 0.922 52 Q HN 0.554 nan 8.270 nan 0.000 0.445 53 K N 0.393 120.823 120.400 0.049 0.000 1.973 53 K HA -0.151 4.166 4.320 -0.005 0.000 0.212 53 K C 1.932 178.555 176.600 0.038 0.000 1.047 53 K CA 1.343 57.652 56.287 0.036 0.000 0.937 53 K CB -0.448 32.071 32.500 0.032 0.000 0.721 53 K HN 0.029 nan 8.250 nan 0.000 0.440 54 F N 0.920 120.782 119.950 -0.147 0.000 2.063 54 F HA -0.296 4.228 4.527 -0.005 0.000 0.298 54 F C 1.934 177.576 175.800 -0.263 0.000 1.105 54 F CA 1.701 59.552 58.000 -0.249 0.000 1.215 54 F CB -0.247 38.470 39.000 -0.472 0.000 0.972 54 F HN -0.060 nan 8.300 nan 0.000 0.483 55 F N 0.334 120.340 119.950 0.093 0.000 2.234 55 F HA -0.066 4.458 4.527 -0.005 0.000 0.296 55 F C 2.261 178.025 175.800 -0.059 0.000 1.089 55 F CA 1.300 59.302 58.000 0.004 0.000 1.343 55 F CB -0.574 38.421 39.000 -0.008 0.000 1.040 55 F HN -0.170 nan 8.300 nan 0.000 0.498 56 K N 0.140 120.594 120.400 0.089 0.000 2.002 56 K HA -0.184 4.134 4.320 -0.005 0.000 0.209 56 K C 1.556 178.146 176.600 -0.018 0.000 1.048 56 K CA 1.742 58.036 56.287 0.012 0.000 0.930 56 K CB -0.435 32.074 32.500 0.015 0.000 0.714 56 K HN 0.096 nan 8.250 nan 0.000 0.438 57 D N -0.035 120.333 120.400 -0.054 0.000 2.228 57 D HA -0.189 4.449 4.640 -0.005 0.000 0.203 57 D C 1.753 177.980 176.300 -0.122 0.000 0.988 57 D CA 1.282 55.225 54.000 -0.094 0.000 0.864 57 D CB -0.224 40.486 40.800 -0.151 0.000 0.928 57 D HN 0.370 nan 8.370 nan 0.000 0.469 58 H N -0.162 118.769 119.070 -0.232 0.000 2.333 58 H HA 0.035 4.588 4.556 -0.005 0.000 0.302 58 H C 1.993 177.270 175.328 -0.084 0.000 1.075 58 H CA 1.092 57.011 56.048 -0.216 0.000 1.348 58 H CB -0.186 29.418 29.762 -0.264 0.000 1.393 58 H HN -0.075 nan 8.280 nan 0.000 0.509 59 V N 0.638 120.562 119.914 0.016 0.000 2.515 59 V HA -0.178 3.940 4.120 -0.005 0.000 0.250 59 V C 2.122 178.249 176.094 0.056 0.000 1.058 59 V CA 1.796 64.098 62.300 0.004 0.000 1.064 59 V CB -0.317 31.409 31.823 -0.162 0.000 0.675 59 V HN 0.415 nan 8.190 nan 0.000 0.461 60 K N -0.624 119.785 120.400 0.016 0.000 1.984 60 K HA -0.127 4.191 4.320 -0.005 0.000 0.209 60 K C 1.927 178.529 176.600 0.003 0.000 1.046 60 K CA 1.604 57.913 56.287 0.037 0.000 0.934 60 K CB -0.521 31.982 32.500 0.004 0.000 0.717 60 K HN 0.314 nan 8.250 nan 0.000 0.438 61 V N 2.135 122.005 119.914 -0.074 0.000 2.736 61 V HA -0.257 3.860 4.120 -0.005 0.000 0.262 61 V C 1.944 177.991 176.094 -0.079 0.000 1.114 61 V CA 1.511 63.752 62.300 -0.099 0.000 1.133 61 V CB -0.567 31.157 31.823 -0.165 0.000 0.703 61 V HN 0.335 nan 8.190 nan 0.000 0.495 62 I N -0.606 119.936 120.570 -0.046 0.000 3.228 62 I HA 0.193 4.361 4.170 -0.005 0.000 0.279 62 I C 1.592 177.762 176.117 0.090 0.000 1.221 62 I CA 1.177 62.493 61.300 0.026 0.000 1.458 62 I CB 0.116 38.182 38.000 0.111 0.000 1.105 62 I HN 0.517 nan 8.210 nan 0.000 0.445 63 G N 0.911 109.780 108.800 0.114 0.000 2.186 63 G HA2 -0.147 3.810 3.960 -0.005 0.000 0.130 63 G HA3 -0.147 3.810 3.960 -0.005 0.000 0.130 63 G C -0.251 174.684 174.900 0.057 0.000 1.031 63 G CA -0.542 44.596 45.100 0.064 0.000 0.697 63 G HN 0.358 nan 8.290 nan 0.000 0.494 64 H N -0.695 118.435 119.070 0.101 0.000 2.748 64 H HA 0.826 5.380 4.556 -0.005 0.000 0.315 64 H C 0.548 175.949 175.328 0.122 0.000 1.429 64 H CA -0.498 55.642 56.048 0.153 0.000 1.444 64 H CB 1.011 30.962 29.762 0.315 0.000 1.827 64 H HN 0.294 nan 8.280 nan 0.000 0.754 65 R N 0.532 121.210 120.500 0.296 0.000 2.514 65 R HA 0.667 5.004 4.340 -0.005 0.000 0.301 65 R C -1.100 175.320 176.300 0.201 0.000 0.962 65 R CA -0.980 55.226 56.100 0.177 0.000 0.882 65 R CB 1.033 31.401 30.300 0.112 0.000 1.143 65 R HN 0.720 nan 8.270 nan 0.000 0.452 66 A N 5.668 128.563 122.820 0.125 0.000 2.488 66 A HA 0.331 4.648 4.320 -0.005 0.000 0.249 66 A C -2.107 175.535 177.584 0.097 0.000 1.083 66 A CA -1.106 50.987 52.037 0.093 0.000 0.768 66 A CB -0.073 18.957 19.000 0.051 0.000 1.017 66 A HN 0.607 nan 8.150 nan 0.000 0.496 67 P HA 0.216 nan 4.420 nan 0.000 0.273 67 P C -0.383 176.954 177.300 0.062 0.000 1.250 67 P CA -0.153 63.007 63.100 0.100 0.000 0.793 67 P CB 0.535 32.311 31.700 0.127 0.000 1.011 68 D N -1.693 118.736 120.400 0.048 0.000 2.277 68 D HA -0.033 4.604 4.640 -0.005 0.000 0.209 68 D C 0.678 176.999 176.300 0.035 0.000 0.970 68 D CA 0.670 54.691 54.000 0.036 0.000 0.874 68 D CB -0.596 40.220 40.800 0.026 0.000 0.982 68 D HN 0.413 nan 8.370 nan 0.000 0.504 69 N N 0.892 119.614 118.700 0.036 0.000 2.374 69 N HA 0.093 4.830 4.740 -0.005 0.000 0.284 69 N C -0.274 175.268 175.510 0.054 0.000 1.280 69 N CA -0.347 52.725 53.050 0.037 0.000 0.963 69 N CB 0.412 38.908 38.487 0.016 0.000 1.141 69 N HN -0.157 nan 8.380 nan 0.000 0.565 70 K N -1.054 119.390 120.400 0.074 0.000 2.098 70 K HA 0.386 4.703 4.320 -0.005 0.000 0.261 70 K C -0.681 175.998 176.600 0.133 0.000 0.987 70 K CA -0.772 55.570 56.287 0.091 0.000 0.916 70 K CB 0.883 33.445 32.500 0.103 0.000 1.039 70 K HN 0.282 nan 8.250 nan 0.000 0.455 71 L N 1.281 122.551 121.223 0.079 0.000 2.352 71 L HA 0.593 4.930 4.340 -0.005 0.000 0.269 71 L C -0.869 175.996 176.870 -0.009 0.000 1.034 71 L CA -0.107 54.759 54.840 0.043 0.000 0.806 71 L CB 1.583 43.609 42.059 -0.056 0.000 1.244 71 L HN 0.817 nan 8.230 nan 0.000 0.447 72 A N 2.716 125.496 122.820 -0.067 0.000 2.401 72 A HA 0.825 5.143 4.320 -0.005 0.000 0.310 72 A C -1.523 175.841 177.584 -0.367 0.000 1.075 72 A CA -0.526 51.365 52.037 -0.243 0.000 0.746 72 A CB 1.603 20.388 19.000 -0.359 0.000 1.277 72 A HN 0.421 nan 8.150 nan 0.000 0.425 73 V N 0.645 120.283 119.914 -0.459 0.000 2.680 73 V HA 0.783 4.900 4.120 -0.005 0.000 0.309 73 V C 0.649 176.501 176.094 -0.404 0.000 1.052 73 V CA -0.275 61.719 62.300 -0.510 0.000 0.908 73 V CB 1.956 33.348 31.823 -0.719 0.000 1.001 73 V HN 1.242 nan 8.190 nan 0.000 0.431 74 G N 1.763 110.340 108.800 -0.372 0.000 2.379 74 G HA2 0.594 4.551 3.960 -0.005 0.000 0.327 74 G HA3 0.594 4.551 3.960 -0.005 0.000 0.327 74 G C -0.970 173.752 174.900 -0.297 0.000 1.145 74 G CA -0.455 44.451 45.100 -0.324 0.000 0.905 74 G HN 0.644 nan 8.290 nan 0.000 0.466 75 Q N 0.988 120.606 119.800 -0.303 0.000 2.357 75 Q HA 0.522 4.860 4.340 -0.005 0.000 0.266 75 Q C -0.875 174.938 176.000 -0.313 0.000 1.021 75 Q CA -0.708 54.916 55.803 -0.299 0.000 0.784 75 Q CB 1.744 30.255 28.738 -0.378 0.000 1.243 75 Q HN 0.734 nan 8.270 nan 0.000 0.465 76 V N 3.577 123.399 119.914 -0.153 0.000 2.823 76 V HA 0.732 4.849 4.120 -0.005 0.000 0.312 76 V C -1.765 174.411 176.094 0.137 0.000 1.072 76 V CA -0.656 61.566 62.300 -0.131 0.000 0.937 76 V CB 1.609 33.413 31.823 -0.033 0.000 1.013 76 V HN 0.642 nan 8.190 nan 0.000 0.430 77 F N 5.634 125.530 119.950 -0.091 0.000 2.444 77 F HA 0.776 5.300 4.527 -0.004 0.000 0.342 77 F C -0.012 175.767 175.800 -0.034 0.000 1.121 77 F CA -1.349 56.644 58.000 -0.011 0.000 0.997 77 F CB 1.469 40.510 39.000 0.068 0.000 1.130 77 F HN 0.454 nan 8.300 nan 0.000 0.454 78 L N 4.234 125.585 121.223 0.214 0.000 2.303 78 L HA 0.635 4.972 4.340 -0.005 0.000 0.266 78 L C -2.453 174.492 176.870 0.125 0.000 1.011 78 L CA -2.390 52.581 54.840 0.219 0.000 0.818 78 L CB 1.819 43.991 42.059 0.189 0.000 1.326 78 L HN 0.313 nan 8.230 nan 0.000 0.435 79 P HA 0.073 nan 4.420 nan 0.000 0.269 79 P C -0.470 176.847 177.300 0.027 0.000 1.209 79 P CA -0.093 63.051 63.100 0.073 0.000 0.776 79 P CB 0.601 32.349 31.700 0.080 0.000 0.876 80 R N 2.697 123.191 120.500 -0.009 0.000 2.487 80 R HA 0.313 4.650 4.340 -0.005 0.000 0.272 80 R C 0.938 177.225 176.300 -0.021 0.000 0.928 80 R CA 0.227 56.310 56.100 -0.028 0.000 1.077 80 R CB 0.071 30.328 30.300 -0.072 0.000 1.265 80 R HN 0.332 nan 8.270 nan 0.000 0.537 81 I N 0.422 120.985 120.570 -0.011 0.000 3.941 81 I HA 0.120 4.287 4.170 -0.005 0.000 0.321 81 I C 0.129 176.244 176.117 -0.003 0.000 1.284 81 I CA 0.158 61.453 61.300 -0.007 0.000 1.226 81 I CB 1.024 39.021 38.000 -0.005 0.000 1.045 81 I HN 0.059 nan 8.210 nan 0.000 0.420 82 S N 1.129 116.830 115.700 0.000 0.000 2.601 82 S HA 0.357 4.824 4.470 -0.005 0.000 0.312 82 S C 1.026 175.622 174.600 -0.006 0.000 1.107 82 S CA -0.615 57.584 58.200 -0.001 0.000 1.129 82 S CB 0.537 63.740 63.200 0.005 0.000 0.982 82 S HN 0.199 nan 8.310 nan 0.000 0.469 83 L N 2.856 124.072 121.223 -0.012 0.000 2.081 83 L HA -0.128 4.209 4.340 -0.005 0.000 0.212 83 L C 2.000 178.856 176.870 -0.024 0.000 1.080 83 L CA 1.181 56.009 54.840 -0.021 0.000 0.754 83 L CB -0.581 41.464 42.059 -0.023 0.000 0.893 83 L HN 0.513 nan 8.230 nan 0.000 0.433 84 D N 0.530 120.919 120.400 -0.017 0.000 2.106 84 D HA -0.215 4.423 4.640 -0.005 0.000 0.191 84 D C 2.233 178.520 176.300 -0.021 0.000 0.997 84 D CA 1.849 55.838 54.000 -0.019 0.000 0.834 84 D CB -0.082 40.710 40.800 -0.013 0.000 0.956 84 D HN 0.356 nan 8.370 nan 0.000 0.448 85 A N 0.715 123.528 122.820 -0.011 0.000 1.898 85 A HA -0.217 4.100 4.320 -0.005 0.000 0.216 85 A C 2.108 179.686 177.584 -0.011 0.000 1.181 85 A CA 1.506 53.539 52.037 -0.008 0.000 0.620 85 A CB -0.610 18.398 19.000 0.013 0.000 0.819 85 A HN 0.275 nan 8.150 nan 0.000 0.442 86 Q N -0.553 119.242 119.800 -0.008 0.000 2.077 86 Q HA -0.241 4.096 4.340 -0.005 0.000 0.206 86 Q C 1.966 177.925 176.000 -0.069 0.000 0.989 86 Q CA 1.475 57.267 55.803 -0.018 0.000 0.853 86 Q CB -0.305 28.410 28.738 -0.038 0.000 0.907 86 Q HN 0.564 nan 8.270 nan 0.000 0.418 87 E N 0.769 120.923 120.200 -0.078 0.000 2.023 87 E HA -0.197 4.151 4.350 -0.005 0.000 0.196 87 E C 2.093 178.641 176.600 -0.086 0.000 1.003 87 E CA 1.321 57.662 56.400 -0.098 0.000 0.809 87 E CB -0.460 29.195 29.700 -0.076 0.000 0.755 87 E HN 0.361 nan 8.360 nan 0.000 0.449 88 A N 0.894 123.676 122.820 -0.065 0.000 1.896 88 A HA -0.305 4.012 4.320 -0.005 0.000 0.220 88 A C 2.753 180.278 177.584 -0.099 0.000 1.206 88 A CA 2.132 54.129 52.037 -0.068 0.000 0.647 88 A CB -1.270 17.693 19.000 -0.061 0.000 0.828 88 A HN 0.436 nan 8.150 nan 0.000 0.455 89 C N -0.289 118.947 119.300 -0.107 0.000 2.413 89 C HA -0.157 4.301 4.460 -0.005 0.000 0.277 89 C C 2.949 177.890 174.990 -0.082 0.000 1.228 89 C CA 1.314 60.233 59.018 -0.166 0.000 1.731 89 C CB -1.384 26.331 27.740 -0.041 0.000 2.042 89 C HN 0.792 nan 8.230 nan 0.000 0.468 90 R N 0.631 121.082 120.500 -0.081 0.000 2.105 90 R HA -0.149 4.188 4.340 -0.005 0.000 0.239 90 R C 1.973 178.286 176.300 0.021 0.000 1.135 90 R CA 2.101 58.150 56.100 -0.085 0.000 0.967 90 R CB -1.395 28.593 30.300 -0.520 0.000 0.861 90 R HN 0.530 nan 8.270 nan 0.000 0.442 91 C N 1.653 120.940 119.300 -0.022 0.000 2.413 91 C HA -0.031 4.426 4.460 -0.005 0.000 0.276 91 C C 2.776 177.786 174.990 0.033 0.000 1.236 91 C CA 0.429 59.455 59.018 0.013 0.000 1.735 91 C CB -0.854 26.881 27.740 -0.009 0.000 2.031 91 C HN 0.449 nan 8.230 nan 0.000 0.474 92 I N 1.180 121.743 120.570 -0.013 0.000 2.226 92 I HA -0.174 3.993 4.170 -0.005 0.000 0.245 92 I C 2.491 178.623 176.117 0.025 0.000 1.100 92 I CA 1.479 62.763 61.300 -0.027 0.000 1.374 92 I CB -0.918 37.008 38.000 -0.123 0.000 1.057 92 I HN 0.191 nan 8.210 nan 0.000 0.413 93 V N 0.991 120.954 119.914 0.082 0.000 2.255 93 V HA -0.292 3.826 4.120 -0.005 0.000 0.247 93 V C 2.421 178.606 176.094 0.151 0.000 1.051 93 V CA 2.021 64.420 62.300 0.166 0.000 1.018 93 V CB -0.781 31.259 31.823 0.362 0.000 0.641 93 V HN 0.419 nan 8.190 nan 0.000 0.445 94 E N -0.023 120.305 120.200 0.213 0.000 2.017 94 E HA -0.199 4.148 4.350 -0.005 0.000 0.193 94 E C 2.320 178.991 176.600 0.118 0.000 0.997 94 E CA 1.939 58.444 56.400 0.175 0.000 0.804 94 E CB -0.398 29.433 29.700 0.220 0.000 0.757 94 E HN 0.600 nan 8.360 nan 0.000 0.448 95 T N 1.465 116.078 114.554 0.099 0.000 2.564 95 T HA -0.238 4.109 4.350 -0.005 0.000 0.264 95 T C 1.629 176.393 174.700 0.108 0.000 1.100 95 T CA 1.737 63.889 62.100 0.087 0.000 1.171 95 T CB -0.347 68.558 68.868 0.062 0.000 0.863 95 T HN 0.163 nan 8.240 nan 0.000 0.430 96 E N 0.621 120.880 120.200 0.098 0.000 2.110 96 E HA -0.034 4.314 4.350 -0.005 0.000 0.193 96 E C 2.293 178.991 176.600 0.163 0.000 0.988 96 E CA 0.801 57.278 56.400 0.128 0.000 0.804 96 E CB -0.459 29.278 29.700 0.063 0.000 0.745 96 E HN 0.556 nan 8.360 nan 0.000 0.458 97 I N 0.769 121.402 120.570 0.106 0.000 2.394 97 I HA -0.242 3.926 4.170 -0.005 0.000 0.251 97 I C 2.378 178.646 176.117 0.251 0.000 1.136 97 I CA 0.628 62.002 61.300 0.124 0.000 1.425 97 I CB -0.162 37.869 38.000 0.051 0.000 1.079 97 I HN 0.035 nan 8.210 nan 0.000 0.425 98 L N 0.425 121.765 121.223 0.195 0.000 2.005 98 L HA -0.143 4.194 4.340 -0.005 0.000 0.207 98 L C 2.715 179.714 176.870 0.216 0.000 1.072 98 L CA 1.257 56.211 54.840 0.190 0.000 0.744 98 L CB -0.662 41.475 42.059 0.131 0.000 0.895 98 L HN 0.201 nan 8.230 nan 0.000 0.433 99 A N -1.006 121.942 122.820 0.214 0.000 2.234 99 A HA -0.190 4.127 4.320 -0.005 0.000 0.216 99 A C 1.716 179.405 177.584 0.176 0.000 1.167 99 A CA 1.308 53.449 52.037 0.173 0.000 0.698 99 A CB -0.684 18.401 19.000 0.143 0.000 0.779 99 A HN 0.388 nan 8.150 nan 0.000 0.475 100 F N -0.884 119.158 119.950 0.155 0.000 2.727 100 F HA 0.339 4.863 4.527 -0.004 0.000 0.302 100 F C 1.728 177.551 175.800 0.038 0.000 1.097 100 F CA 0.273 58.377 58.000 0.174 0.000 1.330 100 F CB 0.132 39.358 39.000 0.377 0.000 1.084 100 F HN 0.337 nan 8.300 nan 0.000 0.578 101 G N 0.095 109.010 108.800 0.192 0.000 2.246 101 G HA2 -0.333 3.625 3.960 -0.005 0.000 0.273 101 G HA3 -0.333 3.625 3.960 -0.005 0.000 0.273 101 G C -0.042 174.858 174.900 0.000 0.000 1.055 101 G CA -0.061 45.074 45.100 0.058 0.000 0.851 101 G HN 0.333 nan 8.290 nan 0.000 0.500 102 Y N -1.628 118.799 120.300 0.211 0.000 2.453 102 Y HA 0.686 5.233 4.550 -0.004 0.000 0.344 102 Y C 0.465 176.498 175.900 0.222 0.000 1.323 102 Y CA -0.879 57.349 58.100 0.214 0.000 1.526 102 Y CB 0.667 39.287 38.460 0.267 0.000 1.603 102 Y HN 0.230 nan 8.280 nan 0.000 0.563 103 Y N 1.008 121.471 120.300 0.272 0.000 2.409 103 Y HA 0.544 5.091 4.550 -0.004 0.000 0.343 103 Y C -1.149 174.804 175.900 0.089 0.000 0.973 103 Y CA -1.595 56.569 58.100 0.107 0.000 1.064 103 Y CB 0.813 39.280 38.460 0.012 0.000 1.207 103 Y HN 0.331 nan 8.280 nan 0.000 0.452 104 I N 7.814 127.937 120.570 -0.745 0.000 2.307 104 I HA 0.090 4.258 4.170 -0.005 0.000 0.289 104 I C -0.354 175.313 176.117 -0.749 0.000 1.021 104 I CA -0.464 60.523 61.300 -0.521 0.000 1.224 104 I CB 0.889 38.720 38.000 -0.282 0.000 1.376 104 I HN 0.780 nan 8.210 nan 0.000 0.470 105 Y N 4.867 124.885 120.300 -0.471 0.000 2.439 105 Y HA 0.162 4.709 4.550 -0.005 0.000 0.292 105 Y C 1.568 177.360 175.900 -0.181 0.000 1.130 105 Y CA 0.565 58.459 58.100 -0.345 0.000 1.254 105 Y CB -0.286 38.015 38.460 -0.265 0.000 1.000 105 Y HN 0.722 nan 8.280 nan 0.000 0.554 106 G N -2.218 106.565 108.800 -0.028 0.000 2.392 106 G HA2 -0.067 3.891 3.960 -0.005 0.000 0.677 106 G HA3 -0.067 3.891 3.960 -0.005 0.000 0.677 106 G C -1.191 173.664 174.900 -0.075 0.000 1.334 106 G CA -1.335 43.780 45.100 0.025 0.000 0.961 106 G HN 0.064 nan 8.290 nan 0.000 0.616 107 W N -0.104 121.240 121.300 0.072 0.000 2.129 107 W HA 0.751 5.408 4.660 -0.005 0.000 0.349 107 W C 1.179 177.754 176.519 0.093 0.000 1.279 107 W CA -0.014 57.373 57.345 0.070 0.000 1.306 107 W CB 0.597 30.093 29.460 0.060 0.000 1.140 107 W HN 0.640 nan 8.180 nan 0.000 0.613 108 R N 1.905 122.585 120.500 0.300 0.000 2.695 108 R HA 0.119 4.457 4.340 -0.005 0.000 0.288 108 R C -0.821 175.596 176.300 0.194 0.000 1.344 108 R CA -0.694 55.527 56.100 0.201 0.000 1.005 108 R CB 0.805 31.129 30.300 0.040 0.000 1.233 108 R HN 0.684 nan 8.270 nan 0.000 0.442 109 Q N 3.498 123.408 119.800 0.184 0.000 2.262 109 Q HA 0.055 4.393 4.340 -0.005 0.000 0.298 109 Q C -0.829 175.248 176.000 0.127 0.000 1.083 109 Q CA 0.022 55.913 55.803 0.145 0.000 0.962 109 Q CB 0.934 29.735 28.738 0.105 0.000 1.104 109 Q HN 0.408 nan 8.270 nan 0.000 0.376 110 V N 7.612 127.603 119.914 0.128 0.000 2.508 110 V HA 0.207 4.324 4.120 -0.005 0.000 0.281 110 V C -1.921 174.230 176.094 0.094 0.000 1.041 110 V CA -1.480 60.896 62.300 0.127 0.000 1.016 110 V CB 0.674 32.575 31.823 0.131 0.000 0.984 110 V HN 0.881 nan 8.190 nan 0.000 0.478 111 P HA 0.336 nan 4.420 nan 0.000 0.267 111 P C -0.502 176.785 177.300 -0.022 0.000 1.205 111 P CA 0.258 63.379 63.100 0.034 0.000 0.765 111 P CB 0.333 32.065 31.700 0.055 0.000 0.828 112 I N -0.947 119.529 120.570 -0.156 0.000 3.004 112 I HA 0.501 4.668 4.170 -0.005 0.000 0.305 112 I C -1.331 174.570 176.117 -0.361 0.000 1.312 112 I CA -1.173 59.864 61.300 -0.440 0.000 0.992 112 I CB 2.823 40.350 38.000 -0.788 0.000 1.282 112 I HN 0.115 nan 8.210 nan 0.000 0.449 113 N N 2.997 121.462 118.700 -0.392 0.000 2.518 113 N HA 0.395 5.132 4.740 -0.005 0.000 0.254 113 N C 0.574 176.070 175.510 -0.022 0.000 0.979 113 N CA -0.776 52.186 53.050 -0.148 0.000 0.930 113 N CB 1.851 40.295 38.487 -0.072 0.000 1.152 113 N HN 0.704 nan 8.380 nan 0.000 0.505 114 V N 0.319 120.241 119.914 0.014 0.000 3.510 114 V HA 0.056 4.173 4.120 -0.005 0.000 0.270 114 V C 0.905 177.072 176.094 0.122 0.000 1.201 114 V CA 0.716 63.108 62.300 0.152 0.000 1.166 114 V CB -0.221 31.672 31.823 0.117 0.000 0.825 114 V HN 0.574 nan 8.190 nan 0.000 0.484 115 D N 2.198 122.640 120.400 0.070 0.000 2.178 115 D HA -0.025 4.612 4.640 -0.005 0.000 0.202 115 D C 1.667 178.002 176.300 0.058 0.000 0.974 115 D CA 1.831 55.860 54.000 0.050 0.000 0.841 115 D CB -0.107 40.706 40.800 0.022 0.000 0.953 115 D HN 0.783 nan 8.370 nan 0.000 0.478 116 I N -1.602 119.016 120.570 0.080 0.000 3.780 116 I HA 0.232 4.399 4.170 -0.005 0.000 0.312 116 I C 0.016 176.181 176.117 0.079 0.000 1.377 116 I CA 0.032 61.369 61.300 0.062 0.000 1.224 116 I CB -0.203 37.826 38.000 0.048 0.000 1.110 116 I HN -0.239 nan 8.210 nan 0.000 0.418 117 I N 0.736 121.367 120.570 0.102 0.000 2.892 117 I HA 0.573 4.741 4.170 -0.005 0.000 0.306 117 I C 0.639 176.800 176.117 0.073 0.000 1.078 117 I CA -0.693 60.670 61.300 0.105 0.000 1.032 117 I CB 2.351 40.479 38.000 0.214 0.000 1.229 117 I HN 0.216 nan 8.210 nan 0.000 0.435 118 G N 1.742 110.571 108.800 0.047 0.000 2.522 118 G HA2 0.264 4.221 3.960 -0.005 0.000 0.304 118 G HA3 0.264 4.221 3.960 -0.005 0.000 0.304 118 G C 0.378 175.309 174.900 0.052 0.000 1.210 118 G CA -0.172 44.946 45.100 0.029 0.000 0.960 118 G HN 0.773 nan 8.290 nan 0.000 0.497 119 E N -0.469 119.753 120.200 0.037 0.000 2.028 119 E HA -0.118 4.229 4.350 -0.005 0.000 0.191 119 E C 2.254 178.892 176.600 0.064 0.000 0.988 119 E CA 1.060 57.489 56.400 0.050 0.000 0.799 119 E CB 0.003 29.725 29.700 0.037 0.000 0.755 119 E HN 0.343 nan 8.360 nan 0.000 0.447 120 K N 0.503 120.929 120.400 0.044 0.000 2.081 120 K HA -0.291 4.026 4.320 -0.005 0.000 0.222 120 K C 1.727 178.388 176.600 0.101 0.000 1.055 120 K CA 2.107 58.425 56.287 0.051 0.000 0.954 120 K CB -0.800 31.697 32.500 -0.005 0.000 0.732 120 K HN 0.241 nan 8.250 nan 0.000 0.458 121 A N -0.164 122.720 122.820 0.105 0.000 1.897 121 A HA -0.105 4.212 4.320 -0.005 0.000 0.215 121 A C 2.019 179.801 177.584 0.330 0.000 1.181 121 A CA 1.789 53.961 52.037 0.225 0.000 0.620 121 A CB -0.664 18.417 19.000 0.134 0.000 0.821 121 A HN 0.526 nan 8.150 nan 0.000 0.443 122 N N 0.148 118.972 118.700 0.206 0.000 2.520 122 N HA 0.003 4.740 4.740 -0.005 0.000 0.185 122 N C 1.495 177.056 175.510 0.085 0.000 1.068 122 N CA 1.267 54.408 53.050 0.152 0.000 0.911 122 N CB -0.228 38.328 38.487 0.115 0.000 0.961 122 N HN 0.371 nan 8.380 nan 0.000 0.446 123 A N -0.621 122.261 122.820 0.102 0.000 1.873 123 A HA -0.086 4.232 4.320 -0.005 0.000 0.215 123 A C 2.062 179.677 177.584 0.052 0.000 1.186 123 A CA 1.889 53.968 52.037 0.070 0.000 0.616 123 A CB -1.144 17.907 19.000 0.085 0.000 0.823 123 A HN 0.498 nan 8.150 nan 0.000 0.442 124 T N -2.683 111.934 114.554 0.104 0.000 3.235 124 T HA 0.215 4.562 4.350 -0.005 0.000 0.251 124 T C 0.616 175.231 174.700 -0.142 0.000 1.060 124 T CA -0.387 61.755 62.100 0.071 0.000 0.949 124 T CB -0.428 68.556 68.868 0.195 0.000 1.020 124 T HN 0.325 nan 8.240 nan 0.000 0.564 125 R N 2.998 123.340 120.500 -0.264 0.000 2.421 125 R HA 0.218 4.555 4.340 -0.005 0.000 0.305 125 R C -2.182 173.722 176.300 -0.660 0.000 1.039 125 R CA -1.455 54.148 56.100 -0.830 0.000 1.003 125 R CB 0.456 30.457 30.300 -0.497 0.000 0.959 125 R HN 0.298 nan 8.270 nan 0.000 0.427 126 P HA 0.049 nan 4.420 nan 0.000 0.279 126 P C -1.119 175.996 177.300 -0.307 0.000 1.282 126 P CA -0.315 62.517 63.100 -0.447 0.000 0.788 126 P CB 0.579 31.970 31.700 -0.516 0.000 1.139 127 E N 0.186 120.317 120.200 -0.114 0.000 2.200 127 E HA 0.356 4.703 4.350 -0.005 0.000 0.283 127 E C -0.955 175.681 176.600 0.060 0.000 1.015 127 E CA -0.298 56.080 56.400 -0.036 0.000 0.819 127 E CB -0.326 29.373 29.700 -0.001 0.000 1.081 127 E HN 0.241 nan 8.360 nan 0.000 0.397 128 I N 4.596 125.224 120.570 0.096 0.000 2.312 128 I HA 0.351 4.518 4.170 -0.005 0.000 0.290 128 I C 0.094 176.334 176.117 0.205 0.000 1.008 128 I CA -0.456 60.985 61.300 0.236 0.000 1.226 128 I CB 1.021 39.204 38.000 0.306 0.000 1.371 128 I HN 0.539 nan 8.210 nan 0.000 0.468 129 E N 5.469 125.809 120.200 0.234 0.000 2.393 129 E HA 0.487 4.834 4.350 -0.005 0.000 0.273 129 E C -1.381 175.343 176.600 0.207 0.000 0.918 129 E CA -0.980 55.571 56.400 0.251 0.000 0.773 129 E CB 2.652 32.572 29.700 0.367 0.000 1.275 129 E HN 0.494 nan 8.360 nan 0.000 0.451 130 Q N 0.967 120.864 119.800 0.161 0.000 2.301 130 Q HA 0.649 4.986 4.340 -0.005 0.000 0.267 130 Q C -0.901 174.988 176.000 -0.186 0.000 1.035 130 Q CA -0.746 55.054 55.803 -0.005 0.000 0.856 130 Q CB 2.725 31.477 28.738 0.024 0.000 1.337 130 Q HN 0.465 nan 8.270 nan 0.000 0.450 131 I N 1.644 121.948 120.570 -0.444 0.000 2.498 131 I HA 0.470 4.637 4.170 -0.005 0.000 0.290 131 I C -1.481 174.348 176.117 -0.480 0.000 1.032 131 I CA -0.850 59.983 61.300 -0.779 0.000 1.073 131 I CB 1.056 38.285 38.000 -1.284 0.000 1.251 131 I HN 0.583 nan 8.210 nan 0.000 0.426 132 I N 7.598 127.959 120.570 -0.349 0.000 2.359 132 I HA 0.499 4.667 4.170 -0.005 0.000 0.294 132 I C -0.684 175.377 176.117 -0.093 0.000 0.987 132 I CA -0.837 60.331 61.300 -0.221 0.000 1.225 132 I CB 1.695 39.611 38.000 -0.139 0.000 1.366 132 I HN 0.269 nan 8.210 nan 0.000 0.466 133 V N 4.150 124.033 119.914 -0.052 0.000 2.876 133 V HA 0.761 4.878 4.120 -0.005 0.000 0.312 133 V C 0.215 176.494 176.094 0.309 0.000 1.085 133 V CA -0.478 61.886 62.300 0.107 0.000 0.945 133 V CB 2.180 33.995 31.823 -0.014 0.000 1.017 133 V HN 0.928 nan 8.190 nan 0.000 0.428 134 G N 0.889 109.996 108.800 0.512 0.000 2.481 134 G HA2 0.445 4.402 3.960 -0.005 0.000 0.315 134 G HA3 0.445 4.402 3.960 -0.005 0.000 0.315 134 G C -0.788 174.359 174.900 0.411 0.000 1.231 134 G CA -0.594 44.831 45.100 0.542 0.000 0.968 134 G HN 0.552 nan 8.290 nan 0.000 0.482 135 N N 1.038 119.811 118.700 0.121 0.000 3.229 135 N HA 0.011 4.748 4.740 -0.005 0.000 0.275 135 N C 1.368 176.858 175.510 -0.033 0.000 1.225 135 N CA -0.676 52.266 53.050 -0.180 0.000 1.119 135 N CB 0.221 38.289 38.487 -0.698 0.000 1.392 135 N HN 0.543 nan 8.380 nan 0.000 0.520 136 N N 1.864 120.605 118.700 0.068 0.000 2.309 136 N HA -0.153 4.584 4.740 -0.005 0.000 0.182 136 N C 0.660 176.123 175.510 -0.079 0.000 1.018 136 N CA 1.002 54.048 53.050 -0.007 0.000 0.876 136 N CB -0.024 38.466 38.487 0.004 0.000 0.972 136 N HN 0.394 nan 8.380 nan 0.000 0.434 137 K N 0.052 120.360 120.400 -0.153 0.000 2.504 137 K HA 0.056 4.374 4.320 -0.005 0.000 0.195 137 K C 0.642 177.177 176.600 -0.109 0.000 1.036 137 K CA 0.487 56.670 56.287 -0.175 0.000 0.984 137 K CB -0.261 32.058 32.500 -0.301 0.000 0.788 137 K HN 0.378 nan 8.250 nan 0.000 0.488 138 G N 1.839 110.579 108.800 -0.099 0.000 2.305 138 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.287 138 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.287 138 G C 0.256 175.126 174.900 -0.050 0.000 1.036 138 G CA 0.199 45.258 45.100 -0.070 0.000 0.887 138 G HN 0.109 nan 8.290 nan 0.000 0.505 139 V N 0.132 120.012 119.914 -0.056 0.000 3.596 139 V HA 0.679 4.796 4.120 -0.005 0.000 0.288 139 V C 1.444 177.549 176.094 0.019 0.000 1.021 139 V CA 0.169 62.473 62.300 0.008 0.000 1.020 139 V CB 1.505 33.373 31.823 0.075 0.000 1.243 139 V HN 1.022 nan 8.190 nan 0.000 0.433 140 S N -0.366 115.374 115.700 0.067 0.000 2.652 140 S HA 0.181 4.648 4.470 -0.005 0.000 0.270 140 S C 0.642 175.315 174.600 0.121 0.000 1.243 140 S CA -0.502 57.743 58.200 0.075 0.000 0.999 140 S CB 0.989 64.233 63.200 0.074 0.000 0.973 140 S HN 0.640 nan 8.310 nan 0.000 0.544 141 D N 1.468 121.934 120.400 0.111 0.000 2.160 141 D HA -0.166 4.471 4.640 -0.005 0.000 0.189 141 D C 1.777 178.167 176.300 0.150 0.000 1.003 141 D CA 2.156 56.241 54.000 0.141 0.000 0.846 141 D CB -0.511 40.347 40.800 0.096 0.000 0.949 141 D HN 0.771 nan 8.370 nan 0.000 0.446 142 E N 0.471 120.737 120.200 0.110 0.000 2.118 142 E HA -0.147 4.201 4.350 -0.005 0.000 0.195 142 E C 2.030 178.710 176.600 0.134 0.000 0.992 142 E CA 0.741 57.200 56.400 0.099 0.000 0.804 142 E CB -0.250 29.494 29.700 0.074 0.000 0.741 142 E HN 0.255 nan 8.360 nan 0.000 0.458 143 Q N -0.912 118.988 119.800 0.167 0.000 2.297 143 Q HA -0.032 4.305 4.340 -0.005 0.000 0.204 143 Q C 1.722 177.909 176.000 0.311 0.000 0.962 143 Q CA 0.517 56.447 55.803 0.211 0.000 0.879 143 Q CB -0.120 28.740 28.738 0.203 0.000 0.947 143 Q HN 0.285 nan 8.270 nan 0.000 0.462 144 F N 2.022 122.024 119.950 0.087 0.000 2.163 144 F HA -0.119 4.405 4.527 -0.004 0.000 0.297 144 F C 1.962 177.740 175.800 -0.036 0.000 1.094 144 F CA 1.058 59.077 58.000 0.031 0.000 1.290 144 F CB 0.032 39.042 39.000 0.016 0.000 1.017 144 F HN 0.025 nan 8.300 nan 0.000 0.483 145 E N 0.094 120.326 120.200 0.053 0.000 2.077 145 E HA -0.186 4.161 4.350 -0.005 0.000 0.193 145 E C 2.301 178.905 176.600 0.006 0.000 0.989 145 E CA 0.897 57.263 56.400 -0.056 0.000 0.800 145 E CB -1.041 28.650 29.700 -0.015 0.000 0.746 145 E HN 0.318 nan 8.360 nan 0.000 0.452 146 L N 1.980 123.260 121.223 0.096 0.000 1.994 146 L HA -0.156 4.182 4.340 -0.005 0.000 0.208 146 L C 1.448 178.405 176.870 0.146 0.000 1.071 146 L CA 2.011 56.954 54.840 0.172 0.000 0.745 146 L CB -1.059 41.109 42.059 0.183 0.000 0.892 146 L HN -0.090 nan 8.230 nan 0.000 0.431 147 D N -0.237 120.234 120.400 0.120 0.000 2.116 147 D HA -0.224 4.413 4.640 -0.005 0.000 0.193 147 D C 2.406 178.490 176.300 -0.360 0.000 0.998 147 D CA 1.625 55.615 54.000 -0.015 0.000 0.836 147 D CB -0.345 40.591 40.800 0.227 0.000 0.951 147 D HN 0.348 nan 8.370 nan 0.000 0.449 148 L N -0.223 120.805 121.223 -0.324 0.000 2.043 148 L HA -0.263 4.074 4.340 -0.005 0.000 0.212 148 L C 2.375 179.087 176.870 -0.264 0.000 1.075 148 L CA 1.213 55.806 54.840 -0.410 0.000 0.752 148 L CB -0.419 41.346 42.059 -0.490 0.000 0.891 148 L HN 0.131 nan 8.230 nan 0.000 0.432 149 Y N 0.869 121.023 120.300 -0.244 0.000 2.049 149 Y HA -0.278 4.269 4.550 -0.005 0.000 0.277 149 Y C 2.432 178.219 175.900 -0.189 0.000 1.143 149 Y CA 1.590 59.590 58.100 -0.168 0.000 1.115 149 Y CB -0.600 37.819 38.460 -0.068 0.000 0.975 149 Y HN 0.029 nan 8.280 nan 0.000 0.487 150 I N -0.001 120.354 120.570 -0.359 0.000 2.194 150 I HA -0.376 3.791 4.170 -0.005 0.000 0.246 150 I C 2.476 178.301 176.117 -0.487 0.000 1.093 150 I CA 1.888 62.891 61.300 -0.495 0.000 1.355 150 I CB -0.701 37.086 38.000 -0.355 0.000 1.046 150 I HN 0.265 nan 8.210 nan 0.000 0.413 151 I N 0.413 120.646 120.570 -0.561 0.000 2.163 151 I HA -0.325 3.842 4.170 -0.005 0.000 0.243 151 I C 2.880 178.837 176.117 -0.266 0.000 1.085 151 I CA 1.427 62.459 61.300 -0.446 0.000 1.347 151 I CB -0.542 37.163 38.000 -0.493 0.000 1.044 151 I HN 0.224 nan 8.210 nan 0.000 0.408 152 R N 0.855 121.200 120.500 -0.259 0.000 2.103 152 R HA -0.191 4.147 4.340 -0.005 0.000 0.242 152 R C 2.497 178.711 176.300 -0.144 0.000 1.142 152 R CA 1.480 57.480 56.100 -0.168 0.000 0.960 152 R CB -0.076 30.142 30.300 -0.135 0.000 0.858 152 R HN 0.271 nan 8.270 nan 0.000 0.439 153 R N 0.208 120.558 120.500 -0.249 0.000 2.092 153 R HA -0.078 4.260 4.340 -0.005 0.000 0.231 153 R C 2.236 178.456 176.300 -0.133 0.000 1.119 153 R CA 1.157 57.125 56.100 -0.220 0.000 0.970 153 R CB -0.458 29.608 30.300 -0.389 0.000 0.864 153 R HN 0.347 nan 8.270 nan 0.000 0.440 154 R N 0.252 120.670 120.500 -0.136 0.000 2.092 154 R HA 0.006 4.344 4.340 -0.005 0.000 0.231 154 R C 2.410 178.686 176.300 -0.039 0.000 1.119 154 R CA 1.064 57.127 56.100 -0.061 0.000 0.970 154 R CB -0.327 29.957 30.300 -0.026 0.000 0.864 154 R HN 0.201 nan 8.270 nan 0.000 0.440 155 I N 0.536 121.081 120.570 -0.041 0.000 2.163 155 I HA -0.249 3.918 4.170 -0.005 0.000 0.240 155 I C 2.412 178.510 176.117 -0.031 0.000 1.081 155 I CA 1.279 62.559 61.300 -0.033 0.000 1.353 155 I CB -0.284 37.729 38.000 0.021 0.000 1.054 155 I HN 0.184 nan 8.210 nan 0.000 0.407 156 E N 1.279 121.503 120.200 0.040 0.000 2.048 156 E HA -0.345 4.003 4.350 -0.005 0.000 0.202 156 E C 2.150 178.772 176.600 0.036 0.000 1.021 156 E CA 2.166 58.623 56.400 0.095 0.000 0.825 156 E CB -0.076 29.654 29.700 0.049 0.000 0.756 156 E HN 0.223 nan 8.360 nan 0.000 0.454 157 K N -0.300 120.100 120.400 -0.000 0.000 2.074 157 K HA -0.217 4.101 4.320 -0.005 0.000 0.209 157 K C 1.951 178.543 176.600 -0.014 0.000 1.048 157 K CA 1.563 57.847 56.287 -0.005 0.000 0.926 157 K CB -0.245 32.246 32.500 -0.014 0.000 0.713 157 K HN 0.197 nan 8.250 nan 0.000 0.444 158 A N 0.298 123.099 122.820 -0.032 0.000 1.898 158 A HA -0.075 4.242 4.320 -0.005 0.000 0.216 158 A C 2.234 179.776 177.584 -0.069 0.000 1.181 158 A CA 1.565 53.576 52.037 -0.045 0.000 0.620 158 A CB -0.577 18.390 19.000 -0.055 0.000 0.819 158 A HN 0.169 nan 8.150 nan 0.000 0.442 159 V N 0.782 120.627 119.914 -0.116 0.000 2.407 159 V HA -0.288 3.829 4.120 -0.005 0.000 0.248 159 V C 2.493 178.558 176.094 -0.048 0.000 1.055 159 V CA 2.367 64.573 62.300 -0.157 0.000 1.049 159 V CB -0.792 30.878 31.823 -0.255 0.000 0.662 159 V HN 0.734 nan 8.190 nan 0.000 0.455 160 K N 0.957 121.352 120.400 -0.009 0.000 1.978 160 K HA -0.180 4.137 4.320 -0.005 0.000 0.214 160 K C 2.195 178.798 176.600 0.004 0.000 1.049 160 K CA 2.047 58.346 56.287 0.020 0.000 0.939 160 K CB -0.888 31.631 32.500 0.032 0.000 0.721 160 K HN 0.426 nan 8.250 nan 0.000 0.441 161 G N 0.650 109.447 108.800 -0.004 0.000 2.499 161 G HA2 -0.267 3.691 3.960 -0.005 0.000 0.221 161 G HA3 -0.267 3.691 3.960 -0.005 0.000 0.221 161 G C 1.274 176.167 174.900 -0.012 0.000 1.109 161 G CA 0.974 46.071 45.100 -0.006 0.000 0.749 161 G HN 0.457 nan 8.290 nan 0.000 0.568 162 E N 0.069 120.256 120.200 -0.023 0.000 2.418 162 E HA 0.023 4.371 4.350 -0.005 0.000 0.197 162 E C 1.087 177.680 176.600 -0.012 0.000 1.026 162 E CA 0.029 56.415 56.400 -0.024 0.000 0.862 162 E CB -0.215 29.459 29.700 -0.044 0.000 0.799 162 E HN 0.543 nan 8.360 nan 0.000 0.518 163 Q N -0.585 119.213 119.800 -0.003 0.000 2.464 163 Q HA -0.207 4.130 4.340 -0.005 0.000 0.304 163 Q C -0.871 175.139 176.000 0.016 0.000 1.401 163 Q CA 0.366 56.175 55.803 0.010 0.000 0.806 163 Q CB -2.100 26.643 28.738 0.008 0.000 1.134 163 Q HN 0.305 nan 8.270 nan 0.000 0.411 164 I N 1.178 121.760 120.570 0.019 0.000 2.359 164 I HA 0.253 4.420 4.170 -0.005 0.000 0.294 164 I C 0.504 176.671 176.117 0.084 0.000 0.987 164 I CA -0.618 60.704 61.300 0.035 0.000 1.225 164 I CB 1.060 39.062 38.000 0.004 0.000 1.366 164 I HN 0.145 nan 8.210 nan 0.000 0.466 165 N N 5.607 124.358 118.700 0.086 0.000 2.508 165 N HA 0.219 4.957 4.740 -0.005 0.000 0.285 165 N C -0.419 175.179 175.510 0.148 0.000 1.144 165 N CA -0.240 52.877 53.050 0.110 0.000 0.978 165 N CB 1.175 39.707 38.487 0.076 0.000 1.180 165 N HN 0.596 nan 8.380 nan 0.000 0.484 166 D N -0.283 120.219 120.400 0.171 0.000 3.051 166 D HA -0.214 4.423 4.640 -0.005 0.000 0.218 166 D C -0.736 175.726 176.300 0.270 0.000 1.129 166 D CA 0.595 54.702 54.000 0.179 0.000 0.868 166 D CB -1.590 39.277 40.800 0.112 0.000 1.100 166 D HN 0.356 nan 8.370 nan 0.000 0.429 167 F N 1.503 121.558 119.950 0.175 0.000 2.443 167 F HA 0.574 5.098 4.527 -0.005 0.000 0.335 167 F C -0.955 175.031 175.800 0.310 0.000 1.104 167 F CA -0.798 57.323 58.000 0.201 0.000 1.013 167 F CB 1.279 40.353 39.000 0.124 0.000 1.136 167 F HN -0.021 nan 8.300 nan 0.000 0.470 168 Y N 6.500 126.381 120.300 -0.700 0.000 2.424 168 Y HA 0.487 5.034 4.550 -0.004 0.000 0.323 168 Y C -1.806 173.706 175.900 -0.646 0.000 1.174 168 Y CA -1.392 56.425 58.100 -0.472 0.000 1.060 168 Y CB 1.180 39.634 38.460 -0.010 0.000 1.314 168 Y HN 0.522 nan 8.280 nan 0.000 0.439 169 I N 6.785 126.626 120.570 -1.215 0.000 2.291 169 I HA 0.133 4.300 4.170 -0.005 0.000 0.290 169 I C 0.627 176.154 176.117 -0.984 0.000 1.050 169 I CA -0.437 60.322 61.300 -0.902 0.000 1.245 169 I CB 0.619 38.295 38.000 -0.539 0.000 1.405 169 I HN 0.834 nan 8.210 nan 0.000 0.478 170 C N 3.038 121.895 119.300 -0.737 0.000 2.491 170 C HA -0.070 4.388 4.460 -0.005 0.000 0.283 170 C C 1.519 176.313 174.990 -0.327 0.000 1.238 170 C CA 0.558 59.337 59.018 -0.398 0.000 1.735 170 C CB -0.895 26.633 27.740 -0.354 0.000 2.080 170 C HN 0.868 nan 8.230 nan 0.000 0.463 171 S N -0.516 114.983 115.700 -0.335 0.000 2.599 171 S HA 0.723 5.190 4.470 -0.005 0.000 0.294 171 S C -1.188 173.237 174.600 -0.292 0.000 1.094 171 S CA -0.471 57.558 58.200 -0.285 0.000 0.931 171 S CB 1.854 64.885 63.200 -0.282 0.000 1.093 171 S HN 0.346 nan 8.310 nan 0.000 0.488 172 L N 2.558 123.622 121.223 -0.265 0.000 2.440 172 L HA 0.646 4.983 4.340 -0.005 0.000 0.261 172 L C -0.560 176.127 176.870 -0.306 0.000 1.382 172 L CA 0.460 55.127 54.840 -0.289 0.000 0.871 172 L CB 0.551 42.451 42.059 -0.265 0.000 1.052 172 L HN 1.138 nan 8.230 nan 0.000 0.509 173 S N 1.245 116.759 115.700 -0.310 0.000 2.705 173 S HA 0.891 5.358 4.470 -0.005 0.000 0.280 173 S C 0.326 174.742 174.600 -0.307 0.000 1.174 173 S CA -0.020 57.990 58.200 -0.317 0.000 0.823 173 S CB 1.541 64.622 63.200 -0.199 0.000 1.162 173 S HN 0.643 nan 8.310 nan 0.000 0.487 174 A N 0.065 122.729 122.820 -0.259 0.000 2.348 174 A HA 0.393 4.710 4.320 -0.005 0.000 0.224 174 A C 1.831 179.386 177.584 -0.048 0.000 1.227 174 A CA 0.247 52.200 52.037 -0.141 0.000 0.885 174 A CB -0.378 18.613 19.000 -0.016 0.000 0.933 174 A HN 0.800 nan 8.150 nan 0.000 0.506 175 R N -0.637 119.845 120.500 -0.031 0.000 2.105 175 R HA 0.210 4.548 4.340 -0.005 0.000 0.214 175 R C -0.171 176.204 176.300 0.126 0.000 1.091 175 R CA 1.227 57.364 56.100 0.062 0.000 1.007 175 R CB 0.258 30.607 30.300 0.083 0.000 0.912 175 R HN 0.336 nan 8.270 nan 0.000 0.450 176 S N -0.383 115.357 115.700 0.067 0.000 2.568 176 S HA 0.512 4.979 4.470 -0.005 0.000 0.293 176 S C -1.201 173.355 174.600 -0.073 0.000 1.089 176 S CA -0.711 57.564 58.200 0.124 0.000 0.945 176 S CB 2.254 65.554 63.200 0.167 0.000 1.077 176 S HN 0.296 nan 8.310 nan 0.000 0.485 177 I N 1.497 122.022 120.570 -0.075 0.000 2.894 177 I HA 0.624 4.792 4.170 -0.005 0.000 0.302 177 I C -2.026 174.016 176.117 -0.125 0.000 1.188 177 I CA -1.206 60.015 61.300 -0.131 0.000 1.014 177 I CB 1.545 39.529 38.000 -0.028 0.000 1.242 177 I HN 0.657 nan 8.210 nan 0.000 0.430 178 I N 6.209 126.676 120.570 -0.172 0.000 2.439 178 I HA 0.298 4.465 4.170 -0.005 0.000 0.285 178 I C -1.530 174.585 176.117 -0.003 0.000 1.021 178 I CA -0.410 60.855 61.300 -0.060 0.000 1.091 178 I CB 1.608 39.534 38.000 -0.123 0.000 1.242 178 I HN 0.427 nan 8.210 nan 0.000 0.439 179 Y N 7.042 127.387 120.300 0.075 0.000 2.353 179 Y HA 0.498 5.045 4.550 -0.005 0.000 0.340 179 Y C 0.188 176.342 175.900 0.423 0.000 0.972 179 Y CA -0.364 57.824 58.100 0.146 0.000 1.157 179 Y CB 1.166 39.609 38.460 -0.028 0.000 1.157 179 Y HN 0.428 nan 8.280 nan 0.000 0.495 180 K N 2.064 122.890 120.400 0.710 0.000 2.555 180 K HA 0.930 5.248 4.320 -0.005 0.000 0.279 180 K C -1.071 175.919 176.600 0.650 0.000 0.986 180 K CA -0.880 55.745 56.287 0.564 0.000 0.880 180 K CB 2.341 34.998 32.500 0.262 0.000 1.474 180 K HN 0.749 nan 8.250 nan 0.000 0.433 181 G N 0.445 109.300 108.800 0.093 0.000 2.320 181 G HA2 0.316 4.273 3.960 -0.005 0.000 0.296 181 G HA3 0.316 4.273 3.960 -0.005 0.000 0.296 181 G C -1.647 172.525 174.900 -1.212 0.000 1.306 181 G CA -0.881 44.117 45.100 -0.170 0.000 0.836 181 G HN 0.483 nan 8.290 nan 0.000 0.517 182 M N 1.493 119.972 119.600 -1.870 0.000 3.652 182 M HA 0.539 5.017 4.480 -0.005 0.000 0.208 182 M C -0.966 174.706 176.300 -1.046 0.000 1.307 182 M CA -0.623 53.776 55.300 -1.500 0.000 1.524 182 M CB -1.290 30.144 32.600 -1.944 0.000 1.067 182 M HN 0.391 nan 8.290 nan 0.000 0.590 183 F N -1.159 118.398 119.950 -0.656 0.000 2.599 183 F HA 0.660 5.184 4.527 -0.005 0.000 0.311 183 F C -1.049 174.574 175.800 -0.294 0.000 1.076 183 F CA -2.095 55.627 58.000 -0.462 0.000 0.937 183 F CB 0.389 39.047 39.000 -0.570 0.000 1.282 183 F HN -0.244 nan 8.300 nan 0.000 0.460 184 L N 2.713 123.912 121.223 -0.039 0.000 2.615 184 L HA 0.119 4.457 4.340 -0.005 0.000 0.284 184 L C 1.675 178.599 176.870 0.090 0.000 1.237 184 L CA 0.783 55.606 54.840 -0.028 0.000 0.905 184 L CB -0.469 41.582 42.059 -0.014 0.000 1.149 184 L HN 1.034 nan 8.230 nan 0.000 0.499 185 A N 3.933 126.767 122.820 0.022 0.000 1.948 185 A HA -0.225 4.092 4.320 -0.005 0.000 0.220 185 A C 1.831 179.479 177.584 0.106 0.000 1.177 185 A CA 1.888 53.979 52.037 0.090 0.000 0.636 185 A CB -0.516 18.515 19.000 0.052 0.000 0.815 185 A HN 0.875 nan 8.150 nan 0.000 0.449 186 E N -0.139 120.101 120.200 0.067 0.000 2.265 186 E HA -0.174 4.173 4.350 -0.005 0.000 0.196 186 E C 1.088 177.695 176.600 0.011 0.000 0.996 186 E CA 1.082 57.495 56.400 0.021 0.000 0.832 186 E CB -0.132 29.541 29.700 -0.045 0.000 0.756 186 E HN 0.643 nan 8.360 nan 0.000 0.491 187 Q N 0.474 120.306 119.800 0.054 0.000 2.204 187 Q HA 0.137 4.474 4.340 -0.005 0.000 0.209 187 Q C 1.726 177.705 176.000 -0.036 0.000 0.861 187 Q CA -0.063 55.751 55.803 0.018 0.000 0.971 187 Q CB 0.509 29.261 28.738 0.023 0.000 1.095 187 Q HN 0.294 nan 8.270 nan 0.000 0.486 188 L N 0.678 121.936 121.223 0.057 0.000 1.990 188 L HA -0.160 4.177 4.340 -0.005 0.000 0.213 188 L C 2.110 178.881 176.870 -0.165 0.000 1.072 188 L CA 2.090 56.921 54.840 -0.015 0.000 0.755 188 L CB -0.970 41.227 42.059 0.231 0.000 0.889 188 L HN 0.044 nan 8.230 nan 0.000 0.432 189 T N -1.444 113.066 114.554 -0.074 0.000 3.025 189 T HA -0.124 4.223 4.350 -0.005 0.000 0.270 189 T C 1.529 176.176 174.700 -0.089 0.000 1.126 189 T CA 1.594 63.641 62.100 -0.087 0.000 1.105 189 T CB -0.309 68.509 68.868 -0.084 0.000 0.884 189 T HN 0.606 nan 8.240 nan 0.000 0.522 190 T N 0.160 114.654 114.554 -0.099 0.000 2.953 190 T HA 0.149 4.496 4.350 -0.005 0.000 0.247 190 T C 1.283 175.937 174.700 -0.076 0.000 1.029 190 T CA 0.183 62.238 62.100 -0.076 0.000 1.144 190 T CB -0.290 68.542 68.868 -0.060 0.000 0.870 190 T HN 0.419 nan 8.240 nan 0.000 0.446 191 F N 0.959 120.679 119.950 -0.384 0.000 2.451 191 F HA 0.093 4.617 4.527 -0.005 0.000 0.299 191 F C -0.359 175.236 175.800 -0.341 0.000 1.101 191 F CA 0.512 58.227 58.000 -0.475 0.000 1.436 191 F CB 0.180 38.589 39.000 -0.986 0.000 1.074 191 F HN 0.093 nan 8.300 nan 0.000 0.553 192 Y N 0.074 120.300 120.300 -0.123 0.000 2.475 192 Y HA 0.319 4.866 4.550 -0.004 0.000 0.343 192 Y C -2.020 173.755 175.900 -0.209 0.000 1.068 192 Y CA -3.533 54.485 58.100 -0.136 0.000 1.307 192 Y CB 0.533 38.975 38.460 -0.030 0.000 1.097 192 Y HN -0.143 nan 8.280 nan 0.000 0.530 193 P HA -0.061 nan 4.420 nan 0.000 0.223 193 P C 1.021 178.208 177.300 -0.189 0.000 1.151 193 P CA 1.209 64.253 63.100 -0.095 0.000 0.787 193 P CB 0.618 32.289 31.700 -0.048 0.000 0.788 194 D N -0.102 120.159 120.400 -0.231 0.000 2.203 194 D HA -0.173 4.464 4.640 -0.005 0.000 0.199 194 D C 1.850 177.637 176.300 -0.856 0.000 0.997 194 D CA 1.070 54.822 54.000 -0.413 0.000 0.863 194 D CB -0.665 39.816 40.800 -0.530 0.000 0.928 194 D HN 0.245 nan 8.370 nan 0.000 0.458 195 L N 0.219 120.895 121.223 -0.913 0.000 2.265 195 L HA -0.097 4.240 4.340 -0.005 0.000 0.215 195 L C 2.289 178.846 176.870 -0.521 0.000 1.117 195 L CA 0.288 54.547 54.840 -0.967 0.000 0.782 195 L CB -0.162 41.483 42.059 -0.690 0.000 0.914 195 L HN 0.034 nan 8.230 nan 0.000 0.441 196 L N -0.924 120.105 121.223 -0.323 0.000 2.622 196 L HA -0.059 4.278 4.340 -0.005 0.000 0.233 196 L C 0.819 177.638 176.870 -0.086 0.000 1.156 196 L CA 0.199 54.940 54.840 -0.164 0.000 0.866 196 L CB -0.310 41.684 42.059 -0.109 0.000 0.980 196 L HN 0.204 nan 8.230 nan 0.000 0.448 197 D N 0.781 121.141 120.400 -0.068 0.000 2.312 197 D HA -0.006 4.631 4.640 -0.005 0.000 0.252 197 D C 0.899 177.277 176.300 0.130 0.000 1.150 197 D CA -0.125 53.934 54.000 0.098 0.000 0.870 197 D CB 1.483 42.442 40.800 0.265 0.000 1.153 197 D HN 0.297 nan 8.370 nan 0.000 0.457 198 E N 2.952 123.212 120.200 0.099 0.000 2.396 198 E HA -0.185 4.163 4.350 -0.005 0.000 0.200 198 E C 1.470 178.134 176.600 0.107 0.000 1.023 198 E CA 0.934 57.384 56.400 0.083 0.000 0.857 198 E CB -0.044 29.688 29.700 0.054 0.000 0.775 198 E HN 0.359 nan 8.360 nan 0.000 0.525 199 R N -0.287 120.310 120.500 0.161 0.000 2.235 199 R HA 0.070 4.408 4.340 -0.005 0.000 0.213 199 R C -0.194 176.129 176.300 0.038 0.000 1.059 199 R CA 0.190 56.366 56.100 0.126 0.000 0.997 199 R CB -0.066 30.364 30.300 0.216 0.000 0.884 199 R HN 0.135 nan 8.270 nan 0.000 0.462 200 F N 1.757 121.667 119.950 -0.067 0.000 2.494 200 F HA 0.108 4.632 4.527 -0.004 0.000 0.351 200 F C 0.346 176.098 175.800 -0.079 0.000 1.205 200 F CA 0.383 58.306 58.000 -0.127 0.000 1.125 200 F CB 0.251 39.112 39.000 -0.232 0.000 1.268 200 F HN -0.127 nan 8.300 nan 0.000 0.593 201 E N 1.266 121.478 120.200 0.019 0.000 2.299 201 E HA 0.700 5.047 4.350 -0.005 0.000 0.265 201 E C -0.990 175.601 176.600 -0.014 0.000 0.911 201 E CA -0.989 55.419 56.400 0.013 0.000 0.789 201 E CB 2.322 32.026 29.700 0.007 0.000 1.246 201 E HN 0.360 nan 8.360 nan 0.000 0.427 202 S N 0.265 115.954 115.700 -0.017 0.000 2.558 202 S HA 0.088 4.555 4.470 -0.005 0.000 0.277 202 S C -1.122 173.474 174.600 -0.006 0.000 1.143 202 S CA -0.679 57.488 58.200 -0.055 0.000 0.865 202 S CB 0.841 63.936 63.200 -0.175 0.000 1.102 202 S HN 0.668 nan 8.310 nan 0.000 0.454 203 D N 1.471 121.910 120.400 0.066 0.000 2.339 203 D HA 0.203 4.840 4.640 -0.005 0.000 0.217 203 D C 0.410 176.866 176.300 0.260 0.000 1.050 203 D CA 0.333 54.422 54.000 0.148 0.000 0.856 203 D CB -0.284 40.612 40.800 0.161 0.000 0.922 203 D HN 0.395 nan 8.370 nan 0.000 0.518 204 F N -1.020 118.964 119.950 0.057 0.000 2.779 204 F HA 0.786 5.311 4.527 -0.004 0.000 0.316 204 F C -1.985 173.870 175.800 0.092 0.000 1.164 204 F CA -1.552 56.488 58.000 0.067 0.000 0.924 204 F CB 1.217 40.236 39.000 0.032 0.000 1.348 204 F HN -0.019 nan 8.300 nan 0.000 0.467 205 A N 1.388 124.357 122.820 0.247 0.000 2.604 205 A HA 0.832 5.149 4.320 -0.005 0.000 0.295 205 A C -1.939 175.837 177.584 0.321 0.000 1.067 205 A CA -0.704 51.424 52.037 0.151 0.000 0.683 205 A CB 1.568 20.656 19.000 0.148 0.000 1.281 205 A HN 0.919 nan 8.150 nan 0.000 0.407 206 I N 2.361 123.095 120.570 0.273 0.000 2.563 206 I HA 0.344 4.511 4.170 -0.005 0.000 0.285 206 I C -1.287 174.962 176.117 0.221 0.000 1.123 206 I CA -0.432 60.971 61.300 0.173 0.000 1.059 206 I CB 1.613 39.646 38.000 0.055 0.000 1.229 206 I HN 0.793 nan 8.210 nan 0.000 0.442 207 Y N 3.673 124.067 120.300 0.157 0.000 2.602 207 Y HA 0.858 5.406 4.550 -0.005 0.000 0.330 207 Y C -0.448 175.571 175.900 0.198 0.000 1.114 207 Y CA -1.463 56.729 58.100 0.152 0.000 1.182 207 Y CB 1.035 39.558 38.460 0.105 0.000 1.305 207 Y HN 0.560 nan 8.280 nan 0.000 0.502 208 H N -0.276 118.898 119.070 0.172 0.000 3.121 208 H HA 0.368 4.921 4.556 -0.005 0.000 0.337 208 H C -1.823 173.524 175.328 0.032 0.000 1.198 208 H CA -0.641 55.441 56.048 0.057 0.000 1.274 208 H CB 1.861 31.612 29.762 -0.017 0.000 1.954 208 H HN 0.898 nan 8.280 nan 0.000 0.531 209 Q N 3.795 123.466 119.800 -0.215 0.000 2.399 209 Q HA 0.520 4.858 4.340 -0.005 0.000 0.276 209 Q C -1.284 174.562 176.000 -0.256 0.000 1.098 209 Q CA -1.052 54.687 55.803 -0.106 0.000 0.827 209 Q CB 1.927 30.617 28.738 -0.080 0.000 1.386 209 Q HN 0.745 nan 8.270 nan 0.000 0.443 210 R N 1.793 122.259 120.500 -0.056 0.000 2.740 210 R HA 0.400 4.737 4.340 -0.005 0.000 0.273 210 R C -1.859 174.457 176.300 0.027 0.000 0.998 210 R CA -0.494 55.625 56.100 0.033 0.000 0.900 210 R CB 1.165 31.601 30.300 0.227 0.000 1.223 210 R HN 0.697 nan 8.270 nan 0.000 0.466 211 Y N 0.480 120.754 120.300 -0.043 0.000 2.654 211 Y HA 0.650 5.197 4.550 -0.004 0.000 0.327 211 Y C -0.703 175.180 175.900 -0.029 0.000 1.122 211 Y CA 0.238 58.311 58.100 -0.044 0.000 1.227 211 Y CB 2.132 40.568 38.460 -0.041 0.000 1.370 211 Y HN 0.952 nan 8.280 nan 0.000 0.528 212 S N -1.808 114.185 115.700 0.488 0.000 2.611 212 S HA 0.172 4.639 4.470 -0.005 0.000 0.270 212 S C -0.539 174.210 174.600 0.249 0.000 1.131 212 S CA -0.413 57.943 58.200 0.259 0.000 0.826 212 S CB 0.616 63.887 63.200 0.118 0.000 1.095 212 S HN 0.783 nan 8.310 nan 0.000 0.461 213 T N -1.044 113.591 114.554 0.134 0.000 3.434 213 T HA 0.353 4.700 4.350 -0.005 0.000 0.249 213 T C 0.165 174.922 174.700 0.094 0.000 1.050 213 T CA -0.057 62.100 62.100 0.094 0.000 0.952 213 T CB -1.456 67.449 68.868 0.062 0.000 1.046 213 T HN 0.607 nan 8.240 nan 0.000 0.590 214 N N -1.221 117.526 118.700 0.079 0.000 2.853 214 N HA 0.387 5.124 4.740 -0.005 0.000 0.258 214 N C -0.331 175.115 175.510 -0.106 0.000 1.444 214 N CA -0.820 52.259 53.050 0.048 0.000 0.837 214 N CB 1.974 40.529 38.487 0.114 0.000 1.489 214 N HN -0.108 nan 8.380 nan 0.000 0.529 215 T N -0.203 114.139 114.554 -0.353 0.000 2.975 215 T HA 0.303 4.651 4.350 -0.005 0.000 0.261 215 T C -0.764 173.533 174.700 -0.671 0.000 0.984 215 T CA 0.052 61.823 62.100 -0.548 0.000 0.911 215 T CB 0.113 68.581 68.868 -0.667 0.000 1.127 215 T HN 0.264 nan 8.240 nan 0.000 0.514 216 F N 3.381 123.327 119.950 -0.007 0.000 2.411 216 F HA 0.458 4.982 4.527 -0.004 0.000 0.350 216 F C -2.407 173.382 175.800 -0.020 0.000 1.114 216 F CA -3.202 54.797 58.000 -0.002 0.000 1.135 216 F CB 0.337 39.344 39.000 0.011 0.000 1.120 216 F HN -0.137 nan 8.300 nan 0.000 0.495 217 P HA 0.221 nan 4.420 nan 0.000 0.295 217 P C -0.426 176.918 177.300 0.072 0.000 1.354 217 P CA -0.470 62.627 63.100 -0.004 0.000 0.814 217 P CB 1.382 33.027 31.700 -0.092 0.000 0.935 218 T N 2.972 117.559 114.554 0.055 0.000 2.767 218 T HA 0.158 4.505 4.350 -0.005 0.000 0.288 218 T C 0.420 175.182 174.700 0.103 0.000 0.963 218 T CA -0.049 62.119 62.100 0.113 0.000 1.019 218 T CB 0.236 69.155 68.868 0.085 0.000 0.923 218 T HN 0.287 nan 8.240 nan 0.000 0.468 219 W N 4.574 125.835 121.300 -0.064 0.000 2.363 219 W HA 0.083 4.739 4.660 -0.005 0.000 0.296 219 W C -0.967 175.556 176.519 0.007 0.000 1.212 219 W CA 0.649 57.948 57.345 -0.078 0.000 1.260 219 W CB -1.678 27.644 29.460 -0.231 0.000 1.131 219 W HN 0.644 nan 8.180 nan 0.000 0.530 220 P HA -0.139 nan 4.420 nan 0.000 0.218 220 P C 1.422 178.622 177.300 -0.167 0.000 1.149 220 P CA 1.483 64.410 63.100 -0.288 0.000 0.817 220 P CB -0.216 31.143 31.700 -0.569 0.000 0.785 221 L N -1.979 119.233 121.223 -0.018 0.000 2.551 221 L HA 0.042 4.379 4.340 -0.005 0.000 0.228 221 L C 1.292 178.138 176.870 -0.040 0.000 1.153 221 L CA -0.375 54.509 54.840 0.074 0.000 0.851 221 L CB -0.901 41.201 42.059 0.071 0.000 0.959 221 L HN -0.077 nan 8.230 nan 0.000 0.451 222 A N 0.165 122.908 122.820 -0.128 0.000 2.429 222 A HA 0.304 4.621 4.320 -0.005 0.000 0.242 222 A C 0.203 177.515 177.584 -0.454 0.000 1.088 222 A CA 0.166 52.062 52.037 -0.236 0.000 0.784 222 A CB 0.372 19.250 19.000 -0.203 0.000 1.038 222 A HN 0.339 nan 8.150 nan 0.000 0.501 223 Q N -0.124 119.351 119.800 -0.541 0.000 2.873 223 Q HA 0.436 4.774 4.340 -0.005 0.000 0.297 223 Q C -2.585 173.209 176.000 -0.343 0.000 1.064 223 Q CA -2.039 53.286 55.803 -0.797 0.000 0.816 223 Q CB 0.620 28.637 28.738 -1.201 0.000 1.481 223 Q HN 0.449 nan 8.270 nan 0.000 0.488 224 P HA -0.048 nan 4.420 nan 0.000 0.270 224 P C -1.015 176.111 177.300 -0.290 0.000 1.227 224 P CA 0.455 63.423 63.100 -0.220 0.000 0.788 224 P CB 0.383 32.138 31.700 0.091 0.000 0.926 225 F N 0.165 120.115 119.950 -0.000 0.000 2.456 225 F HA 0.402 4.926 4.527 -0.004 0.000 0.364 225 F C 2.169 177.985 175.800 0.027 0.000 1.092 225 F CA -0.353 57.654 58.000 0.012 0.000 1.125 225 F CB -0.099 38.891 39.000 -0.016 0.000 1.543 225 F HN 0.153 nan 8.300 nan 0.000 0.504 226 R N -0.339 120.305 120.500 0.242 0.000 2.091 226 R HA -0.072 4.265 4.340 -0.005 0.000 0.238 226 R C 1.381 177.744 176.300 0.104 0.000 1.136 226 R CA 1.879 58.035 56.100 0.094 0.000 0.959 226 R CB -0.163 30.151 30.300 0.022 0.000 0.856 226 R HN 0.487 nan 8.270 nan 0.000 0.437 227 M N -1.051 118.565 119.600 0.027 0.000 2.279 227 M HA 0.247 4.724 4.480 -0.005 0.000 0.306 227 M C -0.675 175.466 176.300 -0.266 0.000 0.965 227 M CA -0.124 55.128 55.300 -0.080 0.000 1.038 227 M CB 0.924 33.458 32.600 -0.109 0.000 1.636 227 M HN -0.006 nan 8.290 nan 0.000 0.574 228 L N 0.233 121.349 121.223 -0.178 0.000 2.376 228 L HA 0.896 5.234 4.340 -0.005 0.000 0.258 228 L C -1.377 175.469 176.870 -0.040 0.000 1.013 228 L CA -0.533 54.174 54.840 -0.221 0.000 0.822 228 L CB 2.276 44.201 42.059 -0.223 0.000 1.388 228 L HN 0.068 nan 8.230 nan 0.000 0.413 229 A N 1.192 123.988 122.820 -0.039 0.000 2.486 229 A HA 0.661 4.978 4.320 -0.005 0.000 0.300 229 A C -1.764 175.919 177.584 0.166 0.000 1.048 229 A CA -0.419 51.635 52.037 0.028 0.000 0.696 229 A CB 1.168 20.182 19.000 0.023 0.000 1.278 229 A HN 0.836 nan 8.150 nan 0.000 0.405 230 H N 2.568 121.706 119.070 0.114 0.000 2.840 230 H HA 0.359 4.913 4.556 -0.004 0.000 0.340 230 H C -1.306 174.162 175.328 0.232 0.000 1.004 230 H CA -0.489 55.646 56.048 0.145 0.000 1.288 230 H CB 1.121 30.962 29.762 0.131 0.000 1.607 230 H HN 0.784 nan 8.280 nan 0.000 0.522 231 N N 4.037 122.808 118.700 0.117 0.000 2.422 231 N HA 0.454 5.191 4.740 -0.005 0.000 0.266 231 N C -0.350 175.015 175.510 -0.242 0.000 1.007 231 N CA 0.504 53.503 53.050 -0.086 0.000 0.941 231 N CB 1.400 39.871 38.487 -0.027 0.000 1.115 231 N HN 0.975 nan 8.380 nan 0.000 0.492 232 G N 2.018 110.573 108.800 -0.408 0.000 2.320 232 G HA2 0.063 4.020 3.960 -0.005 0.000 0.274 232 G HA3 0.063 4.020 3.960 -0.005 0.000 0.274 232 G C -1.898 172.846 174.900 -0.260 0.000 1.324 232 G CA -0.662 44.274 45.100 -0.272 0.000 0.957 232 G HN 0.593 nan 8.290 nan 0.000 0.481 233 E N -1.313 118.905 120.200 0.031 0.000 2.390 233 E HA 0.695 5.042 4.350 -0.005 0.000 0.277 233 E C -1.113 175.625 176.600 0.229 0.000 0.939 233 E CA -0.694 55.774 56.400 0.113 0.000 0.769 233 E CB 1.909 31.639 29.700 0.049 0.000 1.251 233 E HN 0.533 nan 8.360 nan 0.000 0.450 234 I N 4.675 125.381 120.570 0.228 0.000 2.388 234 I HA 0.193 4.360 4.170 -0.005 0.000 0.281 234 I C 0.997 177.163 176.117 0.083 0.000 1.046 234 I CA -0.239 61.174 61.300 0.189 0.000 1.187 234 I CB 0.604 38.755 38.000 0.252 0.000 1.351 234 I HN 0.619 nan 8.210 nan 0.000 0.472 235 N N 2.166 120.897 118.700 0.052 0.000 2.453 235 N HA -0.149 4.588 4.740 -0.005 0.000 0.183 235 N C 1.163 176.658 175.510 -0.025 0.000 1.041 235 N CA 0.617 53.672 53.050 0.010 0.000 0.900 235 N CB 0.096 38.590 38.487 0.011 0.000 0.961 235 N HN 0.381 nan 8.380 nan 0.000 0.443 236 T N 0.171 114.700 114.554 -0.041 0.000 3.273 236 T HA 0.173 4.520 4.350 -0.005 0.000 0.254 236 T C 1.192 175.772 174.700 -0.201 0.000 1.002 236 T CA -0.324 61.718 62.100 -0.097 0.000 0.913 236 T CB -0.080 68.744 68.868 -0.074 0.000 1.056 236 T HN 0.130 nan 8.240 nan 0.000 0.576 237 V N 1.360 121.184 119.914 -0.150 0.000 2.453 237 V HA 0.015 4.133 4.120 -0.005 0.000 0.247 237 V C 2.120 178.099 176.094 -0.193 0.000 1.048 237 V CA 1.636 63.826 62.300 -0.182 0.000 1.049 237 V CB -0.131 31.666 31.823 -0.043 0.000 0.672 237 V HN 0.491 nan 8.190 nan 0.000 0.457 238 K N -0.059 120.249 120.400 -0.154 0.000 2.504 238 K HA 0.051 4.368 4.320 -0.005 0.000 0.195 238 K C 1.795 178.266 176.600 -0.215 0.000 1.036 238 K CA 0.896 57.090 56.287 -0.155 0.000 0.984 238 K CB -0.173 32.249 32.500 -0.130 0.000 0.788 238 K HN 0.579 nan 8.250 nan 0.000 0.488 239 G N 0.789 109.448 108.800 -0.236 0.000 2.656 239 G HA2 -0.112 3.846 3.960 -0.005 0.000 0.211 239 G HA3 -0.112 3.846 3.960 -0.005 0.000 0.211 239 G C 1.253 176.031 174.900 -0.203 0.000 1.137 239 G CA -0.107 44.840 45.100 -0.256 0.000 0.802 239 G HN 0.122 nan 8.290 nan 0.000 0.527 240 N N 0.785 119.297 118.700 -0.313 0.000 2.106 240 N HA -0.079 4.658 4.740 -0.005 0.000 0.188 240 N C 2.327 177.732 175.510 -0.175 0.000 1.029 240 N CA 0.824 53.577 53.050 -0.494 0.000 0.848 240 N CB -0.524 37.049 38.487 -1.523 0.000 1.007 240 N HN 0.096 nan 8.380 nan 0.000 0.423 241 V N 2.417 122.227 119.914 -0.174 0.000 2.295 241 V HA -0.205 3.912 4.120 -0.005 0.000 0.246 241 V C 1.647 177.708 176.094 -0.056 0.000 1.049 241 V CA 1.567 63.847 62.300 -0.033 0.000 1.024 241 V CB -0.476 31.328 31.823 -0.032 0.000 0.648 241 V HN 0.450 nan 8.190 nan 0.000 0.447 242 N N -1.730 116.855 118.700 -0.192 0.000 2.354 242 N HA -0.160 4.577 4.740 -0.005 0.000 0.179 242 N C 1.652 177.009 175.510 -0.256 0.000 1.021 242 N CA 1.098 53.992 53.050 -0.259 0.000 0.887 242 N CB -0.204 38.062 38.487 -0.368 0.000 0.974 242 N HN 0.565 nan 8.380 nan 0.000 0.437 243 W N 0.963 122.239 121.300 -0.040 0.000 2.611 243 W HA 0.008 4.666 4.660 -0.005 0.000 0.251 243 W C 2.227 178.757 176.519 0.018 0.000 1.265 243 W CA -0.082 57.223 57.345 -0.067 0.000 1.295 243 W CB 0.061 29.502 29.460 -0.031 0.000 1.129 243 W HN 0.067 nan 8.180 nan 0.000 0.630 244 M N 0.590 120.357 119.600 0.278 0.000 2.325 244 M HA -0.031 4.446 4.480 -0.005 0.000 0.265 244 M C 1.828 178.224 176.300 0.160 0.000 1.094 244 M CA 1.612 57.085 55.300 0.288 0.000 1.161 244 M CB -0.612 32.147 32.600 0.264 0.000 1.358 244 M HN -0.221 nan 8.290 nan 0.000 0.446 245 K N -0.367 120.070 120.400 0.062 0.000 2.293 245 K HA -0.174 4.143 4.320 -0.005 0.000 0.204 245 K C 1.637 178.244 176.600 0.011 0.000 1.045 245 K CA 1.395 57.686 56.287 0.007 0.000 0.933 245 K CB -0.331 32.131 32.500 -0.064 0.000 0.736 245 K HN 0.443 nan 8.250 nan 0.000 0.463 246 A N -0.142 122.702 122.820 0.040 0.000 1.984 246 A HA 0.025 4.342 4.320 -0.005 0.000 0.203 246 A C 1.550 179.160 177.584 0.043 0.000 1.292 246 A CA 0.185 52.223 52.037 0.002 0.000 0.782 246 A CB -0.442 18.564 19.000 0.011 0.000 0.924 246 A HN 0.231 nan 8.150 nan 0.000 0.475 247 H N -0.001 119.130 119.070 0.101 0.000 2.431 247 H HA -0.178 4.376 4.556 -0.005 0.000 0.297 247 H C 2.050 177.404 175.328 0.044 0.000 1.115 247 H CA 1.757 57.848 56.048 0.072 0.000 1.277 247 H CB 0.229 30.064 29.762 0.122 0.000 1.372 247 H HN 0.621 nan 8.280 nan 0.000 0.516 248 E N -0.534 119.769 120.200 0.172 0.000 2.028 248 E HA -0.138 4.209 4.350 -0.005 0.000 0.190 248 E C 2.152 178.795 176.600 0.071 0.000 0.984 248 E CA 1.107 57.570 56.400 0.105 0.000 0.800 248 E CB -0.068 29.679 29.700 0.080 0.000 0.758 248 E HN 0.230 nan 8.360 nan 0.000 0.448 249 T N 0.117 114.695 114.554 0.040 0.000 2.950 249 T HA -0.207 4.141 4.350 -0.005 0.000 0.264 249 T C 1.201 175.921 174.700 0.032 0.000 1.133 249 T CA 1.218 63.329 62.100 0.018 0.000 1.127 249 T CB -0.007 68.834 68.868 -0.045 0.000 0.792 249 T HN 0.021 nan 8.240 nan 0.000 0.570 250 R N -0.516 120.012 120.500 0.047 0.000 2.539 250 R HA 0.221 4.559 4.340 -0.005 0.000 0.342 250 R C 0.255 176.611 176.300 0.094 0.000 0.941 250 R CA -0.045 56.095 56.100 0.067 0.000 1.146 250 R CB 0.010 30.333 30.300 0.039 0.000 1.541 250 R HN 0.520 nan 8.270 nan 0.000 0.525 251 M N 0.702 120.363 119.600 0.103 0.000 2.217 251 M HA 0.420 4.897 4.480 -0.005 0.000 0.352 251 M C -0.600 175.792 176.300 0.154 0.000 1.376 251 M CA 0.548 55.925 55.300 0.128 0.000 1.107 251 M CB 0.919 33.593 32.600 0.123 0.000 1.723 251 M HN -0.271 nan 8.290 nan 0.000 0.461 252 E N 2.049 122.361 120.200 0.187 0.000 2.349 252 E HA 0.346 4.694 4.350 -0.005 0.000 0.290 252 E C -1.882 174.868 176.600 0.249 0.000 0.901 252 E CA -0.334 56.189 56.400 0.205 0.000 0.800 252 E CB 1.261 31.040 29.700 0.131 0.000 1.303 252 E HN 0.755 nan 8.360 nan 0.000 0.397 253 H N 4.302 123.502 119.070 0.216 0.000 2.710 253 H HA 0.458 5.011 4.556 -0.005 0.000 0.361 253 H C -1.915 173.427 175.328 0.023 0.000 1.175 253 H CA -2.222 53.874 56.048 0.080 0.000 1.206 253 H CB 2.112 31.855 29.762 -0.031 0.000 1.750 253 H HN 0.384 nan 8.280 nan 0.000 0.553 254 P HA -0.075 nan 4.420 nan 0.000 0.212 254 P C 1.229 178.521 177.300 -0.013 0.000 1.179 254 P CA 1.696 64.703 63.100 -0.155 0.000 0.898 254 P CB -0.104 31.416 31.700 -0.300 0.000 0.775 255 A N 0.286 123.135 122.820 0.048 0.000 2.030 255 A HA -0.242 4.076 4.320 -0.005 0.000 0.226 255 A C 1.883 179.372 177.584 -0.158 0.000 1.282 255 A CA 2.360 54.347 52.037 -0.083 0.000 0.691 255 A CB -2.090 16.776 19.000 -0.223 0.000 0.829 255 A HN 0.225 nan 8.150 nan 0.000 0.497 256 F N -0.345 119.755 119.950 0.249 0.000 2.811 256 F HA 0.357 4.882 4.527 -0.005 0.000 0.301 256 F C 2.024 177.957 175.800 0.222 0.000 1.151 256 F CA 0.068 58.209 58.000 0.234 0.000 1.412 256 F CB -1.176 37.951 39.000 0.211 0.000 1.113 256 F HN 0.518 nan 8.300 nan 0.000 0.579 257 G N 1.122 110.057 108.800 0.225 0.000 2.651 257 G HA2 -0.427 3.530 3.960 -0.005 0.000 0.315 257 G HA3 -0.427 3.530 3.960 -0.005 0.000 0.315 257 G C 1.218 176.197 174.900 0.131 0.000 1.258 257 G CA 1.114 46.299 45.100 0.142 0.000 1.002 257 G HN 0.334 nan 8.290 nan 0.000 0.551 258 T N -2.321 112.249 114.554 0.028 0.000 3.100 258 T HA 0.184 4.531 4.350 -0.005 0.000 0.253 258 T C 1.646 176.326 174.700 -0.033 0.000 1.118 258 T CA 1.645 63.723 62.100 -0.036 0.000 1.058 258 T CB -0.067 68.714 68.868 -0.144 0.000 0.953 258 T HN 0.666 nan 8.240 nan 0.000 0.515 259 H N 0.149 119.312 119.070 0.154 0.000 2.524 259 H HA 0.239 4.792 4.556 -0.005 0.000 0.282 259 H C 2.153 177.535 175.328 0.091 0.000 1.016 259 H CA 0.741 56.874 56.048 0.141 0.000 1.270 259 H CB -0.183 29.700 29.762 0.201 0.000 1.394 259 H HN 0.181 nan 8.280 nan 0.000 0.568 260 M N 0.536 120.274 119.600 0.231 0.000 2.151 260 M HA -0.325 4.152 4.480 -0.005 0.000 0.256 260 M C 2.054 178.387 176.300 0.055 0.000 1.072 260 M CA 1.829 57.204 55.300 0.124 0.000 1.090 260 M CB -0.006 32.696 32.600 0.169 0.000 1.294 260 M HN 0.129 nan 8.290 nan 0.000 0.415 261 Q N 0.272 120.110 119.800 0.065 0.000 2.308 261 Q HA -0.193 4.144 4.340 -0.005 0.000 0.209 261 Q C 1.397 177.411 176.000 0.022 0.000 0.985 261 Q CA 1.773 57.599 55.803 0.038 0.000 0.881 261 Q CB -0.323 28.437 28.738 0.036 0.000 0.917 261 Q HN 0.592 nan 8.270 nan 0.000 0.443 262 D N -1.045 119.377 120.400 0.037 0.000 2.234 262 D HA -0.087 4.550 4.640 -0.005 0.000 0.205 262 D C 1.370 177.633 176.300 -0.063 0.000 0.962 262 D CA 0.317 54.322 54.000 0.008 0.000 0.855 262 D CB 0.079 40.905 40.800 0.045 0.000 0.951 262 D HN 0.178 nan 8.370 nan 0.000 0.500 263 L N 0.858 122.026 121.223 -0.091 0.000 2.081 263 L HA -0.145 4.192 4.340 -0.005 0.000 0.212 263 L C 0.830 177.642 176.870 -0.097 0.000 1.080 263 L CA 1.662 56.401 54.840 -0.169 0.000 0.754 263 L CB -0.425 41.484 42.059 -0.250 0.000 0.893 263 L HN -0.049 nan 8.230 nan 0.000 0.433 264 K N -0.424 119.949 120.400 -0.044 0.000 2.110 264 K HA 0.396 4.713 4.320 -0.005 0.000 0.263 264 K C -2.216 174.380 176.600 -0.006 0.000 0.975 264 K CA -1.981 54.298 56.287 -0.013 0.000 0.895 264 K CB 0.229 32.732 32.500 0.004 0.000 1.060 264 K HN -0.166 nan 8.250 nan 0.000 0.448 265 P HA 0.018 nan 4.420 nan 0.000 0.276 265 P C 0.553 177.863 177.300 0.016 0.000 1.253 265 P CA -0.282 62.827 63.100 0.015 0.000 0.766 265 P CB 0.676 32.386 31.700 0.017 0.000 0.845 266 V N 3.848 123.776 119.914 0.023 0.000 2.982 266 V HA -0.148 3.969 4.120 -0.005 0.000 0.265 266 V C 1.085 177.202 176.094 0.038 0.000 1.122 266 V CA 1.408 63.724 62.300 0.026 0.000 1.143 266 V CB -0.866 30.979 31.823 0.036 0.000 0.726 266 V HN 0.505 nan 8.190 nan 0.000 0.507 267 I N 0.527 121.125 120.570 0.048 0.000 2.420 267 I HA 0.467 4.635 4.170 -0.005 0.000 0.282 267 I C 0.839 176.979 176.117 0.039 0.000 1.019 267 I CA -0.290 61.040 61.300 0.050 0.000 1.130 267 I CB 1.169 39.219 38.000 0.084 0.000 1.262 267 I HN 0.143 nan 8.210 nan 0.000 0.454 268 G N 4.682 113.504 108.800 0.036 0.000 2.634 268 G HA2 0.383 4.340 3.960 -0.005 0.000 0.255 268 G HA3 0.383 4.340 3.960 -0.005 0.000 0.255 268 G C 0.116 175.039 174.900 0.040 0.000 1.205 268 G CA -0.385 44.739 45.100 0.041 0.000 0.884 268 G HN 0.517 nan 8.290 nan 0.000 0.549 269 V N -0.432 119.506 119.914 0.040 0.000 2.881 269 V HA 0.640 4.758 4.120 -0.005 0.000 0.303 269 V C 1.320 177.441 176.094 0.044 0.000 1.070 269 V CA 0.731 63.053 62.300 0.036 0.000 1.074 269 V CB 0.810 32.651 31.823 0.030 0.000 1.012 269 V HN 2.382 nan 8.190 nan 0.000 0.482 270 G N 2.821 111.644 108.800 0.038 0.000 2.176 270 G HA2 -0.183 3.774 3.960 -0.005 0.000 0.253 270 G HA3 -0.183 3.774 3.960 -0.005 0.000 0.253 270 G C -0.117 174.807 174.900 0.040 0.000 0.979 270 G CA 0.225 45.349 45.100 0.042 0.000 0.641 270 G HN 1.018 nan 8.290 nan 0.000 0.530 271 L N 1.557 122.798 121.223 0.030 0.000 2.399 271 L HA 0.603 4.940 4.340 -0.005 0.000 0.266 271 L C 1.522 178.410 176.870 0.030 0.000 1.114 271 L CA -0.104 54.742 54.840 0.009 0.000 0.804 271 L CB 1.315 43.353 42.059 -0.033 0.000 1.146 271 L HN 0.404 nan 8.230 nan 0.000 0.451 272 S N -0.228 115.499 115.700 0.046 0.000 2.641 272 S HA 0.039 4.506 4.470 -0.005 0.000 0.261 272 S C 0.850 175.502 174.600 0.087 0.000 1.257 272 S CA -0.139 58.118 58.200 0.095 0.000 0.983 272 S CB 0.846 64.153 63.200 0.178 0.000 0.990 272 S HN 0.742 nan 8.310 nan 0.000 0.572 273 D N 1.079 121.561 120.400 0.138 0.000 2.117 273 D HA -0.118 4.519 4.640 -0.005 0.000 0.198 273 D C 1.900 178.321 176.300 0.202 0.000 0.982 273 D CA 1.676 55.783 54.000 0.178 0.000 0.828 273 D CB -1.165 39.758 40.800 0.204 0.000 0.967 273 D HN 0.533 nan 8.370 nan 0.000 0.464 274 S N 0.718 116.577 115.700 0.265 0.000 2.406 274 S HA 0.061 4.528 4.470 -0.005 0.000 0.228 274 S C 2.280 176.843 174.600 -0.062 0.000 1.020 274 S CA 0.701 59.061 58.200 0.268 0.000 0.965 274 S CB -0.842 62.689 63.200 0.551 0.000 0.798 274 S HN 0.509 nan 8.310 nan 0.000 0.488 275 G N 2.381 110.985 108.800 -0.326 0.000 2.514 275 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.217 275 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.217 275 G C 1.551 176.173 174.900 -0.464 0.000 1.198 275 G CA 1.340 45.803 45.100 -1.061 0.000 0.780 275 G HN 0.561 nan 8.290 nan 0.000 0.565 276 S N 0.418 116.023 115.700 -0.157 0.000 2.400 276 S HA -0.117 4.351 4.470 -0.005 0.000 0.232 276 S C 2.140 176.704 174.600 -0.059 0.000 1.025 276 S CA 1.200 59.391 58.200 -0.014 0.000 0.993 276 S CB -0.253 63.041 63.200 0.157 0.000 0.808 276 S HN 0.283 nan 8.310 nan 0.000 0.478 277 L N 2.233 123.394 121.223 -0.104 0.000 2.056 277 L HA -0.056 4.281 4.340 -0.005 0.000 0.207 277 L C 1.886 178.574 176.870 -0.302 0.000 1.078 277 L CA 1.873 56.484 54.840 -0.382 0.000 0.749 277 L CB -0.779 41.132 42.059 -0.247 0.000 0.901 277 L HN 0.111 nan 8.230 nan 0.000 0.433 278 D N -1.264 119.008 120.400 -0.214 0.000 2.104 278 D HA -0.223 4.414 4.640 -0.005 0.000 0.194 278 D C 1.998 178.239 176.300 -0.099 0.000 0.994 278 D CA 1.866 55.775 54.000 -0.152 0.000 0.830 278 D CB -0.151 40.550 40.800 -0.166 0.000 0.959 278 D HN 0.369 nan 8.370 nan 0.000 0.452 279 T N -0.722 113.755 114.554 -0.128 0.000 2.597 279 T HA -0.184 4.163 4.350 -0.005 0.000 0.267 279 T C 2.002 176.659 174.700 -0.072 0.000 1.053 279 T CA 1.955 64.011 62.100 -0.073 0.000 1.165 279 T CB -0.485 68.343 68.868 -0.066 0.000 0.863 279 T HN 0.000 nan 8.240 nan 0.000 0.427 280 V N 0.663 120.493 119.914 -0.140 0.000 2.270 280 V HA -0.084 4.033 4.120 -0.005 0.000 0.245 280 V C 1.993 177.990 176.094 -0.163 0.000 1.043 280 V CA 1.688 63.885 62.300 -0.170 0.000 1.014 280 V CB -0.822 30.817 31.823 -0.305 0.000 0.645 280 V HN 0.419 nan 8.190 nan 0.000 0.447 281 F N 1.013 120.761 119.950 -0.337 0.000 2.147 281 F HA -0.261 4.264 4.527 -0.004 0.000 0.301 281 F C 2.413 178.084 175.800 -0.215 0.000 1.084 281 F CA 2.309 60.144 58.000 -0.274 0.000 1.268 281 F CB -0.175 38.666 39.000 -0.266 0.000 1.009 281 F HN 0.227 nan 8.300 nan 0.000 0.486 282 E N -0.376 119.851 120.200 0.045 0.000 2.017 282 E HA -0.184 4.163 4.350 -0.005 0.000 0.193 282 E C 2.264 178.732 176.600 -0.219 0.000 0.997 282 E CA 1.749 58.088 56.400 -0.103 0.000 0.804 282 E CB -0.235 29.334 29.700 -0.219 0.000 0.757 282 E HN 0.266 nan 8.360 nan 0.000 0.448 283 V N 1.387 121.207 119.914 -0.157 0.000 2.332 283 V HA -0.331 3.786 4.120 -0.005 0.000 0.248 283 V C 2.438 178.514 176.094 -0.029 0.000 1.055 283 V CA 1.941 64.204 62.300 -0.060 0.000 1.038 283 V CB -0.532 31.285 31.823 -0.010 0.000 0.651 283 V HN 0.370 nan 8.190 nan 0.000 0.450 284 M N -0.551 118.976 119.600 -0.121 0.000 2.159 284 M HA -0.129 4.349 4.480 -0.005 0.000 0.263 284 M C 2.216 178.406 176.300 -0.184 0.000 1.063 284 M CA 1.506 56.711 55.300 -0.158 0.000 1.110 284 M CB -0.558 31.887 32.600 -0.258 0.000 1.374 284 M HN 0.285 nan 8.290 nan 0.000 0.411 285 V N -0.284 119.500 119.914 -0.216 0.000 2.323 285 V HA -0.169 3.948 4.120 -0.005 0.000 0.244 285 V C 2.418 178.443 176.094 -0.115 0.000 1.041 285 V CA 1.386 63.580 62.300 -0.175 0.000 1.025 285 V CB -0.718 31.031 31.823 -0.123 0.000 0.656 285 V HN 0.349 nan 8.190 nan 0.000 0.451 286 R N 0.794 121.228 120.500 -0.109 0.000 2.139 286 R HA -0.097 4.240 4.340 -0.005 0.000 0.243 286 R C 1.996 178.296 176.300 -0.001 0.000 1.145 286 R CA 1.535 57.620 56.100 -0.024 0.000 0.976 286 R CB -1.181 29.093 30.300 -0.044 0.000 0.866 286 R HN 0.549 nan 8.270 nan 0.000 0.449 287 A N -1.699 121.093 122.820 -0.046 0.000 2.251 287 A HA 0.368 4.685 4.320 -0.005 0.000 0.209 287 A C 1.271 178.577 177.584 -0.464 0.000 1.187 287 A CA 0.959 52.744 52.037 -0.419 0.000 0.823 287 A CB 0.120 18.843 19.000 -0.461 0.000 0.846 287 A HN 0.405 nan 8.150 nan 0.000 0.486 288 G N -1.157 107.511 108.800 -0.219 0.000 2.624 288 G HA2 -0.108 3.849 3.960 -0.005 0.000 0.190 288 G HA3 -0.108 3.849 3.960 -0.005 0.000 0.190 288 G C 0.315 175.164 174.900 -0.085 0.000 1.008 288 G CA -0.433 44.584 45.100 -0.138 0.000 0.731 288 G HN 0.392 nan 8.290 nan 0.000 0.478 289 R N 1.510 121.941 120.500 -0.116 0.000 2.349 289 R HA 0.544 4.881 4.340 -0.005 0.000 0.299 289 R C 0.306 176.513 176.300 -0.155 0.000 1.027 289 R CA -0.173 55.856 56.100 -0.119 0.000 0.958 289 R CB 0.862 31.079 30.300 -0.138 0.000 1.047 289 R HN 0.133 nan 8.270 nan 0.000 0.468 290 T N 1.728 116.189 114.554 -0.155 0.000 2.848 290 T HA -0.125 4.222 4.350 -0.005 0.000 0.340 290 T C 1.535 176.052 174.700 -0.304 0.000 1.091 290 T CA 0.632 62.593 62.100 -0.232 0.000 1.123 290 T CB 0.698 69.341 68.868 -0.374 0.000 1.042 290 T HN 0.765 nan 8.240 nan 0.000 0.544 291 A N 4.709 127.369 122.820 -0.266 0.000 1.855 291 A HA 0.023 4.340 4.320 -0.005 0.000 0.215 291 A C -0.150 177.281 177.584 -0.256 0.000 1.191 291 A CA 1.095 53.048 52.037 -0.141 0.000 0.613 291 A CB -1.687 17.353 19.000 0.067 0.000 0.829 291 A HN 0.631 nan 8.150 nan 0.000 0.442 292 P HA -0.214 nan 4.420 nan 0.000 0.214 292 P C 1.752 178.844 177.300 -0.347 0.000 1.163 292 P CA 1.384 64.234 63.100 -0.416 0.000 0.889 292 P CB -0.252 31.047 31.700 -0.668 0.000 0.790 293 M N -1.011 118.371 119.600 -0.363 0.000 2.106 293 M HA -0.134 4.343 4.480 -0.005 0.000 0.259 293 M C 1.952 178.081 176.300 -0.285 0.000 1.068 293 M CA 1.709 56.845 55.300 -0.274 0.000 1.100 293 M CB -1.305 31.172 32.600 -0.206 0.000 1.351 293 M HN -0.161 nan 8.290 nan 0.000 0.404 294 V N -0.310 119.369 119.914 -0.391 0.000 2.515 294 V HA -0.225 3.892 4.120 -0.005 0.000 0.250 294 V C 2.472 178.337 176.094 -0.383 0.000 1.058 294 V CA 1.296 63.282 62.300 -0.523 0.000 1.064 294 V CB -0.849 30.372 31.823 -1.003 0.000 0.675 294 V HN 0.428 nan 8.190 nan 0.000 0.461 295 K N 0.196 120.462 120.400 -0.224 0.000 2.020 295 K HA -0.202 4.116 4.320 -0.005 0.000 0.212 295 K C 2.201 178.741 176.600 -0.101 0.000 1.050 295 K CA 2.015 58.267 56.287 -0.058 0.000 0.929 295 K CB -0.293 32.193 32.500 -0.024 0.000 0.714 295 K HN 0.371 nan 8.250 nan 0.000 0.443 296 M N 0.358 119.873 119.600 -0.142 0.000 2.084 296 M HA -0.231 4.246 4.480 -0.005 0.000 0.259 296 M C 2.452 178.680 176.300 -0.121 0.000 1.072 296 M CA 1.731 56.952 55.300 -0.131 0.000 1.107 296 M CB -0.682 31.815 32.600 -0.171 0.000 1.299 296 M HN 0.185 nan 8.290 nan 0.000 0.413 297 M N 0.208 119.718 119.600 -0.152 0.000 2.103 297 M HA -0.244 4.233 4.480 -0.005 0.000 0.255 297 M C 1.998 178.248 176.300 -0.084 0.000 1.074 297 M CA 1.840 57.060 55.300 -0.133 0.000 1.090 297 M CB -1.056 31.449 32.600 -0.159 0.000 1.325 297 M HN 0.335 nan 8.290 nan 0.000 0.403 298 L N -1.432 119.730 121.223 -0.101 0.000 2.554 298 L HA 0.138 4.475 4.340 -0.005 0.000 0.225 298 L C 0.521 177.451 176.870 0.100 0.000 1.104 298 L CA -0.178 54.652 54.840 -0.017 0.000 0.866 298 L CB 0.416 42.318 42.059 -0.261 0.000 1.047 298 L HN -0.016 nan 8.230 nan 0.000 0.468 299 V N 1.053 120.989 119.914 0.036 0.000 2.811 299 V HA 0.263 4.380 4.120 -0.005 0.000 0.266 299 V C -2.464 173.640 176.094 0.016 0.000 0.872 299 V CA -0.941 61.395 62.300 0.059 0.000 0.992 299 V CB 1.439 33.291 31.823 0.048 0.000 1.016 299 V HN -0.028 nan 8.190 nan 0.000 0.496 300 P HA 0.320 nan 4.420 nan 0.000 0.276 300 P C -0.637 176.662 177.300 -0.002 0.000 1.261 300 P CA -0.366 62.722 63.100 -0.019 0.000 0.800 300 P CB 0.628 32.312 31.700 -0.026 0.000 1.066 301 Q N 0.333 120.129 119.800 -0.006 0.000 2.249 301 Q HA 0.637 4.974 4.340 -0.005 0.000 0.226 301 Q C -0.593 175.416 176.000 0.015 0.000 0.983 301 Q CA -1.134 54.676 55.803 0.013 0.000 0.930 301 Q CB 0.576 29.326 28.738 0.021 0.000 1.193 301 Q HN 0.414 nan 8.270 nan 0.000 0.508 302 A N 1.537 124.371 122.820 0.023 0.000 2.440 302 A HA 0.224 4.541 4.320 -0.005 0.000 0.251 302 A C -0.126 177.470 177.584 0.019 0.000 1.089 302 A CA -0.587 51.462 52.037 0.019 0.000 0.779 302 A CB 0.164 19.176 19.000 0.021 0.000 1.022 302 A HN 0.686 nan 8.150 nan 0.000 0.492 303 L N 3.347 124.577 121.223 0.012 0.000 2.873 303 L HA 0.203 4.540 4.340 -0.005 0.000 0.236 303 L C 0.564 177.440 176.870 0.009 0.000 1.375 303 L CA 0.366 55.214 54.840 0.013 0.000 1.239 303 L CB -1.171 40.893 42.059 0.009 0.000 1.603 303 L HN 0.637 nan 8.230 nan 0.000 0.430 304 T N -0.358 114.203 114.554 0.010 0.000 2.908 304 T HA -0.081 4.267 4.350 -0.005 0.000 0.301 304 T C 1.350 176.047 174.700 -0.005 0.000 1.019 304 T CA 0.717 62.818 62.100 0.002 0.000 1.152 304 T CB 0.954 69.823 68.868 0.002 0.000 0.966 304 T HN 0.477 nan 8.240 nan 0.000 0.540 305 S N 2.702 118.397 115.700 -0.008 0.000 2.607 305 S HA 0.032 4.499 4.470 -0.005 0.000 0.224 305 S C 1.002 175.587 174.600 -0.026 0.000 0.969 305 S CA -0.319 57.875 58.200 -0.010 0.000 0.927 305 S CB -0.157 63.041 63.200 -0.003 0.000 0.772 305 S HN 0.672 nan 8.310 nan 0.000 0.533 306 S N 2.207 117.883 115.700 -0.040 0.000 2.573 306 S HA 0.009 4.476 4.470 -0.005 0.000 0.277 306 S C 0.883 175.430 174.600 -0.089 0.000 1.346 306 S CA -0.307 57.851 58.200 -0.070 0.000 1.034 306 S CB 0.753 63.894 63.200 -0.097 0.000 0.879 306 S HN 0.711 nan 8.310 nan 0.000 0.528 307 Q N 0.663 120.397 119.800 -0.110 0.000 2.292 307 Q HA 0.114 4.451 4.340 -0.005 0.000 0.247 307 Q C 0.534 176.444 176.000 -0.151 0.000 0.911 307 Q CA 0.198 55.937 55.803 -0.106 0.000 0.948 307 Q CB -0.528 28.159 28.738 -0.084 0.000 1.093 307 Q HN 0.502 nan 8.270 nan 0.000 0.428 308 T N 0.238 114.682 114.554 -0.184 0.000 3.067 308 T HA 0.013 4.360 4.350 -0.005 0.000 0.261 308 T C 0.229 174.879 174.700 -0.083 0.000 1.110 308 T CA 0.653 62.643 62.100 -0.184 0.000 1.113 308 T CB 0.211 68.939 68.868 -0.233 0.000 0.917 308 T HN 0.382 nan 8.240 nan 0.000 0.499 309 T N 3.959 118.466 114.554 -0.079 0.000 2.744 309 T HA 0.404 4.751 4.350 -0.005 0.000 0.291 309 T C -2.428 172.189 174.700 -0.139 0.000 0.957 309 T CA -1.294 60.754 62.100 -0.086 0.000 1.002 309 T CB 1.564 70.412 68.868 -0.033 0.000 0.919 309 T HN 0.042 nan 8.240 nan 0.000 0.468 310 P HA 0.175 nan 4.420 nan 0.000 0.271 310 P C 0.097 177.304 177.300 -0.155 0.000 1.238 310 P CA -0.242 62.705 63.100 -0.255 0.000 0.794 310 P CB 0.594 32.002 31.700 -0.486 0.000 0.959 311 D N -0.742 119.614 120.400 -0.073 0.000 2.194 311 D HA -0.122 4.515 4.640 -0.005 0.000 0.204 311 D C 1.522 177.849 176.300 0.046 0.000 0.964 311 D CA 0.815 54.810 54.000 -0.007 0.000 0.846 311 D CB -0.314 40.489 40.800 0.005 0.000 0.962 311 D HN 0.371 nan 8.370 nan 0.000 0.490 312 N N 1.253 119.996 118.700 0.071 0.000 2.007 312 N HA -0.248 4.489 4.740 -0.005 0.000 0.197 312 N C 1.533 177.165 175.510 0.203 0.000 1.050 312 N CA 1.503 54.650 53.050 0.162 0.000 0.856 312 N CB -1.226 37.392 38.487 0.218 0.000 1.050 312 N HN 0.474 nan 8.380 nan 0.000 0.423 313 H N 0.666 119.736 119.070 -0.000 0.000 2.357 313 H HA -0.071 4.482 4.556 -0.005 0.000 0.296 313 H C 2.021 177.322 175.328 -0.044 0.000 1.108 313 H CA 1.331 57.357 56.048 -0.037 0.000 1.273 313 H CB -0.022 29.728 29.762 -0.020 0.000 1.367 313 H HN 0.320 nan 8.280 nan 0.000 0.498 314 K N 0.578 121.046 120.400 0.112 0.000 2.103 314 K HA -0.132 4.186 4.320 -0.005 0.000 0.207 314 K C 2.567 179.205 176.600 0.063 0.000 1.048 314 K CA 0.882 57.207 56.287 0.065 0.000 0.930 314 K CB -0.069 32.460 32.500 0.047 0.000 0.716 314 K HN 0.225 nan 8.250 nan 0.000 0.444 315 A N 1.352 124.223 122.820 0.085 0.000 1.845 315 A HA -0.189 4.128 4.320 -0.005 0.000 0.215 315 A C 2.034 179.661 177.584 0.072 0.000 1.195 315 A CA 1.356 53.471 52.037 0.131 0.000 0.616 315 A CB -0.715 18.404 19.000 0.198 0.000 0.832 315 A HN 0.265 nan 8.150 nan 0.000 0.443 316 L N 0.539 121.689 121.223 -0.123 0.000 2.012 316 L HA -0.159 4.178 4.340 -0.005 0.000 0.210 316 L C 2.284 179.017 176.870 -0.228 0.000 1.073 316 L CA 1.868 56.403 54.840 -0.508 0.000 0.748 316 L CB -0.817 40.798 42.059 -0.740 0.000 0.891 316 L HN 0.488 nan 8.230 nan 0.000 0.431 317 I N -0.873 119.626 120.570 -0.118 0.000 2.163 317 I HA -0.367 3.800 4.170 -0.005 0.000 0.243 317 I C 2.577 178.679 176.117 -0.025 0.000 1.085 317 I CA 1.573 62.832 61.300 -0.068 0.000 1.347 317 I CB -0.667 37.319 38.000 -0.024 0.000 1.044 317 I HN 0.442 nan 8.210 nan 0.000 0.408 318 Q N -0.099 119.717 119.800 0.026 0.000 2.096 318 Q HA -0.268 4.069 4.340 -0.005 0.000 0.204 318 Q C 2.226 178.285 176.000 0.097 0.000 0.982 318 Q CA 2.087 57.930 55.803 0.067 0.000 0.850 318 Q CB -0.331 28.478 28.738 0.117 0.000 0.901 318 Q HN 0.536 nan 8.270 nan 0.000 0.422 319 Y N 0.570 120.878 120.300 0.013 0.000 2.070 319 Y HA -0.347 4.201 4.550 -0.005 0.000 0.280 319 Y C 2.353 178.252 175.900 -0.000 0.000 1.148 319 Y CA 1.569 59.708 58.100 0.065 0.000 1.125 319 Y CB -0.815 37.667 38.460 0.036 0.000 0.975 319 Y HN 0.157 nan 8.280 nan 0.000 0.492 320 C N 1.440 120.633 119.300 -0.177 0.000 2.367 320 C HA -0.278 4.179 4.460 -0.005 0.000 0.276 320 C C 2.542 177.396 174.990 -0.227 0.000 1.195 320 C CA 1.620 60.473 59.018 -0.275 0.000 1.756 320 C CB -1.567 26.086 27.740 -0.145 0.000 2.046 320 C HN 0.664 nan 8.230 nan 0.000 0.453 321 N N 1.414 120.039 118.700 -0.124 0.000 2.258 321 N HA -0.137 4.600 4.740 -0.005 0.000 0.187 321 N C 1.798 177.246 175.510 -0.103 0.000 1.012 321 N CA 1.896 54.894 53.050 -0.087 0.000 0.870 321 N CB -0.346 38.110 38.487 -0.050 0.000 0.977 321 N HN 0.710 nan 8.380 nan 0.000 0.434 322 S N 0.357 115.980 115.700 -0.129 0.000 2.357 322 S HA -0.013 4.454 4.470 -0.005 0.000 0.221 322 S C 2.308 176.820 174.600 -0.146 0.000 1.031 322 S CA 0.645 58.778 58.200 -0.113 0.000 0.982 322 S CB -0.646 62.519 63.200 -0.058 0.000 0.853 322 S HN 0.014 nan 8.310 nan 0.000 0.458 323 V N 1.027 120.790 119.914 -0.251 0.000 2.283 323 V HA 0.167 4.284 4.120 -0.005 0.000 0.243 323 V C 0.942 176.952 176.094 -0.140 0.000 1.039 323 V CA 1.499 63.672 62.300 -0.211 0.000 1.016 323 V CB -0.494 31.125 31.823 -0.340 0.000 0.650 323 V HN 0.529 nan 8.190 nan 0.000 0.449 324 M N 0.060 119.571 119.600 -0.149 0.000 2.395 324 M HA 0.458 4.935 4.480 -0.005 0.000 0.307 324 M C -1.184 175.110 176.300 -0.010 0.000 1.091 324 M CA -0.498 54.749 55.300 -0.089 0.000 0.919 324 M CB 1.964 34.497 32.600 -0.113 0.000 1.662 324 M HN 0.213 nan 8.290 nan 0.000 0.440 325 E N 5.130 125.359 120.200 0.048 0.000 2.146 325 E HA 0.487 4.834 4.350 -0.005 0.000 0.282 325 E C -2.518 174.122 176.600 0.067 0.000 0.989 325 E CA -1.850 54.548 56.400 -0.004 0.000 0.799 325 E CB 0.115 29.745 29.700 -0.117 0.000 1.088 325 E HN 0.413 nan 8.360 nan 0.000 0.397 326 P HA -0.163 nan 4.420 nan 0.000 0.271 326 P C -1.054 176.283 177.300 0.063 0.000 1.197 326 P CA 0.330 63.513 63.100 0.139 0.000 0.777 326 P CB 0.367 32.114 31.700 0.077 0.000 0.827 327 W N 1.874 123.187 121.300 0.022 0.000 2.347 327 W HA 0.263 4.920 4.660 -0.005 0.000 0.321 327 W C 0.009 176.540 176.519 0.021 0.000 0.971 327 W CA 0.124 57.484 57.345 0.026 0.000 1.508 327 W CB 0.366 29.829 29.460 0.005 0.000 1.299 327 W HN 0.184 nan 8.180 nan 0.000 0.399 328 D N 0.979 121.431 120.400 0.088 0.000 2.277 328 D HA 0.736 5.373 4.640 -0.005 0.000 0.250 328 D C 0.374 176.725 176.300 0.084 0.000 1.032 328 D CA 0.152 54.201 54.000 0.082 0.000 0.947 328 D CB 1.941 42.768 40.800 0.046 0.000 1.159 328 D HN 0.482 nan 8.370 nan 0.000 0.460 329 G N 1.161 110.008 108.800 0.079 0.000 2.347 329 G HA2 0.137 4.094 3.960 -0.005 0.000 0.321 329 G HA3 0.137 4.094 3.960 -0.005 0.000 0.321 329 G C -3.099 171.855 174.900 0.091 0.000 1.412 329 G CA -1.064 44.084 45.100 0.080 0.000 0.990 329 G HN 0.328 nan 8.290 nan 0.000 0.637 330 P HA 0.476 nan 4.420 nan 0.000 0.268 330 P C -0.239 177.172 177.300 0.184 0.000 1.204 330 P CA 0.568 63.704 63.100 0.060 0.000 0.768 330 P CB 1.394 33.105 31.700 0.017 0.000 0.842 331 A N 2.544 125.474 122.820 0.184 0.000 2.541 331 A HA 0.616 4.933 4.320 -0.005 0.000 0.285 331 A C -0.883 176.825 177.584 0.207 0.000 1.058 331 A CA -0.485 51.732 52.037 0.299 0.000 0.886 331 A CB 0.569 19.744 19.000 0.291 0.000 1.411 331 A HN 0.465 nan 8.150 nan 0.000 0.403 332 A N 3.050 125.997 122.820 0.211 0.000 2.274 332 A HA 0.790 5.107 4.320 -0.005 0.000 0.309 332 A C -0.510 177.188 177.584 0.190 0.000 1.226 332 A CA -0.226 51.906 52.037 0.158 0.000 0.853 332 A CB 0.285 19.358 19.000 0.121 0.000 1.146 332 A HN 0.891 nan 8.150 nan 0.000 0.518 333 L N 1.824 123.118 121.223 0.118 0.000 2.381 333 L HA 0.766 5.103 4.340 -0.005 0.000 0.268 333 L C 0.120 176.983 176.870 -0.012 0.000 0.997 333 L CA -0.701 54.176 54.840 0.062 0.000 0.818 333 L CB 2.238 44.286 42.059 -0.019 0.000 1.310 333 L HN 0.768 nan 8.230 nan 0.000 0.416 334 A N 3.970 126.766 122.820 -0.040 0.000 2.343 334 A HA 0.939 5.256 4.320 -0.005 0.000 0.316 334 A C -0.779 176.685 177.584 -0.201 0.000 1.104 334 A CA -0.426 51.538 52.037 -0.122 0.000 0.768 334 A CB 1.597 20.593 19.000 -0.006 0.000 1.213 334 A HN 0.750 nan 8.150 nan 0.000 0.456 335 M N 0.730 120.164 119.600 -0.277 0.000 2.569 335 M HA 0.660 5.137 4.480 -0.005 0.000 0.279 335 M C -0.654 175.481 176.300 -0.274 0.000 1.253 335 M CA -0.200 54.901 55.300 -0.333 0.000 0.867 335 M CB 2.999 35.394 32.600 -0.341 0.000 1.727 335 M HN 0.716 nan 8.290 nan 0.000 0.467 336 T N 0.703 115.105 114.554 -0.254 0.000 3.435 336 T HA 0.388 4.735 4.350 -0.005 0.000 0.344 336 T C -1.816 172.837 174.700 -0.079 0.000 1.211 336 T CA -0.815 61.165 62.100 -0.200 0.000 1.104 336 T CB 0.684 69.292 68.868 -0.432 0.000 1.196 336 T HN 0.818 nan 8.240 nan 0.000 0.471 337 D N 2.774 123.186 120.400 0.020 0.000 2.453 337 D HA 0.400 5.037 4.640 -0.005 0.000 0.282 337 D C 1.587 177.872 176.300 -0.026 0.000 1.222 337 D CA 0.149 54.175 54.000 0.044 0.000 1.079 337 D CB -0.212 40.626 40.800 0.064 0.000 1.128 337 D HN 0.645 nan 8.370 nan 0.000 0.568 338 G N -1.845 106.946 108.800 -0.016 0.000 2.920 338 G HA2 -0.100 3.857 3.960 -0.005 0.000 0.208 338 G HA3 -0.100 3.857 3.960 -0.005 0.000 0.208 338 G C 1.353 176.188 174.900 -0.108 0.000 1.159 338 G CA 0.101 45.161 45.100 -0.067 0.000 0.784 338 G HN 0.446 nan 8.290 nan 0.000 0.535 339 R N -1.654 118.809 120.500 -0.062 0.000 2.257 339 R HA 0.195 4.532 4.340 -0.005 0.000 0.195 339 R C -0.232 175.916 176.300 -0.253 0.000 0.921 339 R CA -0.421 55.598 56.100 -0.135 0.000 1.069 339 R CB 0.354 30.605 30.300 -0.082 0.000 1.115 339 R HN 0.250 nan 8.270 nan 0.000 0.571 340 W N 0.679 121.867 121.300 -0.186 0.000 2.512 340 W HA 0.474 5.131 4.660 -0.005 0.000 0.335 340 W C -0.832 175.536 176.519 -0.251 0.000 1.088 340 W CA -0.528 56.694 57.345 -0.205 0.000 1.236 340 W CB 1.862 31.202 29.460 -0.200 0.000 1.307 340 W HN -0.326 nan 8.180 nan 0.000 0.567 341 V N 3.842 123.739 119.914 -0.027 0.000 2.487 341 V HA 0.586 4.703 4.120 -0.005 0.000 0.298 341 V C -0.562 175.434 176.094 -0.162 0.000 1.028 341 V CA -1.015 61.194 62.300 -0.152 0.000 0.860 341 V CB 1.228 32.967 31.823 -0.140 0.000 0.991 341 V HN 0.303 nan 8.190 nan 0.000 0.427 342 V N 2.810 122.565 119.914 -0.264 0.000 2.735 342 V HA 0.836 4.953 4.120 -0.005 0.000 0.310 342 V C 0.457 176.230 176.094 -0.535 0.000 1.061 342 V CA -0.534 61.576 62.300 -0.317 0.000 0.913 342 V CB 2.220 33.940 31.823 -0.172 0.000 1.005 342 V HN 0.942 nan 8.190 nan 0.000 0.428 343 G N 1.304 109.764 108.800 -0.567 0.000 2.417 343 G HA2 0.695 4.653 3.960 -0.005 0.000 0.320 343 G HA3 0.695 4.653 3.960 -0.005 0.000 0.320 343 G C -0.261 174.565 174.900 -0.124 0.000 1.204 343 G CA -0.226 44.611 45.100 -0.438 0.000 0.923 343 G HN 1.135 nan 8.290 nan 0.000 0.466 344 G N 0.355 109.125 108.800 -0.050 0.000 2.619 344 G HA2 0.614 4.571 3.960 -0.005 0.000 0.296 344 G HA3 0.614 4.571 3.960 -0.005 0.000 0.296 344 G C -1.170 173.755 174.900 0.043 0.000 1.334 344 G CA -0.843 44.255 45.100 -0.003 0.000 0.934 344 G HN 0.716 nan 8.290 nan 0.000 0.476 345 M N 0.904 120.534 119.600 0.049 0.000 2.591 345 M HA 0.458 4.935 4.480 -0.005 0.000 0.306 345 M C -0.226 176.109 176.300 0.059 0.000 1.190 345 M CA -0.865 54.476 55.300 0.068 0.000 0.889 345 M CB 1.881 34.526 32.600 0.075 0.000 1.728 345 M HN 0.750 nan 8.290 nan 0.000 0.458 346 D N 1.605 122.047 120.400 0.069 0.000 2.346 346 D HA 0.139 4.776 4.640 -0.005 0.000 0.249 346 D C 0.565 176.894 176.300 0.049 0.000 1.308 346 D CA 0.105 54.142 54.000 0.061 0.000 0.987 346 D CB 0.437 41.279 40.800 0.070 0.000 1.114 346 D HN 0.732 nan 8.370 nan 0.000 0.529 347 R N -1.229 119.296 120.500 0.042 0.000 2.280 347 R HA 0.102 4.439 4.340 -0.005 0.000 0.207 347 R C 0.236 176.557 176.300 0.034 0.000 1.043 347 R CA 0.586 56.708 56.100 0.036 0.000 1.006 347 R CB -0.441 29.878 30.300 0.032 0.000 0.885 347 R HN 0.199 nan 8.270 nan 0.000 0.467 348 N N 0.346 119.061 118.700 0.026 0.000 2.234 348 N HA 0.148 4.886 4.740 -0.005 0.000 0.227 348 N C -0.132 175.398 175.510 0.033 0.000 1.151 348 N CA 0.526 53.588 53.050 0.020 0.000 0.865 348 N CB 1.403 39.878 38.487 -0.021 0.000 1.066 348 N HN 0.422 nan 8.380 nan 0.000 0.515 349 G N 1.154 109.985 108.800 0.051 0.000 2.395 349 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.300 349 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.300 349 G C 0.668 175.618 174.900 0.083 0.000 0.998 349 G CA 0.227 45.372 45.100 0.075 0.000 1.046 349 G HN 0.412 nan 8.290 nan 0.000 0.513 350 L N -1.317 119.928 121.223 0.037 0.000 2.558 350 L HA 0.241 4.578 4.340 -0.005 0.000 0.225 350 L C 1.412 178.365 176.870 0.139 0.000 1.128 350 L CA 0.402 55.238 54.840 -0.007 0.000 0.868 350 L CB -0.195 41.746 42.059 -0.197 0.000 1.006 350 L HN 0.239 nan 8.230 nan 0.000 0.454 351 R N 0.412 120.991 120.500 0.132 0.000 2.771 351 R HA 0.465 4.802 4.340 -0.005 0.000 0.274 351 R C -2.625 173.735 176.300 0.100 0.000 0.987 351 R CA -1.828 54.351 56.100 0.130 0.000 0.908 351 R CB 1.330 31.689 30.300 0.099 0.000 1.213 351 R HN -0.240 nan 8.270 nan 0.000 0.468 352 P HA 0.313 nan 4.420 nan 0.000 0.278 352 P C -0.864 176.464 177.300 0.046 0.000 1.238 352 P CA -0.452 62.669 63.100 0.035 0.000 0.794 352 P CB 1.166 32.856 31.700 -0.017 0.000 0.955 353 M N 2.362 121.991 119.600 0.048 0.000 2.356 353 M HA 0.276 4.753 4.480 -0.005 0.000 0.215 353 M C -1.343 174.999 176.300 0.070 0.000 0.978 353 M CA -0.202 55.146 55.300 0.081 0.000 0.972 353 M CB 1.199 33.883 32.600 0.139 0.000 2.529 353 M HN 0.121 nan 8.290 nan 0.000 0.447 354 R N 2.912 123.430 120.500 0.029 0.000 2.643 354 R HA 0.777 5.115 4.340 -0.005 0.000 0.272 354 R C -1.420 174.906 176.300 0.042 0.000 0.995 354 R CA -0.415 55.665 56.100 -0.033 0.000 1.032 354 R CB 1.681 31.947 30.300 -0.057 0.000 1.126 354 R HN 0.761 nan 8.270 nan 0.000 0.505 355 Y N -2.921 117.376 120.300 -0.006 0.000 2.581 355 Y HA 0.543 5.090 4.550 -0.005 0.000 0.337 355 Y C -1.280 174.612 175.900 -0.014 0.000 1.108 355 Y CA -1.002 57.082 58.100 -0.027 0.000 1.033 355 Y CB 1.355 39.828 38.460 0.022 0.000 1.318 355 Y HN 0.364 nan 8.280 nan 0.000 0.459 356 T N 4.423 119.168 114.554 0.319 0.000 2.863 356 T HA 0.665 5.013 4.350 -0.005 0.000 0.285 356 T C -0.826 173.993 174.700 0.199 0.000 1.009 356 T CA -0.573 61.654 62.100 0.211 0.000 0.989 356 T CB 1.028 69.944 68.868 0.080 0.000 1.004 356 T HN 0.614 nan 8.240 nan 0.000 0.455 357 I N 3.246 123.918 120.570 0.169 0.000 2.433 357 I HA 0.415 4.582 4.170 -0.005 0.000 0.292 357 I C 0.754 176.912 176.117 0.067 0.000 1.001 357 I CA -0.762 60.599 61.300 0.102 0.000 1.119 357 I CB 2.114 40.176 38.000 0.103 0.000 1.289 357 I HN 0.699 nan 8.210 nan 0.000 0.438 358 T N -0.185 114.397 114.554 0.047 0.000 2.948 358 T HA 0.262 4.609 4.350 -0.005 0.000 0.285 358 T C 1.093 175.809 174.700 0.027 0.000 1.019 358 T CA -0.228 61.892 62.100 0.034 0.000 1.013 358 T CB 1.710 70.595 68.868 0.028 0.000 1.117 358 T HN 0.720 nan 8.240 nan 0.000 0.533 359 T N -1.433 113.133 114.554 0.021 0.000 2.904 359 T HA -0.087 4.261 4.350 -0.005 0.000 0.267 359 T C 1.298 176.007 174.700 0.016 0.000 1.059 359 T CA 1.152 63.263 62.100 0.017 0.000 1.137 359 T CB -0.750 68.126 68.868 0.014 0.000 0.879 359 T HN 0.780 nan 8.240 nan 0.000 0.467 360 D N 1.859 122.268 120.400 0.016 0.000 2.392 360 D HA 0.131 4.768 4.640 -0.005 0.000 0.228 360 D C 1.505 177.816 176.300 0.018 0.000 1.003 360 D CA 0.632 54.641 54.000 0.015 0.000 0.917 360 D CB -1.120 39.688 40.800 0.014 0.000 0.890 360 D HN 0.715 nan 8.370 nan 0.000 0.532 361 G N -0.323 108.489 108.800 0.020 0.000 2.171 361 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.238 361 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.238 361 G C -0.403 174.513 174.900 0.028 0.000 1.039 361 G CA 0.099 45.212 45.100 0.022 0.000 0.759 361 G HN 0.340 nan 8.290 nan 0.000 0.501 362 L N -0.358 120.884 121.223 0.032 0.000 2.313 362 L HA 0.905 5.242 4.340 -0.005 0.000 0.268 362 L C 0.254 177.149 176.870 0.042 0.000 1.010 362 L CA -1.404 53.460 54.840 0.040 0.000 0.814 362 L CB 1.911 43.992 42.059 0.035 0.000 1.304 362 L HN 0.318 nan 8.230 nan 0.000 0.441 363 I N 2.234 122.835 120.570 0.053 0.000 2.468 363 I HA 0.513 4.681 4.170 -0.005 0.000 0.285 363 I C -1.392 174.725 176.117 -0.001 0.000 1.039 363 I CA -0.292 61.033 61.300 0.041 0.000 1.074 363 I CB 1.006 39.037 38.000 0.051 0.000 1.228 363 I HN 0.424 nan 8.210 nan 0.000 0.436 364 I N 7.777 128.317 120.570 -0.050 0.000 2.354 364 I HA 0.516 4.684 4.170 -0.005 0.000 0.286 364 I C 0.567 176.504 176.117 -0.300 0.000 1.007 364 I CA -0.428 60.787 61.300 -0.142 0.000 1.167 364 I CB 1.511 39.488 38.000 -0.038 0.000 1.320 364 I HN 0.615 nan 8.210 nan 0.000 0.458 365 G N 3.504 111.778 108.800 -0.877 0.000 2.389 365 G HA2 0.807 4.764 3.960 -0.005 0.000 0.328 365 G HA3 0.807 4.764 3.960 -0.005 0.000 0.328 365 G C -0.402 174.198 174.900 -0.501 0.000 1.133 365 G CA -0.598 43.886 45.100 -1.026 0.000 0.891 365 G HN 0.813 nan 8.290 nan 0.000 0.485 366 G N -0.910 107.798 108.800 -0.154 0.000 2.606 366 G HA2 0.444 4.401 3.960 -0.005 0.000 0.300 366 G HA3 0.444 4.401 3.960 -0.005 0.000 0.300 366 G C 0.207 175.113 174.900 0.011 0.000 1.360 366 G CA 0.594 45.666 45.100 -0.046 0.000 0.783 366 G HN 0.649 nan 8.290 nan 0.000 0.484 367 S N -1.081 114.629 115.700 0.018 0.000 2.510 367 S HA 0.212 4.679 4.470 -0.005 0.000 0.230 367 S C 0.897 175.495 174.600 -0.002 0.000 1.066 367 S CA 1.005 59.213 58.200 0.014 0.000 0.941 367 S CB -0.173 63.032 63.200 0.008 0.000 0.829 367 S HN 0.652 nan 8.310 nan 0.000 0.530 368 E N -0.500 119.704 120.200 0.005 0.000 2.405 368 E HA 0.396 4.743 4.350 -0.005 0.000 0.249 368 E C 0.115 176.710 176.600 -0.010 0.000 1.028 368 E CA -0.413 55.980 56.400 -0.012 0.000 0.897 368 E CB 0.829 30.525 29.700 -0.005 0.000 1.262 368 E HN 0.035 nan 8.360 nan 0.000 0.442 369 T N -1.516 113.026 114.554 -0.020 0.000 2.969 369 T HA 0.192 4.539 4.350 -0.005 0.000 0.250 369 T C 0.918 175.610 174.700 -0.014 0.000 1.021 369 T CA 0.440 62.527 62.100 -0.021 0.000 1.003 369 T CB -0.176 68.670 68.868 -0.038 0.000 1.040 369 T HN 0.538 nan 8.240 nan 0.000 0.492 370 G N 1.540 110.333 108.800 -0.011 0.000 3.943 370 G HA2 0.355 4.312 3.960 -0.005 0.000 0.275 370 G HA3 0.355 4.312 3.960 -0.005 0.000 0.275 370 G C 0.855 175.743 174.900 -0.019 0.000 1.234 370 G CA -0.393 44.700 45.100 -0.012 0.000 1.522 370 G HN 0.439 nan 8.290 nan 0.000 0.636 371 M N -0.286 119.303 119.600 -0.019 0.000 2.514 371 M HA 0.157 4.635 4.480 -0.005 0.000 0.258 371 M C -0.105 176.169 176.300 -0.042 0.000 1.119 371 M CA 0.766 56.046 55.300 -0.032 0.000 1.111 371 M CB 0.728 33.326 32.600 -0.005 0.000 1.390 371 M HN 0.033 nan 8.290 nan 0.000 0.475 372 V N 1.124 121.020 119.914 -0.030 0.000 2.655 372 V HA 0.199 4.316 4.120 -0.005 0.000 0.301 372 V C -0.269 175.813 176.094 -0.020 0.000 1.082 372 V CA -1.315 60.963 62.300 -0.035 0.000 0.899 372 V CB 2.413 34.214 31.823 -0.036 0.000 1.014 372 V HN 0.137 nan 8.190 nan 0.000 0.429 373 K N 5.282 125.672 120.400 -0.017 0.000 2.489 373 K HA 0.398 4.715 4.320 -0.005 0.000 0.278 373 K C -1.060 175.536 176.600 -0.005 0.000 1.000 373 K CA 0.312 56.594 56.287 -0.008 0.000 1.012 373 K CB 0.353 32.849 32.500 -0.006 0.000 0.903 373 K HN 0.630 nan 8.250 nan 0.000 0.485 374 I N 2.806 123.375 120.570 -0.001 0.000 2.692 374 I HA 0.071 4.238 4.170 -0.005 0.000 0.293 374 I C -0.926 175.194 176.117 0.004 0.000 1.200 374 I CA -1.090 60.212 61.300 0.003 0.000 1.036 374 I CB 2.084 40.088 38.000 0.006 0.000 1.258 374 I HN 0.649 nan 8.210 nan 0.000 0.421 375 D N 4.262 124.665 120.400 0.005 0.000 2.350 375 D HA 0.092 4.729 4.640 -0.005 0.000 0.249 375 D C 1.094 177.398 176.300 0.006 0.000 1.119 375 D CA 0.130 54.133 54.000 0.005 0.000 0.886 375 D CB 1.343 42.146 40.800 0.005 0.000 1.195 375 D HN 0.382 nan 8.370 nan 0.000 0.437 376 E N 1.591 121.794 120.200 0.005 0.000 2.077 376 E HA -0.164 4.183 4.350 -0.005 0.000 0.193 376 E C 1.725 178.329 176.600 0.006 0.000 0.989 376 E CA 0.995 57.398 56.400 0.005 0.000 0.800 376 E CB -0.302 29.400 29.700 0.003 0.000 0.746 376 E HN 0.569 nan 8.360 nan 0.000 0.452 377 T N 1.320 115.877 114.554 0.005 0.000 2.755 377 T HA -0.229 4.119 4.350 -0.005 0.000 0.266 377 T C 1.339 176.043 174.700 0.007 0.000 1.041 377 T CA 1.647 63.750 62.100 0.005 0.000 1.147 377 T CB -0.085 68.786 68.868 0.005 0.000 0.847 377 T HN 0.226 nan 8.240 nan 0.000 0.478 378 Q N -0.057 119.748 119.800 0.009 0.000 2.188 378 Q HA 0.257 4.594 4.340 -0.005 0.000 0.212 378 Q C -0.521 175.489 176.000 0.016 0.000 0.846 378 Q CA -0.262 55.548 55.803 0.011 0.000 0.989 378 Q CB 1.065 29.809 28.738 0.011 0.000 1.114 378 Q HN 0.261 nan 8.270 nan 0.000 0.488 379 V N 2.361 122.284 119.914 0.015 0.000 2.432 379 V HA 0.112 4.229 4.120 -0.005 0.000 0.275 379 V C 1.042 177.150 176.094 0.023 0.000 1.043 379 V CA -0.056 62.257 62.300 0.021 0.000 0.925 379 V CB 0.919 32.752 31.823 0.017 0.000 0.985 379 V HN 0.394 nan 8.190 nan 0.000 0.466 380 I N 1.208 121.798 120.570 0.033 0.000 3.645 380 I HA 0.463 4.631 4.170 -0.005 0.000 0.300 380 I C 0.560 176.701 176.117 0.041 0.000 1.260 380 I CA 0.558 61.878 61.300 0.032 0.000 1.365 380 I CB 0.437 38.457 38.000 0.033 0.000 1.077 380 I HN 0.736 nan 8.210 nan 0.000 0.439 381 E N 1.676 121.911 120.200 0.058 0.000 2.451 381 E HA 0.332 4.680 4.350 -0.005 0.000 0.295 381 E C -1.641 175.003 176.600 0.073 0.000 0.966 381 E CA -0.732 55.710 56.400 0.071 0.000 0.808 381 E CB 1.444 31.218 29.700 0.123 0.000 1.242 381 E HN 0.189 nan 8.360 nan 0.000 0.412 382 K N 2.620 123.016 120.400 -0.006 0.000 2.413 382 K HA 0.586 4.903 4.320 -0.005 0.000 0.257 382 K C -0.298 176.155 176.600 -0.244 0.000 0.946 382 K CA -0.717 55.515 56.287 -0.091 0.000 0.823 382 K CB 2.078 34.530 32.500 -0.079 0.000 1.109 382 K HN 0.551 nan 8.250 nan 0.000 0.427 383 G N 2.005 110.413 108.800 -0.653 0.000 3.251 383 G HA2 0.727 4.684 3.960 -0.005 0.000 0.248 383 G HA3 0.727 4.684 3.960 -0.005 0.000 0.248 383 G C -0.976 173.399 174.900 -0.876 0.000 1.320 383 G CA -0.712 43.880 45.100 -0.846 0.000 0.982 383 G HN 0.639 nan 8.290 nan 0.000 0.575 384 R N -2.055 118.084 120.500 -0.601 0.000 2.728 384 R HA 0.560 4.897 4.340 -0.005 0.000 0.274 384 R C -2.163 174.149 176.300 0.021 0.000 1.030 384 R CA -0.894 55.072 56.100 -0.222 0.000 0.876 384 R CB 0.711 30.934 30.300 -0.128 0.000 1.259 384 R HN 0.389 nan 8.270 nan 0.000 0.468 385 L N 1.236 122.527 121.223 0.113 0.000 2.307 385 L HA 0.639 4.976 4.340 -0.005 0.000 0.284 385 L C 0.620 177.544 176.870 0.090 0.000 1.023 385 L CA 0.027 54.952 54.840 0.141 0.000 0.810 385 L CB 1.286 43.440 42.059 0.159 0.000 1.231 385 L HN 0.969 nan 8.230 nan 0.000 0.423 386 G N 3.340 112.188 108.800 0.079 0.000 2.642 386 G HA2 0.632 4.590 3.960 -0.005 0.000 0.291 386 G HA3 0.632 4.590 3.960 -0.005 0.000 0.291 386 G C -2.756 172.188 174.900 0.074 0.000 1.345 386 G CA -1.389 43.753 45.100 0.070 0.000 1.043 386 G HN 0.406 nan 8.290 nan 0.000 0.528 387 P HA 0.158 nan 4.420 nan 0.000 0.266 387 P C 0.999 178.336 177.300 0.061 0.000 1.195 387 P CA 1.459 64.598 63.100 0.066 0.000 0.768 387 P CB 0.840 32.579 31.700 0.065 0.000 0.838 388 G N 1.452 110.283 108.800 0.052 0.000 2.216 388 G HA2 -0.303 3.654 3.960 -0.005 0.000 0.269 388 G HA3 -0.303 3.654 3.960 -0.005 0.000 0.269 388 G C 0.114 175.038 174.900 0.040 0.000 0.981 388 G CA 0.481 45.606 45.100 0.042 0.000 0.658 388 G HN 0.648 nan 8.290 nan 0.000 0.539 389 E N 0.300 120.533 120.200 0.055 0.000 2.312 389 E HA 0.692 5.039 4.350 -0.005 0.000 0.259 389 E C 0.908 177.534 176.600 0.044 0.000 1.122 389 E CA -0.344 56.089 56.400 0.055 0.000 0.922 389 E CB 0.733 30.482 29.700 0.081 0.000 1.109 389 E HN 0.637 nan 8.360 nan 0.000 0.442 390 M N 0.122 119.742 119.600 0.032 0.000 2.719 390 M HA 0.720 5.197 4.480 -0.005 0.000 0.291 390 M C -1.181 175.137 176.300 0.030 0.000 1.264 390 M CA -1.132 54.174 55.300 0.010 0.000 0.811 390 M CB 2.026 34.599 32.600 -0.044 0.000 1.756 390 M HN 0.646 nan 8.290 nan 0.000 0.464 391 I N 0.728 121.293 120.570 -0.008 0.000 2.752 391 I HA 0.869 5.037 4.170 -0.005 0.000 0.295 391 I C -1.995 174.092 176.117 -0.050 0.000 1.219 391 I CA -0.297 60.999 61.300 -0.006 0.000 1.030 391 I CB 2.159 40.134 38.000 -0.042 0.000 1.259 391 I HN 1.067 nan 8.210 nan 0.000 0.423 392 A N 5.825 128.660 122.820 0.025 0.000 2.594 392 A HA 0.825 5.142 4.320 -0.005 0.000 0.295 392 A C -1.976 175.678 177.584 0.116 0.000 1.071 392 A CA -0.551 51.522 52.037 0.060 0.000 0.685 392 A CB 1.924 21.007 19.000 0.138 0.000 1.285 392 A HN 0.441 nan 8.150 nan 0.000 0.405 393 V N 1.615 121.556 119.914 0.046 0.000 2.555 393 V HA 0.440 4.557 4.120 -0.005 0.000 0.302 393 V C -0.876 175.023 176.094 -0.325 0.000 1.038 393 V CA -0.553 61.715 62.300 -0.054 0.000 0.887 393 V CB 1.902 33.700 31.823 -0.041 0.000 0.991 393 V HN 0.907 nan 8.190 nan 0.000 0.434 394 D N 3.914 123.934 120.400 -0.633 0.000 2.428 394 D HA 0.282 4.919 4.640 -0.005 0.000 0.221 394 D C 0.907 176.892 176.300 -0.525 0.000 1.123 394 D CA -0.175 53.159 54.000 -1.110 0.000 0.869 394 D CB 1.297 41.249 40.800 -1.413 0.000 1.032 394 D HN 0.452 nan 8.370 nan 0.000 0.506 395 L N 2.697 123.673 121.223 -0.412 0.000 2.265 395 L HA -0.158 4.180 4.340 -0.005 0.000 0.215 395 L C 2.267 179.031 176.870 -0.177 0.000 1.117 395 L CA 0.830 55.543 54.840 -0.211 0.000 0.782 395 L CB -0.136 41.837 42.059 -0.144 0.000 0.914 395 L HN 0.439 nan 8.230 nan 0.000 0.441 396 Q N -0.452 119.206 119.800 -0.237 0.000 2.123 396 Q HA -0.081 4.256 4.340 -0.005 0.000 0.199 396 Q C 1.877 177.805 176.000 -0.120 0.000 0.966 396 Q CA 1.662 57.375 55.803 -0.149 0.000 0.845 396 Q CB 0.108 28.765 28.738 -0.135 0.000 0.907 396 Q HN 0.510 nan 8.270 nan 0.000 0.439 397 S N -0.881 114.726 115.700 -0.154 0.000 2.539 397 S HA 0.273 4.741 4.470 -0.005 0.000 0.221 397 S C 0.903 175.460 174.600 -0.071 0.000 0.987 397 S CA 0.090 58.239 58.200 -0.085 0.000 0.929 397 S CB 0.989 64.150 63.200 -0.065 0.000 0.832 397 S HN 0.467 nan 8.310 nan 0.000 0.492 398 G N 2.685 111.425 108.800 -0.100 0.000 2.372 398 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.290 398 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.290 398 G C -0.431 174.446 174.900 -0.038 0.000 0.965 398 G CA 0.106 45.167 45.100 -0.065 0.000 1.263 398 G HN 0.522 nan 8.290 nan 0.000 0.498 399 K N -0.365 120.017 120.400 -0.030 0.000 2.427 399 K HA 0.622 4.939 4.320 -0.005 0.000 0.252 399 K C -0.577 176.092 176.600 0.114 0.000 0.931 399 K CA -1.215 55.091 56.287 0.033 0.000 0.793 399 K CB 2.597 35.152 32.500 0.092 0.000 1.211 399 K HN 0.165 nan 8.250 nan 0.000 0.426 400 L N 2.500 123.766 121.223 0.072 0.000 2.307 400 L HA 0.402 4.739 4.340 -0.005 0.000 0.282 400 L C -1.565 175.407 176.870 0.171 0.000 1.051 400 L CA -0.115 54.799 54.840 0.123 0.000 0.804 400 L CB 0.343 42.422 42.059 0.033 0.000 1.197 400 L HN 0.423 nan 8.230 nan 0.000 0.431 401 Y N 4.542 124.853 120.300 0.019 0.000 2.328 401 Y HA 0.567 5.114 4.550 -0.005 0.000 0.336 401 Y C 0.396 176.312 175.900 0.027 0.000 0.960 401 Y CA -0.614 57.513 58.100 0.045 0.000 1.134 401 Y CB 1.296 39.814 38.460 0.097 0.000 1.166 401 Y HN 0.584 nan 8.280 nan 0.000 0.464 402 R N 1.041 121.621 120.500 0.133 0.000 2.649 402 R HA 0.038 4.376 4.340 -0.005 0.000 0.270 402 R C 1.232 177.606 176.300 0.123 0.000 1.105 402 R CA -0.281 55.883 56.100 0.107 0.000 1.193 402 R CB 0.489 30.843 30.300 0.089 0.000 1.120 402 R HN 0.759 nan 8.270 nan 0.000 0.561 403 D N 1.163 121.629 120.400 0.110 0.000 2.160 403 D HA -0.252 4.385 4.640 -0.005 0.000 0.189 403 D C 1.749 178.111 176.300 0.102 0.000 1.003 403 D CA 1.855 55.912 54.000 0.095 0.000 0.846 403 D CB 0.079 40.936 40.800 0.095 0.000 0.949 403 D HN 0.435 nan 8.370 nan 0.000 0.446 404 R N 0.242 120.819 120.500 0.128 0.000 2.103 404 R HA -0.213 4.125 4.340 -0.005 0.000 0.234 404 R C 2.292 178.689 176.300 0.163 0.000 1.132 404 R CA 2.212 58.417 56.100 0.176 0.000 0.925 404 R CB -0.210 30.183 30.300 0.155 0.000 0.842 404 R HN 0.051 nan 8.270 nan 0.000 0.430 405 E N 0.644 120.927 120.200 0.137 0.000 2.136 405 E HA -0.249 4.098 4.350 -0.005 0.000 0.202 405 E C 1.804 178.560 176.600 0.261 0.000 1.019 405 E CA 1.558 58.043 56.400 0.141 0.000 0.819 405 E CB -0.428 29.298 29.700 0.043 0.000 0.739 405 E HN 0.336 nan 8.360 nan 0.000 0.458 406 L N 0.657 122.043 121.223 0.271 0.000 2.093 406 L HA -0.106 4.231 4.340 -0.005 0.000 0.208 406 L C 1.667 178.579 176.870 0.070 0.000 1.085 406 L CA 1.753 56.743 54.840 0.250 0.000 0.755 406 L CB -0.059 42.059 42.059 0.098 0.000 0.904 406 L HN -0.059 nan 8.230 nan 0.000 0.435 407 K N -0.519 119.845 120.400 -0.060 0.000 2.155 407 K HA -0.108 4.210 4.320 -0.005 0.000 0.203 407 K C 1.671 178.071 176.600 -0.333 0.000 1.052 407 K CA 1.123 57.203 56.287 -0.346 0.000 0.948 407 K CB -0.280 31.800 32.500 -0.700 0.000 0.728 407 K HN 0.375 nan 8.250 nan 0.000 0.448 408 D N 0.405 120.790 120.400 -0.025 0.000 2.097 408 D HA -0.166 4.471 4.640 -0.005 0.000 0.195 408 D C 1.875 178.251 176.300 0.127 0.000 0.989 408 D CA 1.257 55.341 54.000 0.141 0.000 0.827 408 D CB -0.307 40.613 40.800 0.201 0.000 0.966 408 D HN 0.349 nan 8.370 nan 0.000 0.456 409 H N -0.148 118.972 119.070 0.083 0.000 2.319 409 H HA -0.104 4.449 4.556 -0.005 0.000 0.299 409 H C 1.974 177.315 175.328 0.022 0.000 1.092 409 H CA 1.442 57.550 56.048 0.099 0.000 1.302 409 H CB -0.176 29.692 29.762 0.177 0.000 1.373 409 H HN 0.001 nan 8.280 nan 0.000 0.497 410 L N 0.199 121.470 121.223 0.080 0.000 2.141 410 L HA -0.024 4.313 4.340 -0.005 0.000 0.209 410 L C 2.790 179.705 176.870 0.075 0.000 1.094 410 L CA 1.329 56.171 54.840 0.003 0.000 0.763 410 L CB -0.852 41.135 42.059 -0.120 0.000 0.908 410 L HN 0.442 nan 8.230 nan 0.000 0.437 411 A N -1.160 121.680 122.820 0.033 0.000 1.978 411 A HA -0.239 4.078 4.320 -0.005 0.000 0.220 411 A C 2.412 180.147 177.584 0.253 0.000 1.170 411 A CA 2.337 54.481 52.037 0.178 0.000 0.636 411 A CB -1.005 18.081 19.000 0.143 0.000 0.810 411 A HN 0.398 nan 8.150 nan 0.000 0.448 412 T N 0.339 114.934 114.554 0.068 0.000 2.962 412 T HA -0.008 4.340 4.350 -0.005 0.000 0.270 412 T C 1.670 176.288 174.700 -0.137 0.000 1.088 412 T CA 0.848 62.917 62.100 -0.053 0.000 1.127 412 T CB -0.269 68.523 68.868 -0.126 0.000 0.883 412 T HN 0.341 nan 8.240 nan 0.000 0.493 413 L N -0.199 120.979 121.223 -0.075 0.000 2.056 413 L HA 0.019 4.356 4.340 -0.005 0.000 0.207 413 L C 1.040 177.632 176.870 -0.463 0.000 1.078 413 L CA 1.259 55.993 54.840 -0.176 0.000 0.749 413 L CB -0.321 41.739 42.059 0.002 0.000 0.901 413 L HN 0.207 nan 8.230 nan 0.000 0.433 414 K N -1.103 118.705 120.400 -0.987 0.000 2.409 414 K HA 0.402 4.719 4.320 -0.005 0.000 0.252 414 K C -2.411 173.256 176.600 -1.555 0.000 1.036 414 K CA -2.201 53.159 56.287 -1.545 0.000 0.871 414 K CB 0.212 31.183 32.500 -2.549 0.000 1.374 414 K HN -0.321 nan 8.250 nan 0.000 0.459 415 P HA 0.192 nan 4.420 nan 0.000 0.219 415 P C 0.124 176.841 177.300 -0.971 0.000 1.832 415 P CA -0.357 62.208 63.100 -0.892 0.000 1.014 415 P CB -0.427 30.933 31.700 -0.566 0.000 1.939 416 W N 1.264 122.208 121.300 -0.593 0.000 2.290 416 W HA -0.323 4.334 4.660 -0.004 0.000 0.323 416 W C 1.703 178.156 176.519 -0.110 0.000 1.260 416 W CA 1.757 58.862 57.345 -0.400 0.000 1.266 416 W CB -1.067 28.240 29.460 -0.255 0.000 1.149 416 W HN 0.244 nan 8.180 nan 0.000 0.482 417 D N 0.244 120.721 120.400 0.128 0.000 2.081 417 D HA -0.197 4.440 4.640 -0.005 0.000 0.194 417 D C 1.700 178.094 176.300 0.156 0.000 0.986 417 D CA 1.309 55.395 54.000 0.142 0.000 0.837 417 D CB -1.266 39.587 40.800 0.088 0.000 0.985 417 D HN -0.111 nan 8.370 nan 0.000 0.448 418 K N -0.459 119.999 120.400 0.097 0.000 2.248 418 K HA -0.217 4.101 4.320 -0.005 0.000 0.208 418 K C 1.712 178.497 176.600 0.308 0.000 1.044 418 K CA 1.385 57.768 56.287 0.159 0.000 0.933 418 K CB -0.435 32.147 32.500 0.138 0.000 0.723 418 K HN 0.408 nan 8.250 nan 0.000 0.475 419 W N -0.665 120.658 121.300 0.039 0.000 2.762 419 W HA 0.101 4.758 4.660 -0.005 0.000 0.265 419 W C 2.132 178.732 176.519 0.135 0.000 1.263 419 W CA -0.533 56.854 57.345 0.070 0.000 1.411 419 W CB -0.836 28.662 29.460 0.063 0.000 1.065 419 W HN -0.222 nan 8.180 nan 0.000 0.609 420 V N 0.522 120.675 119.914 0.399 0.000 2.407 420 V HA -0.201 3.917 4.120 -0.005 0.000 0.245 420 V C 1.800 178.013 176.094 0.197 0.000 1.041 420 V CA 1.673 64.154 62.300 0.302 0.000 1.040 420 V CB -0.259 31.729 31.823 0.275 0.000 0.671 420 V HN 0.056 nan 8.190 nan 0.000 0.455 421 Q N 0.025 119.917 119.800 0.154 0.000 2.615 421 Q HA -0.111 4.226 4.340 -0.005 0.000 0.220 421 Q C 1.254 177.293 176.000 0.066 0.000 0.981 421 Q CA 0.563 56.411 55.803 0.077 0.000 0.939 421 Q CB -0.289 28.489 28.738 0.066 0.000 0.982 421 Q HN 0.590 nan 8.270 nan 0.000 0.550 422 N N 0.283 119.043 118.700 0.101 0.000 2.268 422 N HA 0.020 4.758 4.740 -0.005 0.000 0.204 422 N C -0.652 174.904 175.510 0.077 0.000 1.124 422 N CA 0.221 53.316 53.050 0.074 0.000 0.838 422 N CB 0.736 39.265 38.487 0.070 0.000 0.994 422 N HN 0.092 nan 8.380 nan 0.000 0.489 423 T N 0.016 114.622 114.554 0.086 0.000 2.829 423 T HA 0.218 4.566 4.350 -0.005 0.000 0.282 423 T C 0.220 174.982 174.700 0.103 0.000 0.990 423 T CA -0.233 61.943 62.100 0.125 0.000 1.028 423 T CB 2.247 71.247 68.868 0.220 0.000 0.951 423 T HN -0.189 nan 8.240 nan 0.000 0.460 424 T N 3.126 117.753 114.554 0.122 0.000 2.747 424 T HA 0.167 4.515 4.350 -0.005 0.000 0.301 424 T C 0.108 174.897 174.700 0.149 0.000 0.952 424 T CA -0.311 61.841 62.100 0.086 0.000 0.983 424 T CB -0.346 68.562 68.868 0.067 0.000 0.930 424 T HN 0.530 nan 8.240 nan 0.000 0.494 425 H N 4.240 123.289 119.070 -0.036 0.000 3.109 425 H HA 0.165 4.718 4.556 -0.005 0.000 0.266 425 H C 0.902 176.176 175.328 -0.091 0.000 1.334 425 H CA -0.642 55.376 56.048 -0.050 0.000 1.456 425 H CB 0.217 29.966 29.762 -0.022 0.000 1.587 425 H HN 0.513 nan 8.280 nan 0.000 0.500 426 L N 0.473 121.663 121.223 -0.055 0.000 2.821 426 L HA 0.203 4.540 4.340 -0.005 0.000 0.239 426 L C 0.140 176.959 176.870 -0.085 0.000 1.391 426 L CA -0.027 54.723 54.840 -0.150 0.000 1.231 426 L CB -0.030 41.814 42.059 -0.358 0.000 1.598 426 L HN 0.429 nan 8.230 nan 0.000 0.428 427 D N 0.472 120.860 120.400 -0.020 0.000 2.527 427 D HA -0.070 4.567 4.640 -0.005 0.000 0.249 427 D C 1.662 177.963 176.300 0.002 0.000 1.029 427 D CA 0.864 54.858 54.000 -0.009 0.000 0.951 427 D CB 0.257 41.062 40.800 0.008 0.000 1.093 427 D HN 0.574 nan 8.370 nan 0.000 0.464 428 E N 1.035 121.246 120.200 0.019 0.000 2.038 428 E HA -0.179 4.168 4.350 -0.005 0.000 0.195 428 E C 2.341 178.948 176.600 0.013 0.000 1.000 428 E CA 0.614 57.026 56.400 0.019 0.000 0.803 428 E CB -0.246 29.470 29.700 0.026 0.000 0.750 428 E HN 0.109 nan 8.360 nan 0.000 0.448 429 L N 0.725 121.952 121.223 0.006 0.000 2.137 429 L HA -0.201 4.136 4.340 -0.005 0.000 0.213 429 L C 2.194 179.067 176.870 0.006 0.000 1.085 429 L CA 1.202 56.047 54.840 0.008 0.000 0.760 429 L CB -0.032 42.026 42.059 -0.003 0.000 0.893 429 L HN -0.041 nan 8.230 nan 0.000 0.434 430 V N -0.207 119.703 119.914 -0.007 0.000 2.649 430 V HA -0.182 3.935 4.120 -0.005 0.000 0.248 430 V C 2.541 178.646 176.094 0.020 0.000 1.054 430 V CA 1.737 64.038 62.300 0.003 0.000 1.073 430 V CB -0.268 31.547 31.823 -0.013 0.000 0.699 430 V HN 0.538 nan 8.190 nan 0.000 0.463 431 K N -0.077 120.332 120.400 0.017 0.000 2.025 431 K HA -0.168 4.149 4.320 -0.005 0.000 0.207 431 K C 2.111 178.724 176.600 0.022 0.000 1.049 431 K CA 1.931 58.230 56.287 0.020 0.000 0.933 431 K CB -0.393 32.117 32.500 0.016 0.000 0.714 431 K HN 0.410 nan 8.250 nan 0.000 0.438 432 T N 1.171 115.738 114.554 0.022 0.000 2.531 432 T HA -0.279 4.068 4.350 -0.005 0.000 0.261 432 T C 1.883 176.599 174.700 0.027 0.000 1.141 432 T CA 2.261 64.375 62.100 0.024 0.000 1.176 432 T CB -0.642 68.241 68.868 0.026 0.000 0.863 432 T HN 0.515 nan 8.240 nan 0.000 0.424 433 A N 0.416 123.255 122.820 0.032 0.000 2.076 433 A HA -0.090 4.227 4.320 -0.005 0.000 0.220 433 A C 2.499 180.104 177.584 0.035 0.000 1.160 433 A CA 2.162 54.221 52.037 0.037 0.000 0.653 433 A CB -0.795 18.233 19.000 0.047 0.000 0.801 433 A HN 0.488 nan 8.150 nan 0.000 0.455 434 S N -0.476 115.243 115.700 0.032 0.000 2.362 434 S HA -0.010 4.457 4.470 -0.005 0.000 0.221 434 S C 1.862 176.472 174.600 0.016 0.000 1.032 434 S CA 1.015 59.232 58.200 0.027 0.000 0.973 434 S CB -0.419 62.798 63.200 0.028 0.000 0.849 434 S HN 0.519 nan 8.310 nan 0.000 0.465 435 L N 1.050 122.283 121.223 0.016 0.000 2.265 435 L HA -0.017 4.321 4.340 -0.005 0.000 0.215 435 L C 2.494 179.373 176.870 0.014 0.000 1.117 435 L CA 1.212 56.060 54.840 0.013 0.000 0.782 435 L CB -0.428 41.640 42.059 0.015 0.000 0.914 435 L HN 0.345 nan 8.230 nan 0.000 0.441 436 K N 0.358 120.769 120.400 0.019 0.000 2.487 436 K HA 0.082 4.399 4.320 -0.005 0.000 0.192 436 K C 0.188 176.798 176.600 0.018 0.000 1.027 436 K CA 0.509 56.808 56.287 0.020 0.000 1.054 436 K CB 0.266 32.780 32.500 0.024 0.000 0.824 436 K HN 0.321 nan 8.250 nan 0.000 0.510 437 G N 2.021 110.829 108.800 0.013 0.000 2.421 437 G HA2 -0.103 3.854 3.960 -0.005 0.000 0.360 437 G HA3 -0.103 3.854 3.960 -0.005 0.000 0.360 437 G C -1.210 173.694 174.900 0.006 0.000 1.219 437 G CA -0.885 44.219 45.100 0.007 0.000 1.257 437 G HN 0.089 nan 8.290 nan 0.000 0.609 438 E N 2.384 122.580 120.200 -0.007 0.000 2.606 438 E HA 0.099 4.447 4.350 -0.005 0.000 0.248 438 E C -1.652 174.943 176.600 -0.008 0.000 1.005 438 E CA -0.299 56.098 56.400 -0.006 0.000 0.946 438 E CB 1.229 30.913 29.700 -0.028 0.000 0.928 438 E HN 0.490 nan 8.360 nan 0.000 0.494 439 P HA 0.148 nan 4.420 nan 0.000 0.286 439 P C -0.565 176.740 177.300 0.008 0.000 1.261 439 P CA -0.508 62.597 63.100 0.008 0.000 0.821 439 P CB 1.576 33.285 31.700 0.015 0.000 1.013 440 S N 0.712 116.420 115.700 0.012 0.000 2.536 440 S HA 0.490 4.957 4.470 -0.005 0.000 0.298 440 S C -0.499 174.112 174.600 0.019 0.000 1.083 440 S CA -0.522 57.690 58.200 0.019 0.000 0.995 440 S CB 0.686 63.901 63.200 0.025 0.000 1.058 440 S HN 0.365 nan 8.310 nan 0.000 0.488 441 D N 2.440 122.852 120.400 0.021 0.000 2.602 441 D HA 0.251 4.889 4.640 -0.005 0.000 0.265 441 D C -0.670 175.641 176.300 0.019 0.000 1.454 441 D CA 0.097 54.106 54.000 0.015 0.000 0.795 441 D CB 0.354 41.156 40.800 0.004 0.000 1.140 441 D HN 0.438 nan 8.370 nan 0.000 0.486 442 M N 1.248 120.863 119.600 0.026 0.000 2.598 442 M HA 0.255 4.732 4.480 -0.005 0.000 0.317 442 M C -0.741 175.568 176.300 0.016 0.000 1.179 442 M CA -0.862 54.452 55.300 0.023 0.000 0.936 442 M CB 2.714 35.335 32.600 0.035 0.000 1.713 442 M HN -0.152 nan 8.290 nan 0.000 0.460 443 D N 2.044 122.448 120.400 0.006 0.000 2.193 443 D HA 0.155 4.792 4.640 -0.005 0.000 0.244 443 D C 0.423 176.720 176.300 -0.005 0.000 1.064 443 D CA -0.416 53.585 54.000 0.002 0.000 0.845 443 D CB 1.779 42.577 40.800 -0.003 0.000 1.148 443 D HN 0.704 nan 8.370 nan 0.000 0.464 444 K N 2.418 122.817 120.400 -0.001 0.000 2.227 444 K HA -0.327 3.990 4.320 -0.005 0.000 0.208 444 K C 1.665 178.249 176.600 -0.027 0.000 1.045 444 K CA 2.144 58.426 56.287 -0.008 0.000 0.931 444 K CB -0.314 32.184 32.500 -0.004 0.000 0.721 444 K HN 0.519 nan 8.250 nan 0.000 0.469 445 A N 0.426 123.227 122.820 -0.031 0.000 1.972 445 A HA -0.185 4.132 4.320 -0.005 0.000 0.219 445 A C 2.049 179.588 177.584 -0.074 0.000 1.169 445 A CA 1.700 53.706 52.037 -0.051 0.000 0.635 445 A CB -0.432 18.540 19.000 -0.046 0.000 0.810 445 A HN 0.607 nan 8.150 nan 0.000 0.446 446 E N -0.798 119.368 120.200 -0.057 0.000 2.014 446 E HA -0.109 4.239 4.350 -0.005 0.000 0.190 446 E C 1.927 178.484 176.600 -0.072 0.000 0.980 446 E CA 0.730 57.089 56.400 -0.069 0.000 0.807 446 E CB -0.212 29.470 29.700 -0.030 0.000 0.770 446 E HN 0.328 nan 8.360 nan 0.000 0.451 447 L N 2.150 123.352 121.223 -0.034 0.000 2.064 447 L HA -0.337 4.000 4.340 -0.005 0.000 0.234 447 L C 2.128 178.962 176.870 -0.060 0.000 1.103 447 L CA 2.037 56.861 54.840 -0.026 0.000 0.824 447 L CB -1.066 40.990 42.059 -0.005 0.000 0.919 447 L HN 0.201 nan 8.230 nan 0.000 0.447 448 R N -0.664 119.796 120.500 -0.067 0.000 2.127 448 R HA -0.203 4.134 4.340 -0.005 0.000 0.238 448 R C 2.187 178.396 176.300 -0.153 0.000 1.134 448 R CA 1.756 57.804 56.100 -0.086 0.000 0.975 448 R CB -0.506 29.754 30.300 -0.068 0.000 0.865 448 R HN 0.637 nan 8.270 nan 0.000 0.447 449 R N 0.905 121.278 120.500 -0.211 0.000 2.127 449 R HA 0.017 4.354 4.340 -0.005 0.000 0.217 449 R C 1.962 178.029 176.300 -0.388 0.000 1.074 449 R CA 0.546 56.435 56.100 -0.352 0.000 0.991 449 R CB -0.120 29.872 30.300 -0.513 0.000 0.895 449 R HN 0.053 nan 8.270 nan 0.000 0.450 450 R N 1.057 121.389 120.500 -0.280 0.000 2.126 450 R HA -0.123 4.215 4.340 -0.005 0.000 0.224 450 R C 2.380 178.484 176.300 -0.327 0.000 1.128 450 R CA 2.274 58.206 56.100 -0.280 0.000 0.895 450 R CB -0.645 29.574 30.300 -0.134 0.000 0.817 450 R HN 0.354 nan 8.270 nan 0.000 0.435 451 Q N 0.284 119.987 119.800 -0.163 0.000 2.208 451 Q HA -0.383 3.954 4.340 -0.005 0.000 0.219 451 Q C 2.150 178.081 176.000 -0.115 0.000 1.027 451 Q CA 2.415 58.177 55.803 -0.068 0.000 0.925 451 Q CB -0.387 28.336 28.738 -0.025 0.000 1.006 451 Q HN 0.326 nan 8.270 nan 0.000 0.415 452 Q N 0.151 119.846 119.800 -0.176 0.000 2.170 452 Q HA -0.111 4.226 4.340 -0.005 0.000 0.203 452 Q C 1.876 177.738 176.000 -0.229 0.000 0.976 452 Q CA 1.621 57.322 55.803 -0.171 0.000 0.858 452 Q CB -0.343 28.279 28.738 -0.194 0.000 0.907 452 Q HN 0.412 nan 8.270 nan 0.000 0.433 453 A N -0.206 122.405 122.820 -0.349 0.000 1.883 453 A HA -0.122 4.195 4.320 -0.005 0.000 0.217 453 A C 0.948 178.299 177.584 -0.388 0.000 1.186 453 A CA 1.367 53.167 52.037 -0.394 0.000 0.624 453 A CB -0.676 17.980 19.000 -0.573 0.000 0.822 453 A HN 0.449 nan 8.150 nan 0.000 0.444 454 F N 0.459 120.312 119.950 -0.162 0.000 2.777 454 F HA 0.398 4.923 4.527 -0.005 0.000 0.291 454 F C 1.757 177.491 175.800 -0.109 0.000 1.187 454 F CA -0.858 57.041 58.000 -0.169 0.000 1.406 454 F CB -1.100 37.912 39.000 0.019 0.000 0.982 454 F HN 0.285 nan 8.300 nan 0.000 0.509 455 G N 0.853 109.578 108.800 -0.125 0.000 2.380 455 G HA2 -0.338 3.619 3.960 -0.005 0.000 0.298 455 G HA3 -0.338 3.619 3.960 -0.005 0.000 0.298 455 G C 0.701 175.693 174.900 0.155 0.000 0.989 455 G CA 0.124 45.252 45.100 0.046 0.000 0.836 455 G HN 0.409 nan 8.290 nan 0.000 0.511 456 L N -0.346 120.968 121.223 0.152 0.000 2.483 456 L HA 0.404 4.742 4.340 -0.005 0.000 0.277 456 L C 1.417 178.360 176.870 0.121 0.000 1.248 456 L CA 1.153 56.086 54.840 0.155 0.000 0.825 456 L CB 0.228 42.367 42.059 0.134 0.000 1.096 456 L HN 0.561 nan 8.230 nan 0.000 0.512 457 T N -2.532 112.106 114.554 0.140 0.000 2.647 457 T HA 0.299 4.647 4.350 -0.005 0.000 0.295 457 T C 0.455 175.231 174.700 0.126 0.000 1.126 457 T CA -0.848 61.328 62.100 0.125 0.000 1.040 457 T CB 1.282 70.238 68.868 0.148 0.000 1.472 457 T HN 0.515 nan 8.240 nan 0.000 0.500 458 M N 0.279 119.947 119.600 0.113 0.000 2.193 458 M HA 0.121 4.598 4.480 -0.005 0.000 0.265 458 M C 2.316 178.693 176.300 0.128 0.000 1.071 458 M CA 1.318 56.677 55.300 0.099 0.000 1.140 458 M CB -0.334 32.306 32.600 0.066 0.000 1.369 458 M HN 0.827 nan 8.290 nan 0.000 0.423 459 E N 0.374 120.675 120.200 0.169 0.000 2.114 459 E HA -0.267 4.081 4.350 -0.005 0.000 0.199 459 E C 1.364 178.102 176.600 0.229 0.000 1.008 459 E CA 1.609 58.143 56.400 0.223 0.000 0.810 459 E CB -0.063 29.855 29.700 0.364 0.000 0.739 459 E HN 0.476 nan 8.360 nan 0.000 0.456 460 D N -0.582 119.970 120.400 0.254 0.000 2.178 460 D HA -0.149 4.488 4.640 -0.005 0.000 0.201 460 D C 1.739 178.154 176.300 0.192 0.000 0.980 460 D CA 1.056 55.208 54.000 0.255 0.000 0.842 460 D CB 0.038 40.988 40.800 0.250 0.000 0.948 460 D HN 0.247 nan 8.370 nan 0.000 0.472 461 M N -0.477 119.219 119.600 0.161 0.000 2.534 461 M HA 0.089 4.566 4.480 -0.005 0.000 0.263 461 M C 1.885 178.288 176.300 0.170 0.000 1.152 461 M CA 0.487 55.881 55.300 0.157 0.000 1.145 461 M CB -0.030 32.645 32.600 0.124 0.000 1.333 461 M HN -0.011 nan 8.290 nan 0.000 0.477 462 E N 0.904 121.179 120.200 0.126 0.000 2.038 462 E HA 0.024 4.371 4.350 -0.005 0.000 0.190 462 E C 2.127 178.793 176.600 0.110 0.000 0.967 462 E CA 0.430 56.882 56.400 0.087 0.000 0.816 462 E CB 0.339 30.069 29.700 0.049 0.000 0.784 462 E HN 0.309 nan 8.360 nan 0.000 0.456 463 L N 0.537 121.809 121.223 0.081 0.000 2.046 463 L HA -0.172 4.165 4.340 -0.005 0.000 0.208 463 L C 2.161 179.032 176.870 0.003 0.000 1.077 463 L CA 1.190 56.042 54.840 0.020 0.000 0.747 463 L CB -0.027 41.995 42.059 -0.063 0.000 0.896 463 L HN 0.225 nan 8.230 nan 0.000 0.432 464 I N -2.583 118.009 120.570 0.037 0.000 3.570 464 I HA -0.116 4.051 4.170 -0.005 0.000 0.270 464 I C 1.798 177.994 176.117 0.132 0.000 1.162 464 I CA -0.030 61.297 61.300 0.044 0.000 1.413 464 I CB 0.142 38.164 38.000 0.036 0.000 1.437 464 I HN 0.026 nan 8.210 nan 0.000 0.457 465 L N 0.800 122.130 121.223 0.179 0.000 2.005 465 L HA -0.205 4.132 4.340 -0.005 0.000 0.207 465 L C 2.457 179.449 176.870 0.204 0.000 1.072 465 L CA 2.237 57.198 54.840 0.202 0.000 0.744 465 L CB -1.173 41.002 42.059 0.193 0.000 0.895 465 L HN 0.271 nan 8.230 nan 0.000 0.433 466 H N 0.268 119.455 119.070 0.195 0.000 2.272 466 H HA -0.162 4.391 4.556 -0.005 0.000 0.289 466 H C -0.776 174.689 175.328 0.228 0.000 1.100 466 H CA 3.308 59.516 56.048 0.266 0.000 1.209 466 H CB -1.317 28.564 29.762 0.199 0.000 1.348 466 H HN 0.284 nan 8.280 nan 0.000 0.481 467 P HA -0.145 nan 4.420 nan 0.000 0.218 467 P C 1.622 178.945 177.300 0.037 0.000 1.149 467 P CA 1.578 64.741 63.100 0.104 0.000 0.817 467 P CB -0.108 31.656 31.700 0.108 0.000 0.785 468 M N -1.003 118.628 119.600 0.051 0.000 2.086 468 M HA -0.147 4.330 4.480 -0.005 0.000 0.261 468 M C 1.862 178.157 176.300 -0.007 0.000 1.067 468 M CA 1.794 57.117 55.300 0.037 0.000 1.116 468 M CB -0.658 32.005 32.600 0.104 0.000 1.348 468 M HN -0.228 nan 8.290 nan 0.000 0.407 469 V N -0.394 119.474 119.914 -0.077 0.000 2.358 469 V HA -0.246 3.871 4.120 -0.005 0.000 0.246 469 V C 2.084 178.000 176.094 -0.297 0.000 1.047 469 V CA 2.047 64.173 62.300 -0.289 0.000 1.035 469 V CB -0.891 30.489 31.823 -0.738 0.000 0.658 469 V HN 0.519 nan 8.190 nan 0.000 0.452 470 E N 0.363 120.440 120.200 -0.205 0.000 2.006 470 E HA -0.234 4.114 4.350 -0.005 0.000 0.192 470 E C 1.806 178.402 176.600 -0.007 0.000 0.993 470 E CA 1.654 58.029 56.400 -0.041 0.000 0.808 470 E CB -0.055 29.693 29.700 0.079 0.000 0.764 470 E HN 0.559 nan 8.360 nan 0.000 0.449 471 D N -1.061 119.346 120.400 0.011 0.000 2.289 471 D HA 0.055 4.692 4.640 -0.005 0.000 0.207 471 D C 0.604 176.904 176.300 0.001 0.000 0.966 471 D CA 1.017 55.031 54.000 0.022 0.000 0.868 471 D CB 0.364 41.189 40.800 0.041 0.000 0.943 471 D HN 0.391 nan 8.370 nan 0.000 0.514 472 G N 1.258 110.046 108.800 -0.019 0.000 2.353 472 G HA2 -0.283 3.674 3.960 -0.005 0.000 0.294 472 G HA3 -0.283 3.674 3.960 -0.005 0.000 0.294 472 G C 0.075 174.958 174.900 -0.028 0.000 1.077 472 G CA 0.499 45.581 45.100 -0.031 0.000 1.098 472 G HN 0.317 nan 8.290 nan 0.000 0.511 473 K N -1.000 119.385 120.400 -0.024 0.000 2.755 473 K HA 0.388 4.705 4.320 -0.005 0.000 0.294 473 K C -0.861 175.734 176.600 -0.008 0.000 1.060 473 K CA -0.650 55.628 56.287 -0.015 0.000 0.845 473 K CB 1.299 33.803 32.500 0.007 0.000 1.539 473 K HN 0.432 nan 8.250 nan 0.000 0.379 474 E N 0.304 120.502 120.200 -0.003 0.000 2.187 474 E HA 0.589 4.937 4.350 -0.005 0.000 0.268 474 E C -0.792 175.809 176.600 0.002 0.000 0.896 474 E CA -0.998 55.402 56.400 0.001 0.000 0.766 474 E CB 1.770 31.469 29.700 -0.002 0.000 1.142 474 E HN 0.646 nan 8.360 nan 0.000 0.408 475 A N 5.433 128.253 122.820 -0.002 0.000 2.520 475 A HA -0.055 4.262 4.320 -0.005 0.000 0.279 475 A C 0.082 177.633 177.584 -0.055 0.000 1.031 475 A CA 0.495 52.515 52.037 -0.028 0.000 0.943 475 A CB -0.888 18.064 19.000 -0.081 0.000 0.899 475 A HN 0.666 nan 8.150 nan 0.000 0.508 476 I N 2.181 122.722 120.570 -0.048 0.000 2.499 476 I HA 0.565 4.733 4.170 -0.005 0.000 0.296 476 I C 1.136 177.097 176.117 -0.259 0.000 0.992 476 I CA 0.420 61.651 61.300 -0.115 0.000 1.297 476 I CB 1.842 39.801 38.000 -0.069 0.000 1.410 476 I HN 0.738 nan 8.210 nan 0.000 0.507 477 G N 2.899 111.469 108.800 -0.383 0.000 2.976 477 G HA2 0.751 4.709 3.960 -0.005 0.000 0.276 477 G HA3 0.751 4.709 3.960 -0.005 0.000 0.276 477 G C -1.333 173.268 174.900 -0.497 0.000 1.207 477 G CA -0.070 44.728 45.100 -0.504 0.000 0.803 477 G HN 0.689 nan 8.290 nan 0.000 0.572 478 S N -2.094 113.494 115.700 -0.187 0.000 2.636 478 S HA 0.646 5.113 4.470 -0.005 0.000 0.266 478 S C -0.672 173.940 174.600 0.019 0.000 1.147 478 S CA -0.351 57.815 58.200 -0.058 0.000 0.815 478 S CB 1.524 64.732 63.200 0.014 0.000 1.119 478 S HN 1.730 nan 8.310 nan 0.000 0.470 479 M N 0.003 119.621 119.600 0.031 0.000 7.319 479 M HA -0.023 4.454 4.480 -0.005 0.000 0.157 479 M C 0.763 177.086 176.300 0.039 0.000 0.480 479 M CA 1.315 56.641 55.300 0.043 0.000 1.311 479 M CB -1.799 30.835 32.600 0.057 0.000 0.421 479 M HN 1.566 nan 8.290 nan 0.000 0.190 480 G N 0.671 109.512 108.800 0.068 0.000 2.590 480 G HA2 0.314 4.271 3.960 -0.005 0.000 0.276 480 G HA3 0.314 4.271 3.960 -0.005 0.000 0.276 480 G C -0.408 174.502 174.900 0.018 0.000 1.337 480 G CA 0.415 45.549 45.100 0.057 0.000 1.030 480 G HN 0.866 nan 8.290 nan 0.000 0.534 481 D N -0.678 119.706 120.400 -0.026 0.000 2.414 481 D HA 0.209 4.846 4.640 -0.005 0.000 0.232 481 D C -0.308 175.938 176.300 -0.090 0.000 1.070 481 D CA -0.792 53.137 54.000 -0.118 0.000 0.839 481 D CB 1.257 41.952 40.800 -0.174 0.000 1.079 481 D HN 0.266 nan 8.370 nan 0.000 0.521 482 D N 1.551 121.901 120.400 -0.083 0.000 2.593 482 D HA 0.063 4.700 4.640 -0.005 0.000 0.241 482 D C -0.313 175.813 176.300 -0.290 0.000 1.257 482 D CA -0.384 53.558 54.000 -0.098 0.000 0.828 482 D CB -0.284 40.537 40.800 0.034 0.000 1.049 482 D HN 0.132 nan 8.370 nan 0.000 0.490 483 S N 0.186 115.628 115.700 -0.431 0.000 2.634 483 S HA 0.529 4.997 4.470 -0.005 0.000 0.261 483 S C -2.319 172.141 174.600 -0.233 0.000 1.271 483 S CA -1.032 56.883 58.200 -0.474 0.000 0.985 483 S CB 0.636 63.586 63.200 -0.416 0.000 0.968 483 S HN 0.035 nan 8.310 nan 0.000 0.568 484 P HA 0.314 nan 4.420 nan 0.000 0.277 484 P C -0.433 176.809 177.300 -0.097 0.000 1.276 484 P CA -0.744 62.283 63.100 -0.121 0.000 0.788 484 P CB 0.177 31.822 31.700 -0.092 0.000 1.114 485 I N -2.808 117.701 120.570 -0.101 0.000 2.428 485 I HA 0.468 4.635 4.170 -0.005 0.000 0.289 485 I C 1.248 177.279 176.117 -0.144 0.000 1.019 485 I CA -0.791 60.447 61.300 -0.103 0.000 1.351 485 I CB 1.086 39.025 38.000 -0.101 0.000 1.412 485 I HN 0.311 nan 8.210 nan 0.000 0.513 486 A N 5.680 128.366 122.820 -0.223 0.000 1.923 486 A HA -0.246 4.071 4.320 -0.005 0.000 0.222 486 A C 2.132 179.534 177.584 -0.303 0.000 1.258 486 A CA 3.368 55.160 52.037 -0.408 0.000 0.670 486 A CB -1.517 16.975 19.000 -0.848 0.000 0.834 486 A HN 1.005 nan 8.150 nan 0.000 0.470 487 V N -1.942 117.858 119.914 -0.190 0.000 2.380 487 V HA -0.215 3.902 4.120 -0.005 0.000 0.251 487 V C 2.173 178.269 176.094 0.003 0.000 1.063 487 V CA 1.997 64.339 62.300 0.070 0.000 1.055 487 V CB -1.071 30.834 31.823 0.136 0.000 0.657 487 V HN 0.499 nan 8.190 nan 0.000 0.455 488 L N 0.682 121.877 121.223 -0.046 0.000 2.599 488 L HA 0.167 4.504 4.340 -0.005 0.000 0.230 488 L C 1.409 178.254 176.870 -0.043 0.000 1.141 488 L CA 0.298 55.110 54.840 -0.046 0.000 0.877 488 L CB -0.121 41.899 42.059 -0.065 0.000 1.009 488 L HN 0.386 nan 8.230 nan 0.000 0.447 489 S N -0.314 115.357 115.700 -0.049 0.000 2.580 489 S HA -0.003 4.464 4.470 -0.005 0.000 0.274 489 S C 0.863 175.463 174.600 -0.000 0.000 1.329 489 S CA -0.518 57.661 58.200 -0.035 0.000 1.036 489 S CB 1.296 64.457 63.200 -0.066 0.000 0.919 489 S HN 0.170 nan 8.310 nan 0.000 0.515 490 D N 2.052 122.461 120.400 0.015 0.000 2.183 490 D HA 0.098 4.736 4.640 -0.005 0.000 0.203 490 D C 0.327 176.666 176.300 0.065 0.000 0.969 490 D CA 1.215 55.239 54.000 0.040 0.000 0.842 490 D CB 0.259 41.086 40.800 0.045 0.000 0.957 490 D HN 0.415 nan 8.370 nan 0.000 0.484 491 K N -0.079 120.357 120.400 0.060 0.000 2.123 491 K HA 0.130 4.447 4.320 -0.005 0.000 0.248 491 K C -0.441 176.222 176.600 0.106 0.000 0.969 491 K CA -0.921 55.421 56.287 0.092 0.000 0.882 491 K CB 1.345 33.892 32.500 0.078 0.000 1.080 491 K HN -0.001 nan 8.250 nan 0.000 0.441 492 Y N 2.086 122.401 120.300 0.026 0.000 2.526 492 Y HA 0.037 4.584 4.550 -0.004 0.000 0.330 492 Y C -0.431 175.445 175.900 -0.041 0.000 1.156 492 Y CA 0.357 58.480 58.100 0.037 0.000 1.419 492 Y CB 0.637 39.144 38.460 0.079 0.000 1.250 492 Y HN 0.288 nan 8.280 nan 0.000 0.540 493 R N 4.404 124.477 120.500 -0.711 0.000 2.621 493 R HA 0.388 4.725 4.340 -0.005 0.000 0.284 493 R C -0.397 175.417 176.300 -0.810 0.000 0.998 493 R CA -0.596 55.011 56.100 -0.820 0.000 0.895 493 R CB 1.784 31.688 30.300 -0.661 0.000 1.195 493 R HN 1.018 nan 8.270 nan 0.000 0.450 494 G N 1.613 110.145 108.800 -0.445 0.000 2.503 494 G HA2 0.194 4.151 3.960 -0.005 0.000 0.257 494 G HA3 0.194 4.151 3.960 -0.005 0.000 0.257 494 G C 1.082 176.248 174.900 0.443 0.000 1.214 494 G CA -0.518 44.588 45.100 0.010 0.000 0.839 494 G HN 0.420 nan 8.290 nan 0.000 0.559 495 L N 1.277 122.681 121.223 0.301 0.000 2.040 495 L HA -0.305 4.033 4.340 -0.005 0.000 0.228 495 L C 2.938 180.149 176.870 0.568 0.000 1.092 495 L CA 2.937 57.986 54.840 0.347 0.000 0.805 495 L CB -1.288 40.864 42.059 0.154 0.000 0.905 495 L HN 0.915 nan 8.230 nan 0.000 0.443 496 H N -3.598 115.572 119.070 0.166 0.000 2.520 496 H HA -0.210 4.344 4.556 -0.005 0.000 0.295 496 H C 1.866 177.245 175.328 0.086 0.000 1.096 496 H CA 1.418 57.504 56.048 0.064 0.000 1.249 496 H CB -0.612 29.093 29.762 -0.094 0.000 1.365 496 H HN 0.597 nan 8.280 nan 0.000 0.556 497 H N -0.149 118.967 119.070 0.076 0.000 2.462 497 H HA -0.064 4.490 4.556 -0.005 0.000 0.292 497 H C 1.178 176.414 175.328 -0.152 0.000 1.049 497 H CA 1.155 57.063 56.048 -0.233 0.000 1.334 497 H CB 0.098 29.699 29.762 -0.267 0.000 1.404 497 H HN 0.444 nan 8.280 nan 0.000 0.544 498 F N -0.297 119.672 119.950 0.031 0.000 2.512 498 F HA 0.025 4.549 4.527 -0.005 0.000 0.296 498 F C 0.542 176.176 175.800 -0.276 0.000 1.110 498 F CA 0.142 58.054 58.000 -0.148 0.000 1.446 498 F CB -0.126 38.693 39.000 -0.302 0.000 1.092 498 F HN -0.100 nan 8.300 nan 0.000 0.554 499 F N 2.764 122.793 119.950 0.131 0.000 2.405 499 F HA 0.261 4.785 4.527 -0.005 0.000 0.358 499 F C 0.831 176.776 175.800 0.242 0.000 1.151 499 F CA -0.858 57.172 58.000 0.050 0.000 1.161 499 F CB 0.019 38.840 39.000 -0.298 0.000 1.245 499 F HN -0.259 nan 8.300 nan 0.000 0.545 500 R N 3.225 123.966 120.500 0.403 0.000 2.490 500 R HA 0.240 4.577 4.340 -0.005 0.000 0.278 500 R C -0.192 176.472 176.300 0.607 0.000 1.069 500 R CA -0.633 55.738 56.100 0.452 0.000 1.080 500 R CB 0.651 31.121 30.300 0.284 0.000 1.030 500 R HN 0.613 nan 8.270 nan 0.000 0.491 501 Q N 1.714 121.859 119.800 0.574 0.000 2.259 501 Q HA 0.255 4.592 4.340 -0.005 0.000 0.246 501 Q C -0.457 175.682 176.000 0.231 0.000 0.920 501 Q CA -0.761 55.253 55.803 0.351 0.000 0.895 501 Q CB 0.779 29.770 28.738 0.421 0.000 1.220 501 Q HN 0.320 nan 8.270 nan 0.000 0.439 502 N N 1.135 119.827 118.700 -0.014 0.000 2.493 502 N HA 0.533 5.270 4.740 -0.005 0.000 0.275 502 N C -1.037 174.562 175.510 0.148 0.000 1.186 502 N CA -0.222 52.819 53.050 -0.016 0.000 0.978 502 N CB 0.641 39.016 38.487 -0.187 0.000 1.184 502 N HN 0.476 nan 8.380 nan 0.000 0.487 503 F N -2.379 117.570 119.950 -0.001 0.000 2.662 503 F HA 0.678 5.202 4.527 -0.005 0.000 0.312 503 F C -0.288 175.517 175.800 0.008 0.000 1.113 503 F CA -1.390 56.616 58.000 0.011 0.000 0.951 503 F CB 0.542 39.559 39.000 0.029 0.000 1.344 503 F HN 0.295 nan 8.300 nan 0.000 0.462 504 S N 0.074 115.840 115.700 0.109 0.000 2.509 504 S HA 0.597 5.065 4.470 -0.005 0.000 0.297 504 S C -0.413 174.258 174.600 0.118 0.000 1.118 504 S CA -0.538 57.663 58.200 0.002 0.000 1.074 504 S CB 2.453 65.656 63.200 0.005 0.000 1.038 504 S HN 0.857 nan 8.310 nan 0.000 0.498 505 Q N 0.994 120.827 119.800 0.055 0.000 2.596 505 Q HA 0.302 4.640 4.340 -0.005 0.000 0.190 505 Q C 1.309 177.340 176.000 0.050 0.000 0.905 505 Q CA 0.140 56.005 55.803 0.104 0.000 0.846 505 Q CB -0.014 28.789 28.738 0.109 0.000 1.117 505 Q HN 0.599 nan 8.270 nan 0.000 0.630 506 V N -0.030 119.889 119.914 0.009 0.000 3.379 506 V HA -0.046 4.071 4.120 -0.005 0.000 0.249 506 V C 1.795 177.873 176.094 -0.025 0.000 1.184 506 V CA 1.153 63.445 62.300 -0.014 0.000 1.106 506 V CB 0.532 32.331 31.823 -0.040 0.000 0.826 506 V HN 0.433 nan 8.190 nan 0.000 0.465 507 T N 1.980 116.518 114.554 -0.028 0.000 2.684 507 T HA -0.069 4.278 4.350 -0.005 0.000 0.267 507 T C 0.792 175.485 174.700 -0.011 0.000 1.036 507 T CA 1.671 63.753 62.100 -0.031 0.000 1.148 507 T CB -0.190 68.662 68.868 -0.027 0.000 0.863 507 T HN 0.669 nan 8.240 nan 0.000 0.436 508 N N 0.838 119.539 118.700 0.002 0.000 2.455 508 N HA 0.386 5.123 4.740 -0.005 0.000 0.278 508 N C -3.521 172.001 175.510 0.020 0.000 1.291 508 N CA -2.205 50.849 53.050 0.007 0.000 0.780 508 N CB 1.642 40.126 38.487 -0.005 0.000 1.520 508 N HN 0.007 nan 8.380 nan 0.000 0.486 509 P HA 0.507 nan 4.420 nan 0.000 0.293 509 P C -2.867 174.413 177.300 -0.032 0.000 1.291 509 P CA -1.426 61.676 63.100 0.003 0.000 0.867 509 P CB 1.420 33.084 31.700 -0.060 0.000 1.074 510 P HA 0.358 nan 4.420 nan 0.000 0.274 510 P C -0.103 177.191 177.300 -0.010 0.000 1.256 510 P CA -0.166 62.944 63.100 0.017 0.000 0.795 510 P CB 0.578 32.306 31.700 0.048 0.000 1.038 511 I N -0.528 120.047 120.570 0.008 0.000 2.982 511 I HA 0.299 4.467 4.170 -0.005 0.000 0.312 511 I C 0.325 176.477 176.117 0.058 0.000 1.041 511 I CA -0.683 60.628 61.300 0.019 0.000 1.053 511 I CB 1.240 39.248 38.000 0.014 0.000 1.248 511 I HN 0.174 nan 8.210 nan 0.000 0.471 512 D N 1.729 122.188 120.400 0.099 0.000 2.428 512 D HA 0.111 4.748 4.640 -0.005 0.000 0.221 512 D C 0.842 177.187 176.300 0.076 0.000 1.123 512 D CA -0.047 54.028 54.000 0.126 0.000 0.869 512 D CB 1.130 42.059 40.800 0.215 0.000 1.032 512 D HN 0.594 nan 8.370 nan 0.000 0.506 513 S N 2.864 118.595 115.700 0.052 0.000 2.507 513 S HA -0.092 4.375 4.470 -0.005 0.000 0.235 513 S C 1.863 176.478 174.600 0.024 0.000 0.988 513 S CA 0.333 58.550 58.200 0.027 0.000 0.944 513 S CB 0.031 63.237 63.200 0.010 0.000 0.762 513 S HN 0.509 nan 8.310 nan 0.000 0.526 514 L N 0.597 121.844 121.223 0.040 0.000 2.187 514 L HA 0.220 4.558 4.340 -0.005 0.000 0.197 514 L C 2.797 179.671 176.870 0.006 0.000 1.090 514 L CA 0.451 55.306 54.840 0.024 0.000 0.781 514 L CB -0.520 41.561 42.059 0.036 0.000 0.956 514 L HN 0.114 nan 8.230 nan 0.000 0.463 515 R N 0.668 121.171 120.500 0.005 0.000 2.189 515 R HA -0.085 4.252 4.340 -0.005 0.000 0.223 515 R C 0.700 176.974 176.300 -0.043 0.000 1.092 515 R CA 0.946 57.005 56.100 -0.069 0.000 0.989 515 R CB -0.131 30.048 30.300 -0.200 0.000 0.876 515 R HN 0.419 nan 8.270 nan 0.000 0.457 516 E N 0.015 120.217 120.200 0.005 0.000 2.736 516 E HA 0.122 4.470 4.350 -0.005 0.000 0.208 516 E C 0.812 177.419 176.600 0.011 0.000 0.996 516 E CA -0.248 56.161 56.400 0.014 0.000 1.104 516 E CB 0.606 30.333 29.700 0.044 0.000 1.111 516 E HN 0.132 nan 8.360 nan 0.000 0.455 517 R N 0.865 121.366 120.500 0.002 0.000 2.081 517 R HA -0.089 4.248 4.340 -0.005 0.000 0.235 517 R C 1.792 178.091 176.300 -0.002 0.000 1.131 517 R CA 1.313 57.413 56.100 -0.001 0.000 0.960 517 R CB 0.127 30.423 30.300 -0.007 0.000 0.856 517 R HN 0.108 nan 8.270 nan 0.000 0.436 518 R N -0.064 120.435 120.500 -0.002 0.000 2.226 518 R HA -0.145 4.192 4.340 -0.005 0.000 0.246 518 R C 2.080 178.383 176.300 0.004 0.000 1.161 518 R CA 1.718 57.818 56.100 -0.000 0.000 0.997 518 R CB -0.268 30.032 30.300 -0.000 0.000 0.870 518 R HN 0.273 nan 8.270 nan 0.000 0.465 519 V N -1.849 118.071 119.914 0.010 0.000 2.788 519 V HA 0.008 4.126 4.120 -0.005 0.000 0.251 519 V C 1.488 177.586 176.094 0.006 0.000 1.068 519 V CA 0.647 62.954 62.300 0.012 0.000 1.090 519 V CB -0.434 31.399 31.823 0.018 0.000 0.710 519 V HN 0.063 nan 8.190 nan 0.000 0.467 520 M N 1.199 120.800 119.600 0.001 0.000 1.878 520 M HA 0.464 4.941 4.480 -0.005 0.000 0.236 520 M C 0.365 176.659 176.300 -0.011 0.000 1.315 520 M CA 0.931 56.228 55.300 -0.005 0.000 0.986 520 M CB 0.556 33.150 32.600 -0.011 0.000 1.324 520 M HN 0.458 nan 8.290 nan 0.000 0.474 521 S N -0.922 114.768 115.700 -0.017 0.000 2.683 521 S HA 0.404 4.871 4.470 -0.005 0.000 0.278 521 S C -1.125 173.461 174.600 -0.024 0.000 1.059 521 S CA -0.842 57.346 58.200 -0.021 0.000 0.847 521 S CB 0.834 64.024 63.200 -0.018 0.000 1.078 521 S HN 0.711 nan 8.310 nan 0.000 0.456 522 L N 1.690 122.897 121.223 -0.027 0.000 3.410 522 L HA 0.300 4.637 4.340 -0.005 0.000 0.309 522 L C 0.027 176.883 176.870 -0.023 0.000 1.254 522 L CA -0.310 54.516 54.840 -0.023 0.000 1.048 522 L CB 0.337 42.380 42.059 -0.026 0.000 1.442 522 L HN 0.625 nan 8.230 nan 0.000 0.615 523 K N 1.839 122.217 120.400 -0.036 0.000 2.511 523 K HA 0.096 4.413 4.320 -0.005 0.000 0.280 523 K C 0.027 176.599 176.600 -0.046 0.000 1.008 523 K CA 0.608 56.863 56.287 -0.053 0.000 1.050 523 K CB 0.666 33.126 32.500 -0.068 0.000 0.889 523 K HN -0.094 nan 8.250 nan 0.000 0.484 524 T N 3.324 117.847 114.554 -0.051 0.000 2.861 524 T HA 0.382 4.729 4.350 -0.005 0.000 0.287 524 T C -0.480 174.188 174.700 -0.054 0.000 1.003 524 T CA -0.758 61.318 62.100 -0.040 0.000 0.977 524 T CB 1.240 70.098 68.868 -0.017 0.000 0.996 524 T HN 0.409 nan 8.240 nan 0.000 0.448 525 R N 1.884 122.352 120.500 -0.053 0.000 2.670 525 R HA 0.670 5.007 4.340 -0.005 0.000 0.289 525 R C -1.474 174.816 176.300 -0.017 0.000 0.965 525 R CA -0.857 55.217 56.100 -0.042 0.000 0.899 525 R CB 1.295 31.564 30.300 -0.051 0.000 1.173 525 R HN 0.305 nan 8.270 nan 0.000 0.456 526 L N 1.355 122.590 121.223 0.020 0.000 2.313 526 L HA 0.520 4.857 4.340 -0.005 0.000 0.283 526 L C 0.813 177.750 176.870 0.112 0.000 1.013 526 L CA -0.280 54.612 54.840 0.086 0.000 0.816 526 L CB 1.776 43.912 42.059 0.130 0.000 1.236 526 L HN 0.846 nan 8.230 nan 0.000 0.419 527 G N 2.159 111.007 108.800 0.080 0.000 2.324 527 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.292 527 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.292 527 G C 0.286 175.205 174.900 0.032 0.000 1.079 527 G CA 0.392 45.524 45.100 0.052 0.000 1.026 527 G HN 0.888 nan 8.290 nan 0.000 0.506 528 N N -0.375 118.323 118.700 -0.002 0.000 2.282 528 N HA 0.110 4.847 4.740 -0.005 0.000 0.240 528 N C 0.530 176.030 175.510 -0.017 0.000 1.182 528 N CA -0.431 52.614 53.050 -0.008 0.000 0.874 528 N CB 0.234 38.708 38.487 -0.022 0.000 1.126 528 N HN 0.406 nan 8.380 nan 0.000 0.516 529 L N 1.234 122.440 121.223 -0.029 0.000 2.466 529 L HA 0.433 4.770 4.340 -0.005 0.000 0.248 529 L C 0.892 177.758 176.870 -0.008 0.000 1.240 529 L CA -0.373 54.444 54.840 -0.037 0.000 1.180 529 L CB 0.296 42.281 42.059 -0.124 0.000 1.413 529 L HN 0.236 nan 8.230 nan 0.000 0.406 530 G N 0.910 109.736 108.800 0.044 0.000 3.110 530 G HA2 0.049 4.006 3.960 -0.005 0.000 0.207 530 G HA3 0.049 4.006 3.960 -0.005 0.000 0.207 530 G C -0.022 174.922 174.900 0.073 0.000 1.841 530 G CA -0.261 44.868 45.100 0.049 0.000 0.751 530 G HN 0.331 nan 8.290 nan 0.000 0.771 531 N N 1.896 120.638 118.700 0.069 0.000 2.558 531 N HA 0.149 4.886 4.740 -0.005 0.000 0.233 531 N C 1.873 177.417 175.510 0.057 0.000 1.038 531 N CA -0.264 52.833 53.050 0.078 0.000 0.934 531 N CB 1.043 39.586 38.487 0.093 0.000 1.175 531 N HN 0.472 nan 8.380 nan 0.000 0.512 532 I N 0.449 121.027 120.570 0.013 0.000 2.399 532 I HA -0.237 3.931 4.170 -0.005 0.000 0.254 532 I C 1.193 177.317 176.117 0.012 0.000 1.146 532 I CA 1.292 62.555 61.300 -0.062 0.000 1.412 532 I CB 0.001 37.887 38.000 -0.190 0.000 1.076 532 I HN 0.369 nan 8.210 nan 0.000 0.432 533 L N 0.312 121.585 121.223 0.082 0.000 2.418 533 L HA 0.102 4.439 4.340 -0.005 0.000 0.218 533 L C 1.005 178.002 176.870 0.212 0.000 1.125 533 L CA 0.385 55.314 54.840 0.148 0.000 0.835 533 L CB -0.499 41.695 42.059 0.226 0.000 0.953 533 L HN 0.309 nan 8.230 nan 0.000 0.454 534 D N 0.652 121.158 120.400 0.176 0.000 2.354 534 D HA 0.068 4.705 4.640 -0.005 0.000 0.247 534 D C 0.037 176.469 176.300 0.220 0.000 1.138 534 D CA 0.194 54.300 54.000 0.176 0.000 0.958 534 D CB 1.408 42.282 40.800 0.123 0.000 1.144 534 D HN 0.035 nan 8.370 nan 0.000 0.458 535 E N 1.308 121.649 120.200 0.235 0.000 3.990 535 E HA 0.127 4.474 4.350 -0.005 0.000 0.246 535 E C -1.617 175.165 176.600 0.304 0.000 1.179 535 E CA -0.594 56.022 56.400 0.359 0.000 1.287 535 E CB -0.014 29.883 29.700 0.327 0.000 1.241 535 E HN 0.370 nan 8.360 nan 0.000 0.406 536 D N -0.672 119.802 120.400 0.123 0.000 2.414 536 D HA 0.083 4.720 4.640 -0.005 0.000 0.241 536 D C 0.909 176.776 176.300 -0.722 0.000 1.008 536 D CA -0.665 53.171 54.000 -0.272 0.000 1.001 536 D CB 0.968 41.648 40.800 -0.199 0.000 1.277 536 D HN 0.228 nan 8.370 nan 0.000 0.538 537 E N -1.108 118.132 120.200 -1.600 0.000 2.478 537 E HA -0.126 4.222 4.350 -0.005 0.000 0.198 537 E C 0.979 177.269 176.600 -0.517 0.000 1.046 537 E CA 0.695 56.197 56.400 -1.496 0.000 0.870 537 E CB -0.264 28.379 29.700 -1.762 0.000 0.818 537 E HN 0.351 nan 8.360 nan 0.000 0.527 538 T N 0.104 114.455 114.554 -0.339 0.000 3.160 538 T HA -0.001 4.346 4.350 -0.005 0.000 0.257 538 T C 1.236 175.906 174.700 -0.050 0.000 1.147 538 T CA 0.543 62.552 62.100 -0.152 0.000 1.064 538 T CB -0.114 68.689 68.868 -0.108 0.000 0.949 538 T HN 0.309 nan 8.240 nan 0.000 0.526 539 Q N -0.381 119.416 119.800 -0.006 0.000 2.444 539 Q HA 0.054 4.391 4.340 -0.005 0.000 0.206 539 Q C 1.686 177.746 176.000 0.100 0.000 0.948 539 Q CA 0.743 56.593 55.803 0.079 0.000 0.946 539 Q CB 0.365 29.198 28.738 0.159 0.000 1.027 539 Q HN 0.399 nan 8.270 nan 0.000 0.513 540 T N -0.205 114.416 114.554 0.112 0.000 3.037 540 T HA 0.105 4.452 4.350 -0.005 0.000 0.252 540 T C 0.528 175.285 174.700 0.094 0.000 1.073 540 T CA -0.122 62.062 62.100 0.140 0.000 1.091 540 T CB 0.212 69.199 68.868 0.198 0.000 0.935 540 T HN 0.098 nan 8.240 nan 0.000 0.488 541 R N 2.484 123.019 120.500 0.059 0.000 2.606 541 R HA 0.370 4.708 4.340 -0.005 0.000 0.276 541 R C -0.843 175.499 176.300 0.070 0.000 1.416 541 R CA 0.020 56.156 56.100 0.059 0.000 1.064 541 R CB -0.719 29.602 30.300 0.036 0.000 1.117 541 R HN 0.325 nan 8.270 nan 0.000 0.543 542 L N -1.177 120.095 121.223 0.082 0.000 2.720 542 L HA 0.590 4.927 4.340 -0.005 0.000 0.261 542 L C -1.046 175.873 176.870 0.081 0.000 1.046 542 L CA -1.278 53.611 54.840 0.080 0.000 0.886 542 L CB 1.024 43.116 42.059 0.055 0.000 1.493 542 L HN 0.059 nan 8.230 nan 0.000 0.407 543 L N 0.580 121.842 121.223 0.063 0.000 2.334 543 L HA 0.717 5.054 4.340 -0.005 0.000 0.275 543 L C -0.391 176.470 176.870 -0.015 0.000 1.036 543 L CA -0.477 54.370 54.840 0.011 0.000 0.807 543 L CB 1.571 43.600 42.059 -0.049 0.000 1.231 543 L HN 0.687 nan 8.230 nan 0.000 0.438 544 Q N 2.076 121.851 119.800 -0.042 0.000 2.323 544 Q HA 0.605 4.942 4.340 -0.005 0.000 0.271 544 Q C -1.438 174.488 176.000 -0.122 0.000 1.048 544 Q CA -0.537 55.209 55.803 -0.095 0.000 0.792 544 Q CB 2.692 31.328 28.738 -0.171 0.000 1.280 544 Q HN 0.558 nan 8.270 nan 0.000 0.441 545 L N 1.279 122.439 121.223 -0.105 0.000 2.347 545 L HA 0.446 4.783 4.340 -0.005 0.000 0.268 545 L C 0.800 177.613 176.870 -0.094 0.000 1.019 545 L CA -0.620 54.167 54.840 -0.087 0.000 0.806 545 L CB 1.015 43.040 42.059 -0.056 0.000 1.339 545 L HN 0.664 nan 8.230 nan 0.000 0.463 546 E N -0.503 119.657 120.200 -0.067 0.000 2.539 546 E HA 0.134 4.481 4.350 -0.005 0.000 0.215 546 E C -0.348 176.230 176.600 -0.035 0.000 0.965 546 E CA 0.164 56.526 56.400 -0.062 0.000 1.019 546 E CB 1.488 31.155 29.700 -0.056 0.000 1.059 546 E HN 0.442 nan 8.360 nan 0.000 0.496 547 S N 0.806 116.495 115.700 -0.018 0.000 2.541 547 S HA 0.339 4.806 4.470 -0.005 0.000 0.271 547 S C -2.401 172.218 174.600 0.031 0.000 1.133 547 S CA -1.384 56.818 58.200 0.003 0.000 0.876 547 S CB 1.909 65.111 63.200 0.003 0.000 1.105 547 S HN -0.261 nan 8.310 nan 0.000 0.470 548 P HA 0.061 nan 4.420 nan 0.000 0.234 548 P C 0.038 177.418 177.300 0.133 0.000 1.167 548 P CA 0.384 63.534 63.100 0.084 0.000 0.763 548 P CB -0.076 31.689 31.700 0.108 0.000 0.835 549 V N 1.712 121.713 119.914 0.145 0.000 2.407 549 V HA 0.235 4.353 4.120 -0.005 0.000 0.278 549 V C 0.351 176.557 176.094 0.187 0.000 1.037 549 V CA -0.341 62.093 62.300 0.224 0.000 0.900 549 V CB 1.163 33.086 31.823 0.168 0.000 0.983 549 V HN -0.089 nan 8.190 nan 0.000 0.459 550 L N 4.591 125.959 121.223 0.242 0.000 2.410 550 L HA 0.553 4.890 4.340 -0.005 0.000 0.270 550 L C 0.342 177.360 176.870 0.247 0.000 0.983 550 L CA -0.602 54.369 54.840 0.218 0.000 0.822 550 L CB 2.454 44.653 42.059 0.233 0.000 1.285 550 L HN 0.701 nan 8.230 nan 0.000 0.409 551 T N -2.480 112.190 114.554 0.194 0.000 2.907 551 T HA 0.100 4.448 4.350 -0.005 0.000 0.298 551 T C 1.218 176.018 174.700 0.167 0.000 1.017 551 T CA -0.431 61.770 62.100 0.168 0.000 1.118 551 T CB 1.296 70.233 68.868 0.115 0.000 0.948 551 T HN 0.621 nan 8.240 nan 0.000 0.531 552 T N 2.432 117.061 114.554 0.125 0.000 2.718 552 T HA -0.240 4.107 4.350 -0.005 0.000 0.266 552 T C 2.218 176.995 174.700 0.128 0.000 1.033 552 T CA 1.921 64.075 62.100 0.090 0.000 1.151 552 T CB -0.820 68.069 68.868 0.034 0.000 0.853 552 T HN 0.848 nan 8.240 nan 0.000 0.466 553 A N 2.224 125.106 122.820 0.103 0.000 1.829 553 A HA -0.215 4.103 4.320 -0.005 0.000 0.216 553 A C 2.229 179.892 177.584 0.132 0.000 1.207 553 A CA 2.105 54.200 52.037 0.096 0.000 0.622 553 A CB -0.877 18.161 19.000 0.063 0.000 0.846 553 A HN 0.761 nan 8.150 nan 0.000 0.447 554 E N -1.097 119.176 120.200 0.120 0.000 2.114 554 E HA -0.290 4.057 4.350 -0.005 0.000 0.199 554 E C 1.872 178.560 176.600 0.146 0.000 1.008 554 E CA 1.743 58.206 56.400 0.105 0.000 0.810 554 E CB -0.721 29.027 29.700 0.081 0.000 0.739 554 E HN 0.604 nan 8.360 nan 0.000 0.456 555 F N 2.490 122.463 119.950 0.039 0.000 2.091 555 F HA -0.157 4.367 4.527 -0.005 0.000 0.299 555 F C 2.377 178.193 175.800 0.026 0.000 1.103 555 F CA 1.797 59.819 58.000 0.036 0.000 1.228 555 F CB -0.275 38.757 39.000 0.053 0.000 0.984 555 F HN -0.191 nan 8.300 nan 0.000 0.477 556 R N 0.315 121.182 120.500 0.613 0.000 2.091 556 R HA -0.138 4.200 4.340 -0.005 0.000 0.238 556 R C 2.540 178.921 176.300 0.135 0.000 1.136 556 R CA 1.305 57.645 56.100 0.401 0.000 0.959 556 R CB -1.019 29.431 30.300 0.249 0.000 0.856 556 R HN 0.442 nan 8.270 nan 0.000 0.437 557 A N 1.214 124.095 122.820 0.102 0.000 1.903 557 A HA -0.290 4.027 4.320 -0.005 0.000 0.219 557 A C 2.148 179.744 177.584 0.021 0.000 1.191 557 A CA 1.926 53.997 52.037 0.056 0.000 0.638 557 A CB -0.538 18.486 19.000 0.041 0.000 0.823 557 A HN 0.358 nan 8.150 nan 0.000 0.451 558 M N -1.390 118.167 119.600 -0.071 0.000 2.081 558 M HA -0.125 4.352 4.480 -0.005 0.000 0.261 558 M C 2.303 178.515 176.300 -0.146 0.000 1.075 558 M CA 2.162 57.374 55.300 -0.147 0.000 1.133 558 M CB -0.158 32.273 32.600 -0.282 0.000 1.330 558 M HN 0.401 nan 8.290 nan 0.000 0.414 559 R N 0.793 121.104 120.500 -0.316 0.000 2.276 559 R HA -0.191 4.147 4.340 -0.005 0.000 0.243 559 R C 0.865 177.142 176.300 -0.038 0.000 1.161 559 R CA 2.169 58.123 56.100 -0.243 0.000 1.007 559 R CB -0.607 29.552 30.300 -0.235 0.000 0.867 559 R HN 0.467 nan 8.270 nan 0.000 0.472 560 D N -0.992 119.417 120.400 0.014 0.000 2.306 560 D HA -0.091 4.546 4.640 -0.005 0.000 0.239 560 D C 1.279 177.621 176.300 0.071 0.000 1.105 560 D CA 1.313 55.343 54.000 0.051 0.000 0.950 560 D CB -1.047 39.792 40.800 0.065 0.000 1.036 560 D HN 0.122 nan 8.370 nan 0.000 0.428 561 Y N 1.495 121.774 120.300 -0.035 0.000 2.318 561 Y HA -0.407 4.140 4.550 -0.005 0.000 0.271 561 Y C 1.930 177.814 175.900 -0.027 0.000 1.308 561 Y CA 2.034 60.116 58.100 -0.030 0.000 1.120 561 Y CB -0.306 38.128 38.460 -0.043 0.000 0.912 561 Y HN 0.002 nan 8.280 nan 0.000 0.534 562 M N -1.769 117.924 119.600 0.156 0.000 2.294 562 M HA 0.151 4.628 4.480 -0.005 0.000 0.257 562 M C 2.138 178.456 176.300 0.031 0.000 1.151 562 M CA 1.468 56.824 55.300 0.094 0.000 1.088 562 M CB -1.105 31.500 32.600 0.008 0.000 1.168 562 M HN 0.414 nan 8.290 nan 0.000 0.463 563 G N 1.011 109.835 108.800 0.039 0.000 3.035 563 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.242 563 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.242 563 G C 0.257 175.181 174.900 0.039 0.000 1.524 563 G CA 0.208 45.322 45.100 0.025 0.000 1.038 563 G HN 0.599 nan 8.290 nan 0.000 0.561 564 D N 0.728 121.142 120.400 0.024 0.000 2.218 564 D HA -0.071 4.566 4.640 -0.005 0.000 0.204 564 D C 2.196 178.520 176.300 0.041 0.000 0.976 564 D CA 1.944 55.958 54.000 0.023 0.000 0.853 564 D CB -0.638 40.166 40.800 0.006 0.000 0.939 564 D HN 0.481 nan 8.370 nan 0.000 0.481 565 T N 0.802 115.396 114.554 0.068 0.000 2.915 565 T HA 0.085 4.432 4.350 -0.005 0.000 0.269 565 T C 1.244 176.035 174.700 0.153 0.000 1.071 565 T CA 0.896 63.060 62.100 0.106 0.000 1.132 565 T CB -0.023 68.964 68.868 0.198 0.000 0.878 565 T HN 0.329 nan 8.240 nan 0.000 0.479 566 A N 0.862 123.779 122.820 0.162 0.000 2.246 566 A HA 0.819 5.136 4.320 -0.005 0.000 0.291 566 A C -0.024 177.623 177.584 0.104 0.000 1.103 566 A CA -0.333 51.803 52.037 0.165 0.000 0.844 566 A CB 0.486 19.558 19.000 0.120 0.000 1.136 566 A HN 0.534 nan 8.150 nan 0.000 0.500 567 A N 0.258 123.140 122.820 0.102 0.000 2.488 567 A HA 0.615 4.932 4.320 -0.005 0.000 0.295 567 A C -1.019 176.614 177.584 0.081 0.000 1.045 567 A CA -0.510 51.573 52.037 0.076 0.000 0.703 567 A CB 0.981 20.019 19.000 0.064 0.000 1.271 567 A HN 0.744 nan 8.150 nan 0.000 0.400 568 E N 2.102 122.344 120.200 0.069 0.000 2.158 568 E HA 0.506 4.854 4.350 -0.005 0.000 0.271 568 E C -0.903 175.732 176.600 0.058 0.000 0.911 568 E CA -0.760 55.685 56.400 0.074 0.000 0.767 568 E CB 1.799 31.542 29.700 0.072 0.000 1.120 568 E HN 0.494 nan 8.360 nan 0.000 0.405 569 I N 1.708 122.314 120.570 0.060 0.000 2.525 569 I HA 0.148 4.315 4.170 -0.005 0.000 0.301 569 I C 0.122 176.267 176.117 0.047 0.000 0.992 569 I CA -1.274 60.053 61.300 0.045 0.000 1.162 569 I CB 1.192 39.215 38.000 0.039 0.000 1.332 569 I HN 0.466 nan 8.210 nan 0.000 0.458 570 D N 4.667 125.091 120.400 0.039 0.000 2.422 570 D HA 0.292 4.929 4.640 -0.005 0.000 0.227 570 D C 0.356 176.689 176.300 0.055 0.000 1.190 570 D CA -0.362 53.666 54.000 0.045 0.000 0.905 570 D CB 0.818 41.640 40.800 0.037 0.000 1.034 570 D HN 0.593 nan 8.370 nan 0.000 0.507 571 A N 3.715 126.576 122.820 0.068 0.000 2.810 571 A HA 0.261 4.578 4.320 -0.005 0.000 0.247 571 A C 0.551 178.208 177.584 0.120 0.000 1.576 571 A CA -0.104 51.980 52.037 0.078 0.000 1.294 571 A CB -0.386 18.661 19.000 0.078 0.000 0.976 571 A HN 0.458 nan 8.150 nan 0.000 0.631 572 T N -0.181 114.447 114.554 0.124 0.000 2.916 572 T HA 0.704 5.051 4.350 -0.005 0.000 0.292 572 T C -0.865 173.993 174.700 0.263 0.000 1.064 572 T CA -0.276 61.928 62.100 0.174 0.000 1.011 572 T CB 1.121 70.037 68.868 0.080 0.000 1.152 572 T HN 0.549 nan 8.240 nan 0.000 0.510 573 F N 0.502 120.425 119.950 -0.045 0.000 2.613 573 F HA 0.825 5.349 4.527 -0.005 0.000 0.314 573 F C -2.958 172.786 175.800 -0.093 0.000 1.075 573 F CA -3.040 54.923 58.000 -0.061 0.000 0.945 573 F CB 0.375 39.340 39.000 -0.058 0.000 1.310 573 F HN 0.220 nan 8.300 nan 0.000 0.467 574 P HA 0.112 nan 4.420 nan 0.000 0.272 574 P C 0.122 177.322 177.300 -0.167 0.000 1.230 574 P CA -0.218 62.819 63.100 -0.105 0.000 0.788 574 P CB 2.210 33.913 31.700 0.005 0.000 0.949 575 V N 1.241 121.031 119.914 -0.206 0.000 2.922 575 V HA -0.106 4.011 4.120 -0.005 0.000 0.242 575 V C 2.076 178.136 176.094 -0.057 0.000 1.094 575 V CA 1.846 64.029 62.300 -0.196 0.000 1.106 575 V CB -1.301 30.389 31.823 -0.222 0.000 0.799 575 V HN 0.546 nan 8.190 nan 0.000 0.474 576 D N 1.555 121.926 120.400 -0.049 0.000 2.218 576 D HA -0.126 4.511 4.640 -0.005 0.000 0.204 576 D C 2.074 178.378 176.300 0.007 0.000 0.976 576 D CA 1.205 55.195 54.000 -0.017 0.000 0.853 576 D CB -0.615 40.174 40.800 -0.020 0.000 0.939 576 D HN 0.331 nan 8.370 nan 0.000 0.481 577 G N 0.442 109.257 108.800 0.025 0.000 2.717 577 G HA2 -0.020 3.937 3.960 -0.005 0.000 0.224 577 G HA3 -0.020 3.937 3.960 -0.005 0.000 0.224 577 G C 1.027 175.954 174.900 0.046 0.000 1.088 577 G CA 1.121 46.255 45.100 0.055 0.000 0.734 577 G HN 0.938 nan 8.290 nan 0.000 0.616 578 G N -1.717 107.107 108.800 0.041 0.000 2.655 578 G HA2 0.032 3.989 3.960 -0.005 0.000 0.680 578 G HA3 0.032 3.989 3.960 -0.005 0.000 0.680 578 G C -1.421 173.495 174.900 0.026 0.000 1.302 578 G CA -0.096 45.020 45.100 0.026 0.000 0.872 578 G HN 0.122 nan 8.290 nan 0.000 0.540 579 P HA 0.062 nan 4.420 nan 0.000 0.222 579 P C 1.110 178.400 177.300 -0.016 0.000 1.147 579 P CA 1.388 64.488 63.100 -0.001 0.000 0.790 579 P CB 0.189 31.887 31.700 -0.005 0.000 0.780 580 E N -1.241 118.949 120.200 -0.018 0.000 2.476 580 E HA 0.234 4.582 4.350 -0.005 0.000 0.196 580 E C 1.755 178.317 176.600 -0.063 0.000 1.029 580 E CA -0.031 56.344 56.400 -0.040 0.000 0.896 580 E CB -0.500 29.182 29.700 -0.029 0.000 1.012 580 E HN 0.081 nan 8.360 nan 0.000 0.475 581 A N 1.485 124.285 122.820 -0.034 0.000 1.909 581 A HA -0.261 4.057 4.320 -0.005 0.000 0.221 581 A C 2.131 179.568 177.584 -0.246 0.000 1.223 581 A CA 1.876 53.898 52.037 -0.024 0.000 0.658 581 A CB -0.626 18.477 19.000 0.171 0.000 0.831 581 A HN 0.314 nan 8.150 nan 0.000 0.462 582 L N -0.654 120.290 121.223 -0.465 0.000 2.005 582 L HA -0.098 4.239 4.340 -0.005 0.000 0.207 582 L C 2.423 179.081 176.870 -0.354 0.000 1.072 582 L CA 2.408 56.830 54.840 -0.698 0.000 0.744 582 L CB -0.868 40.813 42.059 -0.631 0.000 0.895 582 L HN 0.480 nan 8.230 nan 0.000 0.433 583 R N -0.194 120.177 120.500 -0.216 0.000 2.143 583 R HA -0.259 4.078 4.340 -0.005 0.000 0.239 583 R C 1.780 178.021 176.300 -0.099 0.000 1.126 583 R CA 2.565 58.593 56.100 -0.120 0.000 0.927 583 R CB -0.646 29.610 30.300 -0.073 0.000 0.860 583 R HN 0.537 nan 8.270 nan 0.000 0.433 584 D N -0.361 119.987 120.400 -0.087 0.000 2.309 584 D HA -0.102 4.535 4.640 -0.005 0.000 0.212 584 D C 1.463 177.727 176.300 -0.061 0.000 0.968 584 D CA 1.104 55.070 54.000 -0.057 0.000 0.882 584 D CB -0.092 40.687 40.800 -0.036 0.000 0.918 584 D HN 0.410 nan 8.370 nan 0.000 0.503 585 A N 0.318 123.077 122.820 -0.101 0.000 1.898 585 A HA 0.009 4.326 4.320 -0.005 0.000 0.214 585 A C 2.133 179.667 177.584 -0.084 0.000 1.183 585 A CA 0.496 52.483 52.037 -0.083 0.000 0.622 585 A CB -0.664 18.253 19.000 -0.139 0.000 0.824 585 A HN 0.192 nan 8.150 nan 0.000 0.444 586 L N -0.773 120.378 121.223 -0.119 0.000 2.017 586 L HA -0.213 4.124 4.340 -0.005 0.000 0.208 586 L C 2.905 179.733 176.870 -0.071 0.000 1.073 586 L CA 1.450 56.226 54.840 -0.106 0.000 0.745 586 L CB -0.436 41.544 42.059 -0.131 0.000 0.894 586 L HN 0.375 nan 8.230 nan 0.000 0.432 587 R N -0.562 119.906 120.500 -0.053 0.000 2.097 587 R HA -0.224 4.114 4.340 -0.005 0.000 0.236 587 R C 2.424 178.682 176.300 -0.070 0.000 1.135 587 R CA 1.687 57.757 56.100 -0.051 0.000 0.934 587 R CB -0.498 29.782 30.300 -0.032 0.000 0.846 587 R HN 0.247 nan 8.270 nan 0.000 0.431 588 R N 1.091 121.560 120.500 -0.051 0.000 2.119 588 R HA -0.207 4.130 4.340 -0.005 0.000 0.246 588 R C 2.398 178.666 176.300 -0.053 0.000 1.146 588 R CA 2.291 58.366 56.100 -0.042 0.000 0.962 588 R CB -0.463 29.822 30.300 -0.024 0.000 0.863 588 R HN 0.370 nan 8.270 nan 0.000 0.442 589 I N -2.148 118.386 120.570 -0.060 0.000 2.353 589 I HA -0.125 4.042 4.170 -0.005 0.000 0.248 589 I C 2.287 178.342 176.117 -0.103 0.000 1.119 589 I CA 0.994 62.260 61.300 -0.056 0.000 1.417 589 I CB -0.350 37.629 38.000 -0.035 0.000 1.078 589 I HN -0.041 nan 8.210 nan 0.000 0.421 590 R N 0.741 121.135 120.500 -0.176 0.000 2.082 590 R HA -0.223 4.114 4.340 -0.005 0.000 0.234 590 R C 2.481 178.568 176.300 -0.355 0.000 1.136 590 R CA 2.220 58.091 56.100 -0.381 0.000 0.935 590 R CB -0.538 29.442 30.300 -0.534 0.000 0.842 590 R HN 0.385 nan 8.270 nan 0.000 0.430 591 Q N 1.094 120.760 119.800 -0.223 0.000 2.029 591 Q HA -0.234 4.103 4.340 -0.005 0.000 0.209 591 Q C 1.681 177.651 176.000 -0.049 0.000 0.999 591 Q CA 2.251 57.997 55.803 -0.095 0.000 0.857 591 Q CB -0.102 28.609 28.738 -0.046 0.000 0.926 591 Q HN 0.391 nan 8.270 nan 0.000 0.415 592 E N -1.092 119.082 120.200 -0.043 0.000 2.209 592 E HA -0.165 4.182 4.350 -0.005 0.000 0.196 592 E C 1.812 178.410 176.600 -0.003 0.000 0.993 592 E CA 1.580 57.971 56.400 -0.014 0.000 0.819 592 E CB -0.181 29.515 29.700 -0.008 0.000 0.745 592 E HN 0.484 nan 8.360 nan 0.000 0.477 593 T N 0.867 115.411 114.554 -0.017 0.000 2.942 593 T HA -0.071 4.276 4.350 -0.005 0.000 0.265 593 T C 1.693 176.419 174.700 0.042 0.000 1.062 593 T CA 0.543 62.653 62.100 0.016 0.000 1.139 593 T CB 0.024 68.899 68.868 0.013 0.000 0.883 593 T HN 0.172 nan 8.240 nan 0.000 0.468 594 E N 1.358 121.584 120.200 0.044 0.000 2.012 594 E HA -0.193 4.154 4.350 -0.005 0.000 0.197 594 E C 2.004 178.636 176.600 0.054 0.000 1.007 594 E CA 1.448 57.904 56.400 0.094 0.000 0.816 594 E CB -0.112 29.669 29.700 0.134 0.000 0.762 594 E HN 0.409 nan 8.360 nan 0.000 0.451 595 D N 0.340 120.760 120.400 0.034 0.000 2.133 595 D HA -0.223 4.414 4.640 -0.005 0.000 0.192 595 D C 1.826 178.135 176.300 0.014 0.000 1.001 595 D CA 1.481 55.493 54.000 0.019 0.000 0.844 595 D CB -0.472 40.336 40.800 0.012 0.000 0.944 595 D HN 0.224 nan 8.370 nan 0.000 0.447 596 A N 0.727 123.559 122.820 0.020 0.000 1.908 596 A HA -0.157 4.160 4.320 -0.005 0.000 0.218 596 A C 2.600 180.192 177.584 0.014 0.000 1.181 596 A CA 1.604 53.653 52.037 0.019 0.000 0.627 596 A CB -0.715 18.304 19.000 0.032 0.000 0.818 596 A HN 0.187 nan 8.150 nan 0.000 0.445 597 V N 0.056 119.987 119.914 0.028 0.000 2.379 597 V HA -0.194 3.924 4.120 -0.005 0.000 0.245 597 V C 2.639 178.711 176.094 -0.036 0.000 1.044 597 V CA 1.749 64.063 62.300 0.024 0.000 1.036 597 V CB -0.821 31.052 31.823 0.083 0.000 0.664 597 V HN 0.467 nan 8.190 nan 0.000 0.453 598 R N 0.775 121.258 120.500 -0.028 0.000 2.080 598 R HA -0.139 4.198 4.340 -0.005 0.000 0.236 598 R C 2.532 178.790 176.300 -0.071 0.000 1.137 598 R CA 1.722 57.786 56.100 -0.061 0.000 0.943 598 R CB -1.388 28.898 30.300 -0.023 0.000 0.846 598 R HN 0.558 nan 8.270 nan 0.000 0.431 599 G N -0.455 108.321 108.800 -0.040 0.000 2.532 599 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.222 599 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.222 599 G C 0.972 175.842 174.900 -0.051 0.000 1.102 599 G CA 1.505 46.583 45.100 -0.037 0.000 0.742 599 G HN 0.604 nan 8.290 nan 0.000 0.577 600 G N -2.127 106.633 108.800 -0.066 0.000 2.273 600 G HA2 0.275 4.232 3.960 -0.005 0.000 0.162 600 G HA3 0.275 4.232 3.960 -0.005 0.000 0.162 600 G C 0.377 175.241 174.900 -0.059 0.000 1.006 600 G CA 0.302 45.355 45.100 -0.078 0.000 0.704 600 G HN 1.276 nan 8.290 nan 0.000 0.487 601 A N 0.128 122.927 122.820 -0.035 0.000 2.462 601 A HA 0.653 4.970 4.320 -0.005 0.000 0.243 601 A C 1.249 178.801 177.584 -0.055 0.000 1.076 601 A CA 1.542 53.566 52.037 -0.020 0.000 0.773 601 A CB 0.518 19.527 19.000 0.015 0.000 1.010 601 A HN 0.549 nan 8.150 nan 0.000 0.493 602 T N 1.544 116.014 114.554 -0.139 0.000 2.985 602 T HA 0.211 4.558 4.350 -0.005 0.000 0.254 602 T C -0.025 174.334 174.700 -0.568 0.000 1.021 602 T CA 0.488 62.374 62.100 -0.356 0.000 0.957 602 T CB -0.166 68.414 68.868 -0.480 0.000 1.047 602 T HN 0.740 nan 8.240 nan 0.000 0.511 603 H N -0.432 118.677 119.070 0.066 0.000 2.996 603 H HA 0.595 5.148 4.556 -0.005 0.000 0.368 603 H C -1.340 174.024 175.328 0.060 0.000 1.185 603 H CA -0.553 55.531 56.048 0.059 0.000 1.160 603 H CB 1.799 31.586 29.762 0.041 0.000 1.820 603 H HN -0.118 nan 8.280 nan 0.000 0.547 604 V N 3.396 123.430 119.914 0.200 0.000 2.588 604 V HA 0.354 4.471 4.120 -0.005 0.000 0.304 604 V C 0.055 176.229 176.094 0.133 0.000 1.042 604 V CA -0.586 61.799 62.300 0.142 0.000 0.877 604 V CB 2.228 34.121 31.823 0.117 0.000 0.996 604 V HN 0.524 nan 8.190 nan 0.000 0.425 605 I N 5.327 125.974 120.570 0.128 0.000 2.330 605 I HA 0.420 4.587 4.170 -0.005 0.000 0.289 605 I C -0.479 175.715 176.117 0.129 0.000 1.001 605 I CA -0.259 61.133 61.300 0.154 0.000 1.193 605 I CB 1.398 39.511 38.000 0.189 0.000 1.345 605 I HN 0.357 nan 8.210 nan 0.000 0.461 606 L N 6.701 127.999 121.223 0.125 0.000 2.307 606 L HA 0.644 4.982 4.340 -0.005 0.000 0.284 606 L C -0.110 176.821 176.870 0.101 0.000 1.023 606 L CA -0.010 54.887 54.840 0.095 0.000 0.810 606 L CB 1.780 43.887 42.059 0.080 0.000 1.231 606 L HN 0.678 nan 8.230 nan 0.000 0.423 607 T N -0.083 114.524 114.554 0.088 0.000 2.843 607 T HA 0.251 4.598 4.350 -0.005 0.000 0.302 607 T C -0.068 174.701 174.700 0.115 0.000 1.232 607 T CA -0.622 61.537 62.100 0.098 0.000 1.009 607 T CB 1.876 70.782 68.868 0.064 0.000 1.254 607 T HN 0.545 nan 8.240 nan 0.000 0.504 608 D N 0.196 120.700 120.400 0.172 0.000 2.262 608 D HA 0.117 4.755 4.640 -0.005 0.000 0.212 608 D C 1.690 178.112 176.300 0.203 0.000 0.964 608 D CA 0.721 54.865 54.000 0.240 0.000 0.875 608 D CB 0.184 41.234 40.800 0.416 0.000 0.996 608 D HN 0.767 nan 8.370 nan 0.000 0.497 609 E N 1.093 121.354 120.200 0.101 0.000 2.164 609 E HA -0.261 4.087 4.350 -0.005 0.000 0.233 609 E C 1.519 178.140 176.600 0.035 0.000 1.073 609 E CA 1.782 58.174 56.400 -0.013 0.000 0.941 609 E CB -0.271 29.346 29.700 -0.139 0.000 0.820 609 E HN 0.181 nan 8.360 nan 0.000 0.486 610 A N 0.985 123.820 122.820 0.025 0.000 2.142 610 A HA -0.044 4.274 4.320 -0.005 0.000 0.208 610 A C 0.741 178.339 177.584 0.023 0.000 1.344 610 A CA 0.215 52.263 52.037 0.019 0.000 1.045 610 A CB -0.966 18.039 19.000 0.008 0.000 0.784 610 A HN 0.268 nan 8.150 nan 0.000 0.509 611 M N 0.181 119.819 119.600 0.062 0.000 2.245 611 M HA 0.435 4.912 4.480 -0.005 0.000 0.344 611 M C 0.463 176.769 176.300 0.009 0.000 1.170 611 M CA 0.951 56.277 55.300 0.042 0.000 1.135 611 M CB 0.493 33.163 32.600 0.117 0.000 1.574 611 M HN 0.337 nan 8.290 nan 0.000 0.452 612 G N 3.284 112.019 108.800 -0.109 0.000 2.634 612 G HA2 0.413 4.370 3.960 -0.005 0.000 0.309 612 G HA3 0.413 4.370 3.960 -0.005 0.000 0.309 612 G C -2.942 171.558 174.900 -0.666 0.000 1.299 612 G CA -0.602 44.378 45.100 -0.200 0.000 0.798 612 G HN 0.427 nan 8.290 nan 0.000 0.490 613 P HA 0.068 nan 4.420 nan 0.000 0.229 613 P C 1.351 178.552 177.300 -0.166 0.000 1.160 613 P CA 1.524 64.316 63.100 -0.512 0.000 0.777 613 P CB 0.503 32.178 31.700 -0.042 0.000 0.814 614 A N -0.155 122.576 122.820 -0.149 0.000 2.044 614 A HA 0.123 4.440 4.320 -0.005 0.000 0.213 614 A C 1.323 178.783 177.584 -0.206 0.000 1.169 614 A CA 0.357 52.320 52.037 -0.122 0.000 0.724 614 A CB -0.098 18.849 19.000 -0.090 0.000 0.840 614 A HN 0.073 nan 8.150 nan 0.000 0.463 615 R N -0.230 120.112 120.500 -0.263 0.000 2.473 615 R HA 0.560 4.898 4.340 -0.005 0.000 0.303 615 R C -0.404 175.582 176.300 -0.524 0.000 1.002 615 R CA -0.158 55.721 56.100 -0.368 0.000 0.884 615 R CB 1.752 31.941 30.300 -0.186 0.000 1.173 615 R HN 0.326 nan 8.270 nan 0.000 0.464 616 A N 2.111 124.335 122.820 -0.994 0.000 2.366 616 A HA 0.625 4.942 4.320 -0.005 0.000 0.250 616 A C -0.049 177.299 177.584 -0.393 0.000 1.099 616 A CA -0.177 51.266 52.037 -0.990 0.000 0.794 616 A CB 0.400 18.556 19.000 -1.407 0.000 1.056 616 A HN 0.729 nan 8.150 nan 0.000 0.499 617 A N 0.144 122.970 122.820 0.010 0.000 2.317 617 A HA 0.624 4.941 4.320 -0.005 0.000 0.327 617 A C -0.184 177.635 177.584 0.391 0.000 1.178 617 A CA -0.562 51.626 52.037 0.252 0.000 0.817 617 A CB 0.243 19.480 19.000 0.396 0.000 1.189 617 A HN 0.683 nan 8.150 nan 0.000 0.489 618 I N 2.866 123.635 120.570 0.332 0.000 2.471 618 I HA 0.159 4.326 4.170 -0.005 0.000 0.286 618 I C -1.926 174.280 176.117 0.149 0.000 1.079 618 I CA -1.584 59.844 61.300 0.215 0.000 1.398 618 I CB 1.106 39.163 38.000 0.094 0.000 1.403 618 I HN 0.414 nan 8.210 nan 0.000 0.530 619 P HA -0.099 nan 4.420 nan 0.000 0.250 619 P C 0.628 177.950 177.300 0.035 0.000 1.161 619 P CA 0.267 63.420 63.100 0.088 0.000 0.863 619 P CB 0.562 32.311 31.700 0.082 0.000 0.827 620 A N 4.681 127.518 122.820 0.029 0.000 1.944 620 A HA -0.299 4.018 4.320 -0.005 0.000 0.222 620 A C 1.978 179.521 177.584 -0.069 0.000 1.237 620 A CA 2.052 54.089 52.037 0.001 0.000 0.668 620 A CB -1.471 17.552 19.000 0.038 0.000 0.830 620 A HN 0.508 nan 8.150 nan 0.000 0.471 621 I N -1.402 119.072 120.570 -0.159 0.000 2.091 621 I HA -0.270 3.897 4.170 -0.005 0.000 0.239 621 I C 2.365 178.500 176.117 0.029 0.000 1.061 621 I CA 1.458 62.630 61.300 -0.214 0.000 1.317 621 I CB -0.308 37.439 38.000 -0.421 0.000 1.031 621 I HN 0.361 nan 8.210 nan 0.000 0.401 622 L N 0.671 121.957 121.223 0.105 0.000 2.043 622 L HA -0.250 4.087 4.340 -0.005 0.000 0.212 622 L C 2.496 179.336 176.870 -0.050 0.000 1.075 622 L CA 2.348 57.243 54.840 0.092 0.000 0.752 622 L CB -1.214 40.835 42.059 -0.016 0.000 0.891 622 L HN 0.297 nan 8.230 nan 0.000 0.432 623 A N -2.368 120.430 122.820 -0.036 0.000 1.929 623 A HA -0.153 4.164 4.320 -0.005 0.000 0.216 623 A C 2.231 179.802 177.584 -0.022 0.000 1.176 623 A CA 1.940 53.951 52.037 -0.044 0.000 0.628 623 A CB -0.917 18.075 19.000 -0.013 0.000 0.816 623 A HN 0.468 nan 8.150 nan 0.000 0.444 624 T N -0.131 114.414 114.554 -0.014 0.000 2.788 624 T HA -0.023 4.324 4.350 -0.005 0.000 0.268 624 T C 1.911 176.625 174.700 0.023 0.000 1.044 624 T CA 1.369 63.464 62.100 -0.008 0.000 1.139 624 T CB -0.543 68.291 68.868 -0.057 0.000 0.867 624 T HN 0.565 nan 8.240 nan 0.000 0.454 625 G N 1.420 110.244 108.800 0.040 0.000 2.524 625 G HA2 -0.018 3.939 3.960 -0.005 0.000 0.215 625 G HA3 -0.018 3.939 3.960 -0.005 0.000 0.215 625 G C 1.873 176.773 174.900 -0.001 0.000 1.239 625 G CA 1.016 46.146 45.100 0.049 0.000 0.798 625 G HN 0.535 nan 8.290 nan 0.000 0.557 626 A N -0.051 122.718 122.820 -0.087 0.000 1.906 626 A HA -0.184 4.134 4.320 -0.005 0.000 0.222 626 A C 2.630 180.232 177.584 0.030 0.000 1.282 626 A CA 2.942 54.981 52.037 0.002 0.000 0.675 626 A CB -1.140 17.839 19.000 -0.034 0.000 0.838 626 A HN 0.464 nan 8.150 nan 0.000 0.469 627 V N -0.842 119.084 119.914 0.020 0.000 2.343 627 V HA -0.278 3.839 4.120 -0.005 0.000 0.247 627 V C 2.430 178.596 176.094 0.119 0.000 1.051 627 V CA 2.688 65.013 62.300 0.042 0.000 1.036 627 V CB -1.049 30.793 31.823 0.032 0.000 0.654 627 V HN 0.865 nan 8.190 nan 0.000 0.451 628 H N 1.127 120.207 119.070 0.017 0.000 2.276 628 H HA -0.161 4.393 4.556 -0.005 0.000 0.301 628 H C 2.512 177.844 175.328 0.008 0.000 1.073 628 H CA 2.672 58.729 56.048 0.015 0.000 1.311 628 H CB -0.605 29.151 29.762 -0.010 0.000 1.379 628 H HN 0.542 nan 8.280 nan 0.000 0.494 629 T N -1.541 113.020 114.554 0.011 0.000 2.544 629 T HA -0.382 3.965 4.350 -0.005 0.000 0.264 629 T C 1.954 176.613 174.700 -0.069 0.000 1.096 629 T CA 2.114 64.151 62.100 -0.104 0.000 1.181 629 T CB -1.328 67.513 68.868 -0.044 0.000 0.864 629 T HN 0.704 nan 8.240 nan 0.000 0.415 630 H N 1.435 120.452 119.070 -0.090 0.000 2.255 630 H HA -0.088 4.465 4.556 -0.005 0.000 0.290 630 H C 2.368 177.652 175.328 -0.073 0.000 1.087 630 H CA 2.214 58.219 56.048 -0.070 0.000 1.213 630 H CB -0.566 29.175 29.762 -0.036 0.000 1.349 630 H HN 0.219 nan 8.280 nan 0.000 0.487 631 L N 0.160 121.497 121.223 0.190 0.000 2.151 631 L HA -0.248 4.089 4.340 -0.005 0.000 0.215 631 L C 2.366 179.196 176.870 -0.067 0.000 1.084 631 L CA 1.207 56.098 54.840 0.085 0.000 0.764 631 L CB -0.622 41.484 42.059 0.079 0.000 0.891 631 L HN 0.511 nan 8.230 nan 0.000 0.435 632 I N -0.330 120.136 120.570 -0.173 0.000 2.162 632 I HA -0.235 3.932 4.170 -0.005 0.000 0.238 632 I C 2.662 178.684 176.117 -0.158 0.000 1.076 632 I CA 1.188 62.360 61.300 -0.213 0.000 1.353 632 I CB -1.032 36.772 38.000 -0.327 0.000 1.063 632 I HN 0.312 nan 8.210 nan 0.000 0.408 633 R N 1.048 121.445 120.500 -0.173 0.000 2.153 633 R HA -0.169 4.168 4.340 -0.005 0.000 0.252 633 R C 1.396 177.592 176.300 -0.173 0.000 1.158 633 R CA 1.852 57.849 56.100 -0.171 0.000 0.975 633 R CB -0.648 29.532 30.300 -0.201 0.000 0.871 633 R HN 0.477 nan 8.270 nan 0.000 0.450 634 S N 0.651 116.232 115.700 -0.198 0.000 2.506 634 S HA 0.162 4.629 4.470 -0.005 0.000 0.245 634 S C -0.098 174.476 174.600 -0.044 0.000 1.088 634 S CA -0.683 57.433 58.200 -0.140 0.000 1.099 634 S CB -0.121 62.956 63.200 -0.205 0.000 0.805 634 S HN 0.232 nan 8.310 nan 0.000 0.461 635 N N 0.803 119.477 118.700 -0.043 0.000 2.714 635 N HA -0.137 4.600 4.740 -0.005 0.000 0.252 635 N C -0.173 175.380 175.510 0.072 0.000 1.014 635 N CA 0.472 53.521 53.050 -0.001 0.000 0.735 635 N CB -0.728 37.777 38.487 0.030 0.000 0.924 635 N HN 0.377 nan 8.380 nan 0.000 0.540 636 L N -0.579 120.686 121.223 0.069 0.000 2.730 636 L HA 0.164 4.501 4.340 -0.005 0.000 0.236 636 L C 2.241 179.184 176.870 0.121 0.000 1.061 636 L CA 0.666 55.635 54.840 0.216 0.000 0.898 636 L CB -0.553 41.619 42.059 0.189 0.000 1.270 636 L HN 0.054 nan 8.230 nan 0.000 0.500 637 R N -0.101 120.416 120.500 0.027 0.000 2.154 637 R HA -0.189 4.149 4.340 -0.005 0.000 0.248 637 R C 1.993 178.279 176.300 -0.023 0.000 1.155 637 R CA 2.104 58.220 56.100 0.027 0.000 0.979 637 R CB -0.837 29.444 30.300 -0.032 0.000 0.869 637 R HN 0.225 nan 8.270 nan 0.000 0.452 638 T N -0.921 113.513 114.554 -0.199 0.000 3.113 638 T HA -0.031 4.316 4.350 -0.005 0.000 0.263 638 T C 0.826 175.277 174.700 -0.415 0.000 1.143 638 T CA 0.803 62.703 62.100 -0.334 0.000 1.090 638 T CB -0.251 68.329 68.868 -0.479 0.000 0.922 638 T HN 0.235 nan 8.240 nan 0.000 0.521 639 F N 1.588 121.552 119.950 0.024 0.000 2.387 639 F HA 0.245 4.769 4.527 -0.004 0.000 0.294 639 F C 1.589 177.374 175.800 -0.025 0.000 1.093 639 F CA 0.168 58.169 58.000 -0.000 0.000 1.420 639 F CB -0.364 38.635 39.000 -0.003 0.000 1.086 639 F HN 0.121 nan 8.300 nan 0.000 0.531 640 T N -1.741 112.902 114.554 0.148 0.000 2.910 640 T HA 0.552 4.899 4.350 -0.005 0.000 0.287 640 T C -0.095 174.673 174.700 0.113 0.000 1.050 640 T CA -0.899 61.248 62.100 0.078 0.000 1.011 640 T CB 1.550 70.481 68.868 0.104 0.000 1.195 640 T HN 0.005 nan 8.240 nan 0.000 0.540 641 S N 0.179 115.981 115.700 0.170 0.000 2.617 641 S HA 0.681 5.148 4.470 -0.005 0.000 0.283 641 S C -0.691 174.020 174.600 0.184 0.000 1.189 641 S CA -0.945 57.377 58.200 0.203 0.000 1.036 641 S CB 0.761 64.139 63.200 0.297 0.000 1.014 641 S HN 0.799 nan 8.310 nan 0.000 0.522 642 L N 2.086 123.401 121.223 0.153 0.000 2.342 642 L HA 0.643 4.980 4.340 -0.005 0.000 0.276 642 L C -1.807 175.124 176.870 0.102 0.000 0.997 642 L CA -0.417 54.503 54.840 0.133 0.000 0.838 642 L CB 1.052 43.199 42.059 0.147 0.000 1.224 642 L HN 0.803 nan 8.230 nan 0.000 0.416 643 N N 3.855 122.618 118.700 0.106 0.000 2.314 643 N HA 0.665 5.402 4.740 -0.005 0.000 0.294 643 N C -1.352 174.243 175.510 0.142 0.000 1.029 643 N CA -0.609 52.508 53.050 0.111 0.000 0.845 643 N CB 2.480 41.023 38.487 0.095 0.000 1.321 643 N HN 0.264 nan 8.380 nan 0.000 0.481 644 V N 1.544 121.535 119.914 0.128 0.000 2.581 644 V HA 0.546 4.663 4.120 -0.005 0.000 0.303 644 V C 0.009 176.189 176.094 0.143 0.000 1.041 644 V CA -0.824 61.542 62.300 0.110 0.000 0.907 644 V CB 1.479 33.323 31.823 0.036 0.000 0.994 644 V HN 0.573 nan 8.190 nan 0.000 0.442 645 R N 1.830 122.416 120.500 0.143 0.000 2.393 645 R HA 0.666 5.003 4.340 -0.005 0.000 0.315 645 R C -0.677 175.752 176.300 0.216 0.000 0.952 645 R CA -0.386 55.818 56.100 0.174 0.000 0.842 645 R CB 2.053 32.400 30.300 0.079 0.000 1.163 645 R HN 0.758 nan 8.270 nan 0.000 0.450 646 T N 0.304 114.924 114.554 0.111 0.000 2.893 646 T HA 0.509 4.856 4.350 -0.005 0.000 0.293 646 T C 0.432 174.876 174.700 -0.426 0.000 1.027 646 T CA -0.204 61.862 62.100 -0.058 0.000 0.988 646 T CB 1.852 70.666 68.868 -0.091 0.000 1.043 646 T HN 0.613 nan 8.240 nan 0.000 0.461 647 A N 2.586 125.170 122.820 -0.394 0.000 1.901 647 A HA 0.238 4.555 4.320 -0.005 0.000 0.210 647 A C 1.773 179.164 177.584 -0.321 0.000 1.208 647 A CA 0.979 52.743 52.037 -0.456 0.000 0.644 647 A CB -0.662 18.489 19.000 0.251 0.000 0.863 647 A HN 0.907 nan 8.150 nan 0.000 0.454 648 E N 0.435 120.154 120.200 -0.801 0.000 2.515 648 E HA 0.029 4.376 4.350 -0.005 0.000 0.201 648 E C 0.756 176.781 176.600 -0.959 0.000 1.071 648 E CA 0.244 56.003 56.400 -1.070 0.000 0.880 648 E CB -0.334 28.402 29.700 -1.607 0.000 0.828 648 E HN 0.442 nan 8.360 nan 0.000 0.540 649 G N 0.819 109.120 108.800 -0.832 0.000 2.333 649 G HA2 0.347 4.304 3.960 -0.005 0.000 0.290 649 G HA3 0.347 4.304 3.960 -0.005 0.000 0.290 649 G C -0.000 174.779 174.900 -0.202 0.000 1.150 649 G CA -0.503 44.089 45.100 -0.846 0.000 0.895 649 G HN 0.234 nan 8.290 nan 0.000 0.444 650 L N 1.525 122.732 121.223 -0.027 0.000 2.666 650 L HA 0.382 4.719 4.340 -0.005 0.000 0.184 650 L C 0.471 177.561 176.870 0.368 0.000 1.092 650 L CA 0.602 55.578 54.840 0.227 0.000 0.857 650 L CB 0.180 42.347 42.059 0.179 0.000 1.281 650 L HN 0.561 nan 8.230 nan 0.000 0.489 651 D N -1.803 118.821 120.400 0.374 0.000 2.440 651 D HA 0.207 4.844 4.640 -0.005 0.000 0.258 651 D C 1.188 177.668 176.300 0.301 0.000 1.092 651 D CA 0.337 54.520 54.000 0.304 0.000 1.016 651 D CB 0.016 41.033 40.800 0.362 0.000 1.141 651 D HN 0.228 nan 8.370 nan 0.000 0.552 652 T N -2.721 111.919 114.554 0.144 0.000 2.620 652 T HA -0.371 3.976 4.350 -0.005 0.000 0.267 652 T C 1.683 176.578 174.700 0.326 0.000 1.044 652 T CA 1.876 64.048 62.100 0.120 0.000 1.161 652 T CB -1.014 67.898 68.868 0.074 0.000 0.862 652 T HN 0.589 nan 8.240 nan 0.000 0.438 653 H N -0.066 119.176 119.070 0.286 0.000 2.254 653 H HA -0.194 4.360 4.556 -0.005 0.000 0.294 653 H C 2.237 177.708 175.328 0.238 0.000 1.071 653 H CA 2.410 58.599 56.048 0.236 0.000 1.228 653 H CB -0.669 29.162 29.762 0.115 0.000 1.358 653 H HN 0.429 nan 8.280 nan 0.000 0.495 654 Y N 0.245 120.754 120.300 0.349 0.000 2.133 654 Y HA -0.342 4.206 4.550 -0.005 0.000 0.279 654 Y C 2.547 178.512 175.900 0.108 0.000 1.209 654 Y CA 2.201 60.410 58.100 0.181 0.000 1.152 654 Y CB -0.646 37.935 38.460 0.201 0.000 0.961 654 Y HN 0.171 nan 8.280 nan 0.000 0.512 655 F N -1.085 118.971 119.950 0.177 0.000 2.075 655 F HA -0.192 4.332 4.527 -0.005 0.000 0.297 655 F C 2.562 178.356 175.800 -0.009 0.000 1.113 655 F CA 1.183 59.234 58.000 0.085 0.000 1.218 655 F CB -1.475 37.572 39.000 0.078 0.000 0.984 655 F HN 0.073 nan 8.300 nan 0.000 0.472 656 A N 0.296 123.253 122.820 0.227 0.000 1.870 656 A HA -0.242 4.075 4.320 -0.005 0.000 0.219 656 A C 2.453 180.083 177.584 0.078 0.000 1.224 656 A CA 2.716 54.878 52.037 0.209 0.000 0.650 656 A CB -1.439 17.724 19.000 0.271 0.000 0.836 656 A HN 0.176 nan 8.150 nan 0.000 0.454 657 V N -0.495 119.167 119.914 -0.419 0.000 2.215 657 V HA -0.317 3.800 4.120 -0.005 0.000 0.249 657 V C 2.447 178.229 176.094 -0.519 0.000 1.054 657 V CA 2.293 64.049 62.300 -0.906 0.000 1.012 657 V CB -0.959 30.118 31.823 -1.244 0.000 0.639 657 V HN 0.558 nan 8.190 nan 0.000 0.448 658 L N -0.644 120.279 121.223 -0.500 0.000 2.026 658 L HA -0.301 4.036 4.340 -0.005 0.000 0.231 658 L C 2.215 178.973 176.870 -0.187 0.000 1.095 658 L CA 2.268 56.901 54.840 -0.345 0.000 0.810 658 L CB -0.872 41.017 42.059 -0.283 0.000 0.909 658 L HN 0.257 nan 8.230 nan 0.000 0.444 659 I N -1.012 119.523 120.570 -0.059 0.000 2.113 659 I HA -0.274 3.894 4.170 -0.005 0.000 0.242 659 I C 1.635 177.777 176.117 0.041 0.000 1.064 659 I CA 1.798 63.127 61.300 0.048 0.000 1.320 659 I CB -0.910 37.199 38.000 0.181 0.000 1.028 659 I HN 0.472 nan 8.210 nan 0.000 0.406 660 G N -0.068 108.788 108.800 0.092 0.000 3.709 660 G HA2 0.343 4.300 3.960 -0.005 0.000 0.272 660 G HA3 0.343 4.300 3.960 -0.005 0.000 0.272 660 G C 0.414 175.226 174.900 -0.147 0.000 1.259 660 G CA -0.014 45.050 45.100 -0.060 0.000 1.512 660 G HN 0.249 nan 8.290 nan 0.000 0.625 661 V N -0.933 118.859 119.914 -0.203 0.000 3.537 661 V HA 0.447 4.564 4.120 -0.005 0.000 0.315 661 V C 1.310 177.211 176.094 -0.322 0.000 1.541 661 V CA 0.437 62.616 62.300 -0.201 0.000 1.160 661 V CB 0.112 31.793 31.823 -0.236 0.000 0.998 661 V HN 0.619 nan 8.190 nan 0.000 0.473 662 G N 0.569 109.064 108.800 -0.508 0.000 4.241 662 G HA2 0.160 4.117 3.960 -0.005 0.000 0.193 662 G HA3 0.160 4.117 3.960 -0.005 0.000 0.193 662 G C 0.590 175.306 174.900 -0.307 0.000 1.789 662 G CA 0.200 44.790 45.100 -0.851 0.000 1.025 662 G HN 1.242 nan 8.290 nan 0.000 0.346 663 A N 0.775 123.505 122.820 -0.151 0.000 2.602 663 A HA 0.336 4.653 4.320 -0.005 0.000 0.256 663 A C 1.482 179.081 177.584 0.025 0.000 0.956 663 A CA 1.972 53.986 52.037 -0.040 0.000 0.878 663 A CB -0.053 18.917 19.000 -0.050 0.000 0.834 663 A HN 0.994 nan 8.150 nan 0.000 0.473 664 T N 1.237 115.824 114.554 0.054 0.000 3.010 664 T HA 0.173 4.521 4.350 -0.005 0.000 0.252 664 T C 0.757 175.492 174.700 0.059 0.000 1.047 664 T CA 1.748 63.888 62.100 0.067 0.000 1.140 664 T CB 0.098 69.008 68.868 0.070 0.000 0.885 664 T HN 0.783 nan 8.240 nan 0.000 0.464 665 T N 1.165 115.755 114.554 0.059 0.000 2.993 665 T HA 0.619 4.967 4.350 -0.005 0.000 0.312 665 T C -1.545 173.205 174.700 0.083 0.000 1.115 665 T CA -0.432 61.712 62.100 0.072 0.000 1.027 665 T CB 1.978 70.878 68.868 0.055 0.000 1.116 665 T HN -0.147 nan 8.240 nan 0.000 0.464 666 V N 4.216 124.189 119.914 0.097 0.000 2.914 666 V HA 0.698 4.815 4.120 -0.005 0.000 0.314 666 V C -0.585 175.586 176.094 0.129 0.000 1.084 666 V CA -0.951 61.368 62.300 0.033 0.000 0.963 666 V CB 2.226 33.931 31.823 -0.196 0.000 1.025 666 V HN 0.861 nan 8.190 nan 0.000 0.432 667 N N 2.691 121.450 118.700 0.098 0.000 2.558 667 N HA 0.439 5.176 4.740 -0.005 0.000 0.285 667 N C -0.906 174.668 175.510 0.106 0.000 1.112 667 N CA -0.279 52.877 53.050 0.178 0.000 0.857 667 N CB 2.073 40.697 38.487 0.228 0.000 1.376 667 N HN 0.802 nan 8.380 nan 0.000 0.526 668 A N 3.888 126.807 122.820 0.165 0.000 2.415 668 A HA 0.249 4.566 4.320 -0.005 0.000 0.309 668 A C 0.212 177.814 177.584 0.031 0.000 1.356 668 A CA -0.571 51.499 52.037 0.056 0.000 0.998 668 A CB -0.497 18.656 19.000 0.254 0.000 1.145 668 A HN 0.778 nan 8.150 nan 0.000 0.545 669 Y N 1.783 122.083 120.300 0.002 0.000 2.503 669 Y HA 0.286 4.833 4.550 -0.005 0.000 0.278 669 Y C 0.788 176.680 175.900 -0.013 0.000 1.111 669 Y CA -0.024 58.059 58.100 -0.029 0.000 1.270 669 Y CB 0.138 38.543 38.460 -0.092 0.000 1.063 669 Y HN 0.390 nan 8.280 nan 0.000 0.548 670 L N 0.892 121.860 121.223 -0.425 0.000 2.851 670 L HA 0.501 4.838 4.340 -0.005 0.000 0.237 670 L C 0.662 177.475 176.870 -0.096 0.000 1.257 670 L CA 0.641 55.370 54.840 -0.186 0.000 1.061 670 L CB -0.048 41.840 42.059 -0.285 0.000 1.372 670 L HN 0.542 nan 8.230 nan 0.000 0.493 671 A N -1.400 121.364 122.820 -0.093 0.000 1.999 671 A HA 0.006 4.323 4.320 -0.005 0.000 0.190 671 A C 1.740 179.216 177.584 -0.180 0.000 1.737 671 A CA -0.076 51.893 52.037 -0.113 0.000 1.257 671 A CB 0.111 19.050 19.000 -0.102 0.000 1.401 671 A HN 0.369 nan 8.150 nan 0.000 0.430 672 Q N 0.035 119.751 119.800 -0.141 0.000 2.119 672 Q HA -0.184 4.153 4.340 -0.005 0.000 0.201 672 Q C 1.750 177.710 176.000 -0.068 0.000 0.972 672 Q CA 1.856 57.574 55.803 -0.140 0.000 0.847 672 Q CB 0.038 28.750 28.738 -0.045 0.000 0.903 672 Q HN 0.680 nan 8.270 nan 0.000 0.433 673 E N 0.155 120.345 120.200 -0.016 0.000 2.007 673 E HA -0.154 4.194 4.350 -0.005 0.000 0.194 673 E C 1.797 178.405 176.600 0.015 0.000 0.999 673 E CA 1.457 57.867 56.400 0.016 0.000 0.811 673 E CB -0.282 29.447 29.700 0.049 0.000 0.762 673 E HN 0.429 nan 8.360 nan 0.000 0.450 674 A N 0.455 123.280 122.820 0.007 0.000 1.971 674 A HA -0.265 4.052 4.320 -0.005 0.000 0.222 674 A C 2.251 179.872 177.584 0.061 0.000 1.182 674 A CA 1.801 53.858 52.037 0.033 0.000 0.649 674 A CB -0.921 18.099 19.000 0.033 0.000 0.818 674 A HN 0.341 nan 8.150 nan 0.000 0.458 675 I N -0.571 120.006 120.570 0.011 0.000 2.113 675 I HA -0.299 3.868 4.170 -0.005 0.000 0.238 675 I C 3.008 179.216 176.117 0.151 0.000 1.070 675 I CA 1.142 62.473 61.300 0.052 0.000 1.332 675 I CB -0.478 37.446 38.000 -0.127 0.000 1.044 675 I HN 0.380 nan 8.210 nan 0.000 0.402 676 A N 0.360 123.222 122.820 0.070 0.000 1.870 676 A HA -0.363 3.954 4.320 -0.005 0.000 0.219 676 A C 2.326 180.010 177.584 0.167 0.000 1.224 676 A CA 2.424 54.523 52.037 0.105 0.000 0.650 676 A CB -0.966 18.065 19.000 0.051 0.000 0.836 676 A HN 0.512 nan 8.150 nan 0.000 0.454 677 E N -0.081 120.188 120.200 0.115 0.000 2.048 677 E HA -0.263 4.084 4.350 -0.005 0.000 0.202 677 E C 2.270 178.945 176.600 0.126 0.000 1.021 677 E CA 1.688 58.147 56.400 0.098 0.000 0.825 677 E CB -0.403 29.334 29.700 0.063 0.000 0.756 677 E HN 0.568 nan 8.360 nan 0.000 0.454 678 R N -0.410 120.191 120.500 0.167 0.000 2.113 678 R HA -0.194 4.143 4.340 -0.005 0.000 0.244 678 R C 2.543 178.959 176.300 0.192 0.000 1.142 678 R CA 1.727 57.925 56.100 0.164 0.000 0.953 678 R CB -0.860 29.638 30.300 0.329 0.000 0.860 678 R HN 0.472 nan 8.270 nan 0.000 0.438 679 H N 0.472 119.700 119.070 0.264 0.000 2.547 679 H HA 0.039 4.592 4.556 -0.005 0.000 0.272 679 H C 1.755 177.158 175.328 0.125 0.000 0.989 679 H CA 0.850 57.066 56.048 0.280 0.000 1.214 679 H CB 0.220 30.172 29.762 0.316 0.000 1.389 679 H HN 0.110 nan 8.280 nan 0.000 0.577 680 R N 0.564 121.171 120.500 0.178 0.000 2.062 680 R HA 0.019 4.356 4.340 -0.005 0.000 0.226 680 R C 1.486 177.777 176.300 -0.016 0.000 1.125 680 R CA 0.785 56.934 56.100 0.081 0.000 0.966 680 R CB 0.127 30.484 30.300 0.095 0.000 0.861 680 R HN 0.323 nan 8.270 nan 0.000 0.433 681 R N 0.746 121.236 120.500 -0.016 0.000 4.054 681 R HA 0.146 4.483 4.340 -0.005 0.000 0.227 681 R C 0.360 176.601 176.300 -0.098 0.000 1.902 681 R CA 0.524 56.593 56.100 -0.051 0.000 1.590 681 R CB -0.503 29.770 30.300 -0.045 0.000 1.245 681 R HN 0.176 nan 8.270 nan 0.000 0.647 682 G N 1.463 110.181 108.800 -0.137 0.000 2.450 682 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.302 682 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.302 682 G C 0.632 175.424 174.900 -0.180 0.000 0.957 682 G CA 0.276 45.274 45.100 -0.170 0.000 1.005 682 G HN 0.531 nan 8.290 nan 0.000 0.514 683 L N -2.183 118.880 121.223 -0.268 0.000 2.418 683 L HA 0.245 4.582 4.340 -0.005 0.000 0.218 683 L C 1.428 177.963 176.870 -0.559 0.000 1.125 683 L CA 0.399 54.984 54.840 -0.425 0.000 0.835 683 L CB -0.250 41.479 42.059 -0.550 0.000 0.953 683 L HN 0.285 nan 8.230 nan 0.000 0.454 684 F N -1.068 118.942 119.950 0.099 0.000 2.590 684 F HA 0.533 5.057 4.527 -0.005 0.000 0.379 684 F C 1.432 177.259 175.800 0.046 0.000 1.154 684 F CA -0.581 57.487 58.000 0.113 0.000 1.136 684 F CB -0.475 38.614 39.000 0.149 0.000 1.601 684 F HN -0.273 nan 8.300 nan 0.000 0.504 685 G N -0.411 108.524 108.800 0.225 0.000 3.286 685 G HA2 0.240 4.197 3.960 -0.005 0.000 0.173 685 G HA3 0.240 4.197 3.960 -0.005 0.000 0.173 685 G C 0.294 175.225 174.900 0.050 0.000 1.704 685 G CA 0.307 45.464 45.100 0.095 0.000 1.041 685 G HN 0.565 nan 8.290 nan 0.000 0.561 686 S N -0.587 115.149 115.700 0.060 0.000 2.622 686 S HA 0.311 4.778 4.470 -0.005 0.000 0.236 686 S C 0.857 175.538 174.600 0.134 0.000 0.956 686 S CA -0.287 57.947 58.200 0.057 0.000 0.971 686 S CB -0.304 62.922 63.200 0.044 0.000 0.782 686 S HN 0.362 nan 8.310 nan 0.000 0.468 687 M N 3.097 122.808 119.600 0.186 0.000 2.269 687 M HA 0.225 4.702 4.480 -0.005 0.000 0.350 687 M C -2.542 173.926 176.300 0.279 0.000 1.429 687 M CA -1.547 53.871 55.300 0.197 0.000 1.063 687 M CB 0.399 33.124 32.600 0.209 0.000 1.841 687 M HN 0.026 nan 8.290 nan 0.000 0.455 688 P HA -0.075 nan 4.420 nan 0.000 0.266 688 P C 0.381 177.614 177.300 -0.110 0.000 1.195 688 P CA -0.284 62.850 63.100 0.058 0.000 0.768 688 P CB 0.461 32.176 31.700 0.025 0.000 0.838 689 L N 3.495 124.527 121.223 -0.319 0.000 2.017 689 L HA -0.200 4.138 4.340 -0.005 0.000 0.208 689 L C 1.786 178.543 176.870 -0.188 0.000 1.073 689 L CA 2.084 56.679 54.840 -0.408 0.000 0.745 689 L CB -1.470 40.363 42.059 -0.376 0.000 0.894 689 L HN 0.267 nan 8.230 nan 0.000 0.432 690 E N 0.058 120.192 120.200 -0.111 0.000 2.086 690 E HA -0.322 4.025 4.350 -0.005 0.000 0.205 690 E C 2.264 178.830 176.600 -0.058 0.000 1.027 690 E CA 1.998 58.363 56.400 -0.058 0.000 0.830 690 E CB -0.400 29.283 29.700 -0.028 0.000 0.751 690 E HN 0.430 nan 8.360 nan 0.000 0.456 691 K N -0.358 120.006 120.400 -0.059 0.000 2.155 691 K HA -0.003 4.315 4.320 -0.005 0.000 0.203 691 K C 2.009 178.557 176.600 -0.086 0.000 1.052 691 K CA 1.250 57.508 56.287 -0.049 0.000 0.948 691 K CB -0.448 32.039 32.500 -0.023 0.000 0.728 691 K HN 0.199 nan 8.250 nan 0.000 0.448 692 G N 0.482 109.194 108.800 -0.146 0.000 2.408 692 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.217 692 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.217 692 G C 1.299 176.101 174.900 -0.163 0.000 1.150 692 G CA 0.685 45.642 45.100 -0.237 0.000 0.776 692 G HN 0.132 nan 8.290 nan 0.000 0.542 693 M N 1.468 120.999 119.600 -0.114 0.000 2.066 693 M HA 0.088 4.565 4.480 -0.005 0.000 0.259 693 M C 3.057 179.373 176.300 0.026 0.000 1.074 693 M CA 1.128 56.407 55.300 -0.035 0.000 1.114 693 M CB -1.591 30.994 32.600 -0.025 0.000 1.306 693 M HN 0.294 nan 8.290 nan 0.000 0.411 694 A N 1.115 123.934 122.820 -0.001 0.000 1.894 694 A HA -0.311 4.006 4.320 -0.005 0.000 0.220 694 A C 2.009 179.592 177.584 -0.001 0.000 1.237 694 A CA 2.621 54.659 52.037 0.002 0.000 0.660 694 A CB -1.298 17.696 19.000 -0.010 0.000 0.835 694 A HN 0.609 nan 8.150 nan 0.000 0.461 695 N N -1.484 117.202 118.700 -0.022 0.000 2.036 695 N HA -0.218 4.519 4.740 -0.005 0.000 0.195 695 N C 1.586 177.093 175.510 -0.004 0.000 1.037 695 N CA 1.868 54.900 53.050 -0.030 0.000 0.855 695 N CB -0.947 37.503 38.487 -0.062 0.000 1.033 695 N HN 0.662 nan 8.380 nan 0.000 0.423 696 Y N 1.957 122.181 120.300 -0.127 0.000 2.069 696 Y HA -0.303 4.244 4.550 -0.005 0.000 0.278 696 Y C 2.441 178.275 175.900 -0.110 0.000 1.175 696 Y CA 2.067 60.097 58.100 -0.117 0.000 1.134 696 Y CB -0.406 37.990 38.460 -0.106 0.000 0.965 696 Y HN 0.015 nan 8.280 nan 0.000 0.498 697 K N 0.372 120.756 120.400 -0.028 0.000 2.001 697 K HA -0.315 4.002 4.320 -0.005 0.000 0.214 697 K C 2.345 178.837 176.600 -0.179 0.000 1.050 697 K CA 2.213 58.422 56.287 -0.131 0.000 0.934 697 K CB -0.399 32.099 32.500 -0.004 0.000 0.718 697 K HN 0.311 nan 8.250 nan 0.000 0.443 698 K N -0.159 120.177 120.400 -0.106 0.000 2.228 698 K HA -0.187 4.130 4.320 -0.005 0.000 0.205 698 K C 1.596 178.112 176.600 -0.141 0.000 1.045 698 K CA 1.451 57.678 56.287 -0.101 0.000 0.931 698 K CB -0.090 32.372 32.500 -0.063 0.000 0.727 698 K HN 0.264 nan 8.250 nan 0.000 0.458 699 A N 0.216 122.916 122.820 -0.201 0.000 2.081 699 A HA 0.097 4.414 4.320 -0.005 0.000 0.214 699 A C 1.823 179.246 177.584 -0.269 0.000 1.158 699 A CA 0.348 52.267 52.037 -0.198 0.000 0.724 699 A CB -0.041 18.849 19.000 -0.183 0.000 0.826 699 A HN 0.282 nan 8.150 nan 0.000 0.463 700 I N -0.485 119.839 120.570 -0.410 0.000 2.585 700 I HA -0.103 4.064 4.170 -0.005 0.000 0.254 700 I C 1.581 177.514 176.117 -0.306 0.000 1.129 700 I CA 0.685 61.681 61.300 -0.506 0.000 1.455 700 I CB -0.156 37.306 38.000 -0.898 0.000 1.111 700 I HN 0.170 nan 8.210 nan 0.000 0.433 701 D N 1.320 121.586 120.400 -0.225 0.000 2.087 701 D HA -0.194 4.443 4.640 -0.005 0.000 0.192 701 D C 1.555 177.789 176.300 -0.109 0.000 0.993 701 D CA 1.441 55.362 54.000 -0.131 0.000 0.828 701 D CB -0.450 40.294 40.800 -0.093 0.000 0.968 701 D HN 0.253 nan 8.370 nan 0.000 0.448 702 D N 0.085 120.424 120.400 -0.102 0.000 2.350 702 D HA -0.041 4.596 4.640 -0.005 0.000 0.216 702 D C 2.035 178.289 176.300 -0.076 0.000 0.968 702 D CA 0.758 54.715 54.000 -0.072 0.000 0.894 702 D CB -0.601 40.166 40.800 -0.056 0.000 0.909 702 D HN 0.253 nan 8.370 nan 0.000 0.520 703 G N 1.047 109.778 108.800 -0.115 0.000 2.514 703 G HA2 -0.242 3.716 3.960 -0.005 0.000 0.217 703 G HA3 -0.242 3.716 3.960 -0.005 0.000 0.217 703 G C 1.437 176.309 174.900 -0.047 0.000 1.198 703 G CA 0.453 45.496 45.100 -0.095 0.000 0.780 703 G HN 0.143 nan 8.290 nan 0.000 0.565 704 L N 0.593 121.772 121.223 -0.072 0.000 1.925 704 L HA 0.101 4.438 4.340 -0.005 0.000 0.215 704 L C 2.986 179.791 176.870 -0.109 0.000 1.082 704 L CA 0.997 55.783 54.840 -0.089 0.000 0.764 704 L CB -1.363 40.640 42.059 -0.093 0.000 0.887 704 L HN 0.177 nan 8.230 nan 0.000 0.432 705 L N -0.395 120.770 121.223 -0.097 0.000 2.274 705 L HA -0.403 3.935 4.340 -0.005 0.000 0.220 705 L C 2.578 179.412 176.870 -0.060 0.000 1.088 705 L CA 2.093 56.886 54.840 -0.079 0.000 0.801 705 L CB -0.641 41.387 42.059 -0.052 0.000 0.891 705 L HN 0.470 nan 8.230 nan 0.000 0.444 706 K N 0.524 120.898 120.400 -0.042 0.000 2.044 706 K HA -0.091 4.226 4.320 -0.005 0.000 0.204 706 K C 2.107 178.708 176.600 0.002 0.000 1.045 706 K CA 0.775 57.056 56.287 -0.010 0.000 0.951 706 K CB -0.017 32.486 32.500 0.005 0.000 0.738 706 K HN 0.171 nan 8.250 nan 0.000 0.443 707 I N 1.387 121.960 120.570 0.006 0.000 2.248 707 I HA -0.342 3.826 4.170 -0.005 0.000 0.248 707 I C 2.387 178.492 176.117 -0.020 0.000 1.107 707 I CA 1.428 62.752 61.300 0.041 0.000 1.373 707 I CB -0.130 37.918 38.000 0.080 0.000 1.055 707 I HN 0.353 nan 8.210 nan 0.000 0.418 708 M N -0.033 119.485 119.600 -0.136 0.000 2.099 708 M HA -0.163 4.314 4.480 -0.005 0.000 0.262 708 M C 2.443 178.735 176.300 -0.014 0.000 1.067 708 M CA 2.052 57.263 55.300 -0.149 0.000 1.124 708 M CB -0.546 31.912 32.600 -0.237 0.000 1.353 708 M HN 0.278 nan 8.290 nan 0.000 0.410 709 S N 0.219 115.913 115.700 -0.010 0.000 2.500 709 S HA -0.077 4.390 4.470 -0.005 0.000 0.239 709 S C 1.610 176.237 174.600 0.045 0.000 0.989 709 S CA 0.815 59.026 58.200 0.018 0.000 0.951 709 S CB -0.526 62.684 63.200 0.017 0.000 0.759 709 S HN 0.427 nan 8.310 nan 0.000 0.523 710 K N 1.280 121.719 120.400 0.065 0.000 2.360 710 K HA 0.057 4.374 4.320 -0.005 0.000 0.201 710 K C 1.847 178.525 176.600 0.130 0.000 1.046 710 K CA 1.417 57.770 56.287 0.110 0.000 0.945 710 K CB -0.275 32.314 32.500 0.149 0.000 0.750 710 K HN 0.734 nan 8.250 nan 0.000 0.464 711 M N -3.516 116.137 119.600 0.088 0.000 2.347 711 M HA 0.337 4.814 4.480 -0.005 0.000 0.302 711 M C 0.685 177.007 176.300 0.036 0.000 1.051 711 M CA 0.477 55.813 55.300 0.060 0.000 0.988 711 M CB 1.216 33.836 32.600 0.032 0.000 1.475 711 M HN 0.104 nan 8.290 nan 0.000 0.530 712 G N 2.149 110.967 108.800 0.031 0.000 2.199 712 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.254 712 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.254 712 G C 0.057 174.966 174.900 0.015 0.000 0.982 712 G CA -0.024 45.080 45.100 0.007 0.000 0.632 712 G HN 0.550 nan 8.290 nan 0.000 0.529 713 I N 2.021 122.613 120.570 0.038 0.000 2.556 713 I HA 0.192 4.359 4.170 -0.005 0.000 0.284 713 I C 1.196 177.330 176.117 0.028 0.000 1.114 713 I CA 0.622 61.952 61.300 0.050 0.000 1.418 713 I CB 1.310 39.377 38.000 0.111 0.000 1.394 713 I HN 0.109 nan 8.210 nan 0.000 0.552 714 S N 4.583 120.297 115.700 0.023 0.000 2.554 714 S HA 0.261 4.729 4.470 -0.005 0.000 0.226 714 S C 0.074 174.678 174.600 0.007 0.000 0.980 714 S CA -0.272 57.933 58.200 0.009 0.000 0.939 714 S CB 0.358 63.565 63.200 0.011 0.000 0.832 714 S HN 0.415 nan 8.310 nan 0.000 0.486 715 V N 1.216 121.143 119.914 0.022 0.000 2.851 715 V HA 0.376 4.493 4.120 -0.005 0.000 0.307 715 V C 0.463 176.589 176.094 0.053 0.000 1.129 715 V CA -0.726 61.587 62.300 0.022 0.000 0.932 715 V CB 2.214 34.052 31.823 0.025 0.000 1.024 715 V HN 0.270 nan 8.190 nan 0.000 0.426 716 I N 2.427 123.021 120.570 0.040 0.000 2.617 716 I HA -0.118 4.049 4.170 -0.005 0.000 0.256 716 I C 2.276 178.478 176.117 0.142 0.000 1.167 716 I CA 1.721 63.078 61.300 0.094 0.000 1.469 716 I CB 0.476 38.504 38.000 0.047 0.000 1.098 716 I HN 0.880 nan 8.210 nan 0.000 0.436 717 S N 0.026 115.760 115.700 0.056 0.000 2.370 717 S HA -0.187 4.280 4.470 -0.005 0.000 0.226 717 S C 1.968 176.622 174.600 0.089 0.000 1.033 717 S CA 1.728 59.921 58.200 -0.012 0.000 1.011 717 S CB -0.673 62.463 63.200 -0.107 0.000 0.852 717 S HN 0.439 nan 8.310 nan 0.000 0.457 718 S N 0.419 116.185 115.700 0.111 0.000 2.428 718 S HA 0.040 4.507 4.470 -0.005 0.000 0.230 718 S C 1.512 176.231 174.600 0.198 0.000 1.014 718 S CA 0.773 59.065 58.200 0.154 0.000 0.957 718 S CB -0.435 62.792 63.200 0.045 0.000 0.784 718 S HN 0.666 nan 8.310 nan 0.000 0.499 719 Y N 2.242 122.597 120.300 0.092 0.000 2.337 719 Y HA 0.207 4.754 4.550 -0.005 0.000 0.293 719 Y C 1.117 177.074 175.900 0.095 0.000 1.123 719 Y CA 0.321 58.457 58.100 0.059 0.000 1.201 719 Y CB 0.035 38.519 38.460 0.040 0.000 1.011 719 Y HN -0.004 nan 8.280 nan 0.000 0.545 720 R N 0.185 120.855 120.500 0.283 0.000 2.623 720 R HA 0.117 4.455 4.340 -0.005 0.000 0.271 720 R C 1.395 177.743 176.300 0.080 0.000 1.043 720 R CA 1.054 57.294 56.100 0.233 0.000 1.083 720 R CB -0.067 30.449 30.300 0.359 0.000 0.974 720 R HN 0.668 nan 8.270 nan 0.000 0.436 721 G N 2.512 111.242 108.800 -0.117 0.000 2.300 721 G HA2 -0.378 3.579 3.960 -0.005 0.000 0.267 721 G HA3 -0.378 3.579 3.960 -0.005 0.000 0.267 721 G C 0.962 175.697 174.900 -0.276 0.000 0.980 721 G CA 0.887 45.819 45.100 -0.280 0.000 0.635 721 G HN 0.853 nan 8.290 nan 0.000 0.552 722 G N 0.650 109.279 108.800 -0.286 0.000 2.527 722 G HA2 0.398 4.355 3.960 -0.005 0.000 0.219 722 G HA3 0.398 4.355 3.960 -0.005 0.000 0.219 722 G C 1.567 176.320 174.900 -0.245 0.000 1.117 722 G CA 1.317 46.240 45.100 -0.295 0.000 0.759 722 G HN 2.098 nan 8.290 nan 0.000 0.556 723 G N 0.424 109.102 108.800 -0.204 0.000 2.342 723 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.267 723 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.267 723 G C 0.167 175.003 174.900 -0.107 0.000 0.922 723 G CA 0.090 45.147 45.100 -0.072 0.000 1.342 723 G HN 0.472 nan 8.290 nan 0.000 0.430 724 N N 0.617 119.157 118.700 -0.266 0.000 2.671 724 N HA 0.365 5.102 4.740 -0.005 0.000 0.303 724 N C -0.112 174.896 175.510 -0.838 0.000 1.351 724 N CA 0.100 52.849 53.050 -0.501 0.000 0.991 724 N CB 0.322 38.450 38.487 -0.598 0.000 1.307 724 N HN 0.407 nan 8.380 nan 0.000 0.512 725 F N 0.947 120.900 119.950 0.006 0.000 2.780 725 F HA 0.493 5.018 4.527 -0.004 0.000 0.394 725 F C 0.528 176.389 175.800 0.102 0.000 1.244 725 F CA -0.902 57.157 58.000 0.098 0.000 1.133 725 F CB 0.798 39.886 39.000 0.147 0.000 1.528 725 F HN -0.108 nan 8.300 nan 0.000 0.496 726 E N -0.235 120.165 120.200 0.334 0.000 2.422 726 E HA 0.587 4.934 4.350 -0.005 0.000 0.289 726 E C -2.038 174.627 176.600 0.108 0.000 0.985 726 E CA -0.721 55.774 56.400 0.158 0.000 0.812 726 E CB 1.602 31.366 29.700 0.107 0.000 1.226 726 E HN 0.703 nan 8.360 nan 0.000 0.419 727 A N 5.551 128.373 122.820 0.004 0.000 2.341 727 A HA 0.479 4.796 4.320 -0.005 0.000 0.326 727 A C -0.411 177.136 177.584 -0.062 0.000 1.402 727 A CA -0.588 51.351 52.037 -0.163 0.000 0.957 727 A CB -0.046 18.785 19.000 -0.282 0.000 1.151 727 A HN 0.652 nan 8.150 nan 0.000 0.533 728 I N 2.714 123.278 120.570 -0.010 0.000 2.428 728 I HA 0.573 4.740 4.170 -0.005 0.000 0.289 728 I C 1.068 177.249 176.117 0.107 0.000 1.019 728 I CA 1.405 62.722 61.300 0.029 0.000 1.351 728 I CB 1.080 39.096 38.000 0.026 0.000 1.412 728 I HN 1.014 nan 8.210 nan 0.000 0.513 729 G N 6.455 115.317 108.800 0.105 0.000 3.400 729 G HA2 -0.233 3.724 3.960 -0.005 0.000 0.209 729 G HA3 -0.233 3.724 3.960 -0.005 0.000 0.209 729 G C 0.238 175.172 174.900 0.055 0.000 1.411 729 G CA 0.018 45.241 45.100 0.205 0.000 0.917 729 G HN 0.644 nan 8.290 nan 0.000 0.570 730 L N 2.206 123.363 121.223 -0.110 0.000 2.492 730 L HA 0.418 4.755 4.340 -0.005 0.000 0.280 730 L C 1.519 178.359 176.870 -0.050 0.000 1.240 730 L CA 0.453 55.190 54.840 -0.173 0.000 0.831 730 L CB 0.359 42.277 42.059 -0.236 0.000 1.100 730 L HN 0.682 nan 8.230 nan 0.000 0.505 731 S N 1.323 117.011 115.700 -0.020 0.000 2.565 731 S HA 0.210 4.678 4.470 -0.005 0.000 0.276 731 S C 1.052 175.672 174.600 0.033 0.000 1.326 731 S CA -0.569 57.638 58.200 0.011 0.000 1.045 731 S CB 1.364 64.574 63.200 0.017 0.000 0.918 731 S HN 0.659 nan 8.310 nan 0.000 0.505 732 R N 2.495 123.011 120.500 0.027 0.000 2.171 732 R HA -0.206 4.132 4.340 -0.005 0.000 0.232 732 R C 2.708 179.029 176.300 0.036 0.000 1.116 732 R CA 2.160 58.279 56.100 0.031 0.000 0.901 732 R CB -1.341 28.970 30.300 0.019 0.000 0.850 732 R HN 0.935 nan 8.270 nan 0.000 0.431 733 A N 0.854 123.686 122.820 0.019 0.000 1.944 733 A HA -0.272 4.045 4.320 -0.005 0.000 0.222 733 A C 2.069 179.658 177.584 0.008 0.000 1.237 733 A CA 2.065 54.105 52.037 0.005 0.000 0.668 733 A CB -0.820 18.181 19.000 0.002 0.000 0.830 733 A HN 0.362 nan 8.150 nan 0.000 0.471 734 L N -0.293 120.961 121.223 0.051 0.000 2.056 734 L HA -0.068 4.269 4.340 -0.005 0.000 0.207 734 L C 2.403 179.367 176.870 0.156 0.000 1.078 734 L CA 2.099 57.007 54.840 0.113 0.000 0.749 734 L CB -0.564 41.578 42.059 0.139 0.000 0.901 734 L HN 0.176 nan 8.230 nan 0.000 0.433 735 V N -0.026 120.007 119.914 0.199 0.000 2.548 735 V HA -0.171 3.946 4.120 -0.005 0.000 0.249 735 V C 2.739 178.961 176.094 0.213 0.000 1.055 735 V CA 1.301 63.823 62.300 0.369 0.000 1.065 735 V CB -1.447 30.546 31.823 0.282 0.000 0.681 735 V HN 0.560 nan 8.190 nan 0.000 0.462 736 A N 0.684 123.555 122.820 0.085 0.000 1.841 736 A HA -0.238 4.079 4.320 -0.005 0.000 0.214 736 A C 2.230 179.769 177.584 -0.076 0.000 1.195 736 A CA 1.957 54.002 52.037 0.013 0.000 0.611 736 A CB -0.585 18.411 19.000 -0.006 0.000 0.835 736 A HN 0.573 nan 8.150 nan 0.000 0.443 737 E N -0.253 119.854 120.200 -0.155 0.000 2.033 737 E HA -0.255 4.092 4.350 -0.005 0.000 0.199 737 E C 1.828 178.161 176.600 -0.444 0.000 1.011 737 E CA 2.194 58.380 56.400 -0.357 0.000 0.815 737 E CB -0.361 28.988 29.700 -0.585 0.000 0.755 737 E HN 0.771 nan 8.360 nan 0.000 0.451 738 H N -1.968 116.924 119.070 -0.297 0.000 2.553 738 H HA 0.159 4.712 4.556 -0.005 0.000 0.276 738 H C 0.150 175.072 175.328 -0.678 0.000 0.979 738 H CA 0.259 55.991 56.048 -0.528 0.000 1.268 738 H CB 0.201 29.519 29.762 -0.740 0.000 1.450 738 H HN 0.115 nan 8.280 nan 0.000 0.527 739 F N 0.782 120.814 119.950 0.137 0.000 2.457 739 F HA 0.383 4.907 4.527 -0.005 0.000 0.330 739 F C -1.648 174.178 175.800 0.042 0.000 1.069 739 F CA -2.850 55.198 58.000 0.080 0.000 1.009 739 F CB -0.149 38.904 39.000 0.089 0.000 1.276 739 F HN -0.195 nan 8.300 nan 0.000 0.492 740 P HA -0.006 nan 4.420 nan 0.000 0.277 740 P C -1.108 176.252 177.300 0.100 0.000 1.269 740 P CA -0.132 63.017 63.100 0.083 0.000 0.840 740 P CB 0.177 31.903 31.700 0.044 0.000 1.156 741 A N 0.632 123.473 122.820 0.035 0.000 2.396 741 A HA 0.493 4.810 4.320 -0.005 0.000 0.279 741 A C -0.074 177.544 177.584 0.057 0.000 1.165 741 A CA 0.425 52.485 52.037 0.039 0.000 0.824 741 A CB -0.869 18.130 19.000 -0.002 0.000 1.100 741 A HN 0.342 nan 8.150 nan 0.000 0.516 742 M N 2.627 122.284 119.600 0.096 0.000 2.484 742 M HA 0.323 4.801 4.480 -0.005 0.000 0.289 742 M C -0.751 175.599 176.300 0.085 0.000 1.206 742 M CA -0.655 54.706 55.300 0.102 0.000 0.892 742 M CB 2.302 35.011 32.600 0.182 0.000 1.712 742 M HN 0.350 nan 8.290 nan 0.000 0.462 743 V N 0.964 120.913 119.914 0.059 0.000 3.083 743 V HA 0.467 4.585 4.120 -0.005 0.000 0.306 743 V C 0.319 176.440 176.094 0.044 0.000 1.077 743 V CA -0.212 62.114 62.300 0.042 0.000 1.073 743 V CB 1.648 33.487 31.823 0.027 0.000 1.081 743 V HN 0.925 nan 8.190 nan 0.000 0.474 744 S N 0.988 116.707 115.700 0.032 0.000 2.605 744 S HA 0.268 4.736 4.470 -0.005 0.000 0.142 744 S C 0.873 175.482 174.600 0.016 0.000 1.452 744 S CA -0.695 57.516 58.200 0.019 0.000 1.240 744 S CB 0.023 63.232 63.200 0.015 0.000 1.538 744 S HN 0.694 nan 8.310 nan 0.000 0.394 745 R N 1.064 121.573 120.500 0.016 0.000 2.332 745 R HA -0.057 4.280 4.340 -0.005 0.000 0.239 745 R C -0.257 176.049 176.300 0.010 0.000 1.160 745 R CA 1.213 57.322 56.100 0.014 0.000 1.020 745 R CB -0.627 29.682 30.300 0.015 0.000 0.859 745 R HN 0.527 nan 8.270 nan 0.000 0.478 746 I N -0.058 120.517 120.570 0.009 0.000 2.529 746 I HA 0.096 4.263 4.170 -0.005 0.000 0.284 746 I C 0.101 176.223 176.117 0.009 0.000 1.088 746 I CA -0.746 60.559 61.300 0.008 0.000 1.062 746 I CB 1.885 39.888 38.000 0.004 0.000 1.218 746 I HN -0.071 nan 8.210 nan 0.000 0.442 747 S N 3.130 118.836 115.700 0.010 0.000 2.555 747 S HA 0.480 4.947 4.470 -0.005 0.000 0.264 747 S C 0.574 175.180 174.600 0.009 0.000 1.378 747 S CA 0.233 58.439 58.200 0.010 0.000 0.996 747 S CB 0.564 63.772 63.200 0.013 0.000 0.869 747 S HN 0.949 nan 8.310 nan 0.000 0.546 748 G N 0.287 109.090 108.800 0.005 0.000 3.354 748 G HA2 0.566 4.523 3.960 -0.005 0.000 0.174 748 G HA3 0.566 4.523 3.960 -0.005 0.000 0.174 748 G C -0.003 174.903 174.900 0.010 0.000 1.140 748 G CA -0.471 44.636 45.100 0.012 0.000 0.897 748 G HN 1.084 nan 8.290 nan 0.000 0.685 749 I N -0.636 119.932 120.570 -0.003 0.000 3.156 749 I HA 0.799 4.966 4.170 -0.005 0.000 0.306 749 I C 0.594 176.705 176.117 -0.010 0.000 1.048 749 I CA -0.475 60.838 61.300 0.023 0.000 1.207 749 I CB 1.336 39.359 38.000 0.037 0.000 1.456 749 I HN 0.617 nan 8.210 nan 0.000 0.616 750 G N 0.955 109.761 108.800 0.011 0.000 3.222 750 G HA2 0.409 4.367 3.960 -0.005 0.000 0.263 750 G HA3 0.409 4.367 3.960 -0.005 0.000 0.263 750 G C 0.348 175.239 174.900 -0.016 0.000 1.312 750 G CA -0.883 44.218 45.100 0.002 0.000 0.934 750 G HN 0.677 nan 8.290 nan 0.000 0.577 751 L N -0.161 121.050 121.223 -0.020 0.000 2.042 751 L HA -0.155 4.182 4.340 -0.005 0.000 0.210 751 L C 2.765 179.600 176.870 -0.059 0.000 1.076 751 L CA 1.476 56.284 54.840 -0.054 0.000 0.749 751 L CB -0.462 41.564 42.059 -0.055 0.000 0.893 751 L HN 0.432 nan 8.230 nan 0.000 0.432 752 N N 0.416 119.091 118.700 -0.041 0.000 2.018 752 N HA -0.159 4.579 4.740 -0.005 0.000 0.196 752 N C 1.773 177.225 175.510 -0.096 0.000 1.043 752 N CA 1.695 54.710 53.050 -0.058 0.000 0.856 752 N CB -0.866 37.596 38.487 -0.042 0.000 1.042 752 N HN 0.325 nan 8.380 nan 0.000 0.423 753 G N 1.312 110.066 108.800 -0.077 0.000 2.511 753 G HA2 -0.226 3.732 3.960 -0.005 0.000 0.216 753 G HA3 -0.226 3.732 3.960 -0.005 0.000 0.216 753 G C 1.628 176.506 174.900 -0.037 0.000 1.218 753 G CA 0.912 45.941 45.100 -0.118 0.000 0.788 753 G HN 0.291 nan 8.290 nan 0.000 0.560 754 I N 0.673 121.241 120.570 -0.004 0.000 2.103 754 I HA -0.425 3.742 4.170 -0.005 0.000 0.241 754 I C 2.897 179.038 176.117 0.041 0.000 1.036 754 I CA 2.313 63.619 61.300 0.010 0.000 1.300 754 I CB -0.435 37.546 38.000 -0.030 0.000 1.010 754 I HN 0.384 nan 8.210 nan 0.000 0.406 755 Q N 1.095 120.891 119.800 -0.006 0.000 2.047 755 Q HA -0.349 3.988 4.340 -0.005 0.000 0.211 755 Q C 2.157 178.211 176.000 0.090 0.000 1.005 755 Q CA 2.857 58.683 55.803 0.038 0.000 0.866 755 Q CB -0.221 28.503 28.738 -0.023 0.000 0.938 755 Q HN 0.387 nan 8.270 nan 0.000 0.414 756 K N 0.017 120.416 120.400 -0.002 0.000 1.977 756 K HA -0.238 4.079 4.320 -0.005 0.000 0.218 756 K C 2.049 178.689 176.600 0.066 0.000 1.051 756 K CA 2.179 58.455 56.287 -0.018 0.000 0.953 756 K CB -0.150 32.236 32.500 -0.191 0.000 0.727 756 K HN 0.155 nan 8.250 nan 0.000 0.445 757 K N 0.291 120.749 120.400 0.096 0.000 2.089 757 K HA -0.182 4.135 4.320 -0.005 0.000 0.210 757 K C 2.114 178.867 176.600 0.254 0.000 1.048 757 K CA 1.789 58.197 56.287 0.201 0.000 0.926 757 K CB -0.360 32.287 32.500 0.245 0.000 0.714 757 K HN 0.050 nan 8.250 nan 0.000 0.448 758 V N 2.114 122.178 119.914 0.250 0.000 2.233 758 V HA -0.273 3.844 4.120 -0.005 0.000 0.247 758 V C 2.353 178.558 176.094 0.185 0.000 1.050 758 V CA 1.769 64.242 62.300 0.288 0.000 1.010 758 V CB -0.459 31.556 31.823 0.320 0.000 0.637 758 V HN 0.289 nan 8.190 nan 0.000 0.444 759 L N -0.457 120.850 121.223 0.140 0.000 2.013 759 L HA -0.262 4.075 4.340 -0.005 0.000 0.212 759 L C 2.619 179.548 176.870 0.098 0.000 1.073 759 L CA 1.935 56.813 54.840 0.064 0.000 0.753 759 L CB -0.749 41.335 42.059 0.043 0.000 0.890 759 L HN 0.451 nan 8.230 nan 0.000 0.432 760 E N -0.369 119.890 120.200 0.098 0.000 2.033 760 E HA -0.340 4.007 4.350 -0.005 0.000 0.199 760 E C 2.136 178.780 176.600 0.073 0.000 1.011 760 E CA 1.658 58.110 56.400 0.087 0.000 0.815 760 E CB -0.181 29.578 29.700 0.098 0.000 0.755 760 E HN 0.313 nan 8.360 nan 0.000 0.451 761 Q N 0.053 119.888 119.800 0.058 0.000 2.297 761 Q HA -0.207 4.131 4.340 -0.005 0.000 0.208 761 Q C 1.650 177.639 176.000 -0.019 0.000 0.981 761 Q CA 1.695 57.467 55.803 -0.051 0.000 0.876 761 Q CB -0.235 28.324 28.738 -0.297 0.000 0.921 761 Q HN 0.443 nan 8.270 nan 0.000 0.446 762 H N -1.267 117.771 119.070 -0.052 0.000 2.415 762 H HA 0.205 4.758 4.556 -0.005 0.000 0.297 762 H C 1.647 177.006 175.328 0.051 0.000 1.048 762 H CA 1.288 57.321 56.048 -0.025 0.000 1.365 762 H CB -0.053 29.652 29.762 -0.095 0.000 1.421 762 H HN 0.261 nan 8.280 nan 0.000 0.533 763 A N -0.055 122.831 122.820 0.110 0.000 1.842 763 A HA -0.266 4.051 4.320 -0.005 0.000 0.217 763 A C 2.456 180.040 177.584 0.000 0.000 1.206 763 A CA 2.461 54.532 52.037 0.056 0.000 0.630 763 A CB -1.491 17.542 19.000 0.055 0.000 0.839 763 A HN 0.552 nan 8.150 nan 0.000 0.447 764 T N -0.463 114.086 114.554 -0.010 0.000 2.774 764 T HA -0.211 4.136 4.350 -0.005 0.000 0.264 764 T C 1.513 176.155 174.700 -0.097 0.000 1.037 764 T CA 2.038 64.112 62.100 -0.043 0.000 1.152 764 T CB -0.350 68.489 68.868 -0.048 0.000 0.842 764 T HN 0.736 nan 8.240 nan 0.000 0.483 765 A N -2.000 120.740 122.820 -0.132 0.000 2.430 765 A HA 0.493 4.810 4.320 -0.005 0.000 0.243 765 A C 0.967 178.266 177.584 -0.474 0.000 1.254 765 A CA -0.157 51.702 52.037 -0.297 0.000 0.914 765 A CB 0.318 19.085 19.000 -0.389 0.000 0.998 765 A HN 0.602 nan 8.150 nan 0.000 0.515 766 Y N -1.892 118.258 120.300 -0.250 0.000 2.449 766 Y HA 0.210 4.757 4.550 -0.005 0.000 0.283 766 Y C 1.207 177.024 175.900 -0.138 0.000 1.079 766 Y CA -0.018 57.946 58.100 -0.227 0.000 1.099 766 Y CB 0.521 38.764 38.460 -0.362 0.000 1.354 766 Y HN 0.427 nan 8.280 nan 0.000 0.569 767 N N 1.308 120.039 118.700 0.051 0.000 2.376 767 N HA 0.097 4.834 4.740 -0.005 0.000 0.249 767 N C -0.238 175.274 175.510 0.003 0.000 1.140 767 N CA 0.450 53.518 53.050 0.031 0.000 0.870 767 N CB 0.559 39.068 38.487 0.037 0.000 1.124 767 N HN 0.510 nan 8.380 nan 0.000 0.505 768 E N -0.177 120.012 120.200 -0.019 0.000 2.331 768 E HA 0.141 4.488 4.350 -0.005 0.000 0.263 768 E C -1.762 174.800 176.600 -0.063 0.000 1.224 768 E CA -0.505 55.874 56.400 -0.035 0.000 0.898 768 E CB 0.868 30.547 29.700 -0.034 0.000 1.591 768 E HN 0.200 nan 8.360 nan 0.000 0.463 769 E N 0.230 120.392 120.200 -0.064 0.000 2.266 769 E HA 0.614 4.962 4.350 -0.005 0.000 0.268 769 E C -1.568 174.982 176.600 -0.083 0.000 0.879 769 E CA -0.919 55.434 56.400 -0.079 0.000 0.762 769 E CB 3.081 32.747 29.700 -0.057 0.000 1.199 769 E HN 0.128 nan 8.360 nan 0.000 0.422 770 V N 3.320 123.173 119.914 -0.102 0.000 2.686 770 V HA 0.124 4.242 4.120 -0.005 0.000 0.306 770 V C 0.294 176.339 176.094 -0.081 0.000 1.065 770 V CA -0.395 61.849 62.300 -0.093 0.000 0.894 770 V CB 1.883 33.633 31.823 -0.121 0.000 1.004 770 V HN 0.673 nan 8.190 nan 0.000 0.424 771 V N 4.821 124.700 119.914 -0.059 0.000 2.283 771 V HA 0.475 4.592 4.120 -0.005 0.000 0.239 771 V C 0.822 176.890 176.094 -0.044 0.000 1.035 771 V CA 1.418 63.690 62.300 -0.047 0.000 1.018 771 V CB -0.377 31.426 31.823 -0.035 0.000 0.658 771 V HN 0.956 nan 8.190 nan 0.000 0.459 772 A N -0.769 122.029 122.820 -0.036 0.000 2.532 772 A HA 0.750 5.067 4.320 -0.005 0.000 0.290 772 A C -0.969 176.602 177.584 -0.021 0.000 1.143 772 A CA -0.758 51.263 52.037 -0.027 0.000 0.728 772 A CB 0.936 19.927 19.000 -0.016 0.000 1.317 772 A HN 0.282 nan 8.150 nan 0.000 0.414 773 L N 1.131 122.350 121.223 -0.008 0.000 2.426 773 L HA 0.300 4.637 4.340 -0.005 0.000 0.271 773 L C -1.928 174.953 176.870 0.018 0.000 1.169 773 L CA -1.497 53.347 54.840 0.007 0.000 0.836 773 L CB -0.025 42.051 42.059 0.028 0.000 1.112 773 L HN 0.459 nan 8.230 nan 0.000 0.465 774 P HA 0.010 nan 4.420 nan 0.000 0.285 774 P C 0.831 178.162 177.300 0.051 0.000 1.282 774 P CA -0.482 62.639 63.100 0.035 0.000 0.778 774 P CB 0.522 32.249 31.700 0.045 0.000 1.222 775 V N -1.471 118.475 119.914 0.053 0.000 2.273 775 V HA 0.223 4.340 4.120 -0.005 0.000 0.242 775 V C 1.056 177.211 176.094 0.103 0.000 1.035 775 V CA 1.740 64.077 62.300 0.061 0.000 1.013 775 V CB -1.663 30.184 31.823 0.039 0.000 0.652 775 V HN 1.002 nan 8.190 nan 0.000 0.452 776 G N -1.109 107.762 108.800 0.118 0.000 2.674 776 G HA2 0.385 4.342 3.960 -0.005 0.000 0.686 776 G HA3 0.385 4.342 3.960 -0.005 0.000 0.686 776 G C -0.009 175.008 174.900 0.195 0.000 1.195 776 G CA -0.359 44.847 45.100 0.178 0.000 0.776 776 G HN 1.044 nan 8.290 nan 0.000 0.654 777 G N -0.428 108.530 108.800 0.264 0.000 5.302 777 G HA2 0.534 4.491 3.960 -0.005 0.000 0.223 777 G HA3 0.534 4.491 3.960 -0.005 0.000 0.223 777 G C 0.555 175.737 174.900 0.469 0.000 0.832 777 G CA 0.984 46.258 45.100 0.290 0.000 0.714 777 G HN 0.971 nan 8.290 nan 0.000 0.444 778 F N 1.014 121.079 119.950 0.191 0.000 2.085 778 F HA 0.210 4.734 4.527 -0.005 0.000 0.284 778 F C 1.954 177.791 175.800 0.062 0.000 1.127 778 F CA 0.641 58.659 58.000 0.029 0.000 1.164 778 F CB -0.182 38.659 39.000 -0.265 0.000 1.035 778 F HN 0.159 nan 8.300 nan 0.000 0.481 779 Y N 0.825 121.229 120.300 0.174 0.000 2.751 779 Y HA 0.077 4.624 4.550 -0.005 0.000 0.310 779 Y C 0.506 176.454 175.900 0.080 0.000 1.176 779 Y CA 0.783 58.882 58.100 -0.002 0.000 1.360 779 Y CB -0.443 38.068 38.460 0.085 0.000 0.999 779 Y HN 0.054 nan 8.280 nan 0.000 0.532 780 R N -0.756 119.886 120.500 0.237 0.000 3.737 780 R HA 0.114 4.452 4.340 -0.005 0.000 0.240 780 R C -1.863 174.403 176.300 -0.058 0.000 1.044 780 R CA -0.718 55.428 56.100 0.078 0.000 1.164 780 R CB 0.034 30.404 30.300 0.116 0.000 1.244 780 R HN -0.078 nan 8.270 nan 0.000 0.537 781 F N 4.727 124.367 119.950 -0.518 0.000 2.543 781 F HA 0.380 4.904 4.527 -0.004 0.000 0.375 781 F C 0.088 175.803 175.800 -0.140 0.000 1.075 781 F CA 0.324 58.052 58.000 -0.453 0.000 1.225 781 F CB 0.429 39.203 39.000 -0.375 0.000 1.099 781 F HN 0.488 nan 8.300 nan 0.000 0.561 782 R N 3.733 123.922 120.500 -0.518 0.000 3.024 782 R HA 0.441 4.778 4.340 -0.005 0.000 0.224 782 R C -0.250 175.457 176.300 -0.988 0.000 1.490 782 R CA -1.095 54.702 56.100 -0.505 0.000 1.057 782 R CB 0.923 31.107 30.300 -0.193 0.000 1.723 782 R HN 0.409 nan 8.270 nan 0.000 0.520 783 K N 0.810 120.865 120.400 -0.576 0.000 3.000 783 K HA 0.206 4.523 4.320 -0.005 0.000 0.239 783 K C -0.277 176.179 176.600 -0.241 0.000 1.269 783 K CA -0.049 55.900 56.287 -0.563 0.000 1.220 783 K CB 1.116 33.441 32.500 -0.291 0.000 1.645 783 K HN 0.280 nan 8.250 nan 0.000 0.423 784 S N -0.727 114.852 115.700 -0.201 0.000 2.566 784 S HA 0.393 4.860 4.470 -0.005 0.000 0.277 784 S C 1.442 176.124 174.600 0.137 0.000 1.150 784 S CA -0.176 58.030 58.200 0.010 0.000 1.032 784 S CB 0.884 64.113 63.200 0.048 0.000 1.157 784 S HN 0.505 nan 8.310 nan 0.000 0.507 785 G N -0.177 108.707 108.800 0.141 0.000 2.603 785 G HA2 0.095 4.052 3.960 -0.005 0.000 0.214 785 G HA3 0.095 4.052 3.960 -0.005 0.000 0.214 785 G C 0.081 175.091 174.900 0.184 0.000 1.140 785 G CA 0.008 45.196 45.100 0.147 0.000 0.800 785 G HN 0.601 nan 8.290 nan 0.000 0.533 786 D N 1.351 121.893 120.400 0.236 0.000 2.338 786 D HA 0.266 4.903 4.640 -0.005 0.000 0.255 786 D C 0.609 177.138 176.300 0.382 0.000 1.237 786 D CA -0.141 54.018 54.000 0.265 0.000 0.883 786 D CB 0.961 41.959 40.800 0.330 0.000 1.087 786 D HN 0.290 nan 8.370 nan 0.000 0.485 787 R N 2.205 122.844 120.500 0.231 0.000 2.517 787 R HA 0.684 5.021 4.340 -0.005 0.000 0.250 787 R C -0.196 176.174 176.300 0.116 0.000 1.213 787 R CA -0.528 55.678 56.100 0.178 0.000 1.146 787 R CB 0.552 30.880 30.300 0.046 0.000 1.279 787 R HN 0.401 nan 8.270 nan 0.000 0.597 788 H N -3.172 115.740 119.070 -0.262 0.000 2.981 788 H HA 0.299 4.852 4.556 -0.005 0.000 0.327 788 H C 0.473 175.634 175.328 -0.278 0.000 1.342 788 H CA 0.036 55.944 56.048 -0.233 0.000 1.123 788 H CB 1.824 31.433 29.762 -0.255 0.000 1.851 788 H HN 0.688 nan 8.280 nan 0.000 0.531 789 G N -0.282 108.434 108.800 -0.140 0.000 2.404 789 G HA2 -0.105 3.853 3.960 -0.005 0.000 0.213 789 G HA3 -0.105 3.853 3.960 -0.005 0.000 0.213 789 G C -0.249 174.446 174.900 -0.342 0.000 1.189 789 G CA -0.202 44.695 45.100 -0.338 0.000 0.796 789 G HN 0.480 nan 8.290 nan 0.000 0.532 790 W N 2.247 123.537 121.300 -0.015 0.000 2.416 790 W HA 0.533 5.190 4.660 -0.005 0.000 0.318 790 W C -0.143 176.309 176.519 -0.111 0.000 1.150 790 W CA -0.773 56.565 57.345 -0.012 0.000 1.392 790 W CB 0.572 30.049 29.460 0.029 0.000 1.311 790 W HN 0.107 nan 8.180 nan 0.000 0.436 791 E N 1.216 121.450 120.200 0.058 0.000 2.312 791 E HA 0.296 4.643 4.350 -0.005 0.000 0.267 791 E C 1.045 177.738 176.600 0.156 0.000 0.894 791 E CA -0.788 55.519 56.400 -0.155 0.000 0.773 791 E CB 1.794 31.148 29.700 -0.577 0.000 1.241 791 E HN 0.491 nan 8.360 nan 0.000 0.432 792 G N 1.770 110.731 108.800 0.269 0.000 2.556 792 G HA2 -0.365 3.593 3.960 -0.005 0.000 0.220 792 G HA3 -0.365 3.593 3.960 -0.005 0.000 0.220 792 G C 1.226 176.238 174.900 0.186 0.000 1.156 792 G CA 1.334 46.560 45.100 0.210 0.000 0.766 792 G HN 0.631 nan 8.290 nan 0.000 0.583 793 G N 0.173 109.080 108.800 0.178 0.000 2.586 793 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.218 793 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.218 793 G C 1.797 176.817 174.900 0.200 0.000 1.216 793 G CA 1.462 46.660 45.100 0.163 0.000 0.786 793 G HN 0.372 nan 8.290 nan 0.000 0.583 794 V N 1.413 121.446 119.914 0.197 0.000 2.324 794 V HA -0.208 3.909 4.120 -0.005 0.000 0.250 794 V C 2.888 179.141 176.094 0.265 0.000 1.060 794 V CA 1.835 64.296 62.300 0.268 0.000 1.042 794 V CB -0.382 31.605 31.823 0.274 0.000 0.650 794 V HN 0.444 nan 8.190 nan 0.000 0.450 795 I N -0.825 119.916 120.570 0.285 0.000 2.113 795 I HA -0.355 3.813 4.170 -0.005 0.000 0.242 795 I C 2.436 178.635 176.117 0.137 0.000 1.064 795 I CA 2.307 63.725 61.300 0.197 0.000 1.320 795 I CB -0.883 37.217 38.000 0.167 0.000 1.028 795 I HN 0.423 nan 8.210 nan 0.000 0.406 796 H N 1.592 120.697 119.070 0.059 0.000 2.251 796 H HA -0.184 4.370 4.556 -0.005 0.000 0.294 796 H C 2.340 177.680 175.328 0.020 0.000 1.078 796 H CA 2.567 58.636 56.048 0.035 0.000 1.246 796 H CB -0.693 29.097 29.762 0.046 0.000 1.358 796 H HN 0.230 nan 8.280 nan 0.000 0.488 797 T N 1.154 115.747 114.554 0.064 0.000 2.778 797 T HA -0.190 4.157 4.350 -0.005 0.000 0.269 797 T C 2.118 176.756 174.700 -0.104 0.000 1.050 797 T CA 1.302 63.386 62.100 -0.027 0.000 1.137 797 T CB -0.467 68.444 68.868 0.072 0.000 0.860 797 T HN 0.170 nan 8.240 nan 0.000 0.468 798 L N 0.946 122.061 121.223 -0.180 0.000 1.988 798 L HA -0.019 4.319 4.340 -0.005 0.000 0.207 798 L C 2.571 179.383 176.870 -0.097 0.000 1.071 798 L CA 1.768 56.418 54.840 -0.316 0.000 0.744 798 L CB -0.915 40.865 42.059 -0.466 0.000 0.893 798 L HN 0.143 nan 8.230 nan 0.000 0.433 799 Q N -0.887 118.858 119.800 -0.092 0.000 2.133 799 Q HA -0.299 4.038 4.340 -0.005 0.000 0.208 799 Q C 2.292 178.249 176.000 -0.072 0.000 0.991 799 Q CA 2.364 58.127 55.803 -0.067 0.000 0.867 799 Q CB -0.206 28.495 28.738 -0.061 0.000 0.911 799 Q HN 0.621 nan 8.270 nan 0.000 0.417 800 Q N -0.493 119.214 119.800 -0.156 0.000 1.985 800 Q HA -0.252 4.086 4.340 -0.005 0.000 0.207 800 Q C 2.191 178.183 176.000 -0.013 0.000 0.996 800 Q CA 1.514 57.230 55.803 -0.144 0.000 0.851 800 Q CB -0.346 28.266 28.738 -0.210 0.000 0.921 800 Q HN 0.469 nan 8.270 nan 0.000 0.418 801 A N 0.137 122.975 122.820 0.029 0.000 1.903 801 A HA -0.197 4.120 4.320 -0.005 0.000 0.219 801 A C 2.118 179.886 177.584 0.307 0.000 1.191 801 A CA 1.993 54.119 52.037 0.148 0.000 0.638 801 A CB -0.851 18.272 19.000 0.205 0.000 0.823 801 A HN 0.347 nan 8.150 nan 0.000 0.451 802 V N -1.312 118.767 119.914 0.275 0.000 3.608 802 V HA -0.007 4.110 4.120 -0.005 0.000 0.269 802 V C 2.079 178.241 176.094 0.113 0.000 1.245 802 V CA 2.111 64.571 62.300 0.266 0.000 1.138 802 V CB -0.296 31.634 31.823 0.178 0.000 0.841 802 V HN 0.621 nan 8.190 nan 0.000 0.451 803 T N 0.546 115.143 114.554 0.071 0.000 2.925 803 T HA 0.020 4.368 4.350 -0.005 0.000 0.245 803 T C 1.623 176.346 174.700 0.039 0.000 1.025 803 T CA 0.993 63.108 62.100 0.023 0.000 1.149 803 T CB -0.172 68.689 68.868 -0.010 0.000 0.866 803 T HN 0.418 nan 8.240 nan 0.000 0.437 804 N N 1.891 120.619 118.700 0.046 0.000 2.453 804 N HA -0.077 4.660 4.740 -0.005 0.000 0.183 804 N C 0.469 176.035 175.510 0.093 0.000 1.041 804 N CA 0.819 53.899 53.050 0.049 0.000 0.900 804 N CB -0.317 38.190 38.487 0.034 0.000 0.961 804 N HN 0.441 nan 8.380 nan 0.000 0.443 805 D N 0.234 120.728 120.400 0.156 0.000 2.716 805 D HA -0.156 4.482 4.640 -0.005 0.000 0.239 805 D C -0.880 175.598 176.300 0.298 0.000 1.125 805 D CA 0.616 54.780 54.000 0.274 0.000 0.681 805 D CB -1.543 39.354 40.800 0.161 0.000 1.070 805 D HN 0.292 nan 8.370 nan 0.000 0.432 806 S N -0.090 115.720 115.700 0.183 0.000 2.451 806 S HA 0.443 4.910 4.470 -0.005 0.000 0.301 806 S C 0.832 175.307 174.600 -0.207 0.000 1.116 806 S CA -0.608 57.623 58.200 0.053 0.000 1.093 806 S CB 1.541 64.747 63.200 0.010 0.000 1.017 806 S HN 0.215 nan 8.310 nan 0.000 0.482 807 Y N 4.072 124.137 120.300 -0.391 0.000 2.314 807 Y HA 0.017 4.565 4.550 -0.004 0.000 0.293 807 Y C 2.208 177.911 175.900 -0.329 0.000 1.129 807 Y CA 1.932 59.584 58.100 -0.748 0.000 1.201 807 Y CB -0.959 37.309 38.460 -0.320 0.000 0.999 807 Y HN 0.771 nan 8.280 nan 0.000 0.541 808 T N -0.565 113.853 114.554 -0.226 0.000 2.788 808 T HA -0.154 4.193 4.350 -0.005 0.000 0.268 808 T C 1.764 176.358 174.700 -0.177 0.000 1.044 808 T CA 2.039 64.007 62.100 -0.219 0.000 1.139 808 T CB -0.406 68.404 68.868 -0.095 0.000 0.867 808 T HN 0.380 nan 8.240 nan 0.000 0.454 809 T N 1.458 115.938 114.554 -0.123 0.000 2.857 809 T HA 0.032 4.379 4.350 -0.005 0.000 0.266 809 T C 1.496 176.164 174.700 -0.054 0.000 1.048 809 T CA 0.527 62.588 62.100 -0.066 0.000 1.139 809 T CB -0.412 68.441 68.868 -0.026 0.000 0.874 809 T HN 0.315 nan 8.240 nan 0.000 0.455 810 F N 2.122 121.918 119.950 -0.256 0.000 2.095 810 F HA -0.065 4.460 4.527 -0.004 0.000 0.298 810 F C 2.081 177.840 175.800 -0.068 0.000 1.104 810 F CA 1.331 59.247 58.000 -0.139 0.000 1.232 810 F CB -0.173 38.580 39.000 -0.411 0.000 0.987 810 F HN -0.049 nan 8.300 nan 0.000 0.475 811 K N 0.251 120.527 120.400 -0.208 0.000 2.585 811 K HA -0.178 4.140 4.320 -0.005 0.000 0.194 811 K C 1.715 178.194 176.600 -0.203 0.000 1.037 811 K CA 1.138 57.264 56.287 -0.269 0.000 0.964 811 K CB -0.099 32.148 32.500 -0.420 0.000 0.787 811 K HN 0.481 nan 8.250 nan 0.000 0.488 812 K N -1.485 118.828 120.400 -0.146 0.000 2.399 812 K HA -0.059 4.258 4.320 -0.005 0.000 0.196 812 K C 1.822 178.367 176.600 -0.092 0.000 1.117 812 K CA -0.067 56.157 56.287 -0.104 0.000 0.965 812 K CB -0.240 32.225 32.500 -0.059 0.000 0.983 812 K HN 0.033 nan 8.250 nan 0.000 0.531 813 Y N 3.176 123.341 120.300 -0.225 0.000 2.089 813 Y HA -0.232 4.315 4.550 -0.005 0.000 0.282 813 Y C 2.411 178.156 175.900 -0.259 0.000 1.139 813 Y CA 2.342 60.306 58.100 -0.228 0.000 1.123 813 Y CB -0.815 37.454 38.460 -0.318 0.000 0.980 813 Y HN 0.223 nan 8.280 nan 0.000 0.493 814 S N -0.251 114.861 115.700 -0.981 0.000 2.387 814 S HA -0.299 4.168 4.470 -0.005 0.000 0.230 814 S C 1.928 176.227 174.600 -0.502 0.000 1.035 814 S CA 1.610 59.253 58.200 -0.928 0.000 1.014 814 S CB -0.764 62.114 63.200 -0.536 0.000 0.836 814 S HN 0.621 nan 8.310 nan 0.000 0.466 815 E N 1.448 121.451 120.200 -0.328 0.000 2.072 815 E HA -0.093 4.255 4.350 -0.005 0.000 0.191 815 E C 2.306 178.792 176.600 -0.190 0.000 0.985 815 E CA 1.410 57.686 56.400 -0.207 0.000 0.801 815 E CB -0.577 29.037 29.700 -0.144 0.000 0.750 815 E HN 0.725 nan 8.360 nan 0.000 0.452 816 Q N -0.672 119.017 119.800 -0.185 0.000 2.152 816 Q HA -0.144 4.193 4.340 -0.005 0.000 0.206 816 Q C 2.113 178.010 176.000 -0.172 0.000 0.985 816 Q CA 1.625 57.354 55.803 -0.124 0.000 0.863 816 Q CB 0.021 28.727 28.738 -0.052 0.000 0.904 816 Q HN 0.212 nan 8.270 nan 0.000 0.422 817 V N 0.825 120.561 119.914 -0.297 0.000 2.535 817 V HA -0.141 3.976 4.120 -0.005 0.000 0.246 817 V C 1.336 177.281 176.094 -0.249 0.000 1.045 817 V CA 1.301 63.411 62.300 -0.317 0.000 1.058 817 V CB -0.169 31.342 31.823 -0.520 0.000 0.689 817 V HN 0.362 nan 8.190 nan 0.000 0.461 818 N N -0.154 118.403 118.700 -0.238 0.000 2.446 818 N HA -0.021 4.716 4.740 -0.005 0.000 0.179 818 N C 1.393 176.829 175.510 -0.124 0.000 1.054 818 N CA 0.523 53.471 53.050 -0.171 0.000 0.905 818 N CB -0.030 38.364 38.487 -0.156 0.000 0.973 818 N HN 0.243 nan 8.380 nan 0.000 0.448 819 K N 0.967 121.297 120.400 -0.117 0.000 2.417 819 K HA 0.149 4.466 4.320 -0.005 0.000 0.196 819 K C 0.559 177.115 176.600 -0.073 0.000 1.023 819 K CA 0.024 56.261 56.287 -0.083 0.000 1.122 819 K CB 0.423 32.881 32.500 -0.071 0.000 0.850 819 K HN 0.307 nan 8.250 nan 0.000 0.521 820 R N 0.922 121.371 120.500 -0.086 0.000 2.517 820 R HA 0.311 4.648 4.340 -0.005 0.000 0.250 820 R C -2.109 174.154 176.300 -0.062 0.000 1.213 820 R CA -1.686 54.373 56.100 -0.069 0.000 1.146 820 R CB -0.942 29.310 30.300 -0.080 0.000 1.279 820 R HN -0.132 nan 8.270 nan 0.000 0.597 821 P HA 0.182 nan 4.420 nan 0.000 0.272 821 P C -2.489 174.775 177.300 -0.061 0.000 1.240 821 P CA -1.327 61.746 63.100 -0.046 0.000 0.791 821 P CB -0.324 31.356 31.700 -0.032 0.000 0.978 822 P HA 0.250 nan 4.420 nan 0.000 0.271 822 P C -0.021 177.231 177.300 -0.080 0.000 1.216 822 P CA 0.206 63.262 63.100 -0.073 0.000 0.776 822 P CB 0.397 32.059 31.700 -0.064 0.000 0.881 823 M N 0.475 120.015 119.600 -0.100 0.000 2.231 823 M HA 0.189 4.666 4.480 -0.005 0.000 0.347 823 M C -0.441 175.786 176.300 -0.122 0.000 0.901 823 M CA 0.463 55.698 55.300 -0.108 0.000 1.064 823 M CB 0.756 33.281 32.600 -0.126 0.000 1.861 823 M HN 0.244 nan 8.290 nan 0.000 0.638 824 Q N -0.503 119.217 119.800 -0.133 0.000 2.391 824 Q HA 0.397 4.734 4.340 -0.005 0.000 0.279 824 Q C 0.132 176.030 176.000 -0.170 0.000 1.028 824 Q CA -0.249 55.454 55.803 -0.167 0.000 0.836 824 Q CB 1.839 30.466 28.738 -0.185 0.000 1.414 824 Q HN 0.241 nan 8.270 nan 0.000 0.397 825 L N 1.452 122.558 121.223 -0.196 0.000 2.127 825 L HA -0.234 4.103 4.340 -0.005 0.000 0.211 825 L C 1.850 178.616 176.870 -0.174 0.000 1.089 825 L CA 1.774 56.512 54.840 -0.170 0.000 0.757 825 L CB -0.457 41.501 42.059 -0.169 0.000 0.899 825 L HN 0.599 nan 8.230 nan 0.000 0.434 826 R N -0.315 120.042 120.500 -0.239 0.000 2.152 826 R HA -0.139 4.198 4.340 -0.005 0.000 0.232 826 R C 1.428 177.662 176.300 -0.109 0.000 1.117 826 R CA 1.384 57.376 56.100 -0.180 0.000 0.981 826 R CB -0.788 29.393 30.300 -0.197 0.000 0.870 826 R HN 0.265 nan 8.270 nan 0.000 0.451 827 D N 1.500 121.829 120.400 -0.119 0.000 2.221 827 D HA -0.095 4.543 4.640 -0.005 0.000 0.204 827 D C 1.547 177.806 176.300 -0.067 0.000 0.982 827 D CA 0.970 54.916 54.000 -0.091 0.000 0.857 827 D CB -0.027 40.713 40.800 -0.100 0.000 0.934 827 D HN 0.295 nan 8.370 nan 0.000 0.475 828 L N 0.126 121.308 121.223 -0.067 0.000 2.645 828 L HA 0.131 4.468 4.340 -0.005 0.000 0.235 828 L C 0.172 177.027 176.870 -0.024 0.000 1.150 828 L CA 0.082 54.895 54.840 -0.044 0.000 0.911 828 L CB -0.210 41.822 42.059 -0.045 0.000 1.077 828 L HN -0.130 nan 8.230 nan 0.000 0.438 829 L N -0.365 120.844 121.223 -0.023 0.000 2.356 829 L HA 0.429 4.767 4.340 -0.005 0.000 0.277 829 L C 0.064 176.951 176.870 0.028 0.000 0.996 829 L CA -0.399 54.445 54.840 0.005 0.000 0.822 829 L CB 2.191 44.246 42.059 -0.006 0.000 1.256 829 L HN 0.008 nan 8.230 nan 0.000 0.413 830 E N 3.623 123.864 120.200 0.068 0.000 2.322 830 E HA 0.555 4.902 4.350 -0.005 0.000 0.257 830 E C -1.292 175.392 176.600 0.140 0.000 1.155 830 E CA -0.677 55.771 56.400 0.080 0.000 0.936 830 E CB 1.281 31.023 29.700 0.069 0.000 1.130 830 E HN 0.505 nan 8.360 nan 0.000 0.465 831 L N 2.973 124.272 121.223 0.127 0.000 2.427 831 L HA 0.497 4.834 4.340 -0.005 0.000 0.264 831 L C -0.029 176.939 176.870 0.163 0.000 0.989 831 L CA -0.496 54.441 54.840 0.162 0.000 0.865 831 L CB 1.379 43.500 42.059 0.103 0.000 1.209 831 L HN 0.507 nan 8.230 nan 0.000 0.430 832 R N 1.316 121.967 120.500 0.251 0.000 2.828 832 R HA 0.782 5.119 4.340 -0.005 0.000 0.264 832 R C -0.433 176.007 176.300 0.233 0.000 1.022 832 R CA -0.228 55.937 56.100 0.108 0.000 1.021 832 R CB 2.333 32.524 30.300 -0.182 0.000 1.163 832 R HN 0.655 nan 8.270 nan 0.000 0.494 833 S N -1.056 114.735 115.700 0.152 0.000 2.638 833 S HA 0.228 4.695 4.470 -0.005 0.000 0.274 833 S C -0.067 174.586 174.600 0.088 0.000 1.157 833 S CA -0.319 57.989 58.200 0.180 0.000 0.826 833 S CB 1.678 65.004 63.200 0.211 0.000 1.139 833 S HN 0.696 nan 8.310 nan 0.000 0.474 834 T N -0.584 114.010 114.554 0.067 0.000 3.134 834 T HA 0.404 4.751 4.350 -0.005 0.000 0.260 834 T C 0.133 174.815 174.700 -0.030 0.000 1.027 834 T CA -0.369 61.743 62.100 0.020 0.000 0.913 834 T CB -0.332 68.556 68.868 0.034 0.000 1.046 834 T HN 0.534 nan 8.240 nan 0.000 0.553 835 K N 1.127 121.476 120.400 -0.086 0.000 2.106 835 K HA 0.782 5.100 4.320 -0.005 0.000 0.246 835 K C -0.276 176.264 176.600 -0.100 0.000 0.987 835 K CA -0.831 55.370 56.287 -0.144 0.000 0.904 835 K CB 1.606 33.914 32.500 -0.320 0.000 1.071 835 K HN 0.231 nan 8.250 nan 0.000 0.453 836 A N 1.904 124.672 122.820 -0.088 0.000 2.282 836 A HA 0.511 4.829 4.320 -0.005 0.000 0.319 836 A C -2.372 175.173 177.584 -0.066 0.000 1.121 836 A CA -1.630 50.373 52.037 -0.057 0.000 0.836 836 A CB 0.046 19.021 19.000 -0.041 0.000 1.146 836 A HN 0.410 nan 8.150 nan 0.000 0.494 837 P HA 0.298 nan 4.420 nan 0.000 0.268 837 P C -0.825 176.460 177.300 -0.026 0.000 1.205 837 P CA 0.036 63.120 63.100 -0.026 0.000 0.771 837 P CB 0.675 32.371 31.700 -0.008 0.000 0.858 838 V N 4.774 124.677 119.914 -0.018 0.000 2.769 838 V HA 0.406 4.524 4.120 -0.005 0.000 0.312 838 V C -2.068 174.029 176.094 0.006 0.000 1.058 838 V CA -2.027 60.267 62.300 -0.011 0.000 0.952 838 V CB 1.677 33.494 31.823 -0.009 0.000 1.019 838 V HN 0.591 nan 8.190 nan 0.000 0.445 839 P HA 0.087 nan 4.420 nan 0.000 0.267 839 P C 1.065 178.375 177.300 0.017 0.000 1.209 839 P CA 0.251 63.358 63.100 0.012 0.000 0.763 839 P CB 1.152 32.857 31.700 0.008 0.000 0.816 840 V N 3.821 123.749 119.914 0.023 0.000 2.277 840 V HA -0.350 3.767 4.120 -0.005 0.000 0.255 840 V C 1.777 177.880 176.094 0.016 0.000 1.074 840 V CA 2.698 65.013 62.300 0.025 0.000 1.058 840 V CB -1.347 30.494 31.823 0.029 0.000 0.656 840 V HN 0.540 nan 8.190 nan 0.000 0.449 841 D N -0.353 120.054 120.400 0.011 0.000 2.191 841 D HA -0.247 4.390 4.640 -0.005 0.000 0.195 841 D C 2.029 178.333 176.300 0.006 0.000 1.003 841 D CA 1.675 55.678 54.000 0.006 0.000 0.867 841 D CB -0.329 40.474 40.800 0.005 0.000 0.926 841 D HN 0.587 nan 8.370 nan 0.000 0.450 842 E N 0.094 120.300 120.200 0.010 0.000 2.150 842 E HA -0.025 4.323 4.350 -0.005 0.000 0.193 842 E C 0.434 177.043 176.600 0.016 0.000 0.985 842 E CA 0.144 56.551 56.400 0.011 0.000 0.814 842 E CB 0.241 29.948 29.700 0.012 0.000 0.752 842 E HN 0.069 nan 8.360 nan 0.000 0.466 843 V N 2.033 121.958 119.914 0.020 0.000 3.178 843 V HA -0.116 4.001 4.120 -0.005 0.000 0.306 843 V C 0.844 176.944 176.094 0.009 0.000 1.107 843 V CA 0.157 62.471 62.300 0.024 0.000 1.195 843 V CB 0.729 32.568 31.823 0.026 0.000 0.993 843 V HN 0.241 nan 8.190 nan 0.000 0.493 844 E N 1.247 121.452 120.200 0.009 0.000 2.485 844 E HA 0.029 4.376 4.350 -0.005 0.000 0.266 844 E C 0.478 177.064 176.600 -0.023 0.000 1.137 844 E CA 0.328 56.724 56.400 -0.007 0.000 1.010 844 E CB 0.444 30.137 29.700 -0.012 0.000 0.986 844 E HN 0.915 nan 8.360 nan 0.000 0.460 845 S N 2.263 117.943 115.700 -0.034 0.000 2.632 845 S HA 0.146 4.613 4.470 -0.005 0.000 0.267 845 S C 1.305 175.864 174.600 -0.070 0.000 1.276 845 S CA -0.631 57.542 58.200 -0.045 0.000 0.998 845 S CB 0.697 63.871 63.200 -0.043 0.000 0.953 845 S HN 0.578 nan 8.310 nan 0.000 0.547 846 I N 1.122 121.646 120.570 -0.076 0.000 2.252 846 I HA -0.153 4.014 4.170 -0.005 0.000 0.245 846 I C 2.573 178.621 176.117 -0.116 0.000 1.102 846 I CA 1.279 62.517 61.300 -0.104 0.000 1.385 846 I CB -0.979 36.966 38.000 -0.092 0.000 1.064 846 I HN 0.741 nan 8.210 nan 0.000 0.414 847 T N 1.145 115.648 114.554 -0.086 0.000 2.699 847 T HA -0.258 4.090 4.350 -0.005 0.000 0.268 847 T C 2.038 176.681 174.700 -0.095 0.000 1.036 847 T CA 1.604 63.656 62.100 -0.080 0.000 1.147 847 T CB -0.423 68.409 68.868 -0.060 0.000 0.862 847 T HN 0.503 nan 8.240 nan 0.000 0.446 848 A N 1.667 124.433 122.820 -0.090 0.000 1.834 848 A HA -0.073 4.244 4.320 -0.005 0.000 0.216 848 A C 2.327 179.821 177.584 -0.150 0.000 1.203 848 A CA 1.559 53.541 52.037 -0.091 0.000 0.621 848 A CB -0.944 18.013 19.000 -0.072 0.000 0.841 848 A HN 0.494 nan 8.150 nan 0.000 0.446 849 I N -0.714 119.743 120.570 -0.188 0.000 2.151 849 I HA -0.325 3.842 4.170 -0.005 0.000 0.243 849 I C 2.746 178.500 176.117 -0.605 0.000 1.080 849 I CA 1.729 62.831 61.300 -0.330 0.000 1.339 849 I CB -0.687 37.125 38.000 -0.312 0.000 1.039 849 I HN 0.355 nan 8.210 nan 0.000 0.409 850 R N 1.170 121.365 120.500 -0.508 0.000 2.117 850 R HA -0.209 4.128 4.340 -0.005 0.000 0.243 850 R C 2.189 178.286 176.300 -0.338 0.000 1.143 850 R CA 1.363 57.149 56.100 -0.524 0.000 0.968 850 R CB -0.501 29.733 30.300 -0.109 0.000 0.863 850 R HN 0.384 nan 8.270 nan 0.000 0.444 851 K N 0.437 120.719 120.400 -0.197 0.000 2.286 851 K HA -0.136 4.182 4.320 -0.005 0.000 0.203 851 K C 1.882 178.460 176.600 -0.036 0.000 1.045 851 K CA 1.181 57.423 56.287 -0.074 0.000 0.935 851 K CB -0.057 32.407 32.500 -0.059 0.000 0.737 851 K HN 0.139 nan 8.250 nan 0.000 0.460 852 R N -0.345 120.095 120.500 -0.101 0.000 2.323 852 R HA 0.042 4.379 4.340 -0.005 0.000 0.198 852 R C -0.221 176.313 176.300 0.390 0.000 0.988 852 R CA 0.056 56.228 56.100 0.119 0.000 1.041 852 R CB 0.155 30.618 30.300 0.271 0.000 0.926 852 R HN -0.028 nan 8.270 nan 0.000 0.476 853 F N 1.324 121.328 119.950 0.090 0.000 2.379 853 F HA 0.437 4.962 4.527 -0.004 0.000 0.332 853 F C 0.583 176.448 175.800 0.108 0.000 1.096 853 F CA -2.341 55.668 58.000 0.015 0.000 1.105 853 F CB 0.768 39.626 39.000 -0.236 0.000 1.189 853 F HN -0.154 nan 8.300 nan 0.000 0.515 854 I N -1.684 119.040 120.570 0.257 0.000 2.994 854 I HA 0.568 4.735 4.170 -0.005 0.000 0.306 854 I C -0.839 175.428 176.117 0.251 0.000 1.195 854 I CA -0.628 60.824 61.300 0.254 0.000 1.001 854 I CB 2.425 40.497 38.000 0.120 0.000 1.244 854 I HN 0.289 nan 8.210 nan 0.000 0.437 855 T N 4.954 119.655 114.554 0.244 0.000 2.744 855 T HA 0.492 4.839 4.350 -0.005 0.000 0.291 855 T C -2.329 172.422 174.700 0.085 0.000 0.957 855 T CA -1.060 61.156 62.100 0.192 0.000 1.002 855 T CB 1.047 69.984 68.868 0.116 0.000 0.919 855 T HN 0.478 nan 8.240 nan 0.000 0.468 856 P HA 0.171 nan 4.420 nan 0.000 0.276 856 P C -0.064 177.254 177.300 0.030 0.000 1.264 856 P CA -0.248 62.876 63.100 0.039 0.000 0.815 856 P CB 0.365 32.089 31.700 0.040 0.000 1.121 857 G N 0.117 108.939 108.800 0.036 0.000 2.428 857 G HA2 0.558 4.515 3.960 -0.005 0.000 0.320 857 G HA3 0.558 4.515 3.960 -0.005 0.000 0.320 857 G C -0.742 174.198 174.900 0.066 0.000 1.098 857 G CA -0.419 44.711 45.100 0.050 0.000 0.984 857 G HN 0.203 nan 8.290 nan 0.000 0.444 858 M N 2.500 122.144 119.600 0.073 0.000 2.181 858 M HA 0.292 4.769 4.480 -0.005 0.000 0.323 858 M C 0.552 176.965 176.300 0.188 0.000 1.004 858 M CA -0.693 54.666 55.300 0.099 0.000 0.941 858 M CB 2.287 34.930 32.600 0.072 0.000 1.579 858 M HN 0.528 nan 8.290 nan 0.000 0.427 859 S N 3.500 119.292 115.700 0.153 0.000 2.562 859 S HA 0.302 4.769 4.470 -0.005 0.000 0.281 859 S C -0.077 174.576 174.600 0.088 0.000 1.333 859 S CA -0.673 57.617 58.200 0.150 0.000 1.052 859 S CB 0.591 63.842 63.200 0.085 0.000 0.884 859 S HN 0.759 nan 8.310 nan 0.000 0.506 860 M N 5.304 124.842 119.600 -0.103 0.000 2.292 860 M HA 0.493 4.970 4.480 -0.005 0.000 0.342 860 M C 0.812 177.019 176.300 -0.155 0.000 1.538 860 M CA 1.468 56.563 55.300 -0.341 0.000 1.163 860 M CB -0.703 31.546 32.600 -0.584 0.000 1.823 860 M HN 1.101 nan 8.290 nan 0.000 0.462 861 G N 2.981 111.722 108.800 -0.099 0.000 3.432 861 G HA2 -0.127 3.830 3.960 -0.005 0.000 0.188 861 G HA3 -0.127 3.830 3.960 -0.005 0.000 0.188 861 G C 0.817 175.694 174.900 -0.039 0.000 2.301 861 G CA 0.082 45.134 45.100 -0.081 0.000 1.337 861 G HN 0.970 nan 8.290 nan 0.000 0.406 862 A N 0.427 123.242 122.820 -0.010 0.000 1.917 862 A HA 0.357 4.674 4.320 -0.005 0.000 0.219 862 A C 1.361 178.960 177.584 0.024 0.000 1.182 862 A CA 2.363 54.410 52.037 0.018 0.000 0.633 862 A CB -0.862 18.161 19.000 0.039 0.000 0.819 862 A HN 1.591 nan 8.150 nan 0.000 0.448 863 L N -2.246 118.994 121.223 0.029 0.000 2.325 863 L HA 0.667 5.004 4.340 -0.005 0.000 0.278 863 L C 0.395 177.248 176.870 -0.028 0.000 1.023 863 L CA -0.720 54.135 54.840 0.026 0.000 0.811 863 L CB 0.852 42.946 42.059 0.058 0.000 1.249 863 L HN 0.189 nan 8.230 nan 0.000 0.431 864 S N 1.368 117.031 115.700 -0.062 0.000 2.558 864 S HA 0.208 4.675 4.470 -0.005 0.000 0.287 864 S C -1.601 172.923 174.600 -0.127 0.000 1.321 864 S CA -0.218 57.913 58.200 -0.115 0.000 1.048 864 S CB 0.261 63.336 63.200 -0.208 0.000 0.844 864 S HN 0.723 nan 8.310 nan 0.000 0.512 865 P HA -0.049 nan 4.420 nan 0.000 0.218 865 P C 0.984 178.235 177.300 -0.081 0.000 1.148 865 P CA 1.207 64.246 63.100 -0.101 0.000 0.822 865 P CB 0.048 31.683 31.700 -0.110 0.000 0.784 866 E N -0.261 119.809 120.200 -0.217 0.000 2.028 866 E HA -0.096 4.251 4.350 -0.005 0.000 0.190 866 E C 2.176 178.513 176.600 -0.438 0.000 0.984 866 E CA 1.410 57.624 56.400 -0.309 0.000 0.800 866 E CB -1.339 28.108 29.700 -0.422 0.000 0.758 866 E HN 0.082 nan 8.360 nan 0.000 0.448 867 A N 1.318 123.718 122.820 -0.699 0.000 1.892 867 A HA -0.296 4.021 4.320 -0.005 0.000 0.218 867 A C 2.117 179.677 177.584 -0.040 0.000 1.188 867 A CA 1.964 53.767 52.037 -0.389 0.000 0.631 867 A CB -0.907 17.956 19.000 -0.228 0.000 0.822 867 A HN 0.368 nan 8.150 nan 0.000 0.447 868 H N -0.735 118.281 119.070 -0.090 0.000 2.446 868 H HA -0.161 4.393 4.556 -0.005 0.000 0.296 868 H C 2.484 177.833 175.328 0.034 0.000 1.047 868 H CA 2.118 58.160 56.048 -0.010 0.000 1.156 868 H CB -0.798 28.966 29.762 0.003 0.000 1.405 868 H HN 0.411 nan 8.280 nan 0.000 0.588 869 G N -0.447 108.558 108.800 0.342 0.000 2.681 869 G HA2 -0.377 3.580 3.960 -0.005 0.000 0.224 869 G HA3 -0.377 3.580 3.960 -0.005 0.000 0.224 869 G C 1.715 176.619 174.900 0.008 0.000 1.100 869 G CA 1.884 47.204 45.100 0.366 0.000 0.743 869 G HN 0.479 nan 8.290 nan 0.000 0.612 870 T N 1.151 115.724 114.554 0.032 0.000 2.635 870 T HA -0.114 4.234 4.350 -0.005 0.000 0.267 870 T C 2.370 176.977 174.700 -0.155 0.000 1.040 870 T CA 1.229 63.296 62.100 -0.055 0.000 1.156 870 T CB -0.288 68.650 68.868 0.117 0.000 0.863 870 T HN 0.227 nan 8.240 nan 0.000 0.430 871 L N 1.191 122.343 121.223 -0.118 0.000 1.956 871 L HA -0.214 4.124 4.340 -0.005 0.000 0.216 871 L C 2.611 179.365 176.870 -0.194 0.000 1.073 871 L CA 1.460 56.203 54.840 -0.161 0.000 0.762 871 L CB -0.789 41.175 42.059 -0.158 0.000 0.889 871 L HN 0.241 nan 8.230 nan 0.000 0.433 872 N N -0.405 118.189 118.700 -0.177 0.000 2.247 872 N HA -0.168 4.569 4.740 -0.005 0.000 0.189 872 N C 1.668 177.043 175.510 -0.226 0.000 1.009 872 N CA 1.321 54.281 53.050 -0.150 0.000 0.872 872 N CB -0.538 37.919 38.487 -0.049 0.000 0.980 872 N HN 0.211 nan 8.380 nan 0.000 0.436 873 V N 0.890 120.593 119.914 -0.351 0.000 2.346 873 V HA -0.049 4.068 4.120 -0.005 0.000 0.244 873 V C 2.408 178.322 176.094 -0.300 0.000 1.037 873 V CA 1.473 63.510 62.300 -0.438 0.000 1.029 873 V CB -0.938 30.460 31.823 -0.709 0.000 0.663 873 V HN 0.274 nan 8.190 nan 0.000 0.454 874 A N 0.243 122.897 122.820 -0.278 0.000 1.865 874 A HA -0.238 4.079 4.320 -0.005 0.000 0.217 874 A C 2.242 179.675 177.584 -0.252 0.000 1.191 874 A CA 2.280 54.156 52.037 -0.268 0.000 0.623 874 A CB -0.562 18.253 19.000 -0.308 0.000 0.826 874 A HN 0.389 nan 8.150 nan 0.000 0.444 875 M N 0.430 119.888 119.600 -0.238 0.000 2.065 875 M HA -0.142 4.336 4.480 -0.005 0.000 0.259 875 M C 1.644 177.873 176.300 -0.119 0.000 1.069 875 M CA 1.378 56.580 55.300 -0.164 0.000 1.110 875 M CB -2.063 30.480 32.600 -0.096 0.000 1.328 875 M HN 0.398 nan 8.290 nan 0.000 0.405 876 N N 0.135 118.761 118.700 -0.123 0.000 2.334 876 N HA -0.176 4.561 4.740 -0.005 0.000 0.187 876 N C 1.766 177.213 175.510 -0.104 0.000 1.016 876 N CA 0.867 53.858 53.050 -0.098 0.000 0.879 876 N CB -0.419 38.009 38.487 -0.098 0.000 0.965 876 N HN 0.442 nan 8.380 nan 0.000 0.438 877 R N 1.026 121.446 120.500 -0.134 0.000 2.153 877 R HA 0.068 4.405 4.340 -0.005 0.000 0.218 877 R C 1.464 177.705 176.300 -0.099 0.000 1.072 877 R CA 0.601 56.628 56.100 -0.122 0.000 0.990 877 R CB 0.118 30.330 30.300 -0.147 0.000 0.889 877 R HN 0.286 nan 8.270 nan 0.000 0.452 878 I N -3.634 116.877 120.570 -0.098 0.000 3.877 878 I HA 0.450 4.617 4.170 -0.005 0.000 0.332 878 I C 0.435 176.524 176.117 -0.048 0.000 1.525 878 I CA 0.138 61.394 61.300 -0.074 0.000 1.146 878 I CB 0.825 38.781 38.000 -0.074 0.000 1.137 878 I HN 0.163 nan 8.210 nan 0.000 0.424 879 G N 1.504 110.275 108.800 -0.048 0.000 2.179 879 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.257 879 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.257 879 G C 0.351 175.241 174.900 -0.016 0.000 1.010 879 G CA 0.414 45.493 45.100 -0.034 0.000 0.736 879 G HN 0.889 nan 8.290 nan 0.000 0.513 880 A N -0.832 121.988 122.820 -0.001 0.000 3.847 880 A HA 0.952 5.269 4.320 -0.005 0.000 0.152 880 A C 0.490 178.092 177.584 0.031 0.000 1.527 880 A CA 0.227 52.288 52.037 0.041 0.000 1.022 880 A CB 0.887 19.964 19.000 0.129 0.000 1.715 880 A HN 0.450 nan 8.150 nan 0.000 0.650 881 K N -0.635 119.805 120.400 0.066 0.000 2.477 881 K HA 0.585 4.902 4.320 -0.005 0.000 0.255 881 K C -1.371 175.251 176.600 0.038 0.000 0.952 881 K CA -0.447 55.859 56.287 0.032 0.000 0.826 881 K CB 2.289 34.801 32.500 0.021 0.000 1.331 881 K HN 0.790 nan 8.250 nan 0.000 0.437 882 S N -0.332 115.369 115.700 0.001 0.000 2.599 882 S HA 0.419 4.886 4.470 -0.005 0.000 0.287 882 S C -1.370 173.222 174.600 -0.014 0.000 1.105 882 S CA -0.884 57.309 58.200 -0.012 0.000 0.899 882 S CB 2.020 65.183 63.200 -0.061 0.000 1.100 882 S HN 0.560 nan 8.310 nan 0.000 0.482 883 D N 1.012 121.402 120.400 -0.016 0.000 2.453 883 D HA 0.312 4.949 4.640 -0.005 0.000 0.238 883 D C 1.434 177.755 176.300 0.035 0.000 1.088 883 D CA -0.153 53.853 54.000 0.010 0.000 0.854 883 D CB 1.725 42.536 40.800 0.020 0.000 1.076 883 D HN 0.567 nan 8.370 nan 0.000 0.533 884 S N 3.355 119.107 115.700 0.087 0.000 2.461 884 S HA -0.190 4.277 4.470 -0.005 0.000 0.266 884 S C 1.239 176.003 174.600 0.273 0.000 1.138 884 S CA 1.885 60.220 58.200 0.224 0.000 1.146 884 S CB -0.957 62.415 63.200 0.287 0.000 1.042 884 S HN 1.332 nan 8.310 nan 0.000 0.448 885 G N 0.338 109.250 108.800 0.187 0.000 2.746 885 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.685 885 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.685 885 G C -0.131 174.874 174.900 0.175 0.000 1.350 885 G CA 0.252 45.455 45.100 0.171 0.000 0.837 885 G HN 0.624 nan 8.290 nan 0.000 0.564 886 E N -0.013 120.266 120.200 0.132 0.000 2.501 886 E HA 0.057 4.405 4.350 -0.005 0.000 0.203 886 E C 2.077 178.776 176.600 0.165 0.000 1.072 886 E CA 2.141 58.613 56.400 0.120 0.000 0.885 886 E CB -0.653 29.106 29.700 0.098 0.000 0.813 886 E HN 0.902 nan 8.360 nan 0.000 0.556 887 G N -0.293 108.595 108.800 0.147 0.000 2.551 887 G HA2 0.345 4.302 3.960 -0.005 0.000 0.214 887 G HA3 0.345 4.302 3.960 -0.005 0.000 0.214 887 G C 0.676 175.598 174.900 0.036 0.000 1.250 887 G CA 0.277 45.430 45.100 0.089 0.000 0.825 887 G HN 0.549 nan 8.290 nan 0.000 0.549 888 G N -1.783 107.025 108.800 0.015 0.000 2.337 888 G HA2 0.432 4.389 3.960 -0.005 0.000 0.298 888 G HA3 0.432 4.389 3.960 -0.005 0.000 0.298 888 G C -1.992 172.939 174.900 0.051 0.000 1.335 888 G CA -0.546 44.495 45.100 -0.099 0.000 0.875 888 G HN 0.334 nan 8.290 nan 0.000 0.579 889 E N -0.274 119.991 120.200 0.108 0.000 2.321 889 E HA 0.322 4.669 4.350 -0.005 0.000 0.278 889 E C -1.682 174.918 176.600 -0.000 0.000 0.902 889 E CA -0.774 55.714 56.400 0.147 0.000 0.758 889 E CB 2.649 32.559 29.700 0.349 0.000 1.213 889 E HN 0.552 nan 8.360 nan 0.000 0.426 890 D N 4.315 124.639 120.400 -0.127 0.000 2.371 890 D HA 0.077 4.714 4.640 -0.005 0.000 0.256 890 D C -1.711 174.263 176.300 -0.543 0.000 1.193 890 D CA -1.731 52.128 54.000 -0.234 0.000 0.881 890 D CB 1.291 41.973 40.800 -0.196 0.000 1.143 890 D HN 0.055 nan 8.370 nan 0.000 0.473 891 P HA -0.173 nan 4.420 nan 0.000 0.217 891 P C 1.143 177.974 177.300 -0.781 0.000 1.148 891 P CA 1.767 64.233 63.100 -1.058 0.000 0.828 891 P CB -0.012 31.594 31.700 -0.156 0.000 0.783 892 A N 0.583 123.173 122.820 -0.384 0.000 1.915 892 A HA -0.301 4.016 4.320 -0.005 0.000 0.220 892 A C 2.182 179.636 177.584 -0.217 0.000 1.198 892 A CA 2.134 54.032 52.037 -0.231 0.000 0.647 892 A CB -1.441 17.433 19.000 -0.211 0.000 0.825 892 A HN 0.151 nan 8.150 nan 0.000 0.456 893 R N -1.271 119.050 120.500 -0.299 0.000 2.341 893 R HA -0.082 4.255 4.340 -0.005 0.000 0.213 893 R C 0.830 177.159 176.300 0.049 0.000 1.082 893 R CA 0.804 56.846 56.100 -0.097 0.000 1.017 893 R CB -0.410 29.886 30.300 -0.006 0.000 0.860 893 R HN 0.561 nan 8.270 nan 0.000 0.473 894 F N 0.647 120.642 119.950 0.075 0.000 2.722 894 F HA 0.023 4.547 4.527 -0.004 0.000 0.298 894 F C 0.644 176.477 175.800 0.054 0.000 1.175 894 F CA 0.489 58.526 58.000 0.063 0.000 1.462 894 F CB -0.376 38.655 39.000 0.052 0.000 1.111 894 F HN -0.175 nan 8.300 nan 0.000 0.592 895 R N 0.404 121.021 120.500 0.195 0.000 2.628 895 R HA 0.339 4.676 4.340 -0.005 0.000 0.288 895 R C -2.381 174.004 176.300 0.141 0.000 0.980 895 R CA -1.854 54.331 56.100 0.141 0.000 0.891 895 R CB 1.760 32.119 30.300 0.099 0.000 1.188 895 R HN -0.163 nan 8.270 nan 0.000 0.450 896 P HA -0.037 nan 4.420 nan 0.000 0.270 896 P C -0.980 176.408 177.300 0.145 0.000 1.227 896 P CA -0.072 63.113 63.100 0.142 0.000 0.788 896 P CB 0.559 32.310 31.700 0.086 0.000 0.926 897 D N -0.154 120.361 120.400 0.191 0.000 2.440 897 D HA 0.086 4.724 4.640 -0.005 0.000 0.258 897 D C 1.272 177.637 176.300 0.108 0.000 1.092 897 D CA -0.751 53.347 54.000 0.164 0.000 1.016 897 D CB 0.696 41.652 40.800 0.261 0.000 1.141 897 D HN 0.228 nan 8.370 nan 0.000 0.552 898 K N 0.676 121.124 120.400 0.080 0.000 2.160 898 K HA -0.224 4.093 4.320 -0.005 0.000 0.206 898 K C 0.641 177.275 176.600 0.056 0.000 1.047 898 K CA 1.175 57.494 56.287 0.054 0.000 0.930 898 K CB -0.662 31.861 32.500 0.039 0.000 0.720 898 K HN 0.327 nan 8.250 nan 0.000 0.450 899 N N 0.681 119.428 118.700 0.078 0.000 2.461 899 N HA 0.009 4.747 4.740 -0.005 0.000 0.188 899 N C 0.885 176.424 175.510 0.048 0.000 1.134 899 N CA 1.036 54.124 53.050 0.063 0.000 0.878 899 N CB 0.503 39.038 38.487 0.079 0.000 0.972 899 N HN 0.619 nan 8.380 nan 0.000 0.456 900 G N 0.050 108.884 108.800 0.057 0.000 2.195 900 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.246 900 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.246 900 G C -0.222 174.691 174.900 0.021 0.000 0.984 900 G CA -0.035 45.086 45.100 0.035 0.000 0.633 900 G HN 0.298 nan 8.290 nan 0.000 0.525 901 D N 0.534 120.952 120.400 0.031 0.000 2.304 901 D HA 0.376 5.013 4.640 -0.005 0.000 0.247 901 D C -0.098 176.171 176.300 -0.050 0.000 1.089 901 D CA -0.159 53.797 54.000 -0.072 0.000 0.910 901 D CB 0.834 41.535 40.800 -0.166 0.000 1.199 901 D HN 0.137 nan 8.370 nan 0.000 0.426 902 N N 1.628 120.233 118.700 -0.158 0.000 2.469 902 N HA 0.089 4.826 4.740 -0.005 0.000 0.253 902 N C -0.092 175.325 175.510 -0.154 0.000 0.970 902 N CA -0.493 52.528 53.050 -0.047 0.000 0.940 902 N CB 0.547 39.013 38.487 -0.036 0.000 1.128 902 N HN 0.377 nan 8.380 nan 0.000 0.503 903 W N 1.250 122.561 121.300 0.019 0.000 3.003 903 W HA 0.249 4.906 4.660 -0.005 0.000 0.257 903 W C 0.775 177.322 176.519 0.046 0.000 1.308 903 W CA -0.462 56.896 57.345 0.021 0.000 1.529 903 W CB -0.190 29.275 29.460 0.008 0.000 1.115 903 W HN 0.425 nan 8.180 nan 0.000 0.659 904 N N 1.214 120.065 118.700 0.252 0.000 2.492 904 N HA 0.034 4.771 4.740 -0.005 0.000 0.260 904 N C -0.089 175.507 175.510 0.144 0.000 1.215 904 N CA 0.243 53.437 53.050 0.240 0.000 0.923 904 N CB 0.681 39.343 38.487 0.292 0.000 1.092 904 N HN -0.085 nan 8.380 nan 0.000 0.448 905 S N 1.153 116.943 115.700 0.151 0.000 2.525 905 S HA 0.553 5.021 4.470 -0.005 0.000 0.278 905 S C 0.988 175.608 174.600 0.032 0.000 1.234 905 S CA -0.510 57.731 58.200 0.069 0.000 1.058 905 S CB 1.617 64.868 63.200 0.085 0.000 0.983 905 S HN 0.581 nan 8.310 nan 0.000 0.495 906 A N 3.061 125.879 122.820 -0.003 0.000 2.066 906 A HA 0.299 4.617 4.320 -0.005 0.000 0.218 906 A C 0.787 178.339 177.584 -0.052 0.000 1.157 906 A CA 0.454 52.474 52.037 -0.028 0.000 0.670 906 A CB -0.427 18.558 19.000 -0.026 0.000 0.804 906 A HN 0.858 nan 8.150 nan 0.000 0.453 907 I N 1.245 121.789 120.570 -0.043 0.000 2.382 907 I HA 0.222 4.390 4.170 -0.005 0.000 0.285 907 I C -0.667 175.407 176.117 -0.070 0.000 1.007 907 I CA -0.523 60.743 61.300 -0.058 0.000 1.142 907 I CB 1.502 39.485 38.000 -0.027 0.000 1.289 907 I HN 0.127 nan 8.210 nan 0.000 0.453 908 K N 6.014 126.322 120.400 -0.153 0.000 2.095 908 K HA 0.545 4.862 4.320 -0.005 0.000 0.252 908 K C -0.561 176.003 176.600 -0.059 0.000 0.977 908 K CA -0.868 55.307 56.287 -0.188 0.000 0.900 908 K CB 1.894 33.971 32.500 -0.706 0.000 1.060 908 K HN 0.514 nan 8.250 nan 0.000 0.449 909 Q N 0.673 120.538 119.800 0.109 0.000 2.248 909 Q HA 0.470 4.808 4.340 -0.005 0.000 0.263 909 Q C -0.894 175.213 176.000 0.178 0.000 1.007 909 Q CA -0.992 54.884 55.803 0.122 0.000 0.877 909 Q CB 2.280 31.098 28.738 0.133 0.000 1.315 909 Q HN 0.235 nan 8.270 nan 0.000 0.454 910 V N 0.955 120.945 119.914 0.126 0.000 2.483 910 V HA 0.781 4.898 4.120 -0.005 0.000 0.297 910 V C -0.757 175.441 176.094 0.174 0.000 1.027 910 V CA -0.431 61.950 62.300 0.136 0.000 0.855 910 V CB 1.360 33.255 31.823 0.120 0.000 0.995 910 V HN 0.876 nan 8.190 nan 0.000 0.424 911 A N 3.100 125.928 122.820 0.013 0.000 2.532 911 A HA 0.758 5.075 4.320 -0.005 0.000 0.290 911 A C 1.039 178.281 177.584 -0.571 0.000 1.143 911 A CA 0.148 52.062 52.037 -0.205 0.000 0.728 911 A CB 1.419 20.340 19.000 -0.133 0.000 1.317 911 A HN 0.939 nan 8.150 nan 0.000 0.414 912 S N 0.269 115.473 115.700 -0.827 0.000 2.426 912 S HA -0.181 4.286 4.470 -0.005 0.000 0.259 912 S C 1.188 175.530 174.600 -0.429 0.000 1.096 912 S CA 1.688 59.534 58.200 -0.591 0.000 1.219 912 S CB -1.154 61.819 63.200 -0.379 0.000 1.124 912 S HN 1.865 nan 8.310 nan 0.000 0.436 913 G N 1.103 109.529 108.800 -0.623 0.000 2.319 913 G HA2 0.505 4.462 3.960 -0.005 0.000 0.308 913 G HA3 0.505 4.462 3.960 -0.005 0.000 0.308 913 G C -0.142 174.095 174.900 -1.104 0.000 1.117 913 G CA -0.807 43.761 45.100 -0.887 0.000 0.903 913 G HN 0.178 nan 8.290 nan 0.000 0.436 914 R N 3.389 123.426 120.500 -0.772 0.000 4.496 914 R HA 0.104 4.441 4.340 -0.005 0.000 0.211 914 R C 0.511 176.584 176.300 -0.378 0.000 1.738 914 R CA -0.544 55.230 56.100 -0.542 0.000 1.528 914 R CB -0.294 29.703 30.300 -0.505 0.000 1.414 914 R HN 0.538 nan 8.270 nan 0.000 0.812 915 F N 0.345 120.184 119.950 -0.185 0.000 2.043 915 F HA -0.156 4.368 4.527 -0.005 0.000 0.297 915 F C 2.132 177.781 175.800 -0.251 0.000 1.118 915 F CA 1.739 59.630 58.000 -0.181 0.000 1.202 915 F CB -0.540 38.379 39.000 -0.134 0.000 0.965 915 F HN 0.312 nan 8.300 nan 0.000 0.482 916 G N -0.371 108.301 108.800 -0.214 0.000 4.547 916 G HA2 0.417 4.374 3.960 -0.005 0.000 0.301 916 G HA3 0.417 4.374 3.960 -0.005 0.000 0.301 916 G C -0.903 173.691 174.900 -0.510 0.000 1.240 916 G CA -0.176 44.743 45.100 -0.303 0.000 0.970 916 G HN 0.023 nan 8.290 nan 0.000 0.574 917 V N 1.303 121.005 119.914 -0.354 0.000 2.415 917 V HA 0.435 4.552 4.120 -0.005 0.000 0.267 917 V C 0.415 176.464 176.094 -0.076 0.000 1.042 917 V CA 0.425 62.609 62.300 -0.194 0.000 1.000 917 V CB 0.590 32.361 31.823 -0.086 0.000 1.015 917 V HN 0.260 nan 8.190 nan 0.000 0.478 918 T N 3.416 117.973 114.554 0.004 0.000 2.916 918 T HA 0.541 4.888 4.350 -0.005 0.000 0.305 918 T C 1.072 175.772 174.700 0.000 0.000 1.119 918 T CA 0.258 62.377 62.100 0.032 0.000 1.008 918 T CB 1.976 70.898 68.868 0.090 0.000 1.129 918 T HN 0.658 nan 8.240 nan 0.000 0.480 919 A N 1.435 124.250 122.820 -0.009 0.000 1.903 919 A HA -0.165 4.153 4.320 -0.005 0.000 0.219 919 A C 1.965 179.508 177.584 -0.067 0.000 1.191 919 A CA 2.494 54.495 52.037 -0.061 0.000 0.638 919 A CB -0.674 18.308 19.000 -0.029 0.000 0.823 919 A HN 0.928 nan 8.150 nan 0.000 0.451 920 E N -1.912 118.283 120.200 -0.008 0.000 2.150 920 E HA -0.228 4.119 4.350 -0.005 0.000 0.193 920 E C 1.813 178.380 176.600 -0.055 0.000 0.985 920 E CA 1.367 57.752 56.400 -0.024 0.000 0.814 920 E CB -0.291 29.454 29.700 0.074 0.000 0.752 920 E HN 0.769 nan 8.360 nan 0.000 0.466 921 Y N 1.259 121.517 120.300 -0.071 0.000 2.109 921 Y HA -0.146 4.402 4.550 -0.004 0.000 0.285 921 Y C 2.003 177.807 175.900 -0.161 0.000 1.131 921 Y CA 1.685 59.757 58.100 -0.048 0.000 1.121 921 Y CB -0.430 38.061 38.460 0.052 0.000 0.987 921 Y HN -0.022 nan 8.280 nan 0.000 0.495 922 L N 0.885 122.032 121.223 -0.126 0.000 2.263 922 L HA -0.265 4.072 4.340 -0.005 0.000 0.216 922 L C 1.722 178.410 176.870 -0.302 0.000 1.111 922 L CA 1.346 55.999 54.840 -0.310 0.000 0.773 922 L CB -0.543 41.292 42.059 -0.373 0.000 0.906 922 L HN 0.407 nan 8.230 nan 0.000 0.439 923 N N -0.829 117.711 118.700 -0.266 0.000 2.280 923 N HA -0.013 4.724 4.740 -0.005 0.000 0.192 923 N C 0.438 175.762 175.510 -0.310 0.000 1.109 923 N CA 0.220 53.118 53.050 -0.254 0.000 0.855 923 N CB 0.441 38.809 38.487 -0.199 0.000 0.974 923 N HN 0.317 nan 8.380 nan 0.000 0.482 924 Q N 1.066 120.612 119.800 -0.423 0.000 2.936 924 Q HA 0.195 4.532 4.340 -0.005 0.000 0.383 924 Q C -0.212 175.605 176.000 -0.305 0.000 1.167 924 Q CA -0.131 55.383 55.803 -0.483 0.000 1.038 924 Q CB -0.185 27.946 28.738 -1.012 0.000 1.409 924 Q HN 0.376 nan 8.270 nan 0.000 0.448 925 C N -3.282 115.876 119.300 -0.237 0.000 3.211 925 C HA 0.498 4.956 4.460 -0.005 0.000 0.350 925 C C 0.846 175.752 174.990 -0.140 0.000 1.413 925 C CA -0.894 58.020 59.018 -0.172 0.000 1.203 925 C CB 1.626 29.249 27.740 -0.196 0.000 1.506 925 C HN 0.506 nan 8.230 nan 0.000 0.448 926 R N 0.578 121.013 120.500 -0.109 0.000 2.365 926 R HA 0.369 4.706 4.340 -0.005 0.000 0.223 926 R C 0.009 176.256 176.300 -0.088 0.000 0.899 926 R CA 0.483 56.530 56.100 -0.089 0.000 1.059 926 R CB 0.517 30.777 30.300 -0.067 0.000 1.086 926 R HN 0.838 nan 8.270 nan 0.000 0.522 927 E N 0.559 120.699 120.200 -0.100 0.000 2.354 927 E HA 0.246 4.594 4.350 -0.005 0.000 0.283 927 E C -1.660 174.878 176.600 -0.104 0.000 0.938 927 E CA -0.499 55.848 56.400 -0.087 0.000 0.777 927 E CB 1.436 31.098 29.700 -0.064 0.000 1.222 927 E HN -0.056 nan 8.360 nan 0.000 0.423 928 L N 3.359 124.525 121.223 -0.095 0.000 2.333 928 L HA 0.497 4.834 4.340 -0.005 0.000 0.280 928 L C -0.358 176.480 176.870 -0.054 0.000 1.004 928 L CA -0.738 54.044 54.840 -0.096 0.000 0.820 928 L CB 1.901 43.896 42.059 -0.106 0.000 1.247 928 L HN 0.642 nan 8.230 nan 0.000 0.416 929 E N 3.636 123.818 120.200 -0.030 0.000 2.133 929 E HA 0.411 4.758 4.350 -0.005 0.000 0.274 929 E C -0.856 175.753 176.600 0.015 0.000 0.930 929 E CA -0.627 55.769 56.400 -0.008 0.000 0.770 929 E CB 1.577 31.282 29.700 0.008 0.000 1.104 929 E HN 0.463 nan 8.360 nan 0.000 0.403 930 I N 4.856 125.425 120.570 -0.002 0.000 2.322 930 I HA 0.081 4.248 4.170 -0.005 0.000 0.292 930 I C 0.498 176.637 176.117 0.038 0.000 1.060 930 I CA -0.087 61.211 61.300 -0.004 0.000 1.309 930 I CB 0.563 38.508 38.000 -0.092 0.000 1.415 930 I HN 0.245 nan 8.210 nan 0.000 0.492 931 K N 6.698 127.181 120.400 0.139 0.000 2.183 931 K HA 0.207 4.524 4.320 -0.005 0.000 0.272 931 K C 0.398 177.141 176.600 0.239 0.000 1.113 931 K CA -0.211 56.165 56.287 0.149 0.000 0.949 931 K CB 0.823 33.394 32.500 0.118 0.000 1.365 931 K HN 0.531 nan 8.250 nan 0.000 0.420 932 V N 2.601 122.591 119.914 0.128 0.000 2.951 932 V HA 0.098 4.215 4.120 -0.005 0.000 0.255 932 V C 0.555 176.725 176.094 0.126 0.000 1.088 932 V CA 1.139 63.524 62.300 0.143 0.000 1.109 932 V CB -0.183 31.681 31.823 0.067 0.000 0.724 932 V HN 0.860 nan 8.190 nan 0.000 0.471 933 A N -0.065 122.804 122.820 0.081 0.000 2.569 933 A HA 0.671 4.989 4.320 -0.005 0.000 0.292 933 A C -1.513 176.068 177.584 -0.005 0.000 1.032 933 A CA -0.796 51.258 52.037 0.029 0.000 0.669 933 A CB 1.078 20.098 19.000 0.032 0.000 1.290 933 A HN 0.282 nan 8.150 nan 0.000 0.422 934 Q N 0.420 120.189 119.800 -0.051 0.000 2.377 934 Q HA 0.622 4.959 4.340 -0.005 0.000 0.271 934 Q C 0.867 176.819 176.000 -0.080 0.000 1.077 934 Q CA -0.583 55.194 55.803 -0.042 0.000 0.820 934 Q CB 1.792 30.518 28.738 -0.019 0.000 1.347 934 Q HN 1.270 nan 8.270 nan 0.000 0.444 935 G N 1.360 110.137 108.800 -0.039 0.000 2.485 935 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.221 935 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.221 935 G C 1.086 175.948 174.900 -0.062 0.000 1.115 935 G CA 0.994 46.070 45.100 -0.039 0.000 0.751 935 G HN 0.764 nan 8.290 nan 0.000 0.567 936 A N 0.105 122.893 122.820 -0.054 0.000 2.021 936 A HA 0.302 4.620 4.320 -0.005 0.000 0.216 936 A C 1.303 178.838 177.584 -0.083 0.000 1.163 936 A CA 1.426 53.431 52.037 -0.054 0.000 0.676 936 A CB 0.043 19.023 19.000 -0.033 0.000 0.818 936 A HN 0.518 nan 8.150 nan 0.000 0.453 937 K N -2.495 117.838 120.400 -0.111 0.000 3.204 937 K HA 0.319 4.637 4.320 -0.005 0.000 0.196 937 K C -2.893 173.591 176.600 -0.193 0.000 1.229 937 K CA -1.131 55.080 56.287 -0.126 0.000 0.820 937 K CB 0.692 33.147 32.500 -0.074 0.000 1.130 937 K HN -0.122 nan 8.250 nan 0.000 0.569 938 P HA -0.194 nan 4.420 nan 0.000 0.214 938 P C 1.426 178.504 177.300 -0.369 0.000 1.163 938 P CA 1.889 64.569 63.100 -0.699 0.000 0.889 938 P CB 0.092 30.751 31.700 -1.735 0.000 0.790 939 G N -0.641 108.019 108.800 -0.232 0.000 2.653 939 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.212 939 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.212 939 G C 0.778 175.682 174.900 0.007 0.000 1.138 939 G CA 0.728 45.827 45.100 -0.002 0.000 0.782 939 G HN 0.509 nan 8.290 nan 0.000 0.535 940 E N -2.604 117.576 120.200 -0.034 0.000 2.614 940 E HA 0.332 4.679 4.350 -0.005 0.000 0.192 940 E C 0.609 177.197 176.600 -0.021 0.000 0.930 940 E CA -0.140 56.252 56.400 -0.014 0.000 1.346 940 E CB -0.095 29.601 29.700 -0.006 0.000 1.252 940 E HN 0.750 nan 8.360 nan 0.000 0.647 941 G N 0.776 109.556 108.800 -0.034 0.000 2.895 941 G HA2 0.115 4.072 3.960 -0.005 0.000 0.686 941 G HA3 0.115 4.072 3.960 -0.005 0.000 0.686 941 G C 0.314 175.201 174.900 -0.022 0.000 1.108 941 G CA -0.501 44.575 45.100 -0.039 0.000 0.761 941 G HN 0.600 nan 8.290 nan 0.000 0.611 942 G N 0.570 109.360 108.800 -0.017 0.000 2.562 942 G HA2 0.484 4.442 3.960 -0.005 0.000 0.233 942 G HA3 0.484 4.442 3.960 -0.005 0.000 0.233 942 G C 0.153 175.069 174.900 0.026 0.000 1.266 942 G CA 0.372 45.480 45.100 0.014 0.000 0.852 942 G HN 0.898 nan 8.290 nan 0.000 0.581 943 Q N -0.401 119.408 119.800 0.016 0.000 2.347 943 Q HA 0.586 4.923 4.340 -0.005 0.000 0.271 943 Q C -1.497 174.490 176.000 -0.021 0.000 1.064 943 Q CA -0.888 54.916 55.803 0.001 0.000 0.800 943 Q CB 2.875 31.605 28.738 -0.013 0.000 1.304 943 Q HN 0.355 nan 8.270 nan 0.000 0.438 944 L N 2.875 124.063 121.223 -0.058 0.000 2.482 944 L HA 0.503 4.840 4.340 -0.005 0.000 0.269 944 L C -2.824 173.921 176.870 -0.208 0.000 0.967 944 L CA -1.543 53.225 54.840 -0.119 0.000 0.851 944 L CB 2.140 44.127 42.059 -0.120 0.000 1.242 944 L HN 0.360 nan 8.230 nan 0.000 0.404 945 P HA 0.208 nan 4.420 nan 0.000 0.269 945 P C 0.660 177.550 177.300 -0.683 0.000 1.209 945 P CA -0.018 62.708 63.100 -0.623 0.000 0.776 945 P CB 0.883 31.926 31.700 -1.096 0.000 0.876 946 G N 2.308 110.804 108.800 -0.507 0.000 2.475 946 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.220 946 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.220 946 G C 0.578 175.358 174.900 -0.201 0.000 1.125 946 G CA 0.447 45.396 45.100 -0.250 0.000 0.755 946 G HN 0.630 nan 8.290 nan 0.000 0.565 947 F N -0.544 119.395 119.950 -0.018 0.000 2.913 947 F HA 0.586 5.110 4.527 -0.004 0.000 0.293 947 F C 1.010 176.792 175.800 -0.029 0.000 1.223 947 F CA -1.207 56.779 58.000 -0.023 0.000 1.393 947 F CB 0.163 39.152 39.000 -0.018 0.000 1.102 947 F HN -0.046 nan 8.300 nan 0.000 0.524 948 K N -0.620 119.720 120.400 -0.100 0.000 2.585 948 K HA 0.208 4.525 4.320 -0.005 0.000 0.210 948 K C -0.063 176.490 176.600 -0.078 0.000 1.294 948 K CA 0.083 56.350 56.287 -0.034 0.000 1.025 948 K CB 1.421 33.875 32.500 -0.076 0.000 1.076 948 K HN 0.157 nan 8.250 nan 0.000 0.613 949 V N 3.192 123.043 119.914 -0.106 0.000 2.008 949 V HA 0.034 4.151 4.120 -0.005 0.000 0.262 949 V C 0.660 176.709 176.094 -0.076 0.000 1.580 949 V CA 0.443 62.672 62.300 -0.118 0.000 1.515 949 V CB -0.409 31.331 31.823 -0.139 0.000 1.474 949 V HN 0.205 nan 8.190 nan 0.000 0.504 950 T N 1.515 116.032 114.554 -0.062 0.000 2.560 950 T HA -0.046 4.302 4.350 -0.005 0.000 0.354 950 T C 1.482 176.143 174.700 -0.066 0.000 1.051 950 T CA 0.330 62.401 62.100 -0.048 0.000 1.032 950 T CB 0.534 69.367 68.868 -0.058 0.000 1.057 950 T HN 0.665 nan 8.240 nan 0.000 0.529 951 E N -0.100 120.063 120.200 -0.061 0.000 2.190 951 E HA -0.029 4.318 4.350 -0.005 0.000 0.191 951 E C 2.125 178.673 176.600 -0.087 0.000 0.978 951 E CA 0.266 56.624 56.400 -0.070 0.000 0.839 951 E CB -0.080 29.585 29.700 -0.059 0.000 0.787 951 E HN 0.552 nan 8.360 nan 0.000 0.473 952 M N 1.129 120.677 119.600 -0.088 0.000 2.067 952 M HA -0.181 4.296 4.480 -0.005 0.000 0.260 952 M C 2.179 178.410 176.300 -0.114 0.000 1.069 952 M CA 1.500 56.739 55.300 -0.101 0.000 1.117 952 M CB -0.199 32.340 32.600 -0.102 0.000 1.334 952 M HN 0.052 nan 8.290 nan 0.000 0.407 953 I N 1.106 121.606 120.570 -0.116 0.000 2.044 953 I HA -0.346 3.822 4.170 -0.005 0.000 0.234 953 I C 2.685 178.714 176.117 -0.145 0.000 1.031 953 I CA 1.858 63.076 61.300 -0.137 0.000 1.305 953 I CB -0.716 37.201 38.000 -0.139 0.000 1.026 953 I HN 0.472 nan 8.210 nan 0.000 0.392 954 A N 0.219 122.957 122.820 -0.137 0.000 2.054 954 A HA -0.324 3.993 4.320 -0.005 0.000 0.223 954 A C 2.396 179.906 177.584 -0.124 0.000 1.169 954 A CA 2.258 54.216 52.037 -0.132 0.000 0.655 954 A CB -0.875 18.063 19.000 -0.102 0.000 0.812 954 A HN 0.481 nan 8.150 nan 0.000 0.462 955 R N -0.609 119.812 120.500 -0.131 0.000 2.062 955 R HA 0.010 4.347 4.340 -0.005 0.000 0.229 955 R C 2.091 178.275 176.300 -0.194 0.000 1.128 955 R CA 1.326 57.325 56.100 -0.168 0.000 0.960 955 R CB -0.395 29.816 30.300 -0.149 0.000 0.855 955 R HN 0.536 nan 8.270 nan 0.000 0.432 956 L N 0.677 121.827 121.223 -0.122 0.000 2.012 956 L HA -0.167 4.170 4.340 -0.005 0.000 0.210 956 L C 2.364 179.275 176.870 0.068 0.000 1.073 956 L CA 1.583 56.389 54.840 -0.056 0.000 0.748 956 L CB -0.217 41.790 42.059 -0.087 0.000 0.891 956 L HN 0.219 nan 8.230 nan 0.000 0.431 957 R N -1.177 119.316 120.500 -0.012 0.000 2.313 957 R HA -0.010 4.327 4.340 -0.005 0.000 0.199 957 R C -0.137 176.288 176.300 0.209 0.000 0.958 957 R CA 0.002 56.105 56.100 0.006 0.000 1.047 957 R CB -0.250 29.831 30.300 -0.365 0.000 0.955 957 R HN 0.395 nan 8.270 nan 0.000 0.481 958 H N -0.415 118.615 119.070 -0.066 0.000 2.594 958 H HA -0.182 4.371 4.556 -0.005 0.000 0.316 958 H C 0.195 175.499 175.328 -0.041 0.000 1.107 958 H CA 0.748 56.775 56.048 -0.034 0.000 1.133 958 H CB -1.853 27.911 29.762 0.004 0.000 1.459 958 H HN 0.145 nan 8.280 nan 0.000 0.411 959 S N -1.359 114.342 115.700 0.002 0.000 2.745 959 S HA 0.625 5.093 4.470 -0.005 0.000 0.292 959 S C 0.547 175.121 174.600 -0.043 0.000 1.127 959 S CA -0.311 57.856 58.200 -0.054 0.000 1.007 959 S CB 1.622 64.701 63.200 -0.201 0.000 1.165 959 S HN 0.323 nan 8.310 nan 0.000 0.544 960 T N 3.440 117.968 114.554 -0.043 0.000 2.799 960 T HA 0.495 4.843 4.350 -0.005 0.000 0.286 960 T C -2.651 172.019 174.700 -0.049 0.000 0.973 960 T CA -1.048 61.031 62.100 -0.035 0.000 1.035 960 T CB 1.123 69.981 68.868 -0.017 0.000 0.932 960 T HN 0.410 nan 8.240 nan 0.000 0.469 961 P HA 0.146 nan 4.420 nan 0.000 0.262 961 P C 1.068 178.348 177.300 -0.033 0.000 1.182 961 P CA 0.705 63.778 63.100 -0.045 0.000 0.761 961 P CB 0.282 31.960 31.700 -0.037 0.000 0.795 962 G N 1.487 110.264 108.800 -0.038 0.000 2.270 962 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.268 962 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.268 962 G C 0.323 175.208 174.900 -0.025 0.000 0.982 962 G CA 0.336 45.426 45.100 -0.017 0.000 0.628 962 G HN 0.539 nan 8.290 nan 0.000 0.544 963 V N 1.933 121.825 119.914 -0.036 0.000 2.775 963 V HA 0.469 4.586 4.120 -0.005 0.000 0.299 963 V C 1.166 177.218 176.094 -0.069 0.000 1.062 963 V CA 0.002 62.280 62.300 -0.037 0.000 1.063 963 V CB 1.679 33.485 31.823 -0.027 0.000 0.994 963 V HN 0.483 nan 8.190 nan 0.000 0.483 964 M N 4.255 123.818 119.600 -0.061 0.000 2.245 964 M HA 0.306 4.783 4.480 -0.005 0.000 0.344 964 M C -0.815 175.453 176.300 -0.053 0.000 1.170 964 M CA 0.111 55.362 55.300 -0.083 0.000 1.135 964 M CB 0.307 32.872 32.600 -0.058 0.000 1.574 964 M HN 0.484 nan 8.290 nan 0.000 0.452 965 L N 7.016 128.196 121.223 -0.071 0.000 2.387 965 L HA 0.416 4.753 4.340 -0.005 0.000 0.259 965 L C -0.698 176.205 176.870 0.055 0.000 1.050 965 L CA -0.528 54.306 54.840 -0.009 0.000 0.922 965 L CB 0.334 42.313 42.059 -0.133 0.000 1.280 965 L HN 0.609 nan 8.230 nan 0.000 0.449 966 I N 1.060 121.679 120.570 0.081 0.000 2.365 966 I HA 0.268 4.435 4.170 -0.005 0.000 0.291 966 I C 0.761 176.938 176.117 0.100 0.000 1.004 966 I CA 0.104 61.454 61.300 0.082 0.000 1.311 966 I CB 1.673 39.723 38.000 0.084 0.000 1.401 966 I HN 0.450 nan 8.210 nan 0.000 0.491 967 S N 7.094 122.820 115.700 0.045 0.000 2.669 967 S HA 0.451 4.918 4.470 -0.005 0.000 0.270 967 S C -2.329 172.190 174.600 -0.135 0.000 1.225 967 S CA -0.932 57.226 58.200 -0.071 0.000 0.991 967 S CB 1.099 64.233 63.200 -0.109 0.000 0.987 967 S HN 0.452 nan 8.310 nan 0.000 0.552 968 P HA 0.323 nan 4.420 nan 0.000 0.290 968 P C -2.104 175.136 177.300 -0.101 0.000 1.276 968 P CA -1.655 61.321 63.100 -0.207 0.000 0.808 968 P CB 0.563 32.029 31.700 -0.390 0.000 0.966 969 P HA -0.036 nan 4.420 nan 0.000 0.216 969 P C -1.872 175.408 177.300 -0.033 0.000 1.150 969 P CA 1.907 64.995 63.100 -0.020 0.000 0.837 969 P CB -1.640 30.071 31.700 0.019 0.000 0.786 970 P HA 0.136 nan 4.420 nan 0.000 0.296 970 P C -0.498 176.740 177.300 -0.102 0.000 1.310 970 P CA -0.475 62.604 63.100 -0.035 0.000 0.900 970 P CB 0.947 32.620 31.700 -0.045 0.000 1.111 971 H N 1.885 120.911 119.070 -0.073 0.000 2.964 971 H HA 0.008 4.561 4.556 -0.004 0.000 0.328 971 H C 1.265 176.446 175.328 -0.245 0.000 1.030 971 H CA 0.640 56.665 56.048 -0.039 0.000 1.445 971 H CB 0.535 30.289 29.762 -0.013 0.000 1.449 971 H HN 0.543 nan 8.280 nan 0.000 0.581 972 H N 2.334 121.208 119.070 -0.326 0.000 2.553 972 H HA -0.061 4.492 4.556 -0.005 0.000 0.269 972 H C 0.163 174.938 175.328 -0.920 0.000 1.011 972 H CA 0.478 56.113 56.048 -0.688 0.000 1.150 972 H CB 0.348 29.605 29.762 -0.842 0.000 1.339 972 H HN 0.626 nan 8.280 nan 0.000 0.604 973 D N -0.092 119.972 120.400 -0.559 0.000 2.891 973 D HA 0.140 4.778 4.640 -0.005 0.000 0.332 973 D C 0.123 176.197 176.300 -0.376 0.000 1.369 973 D CA -0.237 53.410 54.000 -0.588 0.000 0.827 973 D CB -0.580 39.805 40.800 -0.692 0.000 1.141 973 D HN 0.191 nan 8.370 nan 0.000 0.464 974 I N 1.220 121.594 120.570 -0.326 0.000 2.743 974 I HA 0.063 4.230 4.170 -0.005 0.000 0.268 974 I C -0.784 175.380 176.117 0.080 0.000 1.441 974 I CA -0.493 60.733 61.300 -0.123 0.000 0.912 974 I CB 0.795 38.724 38.000 -0.119 0.000 1.410 974 I HN -0.089 nan 8.210 nan 0.000 0.540 975 Y N 1.932 122.215 120.300 -0.027 0.000 2.485 975 Y HA 0.318 4.865 4.550 -0.005 0.000 0.260 975 Y C 1.113 176.996 175.900 -0.028 0.000 1.173 975 Y CA -0.771 57.317 58.100 -0.021 0.000 1.252 975 Y CB 0.389 38.854 38.460 0.008 0.000 1.123 975 Y HN 0.548 nan 8.280 nan 0.000 0.524 976 S N -2.000 113.756 115.700 0.093 0.000 2.633 976 S HA 0.171 4.638 4.470 -0.005 0.000 0.271 976 S C 0.318 174.862 174.600 -0.094 0.000 1.112 976 S CA -0.697 57.500 58.200 -0.004 0.000 0.828 976 S CB -0.050 63.150 63.200 -0.001 0.000 1.086 976 S HN 0.068 nan 8.310 nan 0.000 0.461 977 I N 1.664 122.122 120.570 -0.188 0.000 2.361 977 I HA -0.184 3.984 4.170 -0.005 0.000 0.251 977 I C 2.283 178.158 176.117 -0.403 0.000 1.133 977 I CA 2.184 63.289 61.300 -0.324 0.000 1.413 977 I CB -0.313 37.415 38.000 -0.454 0.000 1.073 977 I HN 0.891 nan 8.210 nan 0.000 0.424 978 E N 0.360 120.350 120.200 -0.350 0.000 2.051 978 E HA -0.263 4.084 4.350 -0.005 0.000 0.192 978 E C 1.559 178.099 176.600 -0.101 0.000 0.991 978 E CA 1.514 57.801 56.400 -0.188 0.000 0.799 978 E CB -0.548 29.125 29.700 -0.045 0.000 0.748 978 E HN 0.506 nan 8.360 nan 0.000 0.449 979 D N 1.357 121.714 120.400 -0.072 0.000 2.106 979 D HA -0.182 4.455 4.640 -0.005 0.000 0.191 979 D C 2.065 178.317 176.300 -0.079 0.000 0.997 979 D CA 0.837 54.814 54.000 -0.039 0.000 0.834 979 D CB -0.514 40.281 40.800 -0.007 0.000 0.956 979 D HN 0.092 nan 8.370 nan 0.000 0.448 980 L N 1.177 122.336 121.223 -0.107 0.000 2.021 980 L HA -0.227 4.111 4.340 -0.005 0.000 0.215 980 L C 2.198 179.024 176.870 -0.074 0.000 1.074 980 L CA 2.157 56.930 54.840 -0.112 0.000 0.760 980 L CB -0.922 41.065 42.059 -0.120 0.000 0.889 980 L HN 0.026 nan 8.230 nan 0.000 0.433 981 A N -1.225 121.555 122.820 -0.067 0.000 1.940 981 A HA -0.300 4.017 4.320 -0.005 0.000 0.219 981 A C 2.259 179.862 177.584 0.031 0.000 1.176 981 A CA 1.850 53.885 52.037 -0.003 0.000 0.631 981 A CB -0.710 18.307 19.000 0.029 0.000 0.814 981 A HN 0.637 nan 8.150 nan 0.000 0.446 982 Q N -0.312 119.493 119.800 0.009 0.000 2.167 982 Q HA -0.028 4.309 4.340 -0.005 0.000 0.202 982 Q C 1.847 177.893 176.000 0.075 0.000 0.970 982 Q CA 1.427 57.255 55.803 0.042 0.000 0.855 982 Q CB -0.395 28.362 28.738 0.032 0.000 0.911 982 Q HN 0.637 nan 8.270 nan 0.000 0.438 983 L N -0.240 120.986 121.223 0.005 0.000 2.005 983 L HA -0.131 4.207 4.340 -0.005 0.000 0.207 983 L C 2.138 179.036 176.870 0.046 0.000 1.072 983 L CA 1.458 56.297 54.840 -0.001 0.000 0.744 983 L CB -0.324 41.694 42.059 -0.067 0.000 0.895 983 L HN 0.368 nan 8.230 nan 0.000 0.433 984 I N -1.118 119.473 120.570 0.034 0.000 2.315 984 I HA -0.380 3.787 4.170 -0.005 0.000 0.251 984 I C 2.435 178.604 176.117 0.088 0.000 1.125 984 I CA 1.384 62.710 61.300 0.043 0.000 1.392 984 I CB -0.517 37.504 38.000 0.036 0.000 1.065 984 I HN 0.342 nan 8.210 nan 0.000 0.424 985 Y N 2.329 122.631 120.300 0.003 0.000 2.070 985 Y HA -0.315 4.232 4.550 -0.005 0.000 0.279 985 Y C 2.271 178.189 175.900 0.030 0.000 1.134 985 Y CA 1.937 60.044 58.100 0.012 0.000 1.113 985 Y CB -0.502 37.962 38.460 0.006 0.000 0.981 985 Y HN 0.178 nan 8.280 nan 0.000 0.487 986 D N 0.358 120.813 120.400 0.092 0.000 2.154 986 D HA -0.276 4.361 4.640 -0.005 0.000 0.190 986 D C 2.387 178.729 176.300 0.070 0.000 1.003 986 D CA 2.154 56.202 54.000 0.081 0.000 0.849 986 D CB -0.798 40.096 40.800 0.157 0.000 0.942 986 D HN 0.411 nan 8.370 nan 0.000 0.446 987 L N 0.362 121.624 121.223 0.065 0.000 2.042 987 L HA -0.172 4.166 4.340 -0.005 0.000 0.210 987 L C 2.196 179.022 176.870 -0.074 0.000 1.076 987 L CA 1.260 56.097 54.840 -0.005 0.000 0.749 987 L CB -0.453 41.593 42.059 -0.022 0.000 0.893 987 L HN 0.060 nan 8.230 nan 0.000 0.432 988 K N -0.479 119.861 120.400 -0.099 0.000 2.504 988 K HA -0.094 4.223 4.320 -0.005 0.000 0.195 988 K C 1.929 178.419 176.600 -0.183 0.000 1.036 988 K CA 0.476 56.684 56.287 -0.132 0.000 0.984 988 K CB 0.098 32.530 32.500 -0.114 0.000 0.788 988 K HN 0.362 nan 8.250 nan 0.000 0.488 989 Q N 0.457 120.126 119.800 -0.219 0.000 2.226 989 Q HA 0.023 4.360 4.340 -0.005 0.000 0.199 989 Q C 2.062 177.999 176.000 -0.105 0.000 0.945 989 Q CA 0.658 56.331 55.803 -0.217 0.000 0.861 989 Q CB -0.026 28.546 28.738 -0.277 0.000 0.953 989 Q HN 0.238 nan 8.270 nan 0.000 0.490 990 I N 0.922 121.457 120.570 -0.058 0.000 2.761 990 I HA -0.064 4.103 4.170 -0.005 0.000 0.261 990 I C 0.052 176.104 176.117 -0.108 0.000 1.198 990 I CA 0.767 62.036 61.300 -0.052 0.000 1.482 990 I CB 0.317 38.273 38.000 -0.073 0.000 1.100 990 I HN -0.034 nan 8.210 nan 0.000 0.445 991 N N 0.671 119.297 118.700 -0.124 0.000 2.664 991 N HA 0.283 5.020 4.740 -0.005 0.000 0.257 991 N C -2.148 173.293 175.510 -0.115 0.000 1.108 991 N CA -2.086 50.886 53.050 -0.130 0.000 0.822 991 N CB 1.276 39.670 38.487 -0.154 0.000 1.199 991 N HN -0.016 nan 8.380 nan 0.000 0.529 992 P HA -0.032 nan 4.420 nan 0.000 0.228 992 P C -0.111 177.139 177.300 -0.085 0.000 1.151 992 P CA 0.909 63.953 63.100 -0.094 0.000 0.770 992 P CB 0.689 32.335 31.700 -0.090 0.000 0.786 993 D N -0.516 119.829 120.400 -0.092 0.000 2.366 993 D HA 0.138 4.775 4.640 -0.005 0.000 0.205 993 D C 1.079 177.331 176.300 -0.080 0.000 1.022 993 D CA 0.181 54.132 54.000 -0.082 0.000 0.868 993 D CB 0.104 40.853 40.800 -0.086 0.000 0.953 993 D HN 0.107 nan 8.370 nan 0.000 0.514 994 A N 0.872 123.637 122.820 -0.091 0.000 2.322 994 A HA 0.325 4.642 4.320 -0.005 0.000 0.269 994 A C 0.475 178.017 177.584 -0.071 0.000 1.094 994 A CA -0.304 51.680 52.037 -0.088 0.000 0.807 994 A CB 0.844 19.778 19.000 -0.110 0.000 1.047 994 A HN -0.145 nan 8.150 nan 0.000 0.487 995 K N 0.445 120.807 120.400 -0.063 0.000 2.154 995 K HA 0.508 4.825 4.320 -0.005 0.000 0.264 995 K C -0.896 175.673 176.600 -0.053 0.000 1.008 995 K CA -0.381 55.875 56.287 -0.051 0.000 0.937 995 K CB 1.417 33.890 32.500 -0.046 0.000 1.002 995 K HN 0.402 nan 8.250 nan 0.000 0.469 996 V N 1.613 121.502 119.914 -0.042 0.000 2.581 996 V HA 0.340 4.457 4.120 -0.005 0.000 0.303 996 V C -0.210 175.863 176.094 -0.036 0.000 1.041 996 V CA -0.540 61.735 62.300 -0.041 0.000 0.907 996 V CB 2.082 33.885 31.823 -0.033 0.000 0.994 996 V HN 0.801 nan 8.190 nan 0.000 0.442 997 T N 2.936 117.468 114.554 -0.036 0.000 2.900 997 T HA 0.624 4.971 4.350 -0.005 0.000 0.295 997 T C -0.977 173.705 174.700 -0.029 0.000 1.044 997 T CA -0.399 61.681 62.100 -0.033 0.000 0.995 997 T CB 1.943 70.790 68.868 -0.034 0.000 1.072 997 T HN 0.339 nan 8.240 nan 0.000 0.473 998 V N 3.106 123.004 119.914 -0.026 0.000 2.407 998 V HA 0.446 4.563 4.120 -0.005 0.000 0.291 998 V C 0.075 176.164 176.094 -0.007 0.000 1.018 998 V CA -0.888 61.399 62.300 -0.021 0.000 0.842 998 V CB 1.592 33.399 31.823 -0.027 0.000 0.996 998 V HN 0.683 nan 8.190 nan 0.000 0.426 999 K N 5.557 125.961 120.400 0.007 0.000 2.276 999 K HA 0.659 4.976 4.320 -0.005 0.000 0.285 999 K C -1.252 175.371 176.600 0.038 0.000 1.062 999 K CA -0.286 56.012 56.287 0.018 0.000 0.918 999 K CB 0.597 33.112 32.500 0.026 0.000 1.055 999 K HN 0.576 nan 8.250 nan 0.000 0.477 1000 L N 2.896 124.146 121.223 0.046 0.000 2.333 1000 L HA 0.533 4.871 4.340 -0.005 0.000 0.263 1000 L C -0.726 176.209 176.870 0.108 0.000 1.014 1000 L CA -1.352 53.539 54.840 0.086 0.000 0.820 1000 L CB 2.036 44.146 42.059 0.085 0.000 1.352 1000 L HN 0.186 nan 8.230 nan 0.000 0.421 1001 V N 0.757 120.781 119.914 0.183 0.000 2.417 1001 V HA 0.275 4.393 4.120 -0.005 0.000 0.291 1001 V C 0.311 176.584 176.094 0.299 0.000 1.024 1001 V CA -0.447 61.969 62.300 0.192 0.000 0.861 1001 V CB 1.828 33.706 31.823 0.091 0.000 0.985 1001 V HN 0.872 nan 8.190 nan 0.000 0.436 1002 S N 6.713 122.545 115.700 0.221 0.000 2.558 1002 S HA 0.456 4.923 4.470 -0.005 0.000 0.287 1002 S C -0.203 174.546 174.600 0.248 0.000 1.321 1002 S CA 0.177 58.498 58.200 0.202 0.000 1.048 1002 S CB 0.241 63.552 63.200 0.185 0.000 0.844 1002 S HN 1.053 nan 8.310 nan 0.000 0.512 1003 R N 1.358 121.948 120.500 0.150 0.000 3.231 1003 R HA 0.323 4.661 4.340 -0.005 0.000 0.279 1003 R C -1.303 175.000 176.300 0.005 0.000 0.990 1003 R CA -0.139 56.009 56.100 0.081 0.000 0.879 1003 R CB -0.102 30.184 30.300 -0.022 0.000 1.289 1003 R HN 0.865 nan 8.270 nan 0.000 0.529 1004 S N 0.760 116.452 115.700 -0.014 0.000 2.548 1004 S HA 0.543 5.010 4.470 -0.005 0.000 0.277 1004 S C 1.052 175.627 174.600 -0.042 0.000 1.315 1004 S CA 0.682 58.875 58.200 -0.012 0.000 1.050 1004 S CB 1.149 64.348 63.200 -0.001 0.000 0.918 1004 S HN 1.796 nan 8.310 nan 0.000 0.497 1005 G N 2.771 111.558 108.800 -0.022 0.000 2.231 1005 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.206 1005 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.206 1005 G C 0.553 175.441 174.900 -0.020 0.000 0.996 1005 G CA 0.032 45.115 45.100 -0.029 0.000 0.645 1005 G HN 0.835 nan 8.290 nan 0.000 0.498 1006 I N 1.550 122.115 120.570 -0.010 0.000 2.286 1006 I HA 0.021 4.189 4.170 -0.005 0.000 0.248 1006 I C 2.668 178.797 176.117 0.020 0.000 1.115 1006 I CA 2.372 63.677 61.300 0.009 0.000 1.392 1006 I CB -0.462 37.561 38.000 0.038 0.000 1.065 1006 I HN 0.260 nan 8.210 nan 0.000 0.418 1007 G N -0.129 108.687 108.800 0.027 0.000 2.529 1007 G HA2 -0.344 3.613 3.960 -0.005 0.000 0.219 1007 G HA3 -0.344 3.613 3.960 -0.005 0.000 0.219 1007 G C 1.502 176.421 174.900 0.033 0.000 1.177 1007 G CA 1.513 46.633 45.100 0.033 0.000 0.773 1007 G HN 0.358 nan 8.290 nan 0.000 0.573 1008 T N 1.180 115.753 114.554 0.031 0.000 2.516 1008 T HA -0.184 4.163 4.350 -0.005 0.000 0.261 1008 T C 2.403 177.121 174.700 0.029 0.000 1.130 1008 T CA 1.606 63.729 62.100 0.038 0.000 1.193 1008 T CB -0.347 68.538 68.868 0.028 0.000 0.864 1008 T HN 0.248 nan 8.240 nan 0.000 0.410 1009 I N 1.275 121.853 120.570 0.013 0.000 2.181 1009 I HA -0.310 3.857 4.170 -0.005 0.000 0.247 1009 I C 2.762 178.885 176.117 0.009 0.000 1.081 1009 I CA 1.483 62.785 61.300 0.003 0.000 1.340 1009 I CB -0.509 37.489 38.000 -0.005 0.000 1.036 1009 I HN 0.264 nan 8.210 nan 0.000 0.417 1010 A N 0.490 123.320 122.820 0.016 0.000 1.948 1010 A HA -0.257 4.061 4.320 -0.005 0.000 0.220 1010 A C 2.508 180.102 177.584 0.016 0.000 1.177 1010 A CA 2.169 54.215 52.037 0.015 0.000 0.636 1010 A CB -0.936 18.075 19.000 0.019 0.000 0.815 1010 A HN 0.486 nan 8.150 nan 0.000 0.449 1011 A N -0.485 122.350 122.820 0.025 0.000 1.835 1011 A HA 0.116 4.433 4.320 -0.005 0.000 0.215 1011 A C 2.562 180.170 177.584 0.041 0.000 1.199 1011 A CA 2.116 54.171 52.037 0.029 0.000 0.615 1011 A CB -1.680 17.344 19.000 0.040 0.000 0.838 1011 A HN 0.929 nan 8.150 nan 0.000 0.444 1012 G N -0.485 108.345 108.800 0.050 0.000 2.556 1012 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.220 1012 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.220 1012 G C 1.548 176.472 174.900 0.040 0.000 1.156 1012 G CA 1.630 46.770 45.100 0.068 0.000 0.766 1012 G HN 0.371 nan 8.290 nan 0.000 0.583 1013 V N 1.586 121.504 119.914 0.007 0.000 2.252 1013 V HA -0.224 3.894 4.120 -0.005 0.000 0.249 1013 V C 3.370 179.475 176.094 0.020 0.000 1.056 1013 V CA 2.411 64.711 62.300 -0.001 0.000 1.022 1013 V CB -1.052 30.766 31.823 -0.008 0.000 0.641 1013 V HN 0.535 nan 8.190 nan 0.000 0.445 1014 A N -0.547 122.286 122.820 0.022 0.000 1.978 1014 A HA -0.231 4.086 4.320 -0.005 0.000 0.220 1014 A C 2.204 179.813 177.584 0.041 0.000 1.170 1014 A CA 1.822 53.873 52.037 0.023 0.000 0.636 1014 A CB -0.415 18.593 19.000 0.012 0.000 0.810 1014 A HN 0.591 nan 8.150 nan 0.000 0.448 1015 K N -0.375 120.066 120.400 0.068 0.000 2.365 1015 K HA 0.092 4.409 4.320 -0.005 0.000 0.199 1015 K C 1.440 178.120 176.600 0.132 0.000 1.045 1015 K CA 0.821 57.164 56.287 0.093 0.000 0.962 1015 K CB -0.144 32.441 32.500 0.142 0.000 0.759 1015 K HN 0.406 nan 8.250 nan 0.000 0.469 1016 A N 1.653 124.544 122.820 0.118 0.000 2.411 1016 A HA 0.064 4.381 4.320 -0.005 0.000 0.251 1016 A C -0.104 177.525 177.584 0.075 0.000 1.317 1016 A CA -0.222 51.882 52.037 0.112 0.000 0.904 1016 A CB -0.240 18.799 19.000 0.064 0.000 0.993 1016 A HN 0.314 nan 8.150 nan 0.000 0.504 1017 N N -1.857 116.881 118.700 0.063 0.000 2.815 1017 N HA -0.151 4.586 4.740 -0.005 0.000 0.248 1017 N C -0.039 175.489 175.510 0.031 0.000 1.110 1017 N CA 0.953 54.034 53.050 0.051 0.000 0.699 1017 N CB -1.621 36.910 38.487 0.074 0.000 1.040 1017 N HN 0.796 nan 8.380 nan 0.000 0.555 1018 A N -0.230 122.601 122.820 0.018 0.000 2.309 1018 A HA 0.442 4.760 4.320 -0.005 0.000 0.298 1018 A C 0.986 178.566 177.584 -0.006 0.000 1.165 1018 A CA -0.336 51.701 52.037 0.001 0.000 0.821 1018 A CB 0.535 19.530 19.000 -0.007 0.000 1.102 1018 A HN 0.167 nan 8.150 nan 0.000 0.500 1019 D N 1.090 121.481 120.400 -0.015 0.000 2.333 1019 D HA 0.153 4.790 4.640 -0.005 0.000 0.208 1019 D C 0.139 176.420 176.300 -0.032 0.000 0.984 1019 D CA 1.188 55.175 54.000 -0.020 0.000 0.873 1019 D CB 0.338 41.124 40.800 -0.024 0.000 0.935 1019 D HN 0.516 nan 8.370 nan 0.000 0.521 1020 I N 0.549 121.097 120.570 -0.037 0.000 2.769 1020 I HA 0.329 4.496 4.170 -0.005 0.000 0.298 1020 I C -0.911 175.179 176.117 -0.046 0.000 1.128 1020 I CA -0.770 60.500 61.300 -0.050 0.000 1.031 1020 I CB 3.105 41.071 38.000 -0.057 0.000 1.235 1020 I HN -0.356 nan 8.210 nan 0.000 0.423 1021 I N 5.460 125.998 120.570 -0.053 0.000 2.509 1021 I HA 0.397 4.565 4.170 -0.005 0.000 0.293 1021 I C -1.242 174.842 176.117 -0.055 0.000 1.020 1021 I CA -0.778 60.497 61.300 -0.041 0.000 1.088 1021 I CB 2.299 40.284 38.000 -0.026 0.000 1.267 1021 I HN 0.274 nan 8.210 nan 0.000 0.430 1022 L N 8.037 129.235 121.223 -0.041 0.000 2.325 1022 L HA 0.632 4.969 4.340 -0.005 0.000 0.281 1022 L C -1.239 175.616 176.870 -0.025 0.000 1.004 1022 L CA -0.080 54.728 54.840 -0.054 0.000 0.823 1022 L CB 1.253 43.284 42.059 -0.047 0.000 1.236 1022 L HN 0.375 nan 8.230 nan 0.000 0.415 1023 I N 4.044 124.592 120.570 -0.036 0.000 2.330 1023 I HA 0.424 4.591 4.170 -0.005 0.000 0.289 1023 I C 0.082 176.207 176.117 0.014 0.000 1.001 1023 I CA 0.167 61.475 61.300 0.015 0.000 1.193 1023 I CB 1.658 39.683 38.000 0.041 0.000 1.345 1023 I HN 0.533 nan 8.210 nan 0.000 0.461 1024 S N 3.802 119.535 115.700 0.055 0.000 2.462 1024 S HA 0.647 5.114 4.470 -0.005 0.000 0.294 1024 S C 0.451 175.134 174.600 0.138 0.000 1.144 1024 S CA -0.737 57.503 58.200 0.067 0.000 1.088 1024 S CB 1.378 64.605 63.200 0.045 0.000 1.009 1024 S HN 0.816 nan 8.310 nan 0.000 0.484 1025 G N 2.100 111.021 108.800 0.202 0.000 2.594 1025 G HA2 0.073 4.031 3.960 -0.005 0.000 0.243 1025 G HA3 0.073 4.031 3.960 -0.005 0.000 0.243 1025 G C 1.060 176.048 174.900 0.147 0.000 1.229 1025 G CA -0.566 44.697 45.100 0.271 0.000 0.843 1025 G HN 0.769 nan 8.290 nan 0.000 0.578 1026 N N -0.431 118.337 118.700 0.113 0.000 2.166 1026 N HA -0.187 4.550 4.740 -0.005 0.000 0.186 1026 N C 1.839 177.368 175.510 0.033 0.000 1.019 1026 N CA 1.703 54.788 53.050 0.060 0.000 0.856 1026 N CB -0.466 38.051 38.487 0.051 0.000 0.993 1026 N HN 0.443 nan 8.380 nan 0.000 0.426 1027 S N -0.797 114.932 115.700 0.049 0.000 2.701 1027 S HA 0.239 4.706 4.470 -0.005 0.000 0.220 1027 S C 1.042 175.682 174.600 0.067 0.000 0.954 1027 S CA -0.292 57.929 58.200 0.035 0.000 0.936 1027 S CB -0.756 62.470 63.200 0.042 0.000 0.777 1027 S HN 0.492 nan 8.310 nan 0.000 0.518 1028 G N 0.332 109.176 108.800 0.072 0.000 2.651 1028 G HA2 0.524 4.482 3.960 -0.005 0.000 0.260 1028 G HA3 0.524 4.482 3.960 -0.005 0.000 0.260 1028 G C 0.331 175.267 174.900 0.060 0.000 1.216 1028 G CA -0.335 44.813 45.100 0.081 0.000 0.913 1028 G HN 0.533 nan 8.290 nan 0.000 0.535 1029 G N -1.963 106.876 108.800 0.066 0.000 2.547 1029 G HA2 0.551 4.508 3.960 -0.005 0.000 0.291 1029 G HA3 0.551 4.508 3.960 -0.005 0.000 0.291 1029 G C -0.375 174.542 174.900 0.029 0.000 1.211 1029 G CA 0.398 45.529 45.100 0.051 0.000 0.950 1029 G HN 1.028 nan 8.290 nan 0.000 0.504 1030 T N -2.530 112.037 114.554 0.022 0.000 2.977 1030 T HA 0.468 4.815 4.350 -0.005 0.000 0.345 1030 T C 0.971 175.683 174.700 0.020 0.000 1.562 1030 T CA 0.560 62.668 62.100 0.013 0.000 1.090 1030 T CB 1.103 69.966 68.868 -0.008 0.000 1.383 1030 T HN 0.967 nan 8.240 nan 0.000 0.484 1031 G N 1.169 109.986 108.800 0.028 0.000 2.623 1031 G HA2 0.533 4.490 3.960 -0.005 0.000 0.214 1031 G HA3 0.533 4.490 3.960 -0.005 0.000 0.214 1031 G C 0.498 175.424 174.900 0.043 0.000 1.138 1031 G CA 0.442 45.570 45.100 0.047 0.000 0.794 1031 G HN 1.344 nan 8.290 nan 0.000 0.535 1032 A N -1.153 121.668 122.820 0.001 0.000 2.577 1032 A HA 0.740 5.057 4.320 -0.005 0.000 0.297 1032 A C -0.728 176.820 177.584 -0.060 0.000 1.060 1032 A CA 0.151 52.164 52.037 -0.040 0.000 0.697 1032 A CB 1.288 20.286 19.000 -0.002 0.000 1.281 1032 A HN 1.061 nan 8.150 nan 0.000 0.402 1033 S N 1.650 117.288 115.700 -0.103 0.000 2.678 1033 S HA 0.651 5.118 4.470 -0.005 0.000 0.290 1033 S C -3.329 171.215 174.600 -0.093 0.000 1.047 1033 S CA -0.588 57.567 58.200 -0.075 0.000 0.851 1033 S CB 1.307 64.469 63.200 -0.064 0.000 1.058 1033 S HN 0.417 nan 8.310 nan 0.000 0.451 1034 P HA 0.218 nan 4.420 nan 0.000 0.271 1034 P C 0.274 177.536 177.300 -0.065 0.000 1.233 1034 P CA -0.121 62.947 63.100 -0.055 0.000 0.789 1034 P CB 0.369 32.056 31.700 -0.021 0.000 0.951 1035 Q N 0.076 119.839 119.800 -0.061 0.000 2.354 1035 Q HA -0.044 4.293 4.340 -0.005 0.000 0.203 1035 Q C 1.734 177.683 176.000 -0.086 0.000 0.933 1035 Q CA 1.400 57.170 55.803 -0.055 0.000 0.901 1035 Q CB -0.664 28.040 28.738 -0.057 0.000 1.007 1035 Q HN 0.631 nan 8.270 nan 0.000 0.495 1036 T N -1.068 113.449 114.554 -0.062 0.000 2.708 1036 T HA -0.096 4.251 4.350 -0.005 0.000 0.266 1036 T C 2.093 176.702 174.700 -0.151 0.000 1.037 1036 T CA 1.655 63.697 62.100 -0.095 0.000 1.146 1036 T CB -0.319 68.634 68.868 0.141 0.000 0.865 1036 T HN 0.072 nan 8.240 nan 0.000 0.435 1037 S N 1.635 117.303 115.700 -0.054 0.000 2.447 1037 S HA 0.150 4.618 4.470 -0.005 0.000 0.233 1037 S C 1.943 176.478 174.600 -0.109 0.000 1.006 1037 S CA 0.755 58.929 58.200 -0.044 0.000 0.957 1037 S CB -0.536 62.644 63.200 -0.033 0.000 0.773 1037 S HN 0.507 nan 8.310 nan 0.000 0.507 1038 I N 0.565 121.043 120.570 -0.152 0.000 2.676 1038 I HA -0.036 4.131 4.170 -0.005 0.000 0.259 1038 I C 1.756 177.719 176.117 -0.257 0.000 1.194 1038 I CA 0.927 62.128 61.300 -0.164 0.000 1.473 1038 I CB -0.015 37.909 38.000 -0.126 0.000 1.096 1038 I HN 0.099 nan 8.210 nan 0.000 0.443 1039 K N -0.595 119.522 120.400 -0.473 0.000 2.438 1039 K HA 0.227 4.545 4.320 -0.005 0.000 0.206 1039 K C 0.301 176.528 176.600 -0.622 0.000 1.081 1039 K CA 0.283 56.158 56.287 -0.687 0.000 1.053 1039 K CB 0.990 32.866 32.500 -1.040 0.000 0.908 1039 K HN 0.160 nan 8.250 nan 0.000 0.556 1040 F N -0.553 119.319 119.950 -0.129 0.000 2.883 1040 F HA 0.353 4.877 4.527 -0.005 0.000 0.351 1040 F C 0.937 176.751 175.800 0.024 0.000 0.970 1040 F CA -1.200 56.695 58.000 -0.175 0.000 1.130 1040 F CB -0.459 38.212 39.000 -0.549 0.000 1.015 1040 F HN -0.228 nan 8.300 nan 0.000 0.585 1041 A N 0.482 123.402 122.820 0.167 0.000 2.250 1041 A HA 0.658 4.975 4.320 -0.005 0.000 0.283 1041 A C 1.076 178.738 177.584 0.130 0.000 1.206 1041 A CA 0.258 52.389 52.037 0.156 0.000 0.840 1041 A CB -0.722 18.283 19.000 0.008 0.000 1.220 1041 A HN 0.868 nan 8.150 nan 0.000 0.505 1042 G N -2.294 106.602 108.800 0.159 0.000 2.915 1042 G HA2 0.129 4.086 3.960 -0.005 0.000 0.337 1042 G HA3 0.129 4.086 3.960 -0.005 0.000 0.337 1042 G C -0.856 174.154 174.900 0.183 0.000 1.477 1042 G CA 0.187 45.394 45.100 0.179 0.000 0.916 1042 G HN 1.413 nan 8.290 nan 0.000 0.550 1043 L N 1.112 122.432 121.223 0.161 0.000 2.466 1043 L HA 0.605 4.942 4.340 -0.005 0.000 0.258 1043 L C -2.140 174.778 176.870 0.079 0.000 0.973 1043 L CA -1.799 53.109 54.840 0.112 0.000 0.826 1043 L CB 2.774 44.907 42.059 0.122 0.000 1.372 1043 L HN 0.480 nan 8.230 nan 0.000 0.409 1044 P HA -0.117 nan 4.420 nan 0.000 0.266 1044 P C 0.331 177.640 177.300 0.015 0.000 1.186 1044 P CA 0.119 63.177 63.100 -0.071 0.000 0.767 1044 P CB 0.218 31.817 31.700 -0.168 0.000 0.820 1045 W N 2.265 123.578 121.300 0.021 0.000 2.402 1045 W HA -0.111 4.546 4.660 -0.004 0.000 0.286 1045 W C 0.905 177.434 176.519 0.017 0.000 1.221 1045 W CA 0.721 58.079 57.345 0.022 0.000 1.257 1045 W CB -1.566 27.904 29.460 0.017 0.000 1.120 1045 W HN 0.286 nan 8.180 nan 0.000 0.551 1046 E N 1.048 121.134 120.200 -0.191 0.000 2.097 1046 E HA -0.241 4.106 4.350 -0.005 0.000 0.196 1046 E C 2.332 178.954 176.600 0.037 0.000 1.000 1046 E CA 2.667 59.006 56.400 -0.101 0.000 0.804 1046 E CB -0.711 28.768 29.700 -0.369 0.000 0.740 1046 E HN 0.303 nan 8.360 nan 0.000 0.454 1047 M N -0.288 119.319 119.600 0.011 0.000 2.150 1047 M HA -0.015 4.462 4.480 -0.005 0.000 0.260 1047 M C 2.539 178.892 176.300 0.089 0.000 1.088 1047 M CA 1.771 57.096 55.300 0.041 0.000 1.108 1047 M CB -1.303 31.314 32.600 0.028 0.000 1.263 1047 M HN 0.278 nan 8.290 nan 0.000 0.431 1048 G N 1.223 110.087 108.800 0.107 0.000 2.606 1048 G HA2 -0.297 3.660 3.960 -0.005 0.000 0.221 1048 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.221 1048 G C 1.484 176.460 174.900 0.126 0.000 1.152 1048 G CA 1.647 46.817 45.100 0.118 0.000 0.765 1048 G HN 0.347 nan 8.290 nan 0.000 0.595 1049 L N 1.790 123.117 121.223 0.173 0.000 1.971 1049 L HA -0.144 4.193 4.340 -0.005 0.000 0.215 1049 L C 3.164 180.107 176.870 0.122 0.000 1.072 1049 L CA 3.080 58.006 54.840 0.144 0.000 0.758 1049 L CB -0.994 41.188 42.059 0.206 0.000 0.889 1049 L HN 0.372 nan 8.230 nan 0.000 0.433 1050 S N -1.411 114.366 115.700 0.130 0.000 2.368 1050 S HA -0.235 4.232 4.470 -0.005 0.000 0.225 1050 S C 1.850 176.523 174.600 0.121 0.000 1.030 1050 S CA 1.071 59.352 58.200 0.133 0.000 0.999 1050 S CB -0.812 62.453 63.200 0.109 0.000 0.844 1050 S HN 0.605 nan 8.310 nan 0.000 0.459 1051 E N 1.146 121.399 120.200 0.089 0.000 2.037 1051 E HA -0.209 4.138 4.350 -0.005 0.000 0.214 1051 E C 2.054 178.698 176.600 0.073 0.000 1.041 1051 E CA 2.120 58.561 56.400 0.067 0.000 0.872 1051 E CB -0.500 29.232 29.700 0.054 0.000 0.785 1051 E HN 0.377 nan 8.360 nan 0.000 0.476 1052 V N 0.642 120.600 119.914 0.074 0.000 2.222 1052 V HA -0.348 3.770 4.120 -0.005 0.000 0.252 1052 V C 2.413 178.565 176.094 0.096 0.000 1.060 1052 V CA 2.554 64.894 62.300 0.067 0.000 1.027 1052 V CB -1.004 30.852 31.823 0.055 0.000 0.644 1052 V HN 0.468 nan 8.190 nan 0.000 0.448 1053 H N -0.183 118.883 119.070 -0.007 0.000 2.394 1053 H HA -0.210 4.344 4.556 -0.005 0.000 0.297 1053 H C 2.301 177.621 175.328 -0.015 0.000 1.113 1053 H CA 2.537 58.570 56.048 -0.025 0.000 1.277 1053 H CB -0.152 29.600 29.762 -0.017 0.000 1.370 1053 H HN 0.585 nan 8.280 nan 0.000 0.506 1054 Q N -0.915 118.898 119.800 0.021 0.000 1.896 1054 Q HA -0.073 4.264 4.340 -0.005 0.000 0.205 1054 Q C 2.561 178.523 176.000 -0.063 0.000 0.978 1054 Q CA 1.420 57.180 55.803 -0.071 0.000 0.850 1054 Q CB -0.289 28.457 28.738 0.013 0.000 0.908 1054 Q HN 0.249 nan 8.270 nan 0.000 0.431 1055 V N 1.750 121.664 119.914 -0.000 0.000 2.226 1055 V HA -0.361 3.757 4.120 -0.005 0.000 0.254 1055 V C 2.364 178.466 176.094 0.013 0.000 1.065 1055 V CA 2.020 64.336 62.300 0.026 0.000 1.039 1055 V CB -0.840 31.009 31.823 0.043 0.000 0.653 1055 V HN 0.432 nan 8.190 nan 0.000 0.450 1056 L N -0.668 120.551 121.223 -0.006 0.000 2.103 1056 L HA -0.300 4.037 4.340 -0.005 0.000 0.215 1056 L C 2.573 179.411 176.870 -0.054 0.000 1.080 1056 L CA 2.335 57.161 54.840 -0.023 0.000 0.764 1056 L CB -0.919 41.119 42.059 -0.034 0.000 0.890 1056 L HN 0.445 nan 8.230 nan 0.000 0.435 1057 T N -0.326 114.157 114.554 -0.118 0.000 2.812 1057 T HA -0.120 4.227 4.350 -0.005 0.000 0.264 1057 T C 1.854 176.540 174.700 -0.023 0.000 1.042 1057 T CA 0.632 62.654 62.100 -0.129 0.000 1.140 1057 T CB -0.085 68.630 68.868 -0.254 0.000 0.870 1057 T HN 0.216 nan 8.240 nan 0.000 0.445 1058 L N 1.234 122.461 121.223 0.007 0.000 2.447 1058 L HA -0.029 4.308 4.340 -0.005 0.000 0.225 1058 L C 1.041 177.999 176.870 0.146 0.000 1.148 1058 L CA 1.272 56.165 54.840 0.088 0.000 0.808 1058 L CB -0.278 41.848 42.059 0.111 0.000 0.928 1058 L HN 0.393 nan 8.230 nan 0.000 0.448 1059 N N -0.262 118.478 118.700 0.068 0.000 2.235 1059 N HA 0.123 4.860 4.740 -0.005 0.000 0.231 1059 N C -0.279 175.212 175.510 -0.031 0.000 1.177 1059 N CA -0.287 52.753 53.050 -0.016 0.000 0.874 1059 N CB 0.667 39.109 38.487 -0.076 0.000 1.097 1059 N HN 0.102 nan 8.380 nan 0.000 0.518 1060 R N 0.751 121.262 120.500 0.019 0.000 3.416 1060 R HA -0.157 4.180 4.340 -0.005 0.000 0.263 1060 R C 0.245 176.566 176.300 0.035 0.000 1.053 1060 R CA 0.341 56.467 56.100 0.044 0.000 0.705 1060 R CB -1.812 28.505 30.300 0.029 0.000 1.124 1060 R HN 0.378 nan 8.270 nan 0.000 0.444 1061 L N -1.246 119.987 121.223 0.016 0.000 2.781 1061 L HA 0.116 4.453 4.340 -0.005 0.000 0.245 1061 L C 1.793 178.663 176.870 0.000 0.000 1.118 1061 L CA -0.250 54.597 54.840 0.011 0.000 0.918 1061 L CB 0.133 42.189 42.059 -0.005 0.000 1.246 1061 L HN 0.027 nan 8.230 nan 0.000 0.526 1062 R N -0.119 120.362 120.500 -0.032 0.000 2.362 1062 R HA -0.082 4.255 4.340 -0.005 0.000 0.204 1062 R C 1.003 177.145 176.300 -0.263 0.000 1.088 1062 R CA 1.095 57.114 56.100 -0.136 0.000 1.121 1062 R CB -0.647 29.522 30.300 -0.219 0.000 0.954 1062 R HN 0.334 nan 8.270 nan 0.000 0.478 1063 H N -1.810 117.195 119.070 -0.107 0.000 3.078 1063 H HA 0.248 4.802 4.556 -0.003 0.000 0.263 1063 H C 0.794 176.068 175.328 -0.090 0.000 1.177 1063 H CA -0.168 55.776 56.048 -0.175 0.000 1.128 1063 H CB 0.673 30.241 29.762 -0.323 0.000 1.623 1063 H HN 0.162 nan 8.280 nan 0.000 0.592 1064 R N 0.302 120.817 120.500 0.025 0.000 2.265 1064 R HA 0.190 4.527 4.340 -0.005 0.000 0.194 1064 R C -0.053 176.247 176.300 -0.000 0.000 0.931 1064 R CA 0.207 56.324 56.100 0.027 0.000 1.032 1064 R CB 1.033 31.349 30.300 0.027 0.000 0.980 1064 R HN -0.090 nan 8.270 nan 0.000 0.497 1065 V N 0.487 120.386 119.914 -0.026 0.000 3.007 1065 V HA 0.403 4.520 4.120 -0.005 0.000 0.311 1065 V C -0.895 175.163 176.094 -0.060 0.000 1.120 1065 V CA -0.953 61.326 62.300 -0.035 0.000 0.980 1065 V CB 2.301 34.107 31.823 -0.028 0.000 1.033 1065 V HN 0.072 nan 8.190 nan 0.000 0.429 1066 R N 3.518 123.980 120.500 -0.063 0.000 2.428 1066 R HA 0.647 4.984 4.340 -0.005 0.000 0.294 1066 R C -1.241 175.000 176.300 -0.099 0.000 1.000 1066 R CA -0.576 55.471 56.100 -0.087 0.000 0.960 1066 R CB 1.284 31.534 30.300 -0.084 0.000 1.076 1066 R HN 0.545 nan 8.270 nan 0.000 0.475 1067 L N 3.234 124.380 121.223 -0.128 0.000 2.317 1067 L HA 0.584 4.921 4.340 -0.005 0.000 0.281 1067 L C 0.056 176.787 176.870 -0.230 0.000 1.024 1067 L CA -0.708 54.045 54.840 -0.145 0.000 0.810 1067 L CB 1.779 43.761 42.059 -0.128 0.000 1.240 1067 L HN 0.511 nan 8.230 nan 0.000 0.427 1068 R N 0.781 121.147 120.500 -0.223 0.000 2.795 1068 R HA 0.692 5.030 4.340 -0.005 0.000 0.275 1068 R C -1.253 174.882 176.300 -0.274 0.000 0.981 1068 R CA -0.313 55.605 56.100 -0.303 0.000 0.917 1068 R CB 2.597 32.769 30.300 -0.212 0.000 1.202 1068 R HN 0.648 nan 8.270 nan 0.000 0.469 1069 T N 0.803 115.142 114.554 -0.359 0.000 2.883 1069 T HA 0.487 4.834 4.350 -0.005 0.000 0.301 1069 T C -2.092 172.402 174.700 -0.344 0.000 1.158 1069 T CA -0.543 61.346 62.100 -0.350 0.000 1.007 1069 T CB 1.432 70.013 68.868 -0.478 0.000 1.186 1069 T HN 0.784 nan 8.240 nan 0.000 0.499 1070 D N -0.223 119.990 120.400 -0.312 0.000 2.623 1070 D HA 0.579 5.216 4.640 -0.005 0.000 0.241 1070 D C -0.258 175.981 176.300 -0.103 0.000 1.241 1070 D CA -0.216 53.658 54.000 -0.209 0.000 0.788 1070 D CB 1.044 41.790 40.800 -0.091 0.000 1.413 1070 D HN 1.016 nan 8.370 nan 0.000 0.429 1071 G N -0.919 107.903 108.800 0.036 0.000 2.618 1071 G HA2 0.526 4.483 3.960 -0.005 0.000 0.234 1071 G HA3 0.526 4.483 3.960 -0.005 0.000 0.234 1071 G C 0.724 175.804 174.900 0.301 0.000 2.826 1071 G CA 0.404 45.644 45.100 0.233 0.000 0.836 1071 G HN 1.719 nan 8.290 nan 0.000 0.498 1072 G N -0.625 108.305 108.800 0.216 0.000 2.157 1072 G HA2 -0.185 3.773 3.960 -0.005 0.000 0.248 1072 G HA3 -0.185 3.773 3.960 -0.005 0.000 0.248 1072 G C 0.583 175.590 174.900 0.178 0.000 0.979 1072 G CA 0.198 45.420 45.100 0.204 0.000 0.650 1072 G HN 1.309 nan 8.290 nan 0.000 0.529 1073 L N -0.126 121.196 121.223 0.164 0.000 2.477 1073 L HA 0.349 4.687 4.340 -0.005 0.000 0.272 1073 L C 1.418 178.341 176.870 0.087 0.000 1.157 1073 L CA 0.437 55.336 54.840 0.099 0.000 0.889 1073 L CB 0.835 42.879 42.059 -0.026 0.000 1.158 1073 L HN 0.148 nan 8.230 nan 0.000 0.473 1074 K N 1.008 121.447 120.400 0.066 0.000 2.438 1074 K HA 0.243 4.560 4.320 -0.005 0.000 0.206 1074 K C -0.220 176.481 176.600 0.168 0.000 1.081 1074 K CA 0.089 56.466 56.287 0.150 0.000 1.053 1074 K CB 1.173 33.659 32.500 -0.023 0.000 0.908 1074 K HN 0.600 nan 8.250 nan 0.000 0.556 1075 T N -1.744 112.845 114.554 0.058 0.000 2.853 1075 T HA 0.218 4.565 4.350 -0.005 0.000 0.311 1075 T C 0.814 175.540 174.700 0.043 0.000 1.307 1075 T CA -0.417 61.717 62.100 0.058 0.000 1.019 1075 T CB 1.736 70.559 68.868 -0.076 0.000 1.264 1075 T HN 0.118 nan 8.240 nan 0.000 0.497 1076 G N 1.490 110.358 108.800 0.114 0.000 2.586 1076 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.218 1076 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.218 1076 G C 1.534 176.439 174.900 0.009 0.000 1.216 1076 G CA 1.801 46.950 45.100 0.081 0.000 0.786 1076 G HN 0.832 nan 8.290 nan 0.000 0.583 1077 R N 0.352 120.857 120.500 0.009 0.000 2.094 1077 R HA -0.133 4.204 4.340 -0.005 0.000 0.239 1077 R C 1.989 178.296 176.300 0.011 0.000 1.137 1077 R CA 2.083 58.185 56.100 0.004 0.000 0.943 1077 R CB -1.007 29.291 30.300 -0.004 0.000 0.850 1077 R HN 0.196 nan 8.270 nan 0.000 0.433 1078 D N 0.541 120.953 120.400 0.020 0.000 2.244 1078 D HA -0.209 4.429 4.640 -0.005 0.000 0.197 1078 D C 1.891 178.225 176.300 0.057 0.000 1.006 1078 D CA 1.732 55.789 54.000 0.094 0.000 0.888 1078 D CB -0.113 40.736 40.800 0.080 0.000 0.912 1078 D HN 0.427 nan 8.370 nan 0.000 0.452 1079 I N -0.489 120.024 120.570 -0.094 0.000 2.339 1079 I HA -0.172 3.996 4.170 -0.005 0.000 0.245 1079 I C 2.367 178.339 176.117 -0.241 0.000 1.096 1079 I CA 0.218 61.329 61.300 -0.316 0.000 1.408 1079 I CB 0.110 37.784 38.000 -0.543 0.000 1.092 1079 I HN -0.141 nan 8.210 nan 0.000 0.423 1080 V N 1.338 121.176 119.914 -0.126 0.000 2.252 1080 V HA -0.338 3.780 4.120 -0.005 0.000 0.249 1080 V C 2.331 178.436 176.094 0.017 0.000 1.056 1080 V CA 2.143 64.410 62.300 -0.056 0.000 1.022 1080 V CB -0.491 31.320 31.823 -0.020 0.000 0.641 1080 V HN 0.325 nan 8.190 nan 0.000 0.445 1081 I N 0.319 120.926 120.570 0.063 0.000 2.194 1081 I HA -0.314 3.853 4.170 -0.005 0.000 0.246 1081 I C 2.634 178.868 176.117 0.195 0.000 1.093 1081 I CA 1.618 62.989 61.300 0.118 0.000 1.355 1081 I CB -0.578 37.514 38.000 0.155 0.000 1.046 1081 I HN 0.330 nan 8.210 nan 0.000 0.413 1082 A N 0.586 123.549 122.820 0.239 0.000 1.940 1082 A HA -0.193 4.124 4.320 -0.005 0.000 0.219 1082 A C 2.531 180.222 177.584 0.177 0.000 1.176 1082 A CA 1.904 54.071 52.037 0.215 0.000 0.631 1082 A CB -0.761 18.240 19.000 0.002 0.000 0.814 1082 A HN 0.461 nan 8.150 nan 0.000 0.446 1083 A N -0.371 122.575 122.820 0.209 0.000 1.877 1083 A HA -0.125 4.192 4.320 -0.005 0.000 0.216 1083 A C 2.248 179.833 177.584 0.002 0.000 1.186 1083 A CA 1.819 53.954 52.037 0.164 0.000 0.620 1083 A CB -0.572 18.525 19.000 0.161 0.000 0.822 1083 A HN 0.527 nan 8.150 nan 0.000 0.443 1084 M N -0.382 119.214 119.600 -0.006 0.000 2.213 1084 M HA -0.076 4.401 4.480 -0.005 0.000 0.263 1084 M C 1.685 177.951 176.300 -0.057 0.000 1.062 1084 M CA 1.126 56.395 55.300 -0.051 0.000 1.105 1084 M CB -0.456 32.122 32.600 -0.036 0.000 1.385 1084 M HN 0.311 nan 8.290 nan 0.000 0.417 1085 L N -0.626 120.596 121.223 -0.002 0.000 2.551 1085 L HA 0.005 4.343 4.340 -0.005 0.000 0.228 1085 L C 1.363 178.121 176.870 -0.186 0.000 1.153 1085 L CA 0.786 55.619 54.840 -0.011 0.000 0.851 1085 L CB -0.523 41.602 42.059 0.110 0.000 0.959 1085 L HN 0.672 nan 8.230 nan 0.000 0.451 1086 G N -0.957 107.674 108.800 -0.281 0.000 2.273 1086 G HA2 -0.100 3.858 3.960 -0.005 0.000 0.162 1086 G HA3 -0.100 3.858 3.960 -0.005 0.000 0.162 1086 G C 0.243 174.934 174.900 -0.347 0.000 1.006 1086 G CA -0.160 44.581 45.100 -0.598 0.000 0.704 1086 G HN 0.389 nan 8.290 nan 0.000 0.487 1087 A N -0.016 122.680 122.820 -0.206 0.000 2.286 1087 A HA 0.816 5.133 4.320 -0.005 0.000 0.286 1087 A C 0.771 178.178 177.584 -0.295 0.000 1.097 1087 A CA 0.529 52.403 52.037 -0.272 0.000 0.821 1087 A CB 0.647 19.446 19.000 -0.335 0.000 1.076 1087 A HN 0.291 nan 8.150 nan 0.000 0.490 1088 E N -0.455 119.491 120.200 -0.423 0.000 2.541 1088 E HA 0.123 4.471 4.350 -0.005 0.000 0.219 1088 E C -0.581 175.715 176.600 -0.507 0.000 0.922 1088 E CA 0.225 56.433 56.400 -0.321 0.000 1.095 1088 E CB 0.715 30.296 29.700 -0.199 0.000 1.112 1088 E HN 0.762 nan 8.360 nan 0.000 0.516 1089 E N 0.287 119.938 120.200 -0.914 0.000 2.331 1089 E HA 0.370 4.718 4.350 -0.005 0.000 0.275 1089 E C -1.446 174.431 176.600 -1.206 0.000 0.895 1089 E CA -0.550 55.383 56.400 -0.778 0.000 0.753 1089 E CB 1.866 31.373 29.700 -0.321 0.000 1.216 1089 E HN -0.127 nan 8.360 nan 0.000 0.434 1090 F N 0.029 119.951 119.950 -0.048 0.000 2.520 1090 F HA 0.539 5.063 4.527 -0.005 0.000 0.322 1090 F C 0.695 176.384 175.800 -0.186 0.000 1.103 1090 F CA -1.004 56.892 58.000 -0.173 0.000 0.926 1090 F CB 1.809 40.668 39.000 -0.234 0.000 1.154 1090 F HN 0.412 nan 8.300 nan 0.000 0.453 1091 G N 2.759 111.513 108.800 -0.077 0.000 2.335 1091 G HA2 0.652 4.609 3.960 -0.005 0.000 0.316 1091 G HA3 0.652 4.609 3.960 -0.005 0.000 0.316 1091 G C -0.990 173.867 174.900 -0.071 0.000 1.129 1091 G CA -0.506 44.558 45.100 -0.061 0.000 0.899 1091 G HN 0.644 nan 8.290 nan 0.000 0.448 1092 I N 3.444 123.983 120.570 -0.052 0.000 2.464 1092 I HA 0.323 4.490 4.170 -0.005 0.000 0.277 1092 I C 1.106 177.284 176.117 0.101 0.000 1.040 1092 I CA -0.489 60.795 61.300 -0.025 0.000 1.153 1092 I CB 1.738 39.613 38.000 -0.208 0.000 1.274 1092 I HN 0.629 nan 8.210 nan 0.000 0.469 1093 G N 2.685 111.542 108.800 0.095 0.000 2.571 1093 G HA2 -0.020 3.937 3.960 -0.005 0.000 0.225 1093 G HA3 -0.020 3.937 3.960 -0.005 0.000 0.225 1093 G C 1.134 176.084 174.900 0.083 0.000 1.731 1093 G CA 0.635 45.792 45.100 0.094 0.000 0.858 1093 G HN 0.385 nan 8.290 nan 0.000 0.611 1094 T N 2.041 116.637 114.554 0.071 0.000 2.572 1094 T HA -0.344 4.003 4.350 -0.005 0.000 0.258 1094 T C 2.637 177.299 174.700 -0.063 0.000 1.154 1094 T CA 3.035 65.134 62.100 -0.002 0.000 1.157 1094 T CB -0.811 68.090 68.868 0.055 0.000 0.856 1094 T HN 0.490 nan 8.240 nan 0.000 0.443 1095 A N 1.343 124.222 122.820 0.098 0.000 1.948 1095 A HA -0.165 4.152 4.320 -0.005 0.000 0.220 1095 A C 2.554 180.181 177.584 0.072 0.000 1.177 1095 A CA 2.688 54.784 52.037 0.099 0.000 0.636 1095 A CB -0.897 18.330 19.000 0.379 0.000 0.815 1095 A HN 0.709 nan 8.150 nan 0.000 0.449 1096 S N 0.036 115.815 115.700 0.132 0.000 2.402 1096 S HA -0.040 4.428 4.470 -0.005 0.000 0.229 1096 S C 1.848 176.472 174.600 0.040 0.000 1.021 1096 S CA 1.185 59.462 58.200 0.129 0.000 0.974 1096 S CB -0.688 62.636 63.200 0.207 0.000 0.800 1096 S HN 0.456 nan 8.310 nan 0.000 0.484 1097 L N 0.875 122.105 121.223 0.012 0.000 2.042 1097 L HA -0.084 4.254 4.340 -0.005 0.000 0.210 1097 L C 2.605 179.443 176.870 -0.053 0.000 1.076 1097 L CA 1.572 56.408 54.840 -0.008 0.000 0.749 1097 L CB -0.595 41.443 42.059 -0.034 0.000 0.893 1097 L HN 0.335 nan 8.230 nan 0.000 0.432 1098 I N -0.403 120.077 120.570 -0.151 0.000 2.394 1098 I HA -0.256 3.911 4.170 -0.005 0.000 0.251 1098 I C 2.651 178.704 176.117 -0.107 0.000 1.136 1098 I CA 1.029 62.208 61.300 -0.202 0.000 1.425 1098 I CB -0.204 37.536 38.000 -0.434 0.000 1.079 1098 I HN 0.213 nan 8.210 nan 0.000 0.425 1099 A N 0.178 122.962 122.820 -0.060 0.000 1.968 1099 A HA -0.106 4.211 4.320 -0.005 0.000 0.217 1099 A C 2.192 179.751 177.584 -0.043 0.000 1.169 1099 A CA 0.922 52.941 52.037 -0.031 0.000 0.638 1099 A CB -0.381 18.625 19.000 0.010 0.000 0.812 1099 A HN 0.338 nan 8.150 nan 0.000 0.446 1100 M N -0.956 118.633 119.600 -0.018 0.000 2.686 1100 M HA 0.093 4.571 4.480 -0.005 0.000 0.246 1100 M C 1.292 177.543 176.300 -0.080 0.000 1.096 1100 M CA 0.959 56.248 55.300 -0.019 0.000 1.076 1100 M CB 0.048 32.738 32.600 0.150 0.000 1.504 1100 M HN 0.657 nan 8.290 nan 0.000 0.524 1101 G N -0.104 108.659 108.800 -0.062 0.000 2.205 1101 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.180 1101 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.180 1101 G C 0.109 174.990 174.900 -0.031 0.000 1.004 1101 G CA -0.293 44.770 45.100 -0.062 0.000 0.670 1101 G HN 0.472 nan 8.290 nan 0.000 0.496 1102 C N 1.445 120.723 119.300 -0.037 0.000 2.679 1102 C HA 0.536 4.994 4.460 -0.005 0.000 0.417 1102 C C 2.100 177.050 174.990 -0.065 0.000 1.302 1102 C CA 0.685 59.676 59.018 -0.046 0.000 1.973 1102 C CB -0.580 27.108 27.740 -0.088 0.000 2.715 1102 C HN 0.796 nan 8.230 nan 0.000 0.628 1103 I N 3.176 123.725 120.570 -0.034 0.000 4.081 1103 I HA 0.372 4.539 4.170 -0.005 0.000 0.333 1103 I C 0.506 176.620 176.117 -0.007 0.000 1.413 1103 I CA -0.141 61.149 61.300 -0.016 0.000 1.110 1103 I CB -0.104 37.904 38.000 0.012 0.000 1.082 1103 I HN 0.564 nan 8.210 nan 0.000 0.402 1104 M N 1.427 121.008 119.600 -0.031 0.000 2.417 1104 M HA -0.139 4.338 4.480 -0.005 0.000 0.205 1104 M C 0.128 176.451 176.300 0.038 0.000 0.452 1104 M CA 0.224 55.518 55.300 -0.011 0.000 0.512 1104 M CB -1.677 30.922 32.600 -0.000 0.000 1.774 1104 M HN 0.241 nan 8.290 nan 0.000 0.874 1105 V N 0.643 120.578 119.914 0.034 0.000 3.621 1105 V HA 0.266 4.384 4.120 -0.005 0.000 0.285 1105 V C 1.041 177.173 176.094 0.063 0.000 1.346 1105 V CA 0.971 63.298 62.300 0.045 0.000 1.104 1105 V CB -0.263 31.579 31.823 0.031 0.000 0.913 1105 V HN 0.701 nan 8.190 nan 0.000 0.432 1106 R N 0.960 121.505 120.500 0.076 0.000 3.264 1106 R HA -0.218 4.120 4.340 -0.005 0.000 0.251 1106 R C 0.104 176.507 176.300 0.172 0.000 0.971 1106 R CA 0.911 57.084 56.100 0.122 0.000 0.658 1106 R CB -1.903 28.475 30.300 0.130 0.000 1.095 1106 R HN 0.699 nan 8.270 nan 0.000 0.443 1107 Q N -1.239 118.624 119.800 0.106 0.000 2.158 1107 Q HA 0.162 4.499 4.340 -0.005 0.000 0.306 1107 Q C 0.873 176.889 176.000 0.026 0.000 0.878 1107 Q CA -0.331 55.478 55.803 0.010 0.000 1.136 1107 Q CB 0.754 29.458 28.738 -0.057 0.000 1.253 1107 Q HN 0.422 nan 8.270 nan 0.000 0.441 1108 C N 0.762 120.179 119.300 0.196 0.000 2.440 1108 C HA -0.121 4.336 4.460 -0.005 0.000 0.278 1108 C C 2.187 177.318 174.990 0.235 0.000 1.295 1108 C CA 0.940 60.066 59.018 0.180 0.000 1.738 1108 C CB -1.034 26.793 27.740 0.145 0.000 1.987 1108 C HN 0.691 nan 8.230 nan 0.000 0.492 1109 H N 0.361 119.476 119.070 0.075 0.000 2.529 1109 H HA 0.079 4.633 4.556 -0.005 0.000 0.277 1109 H C 1.818 177.273 175.328 0.212 0.000 0.999 1109 H CA 1.101 57.207 56.048 0.098 0.000 1.256 1109 H CB -0.905 28.907 29.762 0.083 0.000 1.402 1109 H HN 0.378 nan 8.280 nan 0.000 0.566 1110 S N 0.554 116.158 115.700 -0.160 0.000 2.470 1110 S HA -0.088 4.380 4.470 -0.005 0.000 0.225 1110 S C 0.726 175.351 174.600 0.042 0.000 1.006 1110 S CA 0.552 58.690 58.200 -0.103 0.000 0.934 1110 S CB -0.215 62.788 63.200 -0.329 0.000 0.778 1110 S HN 0.529 nan 8.310 nan 0.000 0.517 1111 N N 1.353 120.118 118.700 0.109 0.000 2.815 1111 N HA -0.144 4.593 4.740 -0.005 0.000 0.248 1111 N C -0.243 175.266 175.510 -0.001 0.000 1.110 1111 N CA 1.136 54.250 53.050 0.107 0.000 0.699 1111 N CB -1.698 36.932 38.487 0.239 0.000 1.040 1111 N HN 0.537 nan 8.380 nan 0.000 0.555 1112 T N -2.672 111.869 114.554 -0.023 0.000 3.630 1112 T HA 0.370 4.717 4.350 -0.005 0.000 0.238 1112 T C 0.162 174.855 174.700 -0.012 0.000 1.195 1112 T CA -0.382 61.696 62.100 -0.036 0.000 1.433 1112 T CB -0.511 68.315 68.868 -0.069 0.000 0.940 1112 T HN 0.336 nan 8.240 nan 0.000 0.641 1113 C N 3.458 122.764 119.300 0.011 0.000 2.349 1113 C HA 0.461 4.918 4.460 -0.005 0.000 0.348 1113 C C -0.785 174.222 174.990 0.029 0.000 1.223 1113 C CA -1.673 57.359 59.018 0.024 0.000 1.746 1113 C CB 0.322 28.087 27.740 0.043 0.000 2.360 1113 C HN 0.506 nan 8.230 nan 0.000 0.533 1114 P HA -0.150 nan 4.420 nan 0.000 0.220 1114 P C 0.643 177.965 177.300 0.036 0.000 1.149 1114 P CA 1.533 64.645 63.100 0.021 0.000 0.829 1114 P CB 0.138 31.848 31.700 0.017 0.000 0.772 1115 V N -3.735 116.214 119.914 0.059 0.000 3.261 1115 V HA 0.357 4.474 4.120 -0.005 0.000 0.330 1115 V C 1.337 177.539 176.094 0.180 0.000 1.461 1115 V CA 0.387 62.738 62.300 0.085 0.000 1.127 1115 V CB 0.153 32.012 31.823 0.061 0.000 1.044 1115 V HN 0.238 nan 8.190 nan 0.000 0.499 1116 G N 0.620 109.516 108.800 0.161 0.000 2.162 1116 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.260 1116 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.260 1116 G C 0.662 175.672 174.900 0.184 0.000 0.976 1116 G CA 0.795 46.020 45.100 0.209 0.000 0.655 1116 G HN 0.368 nan 8.290 nan 0.000 0.533 1117 V N -0.270 119.755 119.914 0.185 0.000 2.278 1117 V HA 0.021 4.138 4.120 -0.005 0.000 0.238 1117 V C 2.004 178.119 176.094 0.036 0.000 1.039 1117 V CA 1.793 64.166 62.300 0.122 0.000 1.017 1117 V CB 0.066 31.988 31.823 0.165 0.000 0.657 1117 V HN 0.500 nan 8.190 nan 0.000 0.462 1118 C N 2.027 121.355 119.300 0.048 0.000 2.328 1118 C HA 0.691 5.148 4.460 -0.005 0.000 0.446 1118 C C 0.006 175.018 174.990 0.037 0.000 1.090 1118 C CA -0.546 58.494 59.018 0.038 0.000 1.510 1118 C CB -0.996 26.776 27.740 0.053 0.000 1.543 1118 C HN 0.306 nan 8.230 nan 0.000 0.533 1119 V N 3.136 123.061 119.914 0.018 0.000 2.891 1119 V HA 0.364 4.482 4.120 -0.005 0.000 0.304 1119 V C -0.123 175.976 176.094 0.008 0.000 1.171 1119 V CA -0.173 62.144 62.300 0.028 0.000 0.943 1119 V CB 2.180 34.023 31.823 0.033 0.000 1.037 1119 V HN 0.461 nan 8.190 nan 0.000 0.427 1120 Q N 2.015 121.829 119.800 0.022 0.000 2.269 1120 Q HA 0.085 4.422 4.340 -0.005 0.000 0.201 1120 Q C 0.583 176.585 176.000 0.003 0.000 0.946 1120 Q CA 1.050 56.854 55.803 0.001 0.000 0.877 1120 Q CB -0.316 28.424 28.738 0.003 0.000 0.963 1120 Q HN 0.989 nan 8.270 nan 0.000 0.472 1121 D N 1.115 121.525 120.400 0.017 0.000 2.493 1121 D HA -0.098 4.539 4.640 -0.005 0.000 0.240 1121 D C 0.633 176.932 176.300 -0.002 0.000 1.142 1121 D CA 0.226 54.229 54.000 0.005 0.000 0.872 1121 D CB 0.664 41.463 40.800 -0.002 0.000 1.173 1121 D HN -0.165 nan 8.370 nan 0.000 0.467 1122 D N 2.983 123.379 120.400 -0.007 0.000 2.092 1122 D HA -0.161 4.477 4.640 -0.005 0.000 0.193 1122 D C 1.536 177.837 176.300 0.001 0.000 0.994 1122 D CA 1.208 55.204 54.000 -0.007 0.000 0.828 1122 D CB 0.193 40.986 40.800 -0.012 0.000 0.963 1122 D HN 0.529 nan 8.370 nan 0.000 0.450 1123 K N -0.066 120.334 120.400 -0.001 0.000 2.097 1123 K HA -0.123 4.194 4.320 -0.005 0.000 0.206 1123 K C 2.022 178.629 176.600 0.012 0.000 1.049 1123 K CA 0.363 56.652 56.287 0.003 0.000 0.933 1123 K CB -0.023 32.475 32.500 -0.004 0.000 0.717 1123 K HN 0.058 nan 8.250 nan 0.000 0.442 1124 L N 1.334 122.564 121.223 0.011 0.000 2.056 1124 L HA -0.099 4.238 4.340 -0.005 0.000 0.207 1124 L C 1.962 178.858 176.870 0.044 0.000 1.078 1124 L CA 1.532 56.385 54.840 0.022 0.000 0.749 1124 L CB -0.586 41.482 42.059 0.015 0.000 0.901 1124 L HN 0.059 nan 8.230 nan 0.000 0.433 1125 R N -0.761 119.760 120.500 0.035 0.000 2.249 1125 R HA -0.154 4.183 4.340 -0.005 0.000 0.230 1125 R C 1.822 178.175 176.300 0.089 0.000 1.121 1125 R CA 0.811 56.940 56.100 0.049 0.000 0.997 1125 R CB -0.176 30.127 30.300 0.006 0.000 0.867 1125 R HN 0.580 nan 8.270 nan 0.000 0.465 1126 Q N 0.292 120.132 119.800 0.067 0.000 2.451 1126 Q HA -0.012 4.325 4.340 -0.005 0.000 0.206 1126 Q C 0.966 177.017 176.000 0.085 0.000 0.947 1126 Q CA 0.555 56.402 55.803 0.073 0.000 0.937 1126 Q CB 0.306 29.068 28.738 0.040 0.000 1.025 1126 Q HN 0.302 nan 8.270 nan 0.000 0.511 1127 K N 0.519 120.972 120.400 0.089 0.000 2.487 1127 K HA 0.027 4.345 4.320 -0.005 0.000 0.192 1127 K C 0.132 176.793 176.600 0.102 0.000 1.027 1127 K CA -0.080 56.252 56.287 0.075 0.000 1.054 1127 K CB -0.016 32.516 32.500 0.053 0.000 0.824 1127 K HN 0.053 nan 8.250 nan 0.000 0.510 1128 F N 2.139 122.094 119.950 0.009 0.000 2.504 1128 F HA -0.010 4.514 4.527 -0.005 0.000 0.369 1128 F C 0.796 176.604 175.800 0.013 0.000 1.082 1128 F CA -0.518 57.489 58.000 0.012 0.000 1.216 1128 F CB 0.831 39.843 39.000 0.020 0.000 1.108 1128 F HN -0.187 nan 8.300 nan 0.000 0.554 1129 V N 4.588 124.009 119.914 -0.822 0.000 2.915 1129 V HA 0.523 4.641 4.120 -0.005 0.000 0.364 1129 V C 0.669 176.268 176.094 -0.824 0.000 1.354 1129 V CA 0.076 62.002 62.300 -0.624 0.000 1.213 1129 V CB -0.489 31.157 31.823 -0.296 0.000 1.268 1129 V HN 0.902 nan 8.190 nan 0.000 0.557 1130 G N 0.280 107.988 108.800 -1.821 0.000 2.544 1130 G HA2 0.478 4.435 3.960 -0.005 0.000 0.242 1130 G HA3 0.478 4.435 3.960 -0.005 0.000 0.242 1130 G C -0.314 174.456 174.900 -0.216 0.000 1.247 1130 G CA 0.209 44.811 45.100 -0.831 0.000 0.840 1130 G HN 0.460 nan 8.290 nan 0.000 0.578 1131 T N 3.170 117.670 114.554 -0.090 0.000 2.971 1131 T HA 0.415 4.762 4.350 -0.005 0.000 0.304 1131 T C -1.710 172.951 174.700 -0.065 0.000 1.038 1131 T CA -0.719 61.351 62.100 -0.050 0.000 1.007 1131 T CB 2.510 71.331 68.868 -0.078 0.000 1.055 1131 T HN 0.180 nan 8.240 nan 0.000 0.451 1132 P HA -0.173 nan 4.420 nan 0.000 0.217 1132 P C 1.123 178.336 177.300 -0.145 0.000 1.158 1132 P CA 1.354 64.369 63.100 -0.141 0.000 0.887 1132 P CB 0.297 31.902 31.700 -0.158 0.000 0.792 1133 E N -0.332 119.800 120.200 -0.114 0.000 2.118 1133 E HA -0.188 4.159 4.350 -0.005 0.000 0.195 1133 E C 1.853 178.377 176.600 -0.126 0.000 0.992 1133 E CA 1.289 57.621 56.400 -0.113 0.000 0.804 1133 E CB -0.652 29.000 29.700 -0.080 0.000 0.741 1133 E HN 0.340 nan 8.360 nan 0.000 0.458 1134 K N 0.305 120.641 120.400 -0.107 0.000 2.001 1134 K HA -0.064 4.253 4.320 -0.005 0.000 0.208 1134 K C 2.253 178.779 176.600 -0.124 0.000 1.048 1134 K CA 1.278 57.507 56.287 -0.095 0.000 0.932 1134 K CB -0.553 31.903 32.500 -0.073 0.000 0.715 1134 K HN 0.039 nan 8.250 nan 0.000 0.437 1135 V N 1.965 121.794 119.914 -0.142 0.000 2.233 1135 V HA -0.259 3.858 4.120 -0.005 0.000 0.247 1135 V C 2.570 178.487 176.094 -0.294 0.000 1.050 1135 V CA 1.782 63.960 62.300 -0.204 0.000 1.010 1135 V CB -0.630 31.036 31.823 -0.262 0.000 0.637 1135 V HN 0.042 nan 8.190 nan 0.000 0.444 1136 V N 0.941 120.675 119.914 -0.299 0.000 2.313 1136 V HA -0.373 3.744 4.120 -0.005 0.000 0.253 1136 V C 2.319 178.242 176.094 -0.284 0.000 1.070 1136 V CA 2.470 64.594 62.300 -0.294 0.000 1.057 1136 V CB -1.093 30.593 31.823 -0.229 0.000 0.653 1136 V HN 0.615 nan 8.190 nan 0.000 0.450 1137 N N -0.027 118.481 118.700 -0.320 0.000 2.069 1137 N HA -0.182 4.556 4.740 -0.005 0.000 0.191 1137 N C 1.780 176.854 175.510 -0.725 0.000 1.031 1137 N CA 1.731 54.425 53.050 -0.592 0.000 0.852 1137 N CB -0.554 37.623 38.487 -0.517 0.000 1.018 1137 N HN 0.435 nan 8.380 nan 0.000 0.423 1138 L N 0.878 121.934 121.223 -0.278 0.000 1.990 1138 L HA -0.148 4.189 4.340 -0.005 0.000 0.213 1138 L C 1.971 178.911 176.870 0.117 0.000 1.072 1138 L CA 1.672 56.513 54.840 0.001 0.000 0.755 1138 L CB -1.024 41.173 42.059 0.230 0.000 0.889 1138 L HN -0.053 nan 8.230 nan 0.000 0.432 1139 F N 0.010 119.888 119.950 -0.120 0.000 2.102 1139 F HA -0.154 4.370 4.527 -0.005 0.000 0.298 1139 F C 2.634 178.411 175.800 -0.038 0.000 1.105 1139 F CA 1.561 59.588 58.000 0.045 0.000 1.239 1139 F CB -1.821 37.266 39.000 0.145 0.000 0.991 1139 F HN 0.075 nan 8.300 nan 0.000 0.474 1140 T N 0.713 115.248 114.554 -0.033 0.000 2.721 1140 T HA -0.216 4.132 4.350 -0.005 0.000 0.268 1140 T C 1.772 176.387 174.700 -0.141 0.000 1.038 1140 T CA 1.473 63.474 62.100 -0.166 0.000 1.145 1140 T CB -0.442 68.225 68.868 -0.335 0.000 0.858 1140 T HN -0.036 nan 8.240 nan 0.000 0.459 1141 F N 0.678 120.503 119.950 -0.208 0.000 2.025 1141 F HA 0.103 4.628 4.527 -0.005 0.000 0.291 1141 F C 2.203 177.896 175.800 -0.180 0.000 1.150 1141 F CA -0.243 57.512 58.000 -0.408 0.000 1.166 1141 F CB -1.501 36.742 39.000 -1.262 0.000 0.995 1141 F HN -0.035 nan 8.300 nan 0.000 0.474 1142 L N 0.569 121.836 121.223 0.073 0.000 2.125 1142 L HA -0.381 3.956 4.340 -0.005 0.000 0.234 1142 L C 2.519 179.547 176.870 0.263 0.000 1.110 1142 L CA 2.255 57.241 54.840 0.244 0.000 0.832 1142 L CB -1.925 40.214 42.059 0.134 0.000 0.922 1142 L HN 0.252 nan 8.230 nan 0.000 0.449 1143 A N -0.983 122.002 122.820 0.276 0.000 1.842 1143 A HA -0.304 4.014 4.320 -0.005 0.000 0.217 1143 A C 2.245 179.862 177.584 0.054 0.000 1.206 1143 A CA 2.091 54.197 52.037 0.115 0.000 0.630 1143 A CB -0.847 18.133 19.000 -0.034 0.000 0.839 1143 A HN 0.500 nan 8.150 nan 0.000 0.447 1144 E N 0.190 120.389 120.200 -0.003 0.000 2.147 1144 E HA -0.275 4.072 4.350 -0.005 0.000 0.199 1144 E C 1.905 178.555 176.600 0.084 0.000 1.005 1144 E CA 2.064 58.426 56.400 -0.063 0.000 0.810 1144 E CB -0.344 29.146 29.700 -0.350 0.000 0.736 1144 E HN 0.773 nan 8.360 nan 0.000 0.460 1145 E N -0.752 119.582 120.200 0.224 0.000 2.204 1145 E HA -0.140 4.207 4.350 -0.005 0.000 0.195 1145 E C 1.867 178.571 176.600 0.174 0.000 0.990 1145 E CA 1.200 57.787 56.400 0.312 0.000 0.821 1145 E CB -0.012 29.946 29.700 0.431 0.000 0.750 1145 E HN 0.222 nan 8.360 nan 0.000 0.477 1146 V N 1.513 121.502 119.914 0.125 0.000 2.283 1146 V HA -0.213 3.904 4.120 -0.005 0.000 0.243 1146 V C 2.326 178.453 176.094 0.056 0.000 1.039 1146 V CA 2.172 64.513 62.300 0.068 0.000 1.016 1146 V CB -0.464 31.383 31.823 0.040 0.000 0.650 1146 V HN 0.335 nan 8.190 nan 0.000 0.449 1147 R N 0.075 120.600 120.500 0.042 0.000 2.200 1147 R HA -0.193 4.144 4.340 -0.005 0.000 0.234 1147 R C 2.036 178.372 176.300 0.059 0.000 1.127 1147 R CA 1.527 57.648 56.100 0.036 0.000 0.989 1147 R CB -0.371 29.936 30.300 0.012 0.000 0.869 1147 R HN 0.586 nan 8.270 nan 0.000 0.459 1148 E N 1.114 121.364 120.200 0.083 0.000 2.046 1148 E HA -0.104 4.243 4.350 -0.005 0.000 0.190 1148 E C 2.032 178.682 176.600 0.083 0.000 0.982 1148 E CA 0.882 57.339 56.400 0.094 0.000 0.800 1148 E CB -0.027 29.758 29.700 0.142 0.000 0.756 1148 E HN 0.301 nan 8.360 nan 0.000 0.449 1149 I N 1.117 121.737 120.570 0.083 0.000 2.208 1149 I HA -0.315 3.853 4.170 -0.005 0.000 0.245 1149 I C 2.292 178.465 176.117 0.093 0.000 1.097 1149 I CA 0.994 62.340 61.300 0.077 0.000 1.363 1149 I CB -0.153 37.886 38.000 0.065 0.000 1.051 1149 I HN 0.147 nan 8.210 nan 0.000 0.413 1150 L N 0.347 121.627 121.223 0.095 0.000 2.017 1150 L HA -0.205 4.133 4.340 -0.005 0.000 0.208 1150 L C 2.775 179.738 176.870 0.154 0.000 1.073 1150 L CA 1.430 56.355 54.840 0.142 0.000 0.745 1150 L CB -0.780 41.352 42.059 0.122 0.000 0.894 1150 L HN 0.226 nan 8.230 nan 0.000 0.432 1151 A N 0.211 123.090 122.820 0.099 0.000 2.070 1151 A HA -0.089 4.228 4.320 -0.005 0.000 0.220 1151 A C 2.352 179.971 177.584 0.058 0.000 1.159 1151 A CA 1.481 53.559 52.037 0.069 0.000 0.656 1151 A CB -1.048 17.982 19.000 0.050 0.000 0.800 1151 A HN 0.473 nan 8.150 nan 0.000 0.453 1152 G N -0.207 108.637 108.800 0.074 0.000 2.408 1152 G HA2 -0.089 3.868 3.960 -0.005 0.000 0.217 1152 G HA3 -0.089 3.868 3.960 -0.005 0.000 0.217 1152 G C 1.357 176.298 174.900 0.069 0.000 1.150 1152 G CA 0.922 46.060 45.100 0.062 0.000 0.776 1152 G HN 0.464 nan 8.290 nan 0.000 0.542 1153 L N 0.198 121.500 121.223 0.132 0.000 2.558 1153 L HA 0.274 4.611 4.340 -0.005 0.000 0.225 1153 L C 2.028 178.874 176.870 -0.041 0.000 1.128 1153 L CA 0.475 55.422 54.840 0.179 0.000 0.868 1153 L CB 0.094 42.420 42.059 0.444 0.000 1.006 1153 L HN 0.389 nan 8.230 nan 0.000 0.454 1154 G N -0.276 108.483 108.800 -0.069 0.000 2.157 1154 G HA2 -0.277 3.681 3.960 -0.005 0.000 0.239 1154 G HA3 -0.277 3.681 3.960 -0.005 0.000 0.239 1154 G C 0.014 174.689 174.900 -0.376 0.000 0.982 1154 G CA -0.425 44.526 45.100 -0.248 0.000 0.650 1154 G HN 0.184 nan 8.290 nan 0.000 0.527 1155 F N -0.638 119.326 119.950 0.024 0.000 2.422 1155 F HA 0.702 5.226 4.527 -0.005 0.000 0.333 1155 F C 1.339 177.149 175.800 0.018 0.000 1.095 1155 F CA -1.022 56.992 58.000 0.022 0.000 1.038 1155 F CB 1.558 40.573 39.000 0.026 0.000 1.156 1155 F HN -0.097 nan 8.300 nan 0.000 0.483 1156 R N 0.708 121.326 120.500 0.196 0.000 2.427 1156 R HA 0.242 4.579 4.340 -0.005 0.000 0.262 1156 R C -0.626 175.731 176.300 0.096 0.000 0.943 1156 R CA 0.131 56.297 56.100 0.109 0.000 1.081 1156 R CB 0.236 30.578 30.300 0.071 0.000 1.166 1156 R HN 0.686 nan 8.270 nan 0.000 0.534 1157 S N -1.969 113.803 115.700 0.120 0.000 2.586 1157 S HA 0.063 4.530 4.470 -0.005 0.000 0.277 1157 S C -0.033 174.588 174.600 0.035 0.000 1.131 1157 S CA -0.886 57.352 58.200 0.063 0.000 0.848 1157 S CB 0.744 63.976 63.200 0.053 0.000 1.091 1157 S HN 0.018 nan 8.310 nan 0.000 0.453 1158 L N 2.783 124.013 121.223 0.011 0.000 2.083 1158 L HA 0.071 4.408 4.340 -0.005 0.000 0.209 1158 L C 2.395 179.256 176.870 -0.015 0.000 1.083 1158 L CA 1.913 56.751 54.840 -0.003 0.000 0.752 1158 L CB -0.977 41.092 42.059 0.017 0.000 0.899 1158 L HN 0.877 nan 8.230 nan 0.000 0.433 1159 N N 0.229 118.930 118.700 0.002 0.000 2.043 1159 N HA -0.220 4.518 4.740 -0.005 0.000 0.193 1159 N C 1.346 176.846 175.510 -0.018 0.000 1.037 1159 N CA 1.543 54.594 53.050 0.001 0.000 0.851 1159 N CB -0.053 38.446 38.487 0.020 0.000 1.027 1159 N HN 0.514 nan 8.380 nan 0.000 0.422 1160 E N -0.016 120.182 120.200 -0.004 0.000 2.516 1160 E HA -0.104 4.243 4.350 -0.005 0.000 0.206 1160 E C 0.702 177.186 176.600 -0.193 0.000 1.107 1160 E CA 0.226 56.620 56.400 -0.009 0.000 0.903 1160 E CB 0.240 30.011 29.700 0.118 0.000 0.838 1160 E HN 0.186 nan 8.360 nan 0.000 0.574 1161 V N 0.455 120.241 119.914 -0.214 0.000 3.432 1161 V HA 0.095 4.213 4.120 -0.005 0.000 0.290 1161 V C 0.326 176.309 176.094 -0.184 0.000 1.591 1161 V CA -0.256 61.834 62.300 -0.349 0.000 1.069 1161 V CB 0.615 32.154 31.823 -0.473 0.000 0.892 1161 V HN 0.132 nan 8.190 nan 0.000 0.436 1162 I N 1.558 122.064 120.570 -0.108 0.000 2.648 1162 I HA 0.322 4.489 4.170 -0.005 0.000 0.284 1162 I C 1.695 177.749 176.117 -0.105 0.000 1.153 1162 I CA 1.563 62.807 61.300 -0.093 0.000 1.426 1162 I CB 0.581 38.537 38.000 -0.074 0.000 1.381 1162 I HN 0.418 nan 8.210 nan 0.000 0.571 1163 G N 5.260 113.961 108.800 -0.164 0.000 2.302 1163 G HA2 -0.309 3.648 3.960 -0.005 0.000 0.263 1163 G HA3 -0.309 3.648 3.960 -0.005 0.000 0.263 1163 G C 0.856 175.741 174.900 -0.025 0.000 0.995 1163 G CA -0.302 44.717 45.100 -0.136 0.000 0.622 1163 G HN 0.583 nan 8.290 nan 0.000 0.538 1164 R N 2.022 122.489 120.500 -0.055 0.000 3.853 1164 R HA 0.081 4.418 4.340 -0.005 0.000 0.169 1164 R C 2.163 178.439 176.300 -0.041 0.000 1.823 1164 R CA 1.117 57.189 56.100 -0.046 0.000 1.283 1164 R CB -1.082 29.145 30.300 -0.121 0.000 1.323 1164 R HN 0.751 nan 8.270 nan 0.000 0.741 1165 T N -2.681 111.862 114.554 -0.017 0.000 3.007 1165 T HA -0.145 4.202 4.350 -0.005 0.000 0.270 1165 T C 1.366 176.020 174.700 -0.076 0.000 1.107 1165 T CA 1.079 63.155 62.100 -0.040 0.000 1.118 1165 T CB -0.031 68.825 68.868 -0.019 0.000 0.889 1165 T HN 0.491 nan 8.240 nan 0.000 0.506 1166 D N 2.379 122.754 120.400 -0.041 0.000 2.203 1166 D HA -0.191 4.447 4.640 -0.005 0.000 0.199 1166 D C 1.689 177.928 176.300 -0.101 0.000 0.997 1166 D CA 1.005 54.976 54.000 -0.048 0.000 0.863 1166 D CB -0.605 40.212 40.800 0.029 0.000 0.928 1166 D HN 0.478 nan 8.370 nan 0.000 0.458 1167 L N -0.072 121.124 121.223 -0.045 0.000 2.675 1167 L HA 0.094 4.431 4.340 -0.005 0.000 0.238 1167 L C 0.428 177.227 176.870 -0.119 0.000 1.155 1167 L CA 0.362 55.206 54.840 0.005 0.000 0.881 1167 L CB -0.470 41.631 42.059 0.070 0.000 1.008 1167 L HN 0.022 nan 8.230 nan 0.000 0.443 1168 L N -0.895 120.112 121.223 -0.359 0.000 2.372 1168 L HA 0.452 4.789 4.340 -0.005 0.000 0.274 1168 L C -0.915 175.673 176.870 -0.470 0.000 0.988 1168 L CA -0.826 53.842 54.840 -0.287 0.000 0.833 1168 L CB 1.108 43.104 42.059 -0.105 0.000 1.236 1168 L HN 0.016 nan 8.230 nan 0.000 0.410 1169 H N 0.865 119.946 119.070 0.018 0.000 2.533 1169 H HA 0.387 4.940 4.556 -0.005 0.000 0.343 1169 H C -0.509 174.821 175.328 0.003 0.000 1.160 1169 H CA -0.795 55.261 56.048 0.013 0.000 1.218 1169 H CB 1.321 31.092 29.762 0.015 0.000 1.566 1169 H HN 0.526 nan 8.280 nan 0.000 0.522 1170 Q N 2.321 122.179 119.800 0.097 0.000 2.398 1170 Q HA 0.286 4.623 4.340 -0.005 0.000 0.251 1170 Q C -0.683 175.343 176.000 0.044 0.000 0.999 1170 Q CA -0.521 55.309 55.803 0.046 0.000 0.874 1170 Q CB 0.819 29.566 28.738 0.015 0.000 1.215 1170 Q HN 0.615 nan 8.270 nan 0.000 0.470 1171 V N 2.083 122.018 119.914 0.034 0.000 3.174 1171 V HA -0.045 4.072 4.120 -0.005 0.000 0.254 1171 V C 0.961 177.055 176.094 -0.000 0.000 1.120 1171 V CA 0.544 62.853 62.300 0.016 0.000 1.114 1171 V CB -0.222 31.608 31.823 0.011 0.000 0.756 1171 V HN 0.959 nan 8.190 nan 0.000 0.467 1172 S N 1.796 117.490 115.700 -0.010 0.000 3.415 1172 S HA -0.216 4.251 4.470 -0.005 0.000 0.257 1172 S C 0.246 174.832 174.600 -0.023 0.000 0.773 1172 S CA 0.438 58.625 58.200 -0.022 0.000 1.382 1172 S CB -0.765 62.422 63.200 -0.022 0.000 1.146 1172 S HN 0.556 nan 8.310 nan 0.000 0.432 1173 R N 1.152 121.637 120.500 -0.024 0.000 2.854 1173 R HA 0.899 5.236 4.340 -0.005 0.000 0.271 1173 R C 0.642 176.924 176.300 -0.029 0.000 0.994 1173 R CA -0.157 55.928 56.100 -0.025 0.000 0.945 1173 R CB 1.627 31.916 30.300 -0.017 0.000 1.194 1173 R HN 0.582 nan 8.270 nan 0.000 0.476 1174 G N -0.765 108.016 108.800 -0.030 0.000 2.428 1174 G HA2 0.496 4.453 3.960 -0.005 0.000 0.305 1174 G HA3 0.496 4.453 3.960 -0.005 0.000 0.305 1174 G C -1.879 173.004 174.900 -0.027 0.000 1.260 1174 G CA -0.123 44.959 45.100 -0.029 0.000 0.853 1174 G HN 0.555 nan 8.290 nan 0.000 0.480 1175 A N -0.076 122.731 122.820 -0.021 0.000 2.267 1175 A HA 0.859 5.176 4.320 -0.005 0.000 0.315 1175 A C -0.135 177.437 177.584 -0.020 0.000 1.297 1175 A CA -0.138 51.892 52.037 -0.011 0.000 0.865 1175 A CB 0.665 19.668 19.000 0.006 0.000 1.165 1175 A HN 0.618 nan 8.150 nan 0.000 0.513 1176 E N 0.073 120.249 120.200 -0.039 0.000 2.357 1176 E HA 0.165 4.513 4.350 -0.005 0.000 0.264 1176 E C -1.319 175.257 176.600 -0.039 0.000 1.164 1176 E CA -0.787 55.567 56.400 -0.077 0.000 0.893 1176 E CB 0.926 30.413 29.700 -0.356 0.000 1.619 1176 E HN 0.956 nan 8.360 nan 0.000 0.464 1177 H N -0.210 118.877 119.070 0.027 0.000 2.551 1177 H HA 0.408 4.961 4.556 -0.005 0.000 0.358 1177 H C 0.083 175.423 175.328 0.021 0.000 1.151 1177 H CA -0.621 55.441 56.048 0.024 0.000 1.374 1177 H CB 0.304 30.083 29.762 0.027 0.000 1.473 1177 H HN 0.169 nan 8.280 nan 0.000 0.574 1178 L N 3.042 124.323 121.223 0.098 0.000 2.600 1178 L HA 0.029 4.366 4.340 -0.005 0.000 0.278 1178 L C -0.182 176.730 176.870 0.070 0.000 1.139 1178 L CA 0.275 55.139 54.840 0.040 0.000 0.933 1178 L CB -0.291 41.794 42.059 0.042 0.000 1.266 1178 L HN 0.827 nan 8.230 nan 0.000 0.471 1179 D N 1.560 121.958 120.400 -0.004 0.000 2.363 1179 D HA 0.295 4.933 4.640 -0.005 0.000 0.258 1179 D C -0.965 175.328 176.300 -0.011 0.000 1.259 1179 D CA -0.573 53.447 54.000 0.033 0.000 0.921 1179 D CB 1.404 42.248 40.800 0.073 0.000 1.201 1179 D HN 0.211 nan 8.370 nan 0.000 0.524 1180 D N 0.951 121.355 120.400 0.005 0.000 2.326 1180 D HA 0.542 5.179 4.640 -0.005 0.000 0.248 1180 D C 0.092 176.393 176.300 0.002 0.000 1.001 1180 D CA -0.398 53.599 54.000 -0.005 0.000 0.961 1180 D CB 2.116 42.914 40.800 -0.004 0.000 1.183 1180 D HN 0.267 nan 8.370 nan 0.000 0.502 1181 L N 0.337 121.558 121.223 -0.003 0.000 2.332 1181 L HA 0.449 4.787 4.340 -0.005 0.000 0.269 1181 L C -0.290 176.580 176.870 -0.000 0.000 1.016 1181 L CA -0.806 54.034 54.840 -0.000 0.000 0.809 1181 L CB 1.073 43.128 42.059 -0.006 0.000 1.280 1181 L HN 0.238 nan 8.230 nan 0.000 0.447 1182 D N 1.225 121.626 120.400 0.001 0.000 2.460 1182 D HA 0.277 4.915 4.640 -0.005 0.000 0.232 1182 D C 0.024 176.324 176.300 -0.001 0.000 1.079 1182 D CA -0.116 53.886 54.000 0.003 0.000 0.864 1182 D CB 0.922 41.726 40.800 0.006 0.000 1.048 1182 D HN 0.364 nan 8.370 nan 0.000 0.523 1183 L N 3.562 124.783 121.223 -0.004 0.000 2.685 1183 L HA 0.153 4.490 4.340 -0.005 0.000 0.233 1183 L C 1.575 178.442 176.870 -0.005 0.000 1.173 1183 L CA -0.153 54.681 54.840 -0.010 0.000 0.961 1183 L CB -0.236 41.812 42.059 -0.017 0.000 1.217 1183 L HN 0.307 nan 8.230 nan 0.000 0.478 1184 N N 1.567 120.268 118.700 0.002 0.000 2.083 1184 N HA -0.084 4.654 4.740 -0.005 0.000 0.190 1184 N C -0.846 174.668 175.510 0.008 0.000 1.047 1184 N CA 1.251 54.303 53.050 0.005 0.000 0.845 1184 N CB -0.572 37.920 38.487 0.008 0.000 1.025 1184 N HN -0.049 nan 8.380 nan 0.000 0.428 1185 P HA -0.190 nan 4.420 nan 0.000 0.219 1185 P C 0.729 178.040 177.300 0.019 0.000 1.145 1185 P CA 1.334 64.442 63.100 0.014 0.000 0.813 1185 P CB -0.026 31.681 31.700 0.012 0.000 0.771 1186 R N -1.203 119.305 120.500 0.013 0.000 2.100 1186 R HA 0.139 4.477 4.340 -0.005 0.000 0.220 1186 R C 2.108 178.422 176.300 0.023 0.000 1.091 1186 R CA 0.900 57.011 56.100 0.019 0.000 0.986 1186 R CB -0.839 29.462 30.300 0.002 0.000 0.888 1186 R HN 0.324 nan 8.270 nan 0.000 0.444 1187 L N 0.930 122.159 121.223 0.010 0.000 2.558 1187 L HA 0.226 4.563 4.340 -0.005 0.000 0.225 1187 L C 1.095 177.973 176.870 0.013 0.000 1.128 1187 L CA -0.297 54.545 54.840 0.003 0.000 0.868 1187 L CB -0.281 41.766 42.059 -0.019 0.000 1.006 1187 L HN -0.021 nan 8.230 nan 0.000 0.454 1188 A N 0.685 123.518 122.820 0.021 0.000 2.445 1188 A HA 0.281 4.598 4.320 -0.005 0.000 0.242 1188 A C 0.114 177.719 177.584 0.035 0.000 1.075 1188 A CA -0.079 51.972 52.037 0.023 0.000 0.777 1188 A CB 0.239 19.251 19.000 0.020 0.000 1.013 1188 A HN 0.311 nan 8.150 nan 0.000 0.493 1189 Q N 0.973 120.792 119.800 0.032 0.000 2.214 1189 Q HA 0.394 4.731 4.340 -0.005 0.000 0.251 1189 Q C 0.498 176.512 176.000 0.023 0.000 0.936 1189 Q CA -0.853 54.972 55.803 0.036 0.000 0.894 1189 Q CB 1.708 30.471 28.738 0.041 0.000 1.252 1189 Q HN 0.472 nan 8.270 nan 0.000 0.448 1190 V N 0.389 120.309 119.914 0.010 0.000 2.341 1190 V HA -0.082 4.035 4.120 -0.005 0.000 0.240 1190 V C 0.019 176.124 176.094 0.018 0.000 1.035 1190 V CA 1.457 63.760 62.300 0.004 0.000 1.033 1190 V CB 0.271 32.081 31.823 -0.020 0.000 0.678 1190 V HN 0.754 nan 8.190 nan 0.000 0.464 1191 D N 0.505 120.919 120.400 0.024 0.000 2.483 1191 D HA 0.347 4.984 4.640 -0.005 0.000 0.281 1191 D C -2.436 173.889 176.300 0.041 0.000 1.174 1191 D CA -1.088 52.934 54.000 0.036 0.000 0.938 1191 D CB 0.996 41.823 40.800 0.046 0.000 1.002 1191 D HN 0.306 nan 8.370 nan 0.000 0.501 1192 P HA 0.332 nan 4.420 nan 0.000 0.270 1192 P C 0.634 177.961 177.300 0.045 0.000 1.227 1192 P CA 0.192 63.317 63.100 0.042 0.000 0.788 1192 P CB 0.636 32.358 31.700 0.036 0.000 0.926 1193 G N 0.310 109.140 108.800 0.050 0.000 2.781 1193 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.683 1193 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.683 1193 G C -0.667 174.265 174.900 0.054 0.000 1.390 1193 G CA -0.889 44.241 45.100 0.049 0.000 0.850 1193 G HN 0.573 nan 8.290 nan 0.000 0.557 1194 E N 0.666 120.897 120.200 0.051 0.000 2.820 1194 E HA -0.052 4.295 4.350 -0.005 0.000 0.251 1194 E C 1.362 177.999 176.600 0.062 0.000 0.944 1194 E CA 1.061 57.494 56.400 0.055 0.000 0.955 1194 E CB -0.258 29.470 29.700 0.047 0.000 0.904 1194 E HN 0.705 nan 8.360 nan 0.000 0.513 1195 N N 0.921 119.668 118.700 0.078 0.000 2.467 1195 N HA 0.319 5.056 4.740 -0.005 0.000 0.262 1195 N C -0.440 175.122 175.510 0.087 0.000 1.234 1195 N CA -0.553 52.558 53.050 0.102 0.000 0.952 1195 N CB 0.826 39.389 38.487 0.127 0.000 1.158 1195 N HN 0.336 nan 8.380 nan 0.000 0.463 1196 A N 0.816 123.694 122.820 0.097 0.000 2.271 1196 A HA 0.489 4.806 4.320 -0.005 0.000 0.288 1196 A C -0.022 177.602 177.584 0.066 0.000 1.094 1196 A CA -0.705 51.351 52.037 0.032 0.000 0.828 1196 A CB 0.506 19.470 19.000 -0.059 0.000 1.091 1196 A HN 0.639 nan 8.150 nan 0.000 0.493 1197 R N -0.117 120.379 120.500 -0.007 0.000 2.460 1197 R HA 0.458 4.795 4.340 -0.005 0.000 0.303 1197 R C -1.730 174.547 176.300 -0.038 0.000 0.968 1197 R CA -0.202 55.928 56.100 0.050 0.000 0.889 1197 R CB 0.743 31.065 30.300 0.037 0.000 1.123 1197 R HN 0.685 nan 8.270 nan 0.000 0.455 1198 Y N 0.104 120.402 120.300 -0.004 0.000 2.420 1198 Y HA 0.309 4.858 4.550 -0.003 0.000 0.334 1198 Y C 0.614 176.516 175.900 0.004 0.000 1.094 1198 Y CA -0.279 57.805 58.100 -0.027 0.000 1.126 1198 Y CB 1.424 39.866 38.460 -0.031 0.000 1.217 1198 Y HN 0.476 nan 8.280 nan 0.000 0.462 1199 C N 0.775 120.151 119.300 0.127 0.000 2.403 1199 C HA 0.319 4.776 4.460 -0.005 0.000 0.361 1199 C C 0.299 175.360 174.990 0.118 0.000 1.274 1199 C CA -0.734 58.338 59.018 0.090 0.000 2.433 1199 C CB 0.602 28.366 27.740 0.041 0.000 2.323 1199 C HN 0.772 nan 8.230 nan 0.000 0.614 1200 T N 3.981 118.581 114.554 0.077 0.000 2.784 1200 T HA 0.143 4.491 4.350 -0.005 0.000 0.291 1200 T C 0.073 174.813 174.700 0.066 0.000 0.942 1200 T CA -0.037 62.103 62.100 0.067 0.000 1.161 1200 T CB -0.219 68.673 68.868 0.040 0.000 0.885 1200 T HN 0.243 nan 8.240 nan 0.000 0.534 1201 L N 3.943 125.213 121.223 0.079 0.000 2.380 1201 L HA 0.376 4.714 4.340 -0.005 0.000 0.273 1201 L C 0.514 177.407 176.870 0.038 0.000 1.138 1201 L CA 0.135 55.016 54.840 0.069 0.000 0.832 1201 L CB 0.303 42.411 42.059 0.081 0.000 1.124 1201 L HN 0.674 nan 8.230 nan 0.000 0.454 1202 Q N 0.434 120.251 119.800 0.027 0.000 2.458 1202 Q HA 0.754 5.091 4.340 -0.005 0.000 0.282 1202 Q C 0.442 176.446 176.000 0.007 0.000 1.106 1202 Q CA 0.186 55.997 55.803 0.013 0.000 0.814 1202 Q CB 1.993 30.735 28.738 0.008 0.000 1.425 1202 Q HN 0.843 nan 8.270 nan 0.000 0.437 1203 G N 0.897 109.695 108.800 -0.003 0.000 2.527 1203 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.268 1203 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.268 1203 G C -0.921 173.973 174.900 -0.011 0.000 1.175 1203 G CA 0.211 45.305 45.100 -0.010 0.000 0.962 1203 G HN 0.827 nan 8.290 nan 0.000 0.560 1204 R N -0.291 120.201 120.500 -0.012 0.000 2.750 1204 R HA 0.629 4.966 4.340 -0.005 0.000 0.281 1204 R C -0.219 176.081 176.300 -0.001 0.000 0.972 1204 R CA -0.485 55.608 56.100 -0.012 0.000 0.912 1204 R CB 0.729 31.016 30.300 -0.022 0.000 1.187 1204 R HN 0.595 nan 8.270 nan 0.000 0.464 1205 N N 1.745 120.448 118.700 0.004 0.000 2.418 1205 N HA -0.064 4.673 4.740 -0.005 0.000 0.277 1205 N C -0.656 174.865 175.510 0.019 0.000 1.317 1205 N CA 0.160 53.219 53.050 0.016 0.000 0.922 1205 N CB 0.437 38.937 38.487 0.021 0.000 1.194 1205 N HN 0.495 nan 8.380 nan 0.000 0.485 1206 E N 1.298 121.510 120.200 0.020 0.000 2.391 1206 E HA 0.357 4.704 4.350 -0.005 0.000 0.255 1206 E C -0.625 176.006 176.600 0.052 0.000 1.187 1206 E CA -0.197 56.217 56.400 0.023 0.000 0.941 1206 E CB 0.882 30.592 29.700 0.016 0.000 1.010 1206 E HN 0.120 nan 8.360 nan 0.000 0.458 1207 V N 2.006 121.960 119.914 0.066 0.000 3.114 1207 V HA 0.398 4.515 4.120 -0.005 0.000 0.308 1207 V C -2.301 173.894 176.094 0.168 0.000 1.168 1207 V CA -1.739 60.648 62.300 0.145 0.000 1.015 1207 V CB 2.106 34.051 31.823 0.204 0.000 1.050 1207 V HN 0.718 nan 8.190 nan 0.000 0.433 1208 P HA 0.249 nan 4.420 nan 0.000 0.271 1208 P C -0.937 176.512 177.300 0.248 0.000 1.216 1208 P CA -0.252 62.976 63.100 0.214 0.000 0.771 1208 P CB 0.262 32.087 31.700 0.207 0.000 0.864 1209 D N 0.914 121.403 120.400 0.147 0.000 2.354 1209 D HA 0.201 4.839 4.640 -0.005 0.000 0.238 1209 D C 0.627 177.026 176.300 0.165 0.000 1.250 1209 D CA 0.504 54.575 54.000 0.118 0.000 0.911 1209 D CB 0.461 41.300 40.800 0.066 0.000 1.163 1209 D HN 0.276 nan 8.370 nan 0.000 0.456 1210 T N 0.189 114.820 114.554 0.128 0.000 2.604 1210 T HA 0.125 4.473 4.350 -0.005 0.000 0.267 1210 T C 1.090 175.809 174.700 0.032 0.000 0.923 1210 T CA -0.738 61.431 62.100 0.115 0.000 1.077 1210 T CB 0.489 69.451 68.868 0.156 0.000 1.392 1210 T HN 0.110 nan 8.240 nan 0.000 0.531 1211 L N 1.298 122.518 121.223 -0.004 0.000 2.187 1211 L HA -0.048 4.289 4.340 -0.005 0.000 0.213 1211 L C 1.356 178.154 176.870 -0.120 0.000 1.100 1211 L CA 1.951 56.727 54.840 -0.106 0.000 0.765 1211 L CB -1.202 40.778 42.059 -0.132 0.000 0.904 1211 L HN 0.521 nan 8.230 nan 0.000 0.437 1212 D N -0.396 119.978 120.400 -0.043 0.000 2.309 1212 D HA -0.086 4.551 4.640 -0.005 0.000 0.212 1212 D C 2.036 178.324 176.300 -0.021 0.000 0.968 1212 D CA 1.100 55.084 54.000 -0.027 0.000 0.882 1212 D CB -0.076 40.726 40.800 0.004 0.000 0.918 1212 D HN 0.463 nan 8.370 nan 0.000 0.503 1213 A N -0.319 122.488 122.820 -0.021 0.000 2.235 1213 A HA 0.055 4.372 4.320 -0.005 0.000 0.208 1213 A C 1.993 179.572 177.584 -0.008 0.000 1.172 1213 A CA 0.525 52.556 52.037 -0.009 0.000 0.786 1213 A CB -0.133 18.868 19.000 0.001 0.000 0.804 1213 A HN 0.071 nan 8.150 nan 0.000 0.479 1214 R N -1.113 119.361 120.500 -0.044 0.000 2.276 1214 R HA 0.327 4.664 4.340 -0.005 0.000 0.195 1214 R C 1.502 177.817 176.300 0.025 0.000 0.908 1214 R CA 0.295 56.383 56.100 -0.020 0.000 1.083 1214 R CB -0.063 30.184 30.300 -0.088 0.000 1.182 1214 R HN 0.417 nan 8.270 nan 0.000 0.608 1215 I N 0.680 121.220 120.570 -0.050 0.000 2.208 1215 I HA -0.261 3.906 4.170 -0.005 0.000 0.245 1215 I C 1.826 178.040 176.117 0.161 0.000 1.097 1215 I CA 1.164 62.515 61.300 0.085 0.000 1.363 1215 I CB -0.049 37.972 38.000 0.034 0.000 1.051 1215 I HN -0.006 nan 8.210 nan 0.000 0.413 1216 V N 0.798 120.790 119.914 0.130 0.000 2.626 1216 V HA -0.236 3.881 4.120 -0.005 0.000 0.252 1216 V C 2.555 178.759 176.094 0.183 0.000 1.067 1216 V CA 1.810 64.225 62.300 0.192 0.000 1.081 1216 V CB -1.020 30.848 31.823 0.074 0.000 0.686 1216 V HN 0.490 nan 8.190 nan 0.000 0.468 1217 A N -0.246 122.647 122.820 0.122 0.000 1.898 1217 A HA -0.132 4.186 4.320 -0.005 0.000 0.214 1217 A C 1.868 179.533 177.584 0.135 0.000 1.183 1217 A CA 1.354 53.455 52.037 0.107 0.000 0.622 1217 A CB -0.449 18.598 19.000 0.078 0.000 0.824 1217 A HN 0.473 nan 8.150 nan 0.000 0.444 1218 D N 0.144 120.639 120.400 0.159 0.000 2.392 1218 D HA 0.117 4.754 4.640 -0.005 0.000 0.228 1218 D C 1.174 177.564 176.300 0.150 0.000 1.003 1218 D CA 1.017 55.115 54.000 0.163 0.000 0.917 1218 D CB 0.023 40.964 40.800 0.235 0.000 0.890 1218 D HN 0.410 nan 8.370 nan 0.000 0.532 1219 A N -0.150 122.783 122.820 0.189 0.000 2.574 1219 A HA 0.188 4.506 4.320 -0.005 0.000 0.283 1219 A C 1.820 179.539 177.584 0.225 0.000 1.270 1219 A CA -0.350 51.795 52.037 0.180 0.000 0.945 1219 A CB 0.014 19.150 19.000 0.228 0.000 1.127 1219 A HN -0.039 nan 8.150 nan 0.000 0.522 1220 R N 0.994 121.619 120.500 0.208 0.000 2.094 1220 R HA -0.146 4.191 4.340 -0.005 0.000 0.239 1220 R C -1.013 175.391 176.300 0.174 0.000 1.137 1220 R CA 2.650 58.883 56.100 0.222 0.000 0.943 1220 R CB -1.037 29.347 30.300 0.140 0.000 0.850 1220 R HN 0.378 nan 8.270 nan 0.000 0.433 1221 P HA -0.202 nan 4.420 nan 0.000 0.216 1221 P C 1.147 178.467 177.300 0.034 0.000 1.153 1221 P CA 0.967 64.101 63.100 0.058 0.000 0.858 1221 P CB -0.123 31.592 31.700 0.026 0.000 0.789 1222 L N -0.838 120.355 121.223 -0.051 0.000 1.956 1222 L HA -0.182 4.156 4.340 -0.005 0.000 0.216 1222 L C 2.078 178.874 176.870 -0.123 0.000 1.073 1222 L CA 2.081 56.808 54.840 -0.188 0.000 0.762 1222 L CB -1.733 40.009 42.059 -0.528 0.000 0.889 1222 L HN -0.121 nan 8.230 nan 0.000 0.433 1223 F N -0.259 119.819 119.950 0.213 0.000 2.502 1223 F HA -0.019 4.505 4.527 -0.004 0.000 0.298 1223 F C 2.440 178.311 175.800 0.119 0.000 1.111 1223 F CA 0.979 59.091 58.000 0.186 0.000 1.445 1223 F CB -0.437 38.620 39.000 0.095 0.000 1.081 1223 F HN 0.280 nan 8.300 nan 0.000 0.558 1224 E N -0.671 119.673 120.200 0.240 0.000 2.201 1224 E HA -0.013 4.334 4.350 -0.005 0.000 0.193 1224 E C 1.530 178.205 176.600 0.125 0.000 0.957 1224 E CA 0.459 56.956 56.400 0.161 0.000 0.858 1224 E CB 0.143 29.921 29.700 0.129 0.000 0.816 1224 E HN 0.394 nan 8.360 nan 0.000 0.475 1225 E N -0.955 119.315 120.200 0.117 0.000 2.572 1225 E HA 0.094 4.441 4.350 -0.005 0.000 0.220 1225 E C 0.590 177.255 176.600 0.108 0.000 0.945 1225 E CA 0.350 56.806 56.400 0.094 0.000 1.070 1225 E CB 1.464 31.202 29.700 0.064 0.000 1.090 1225 E HN 0.310 nan 8.360 nan 0.000 0.506 1226 G N 2.225 111.110 108.800 0.141 0.000 2.179 1226 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.260 1226 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.260 1226 G C 0.212 175.190 174.900 0.130 0.000 0.977 1226 G CA 0.490 45.681 45.100 0.150 0.000 0.641 1226 G HN 0.275 nan 8.290 nan 0.000 0.533 1227 E N 0.187 120.414 120.200 0.046 0.000 2.468 1227 E HA 0.240 4.587 4.350 -0.005 0.000 0.263 1227 E C 0.517 177.008 176.600 -0.181 0.000 1.192 1227 E CA 0.545 56.922 56.400 -0.038 0.000 1.016 1227 E CB 0.353 30.026 29.700 -0.046 0.000 0.980 1227 E HN 0.400 nan 8.360 nan 0.000 0.467 1228 K N 1.633 121.830 120.400 -0.338 0.000 2.244 1228 K HA 0.380 4.697 4.320 -0.005 0.000 0.260 1228 K C -0.884 175.551 176.600 -0.275 0.000 0.951 1228 K CA -0.368 55.565 56.287 -0.589 0.000 0.826 1228 K CB 0.809 32.887 32.500 -0.703 0.000 1.108 1228 K HN 0.371 nan 8.250 nan 0.000 0.433 1229 M N 2.238 121.713 119.600 -0.207 0.000 2.619 1229 M HA 0.297 4.775 4.480 -0.005 0.000 0.297 1229 M C -1.021 175.233 176.300 -0.077 0.000 1.229 1229 M CA -0.990 54.243 55.300 -0.111 0.000 0.860 1229 M CB 2.308 34.865 32.600 -0.071 0.000 1.741 1229 M HN 0.542 nan 8.290 nan 0.000 0.462 1230 Q N 2.591 122.355 119.800 -0.060 0.000 2.327 1230 Q HA 0.631 4.968 4.340 -0.005 0.000 0.270 1230 Q C -2.079 173.887 176.000 -0.057 0.000 1.022 1230 Q CA -0.309 55.465 55.803 -0.048 0.000 0.773 1230 Q CB 1.962 30.668 28.738 -0.054 0.000 1.251 1230 Q HN 0.748 nan 8.270 nan 0.000 0.457 1231 L N 1.720 122.917 121.223 -0.043 0.000 2.334 1231 L HA 0.860 5.197 4.340 -0.005 0.000 0.273 1231 L C -0.430 176.313 176.870 -0.212 0.000 1.013 1231 L CA -0.947 53.814 54.840 -0.132 0.000 0.816 1231 L CB 1.973 44.052 42.059 0.032 0.000 1.278 1231 L HN 0.624 nan 8.230 nan 0.000 0.431 1232 A N 2.455 124.994 122.820 -0.469 0.000 2.371 1232 A HA 0.855 5.172 4.320 -0.005 0.000 0.311 1232 A C -1.699 175.561 177.584 -0.541 0.000 1.068 1232 A CA -0.298 51.542 52.037 -0.329 0.000 0.744 1232 A CB 1.134 20.020 19.000 -0.190 0.000 1.239 1232 A HN 0.593 nan 8.150 nan 0.000 0.435 1233 Y N 0.318 120.631 120.300 0.021 0.000 2.670 1233 Y HA 0.433 4.980 4.550 -0.005 0.000 0.334 1233 Y C 0.011 175.926 175.900 0.024 0.000 1.185 1233 Y CA -0.932 57.184 58.100 0.026 0.000 1.053 1233 Y CB 1.667 40.147 38.460 0.033 0.000 1.298 1233 Y HN 0.748 nan 8.280 nan 0.000 0.459 1234 N N 0.255 119.080 118.700 0.207 0.000 2.476 1234 N HA 0.831 5.568 4.740 -0.005 0.000 0.276 1234 N C -1.316 174.258 175.510 0.108 0.000 1.204 1234 N CA -0.483 52.638 53.050 0.118 0.000 0.974 1234 N CB 1.510 40.049 38.487 0.086 0.000 1.204 1234 N HN 0.751 nan 8.380 nan 0.000 0.543 1235 A N 0.067 122.931 122.820 0.073 0.000 2.549 1235 A HA 0.721 5.039 4.320 -0.005 0.000 0.297 1235 A C -0.887 176.723 177.584 0.043 0.000 1.061 1235 A CA -0.666 51.407 52.037 0.059 0.000 0.690 1235 A CB 1.371 20.405 19.000 0.056 0.000 1.287 1235 A HN 0.544 nan 8.150 nan 0.000 0.402 1236 R N 0.171 120.694 120.500 0.038 0.000 2.854 1236 R HA 0.275 4.612 4.340 -0.005 0.000 0.271 1236 R C 0.633 176.945 176.300 0.020 0.000 0.996 1236 R CA -0.264 55.853 56.100 0.027 0.000 0.961 1236 R CB 1.550 31.870 30.300 0.033 0.000 1.182 1236 R HN 1.002 nan 8.270 nan 0.000 0.479 1237 N N -1.158 117.548 118.700 0.010 0.000 2.635 1237 N HA -0.131 4.607 4.740 -0.005 0.000 0.191 1237 N C 0.828 176.406 175.510 0.113 0.000 1.155 1237 N CA 1.123 54.195 53.050 0.038 0.000 0.927 1237 N CB 0.203 38.712 38.487 0.037 0.000 0.976 1237 N HN 0.299 nan 8.380 nan 0.000 0.448 1238 T N -0.855 113.717 114.554 0.030 0.000 3.044 1238 T HA 0.097 4.444 4.350 -0.005 0.000 0.250 1238 T C -0.077 174.649 174.700 0.043 0.000 1.081 1238 T CA 0.020 62.142 62.100 0.036 0.000 1.040 1238 T CB 0.055 68.757 68.868 -0.276 0.000 0.962 1238 T HN 0.329 nan 8.240 nan 0.000 0.506 1239 Q N 1.640 121.454 119.800 0.024 0.000 2.290 1239 Q HA 0.522 4.860 4.340 -0.005 0.000 0.259 1239 Q C -0.575 175.424 176.000 -0.002 0.000 0.941 1239 Q CA -0.304 55.509 55.803 0.016 0.000 0.912 1239 Q CB 1.767 30.527 28.738 0.037 0.000 1.244 1239 Q HN 0.206 nan 8.270 nan 0.000 0.441 1240 R N 1.025 121.527 120.500 0.005 0.000 2.778 1240 R HA 0.651 4.988 4.340 -0.005 0.000 0.277 1240 R C -0.184 176.208 176.300 0.153 0.000 0.977 1240 R CA -0.382 55.730 56.100 0.021 0.000 0.950 1240 R CB 1.644 31.897 30.300 -0.079 0.000 1.165 1240 R HN 0.822 nan 8.270 nan 0.000 0.474 1241 A N 1.648 124.540 122.820 0.120 0.000 2.832 1241 A HA -0.189 4.128 4.320 -0.005 0.000 0.280 1241 A C 0.297 177.929 177.584 0.079 0.000 1.464 1241 A CA 0.406 52.510 52.037 0.112 0.000 0.804 1241 A CB -2.018 17.081 19.000 0.165 0.000 1.020 1241 A HN 0.656 nan 8.150 nan 0.000 0.563 1242 I N -0.853 119.753 120.570 0.061 0.000 2.741 1242 I HA 0.264 4.431 4.170 -0.005 0.000 0.288 1242 I C 1.717 177.860 176.117 0.044 0.000 1.192 1242 I CA 1.762 63.089 61.300 0.045 0.000 1.426 1242 I CB 0.232 38.253 38.000 0.036 0.000 1.367 1242 I HN 1.178 nan 8.210 nan 0.000 0.563 1243 G N 3.969 112.795 108.800 0.044 0.000 2.345 1243 G HA2 -0.309 3.648 3.960 -0.005 0.000 0.218 1243 G HA3 -0.309 3.648 3.960 -0.005 0.000 0.218 1243 G C 0.925 175.863 174.900 0.063 0.000 1.058 1243 G CA 0.320 45.454 45.100 0.057 0.000 0.632 1243 G HN 0.504 nan 8.290 nan 0.000 0.508 1244 T N 0.696 115.284 114.554 0.058 0.000 2.684 1244 T HA -0.133 4.215 4.350 -0.005 0.000 0.267 1244 T C 2.184 176.915 174.700 0.052 0.000 1.036 1244 T CA 2.071 64.218 62.100 0.077 0.000 1.148 1244 T CB -0.163 68.758 68.868 0.088 0.000 0.863 1244 T HN 0.420 nan 8.240 nan 0.000 0.436 1245 R N 0.760 121.270 120.500 0.016 0.000 2.148 1245 R HA 0.139 4.476 4.340 -0.005 0.000 0.227 1245 R C 2.241 178.563 176.300 0.037 0.000 1.103 1245 R CA 0.766 56.865 56.100 -0.001 0.000 0.983 1245 R CB -0.812 29.470 30.300 -0.029 0.000 0.874 1245 R HN 0.403 nan 8.270 nan 0.000 0.451 1246 L N -0.557 120.711 121.223 0.074 0.000 1.970 1246 L HA -0.255 4.082 4.340 -0.005 0.000 0.212 1246 L C 2.139 179.101 176.870 0.153 0.000 1.071 1246 L CA 2.013 56.938 54.840 0.141 0.000 0.751 1246 L CB -0.618 41.524 42.059 0.138 0.000 0.889 1246 L HN 0.308 nan 8.230 nan 0.000 0.432 1247 S N -0.998 114.770 115.700 0.112 0.000 2.372 1247 S HA -0.280 4.187 4.470 -0.005 0.000 0.227 1247 S C 2.215 176.861 174.600 0.076 0.000 1.044 1247 S CA 1.879 60.138 58.200 0.098 0.000 1.050 1247 S CB -0.308 62.947 63.200 0.093 0.000 0.901 1247 S HN 0.582 nan 8.310 nan 0.000 0.447 1248 S N 0.531 116.257 115.700 0.042 0.000 2.365 1248 S HA -0.124 4.343 4.470 -0.005 0.000 0.225 1248 S C 2.001 176.604 174.600 0.006 0.000 1.039 1248 S CA 1.659 59.856 58.200 -0.004 0.000 1.033 1248 S CB -0.376 62.799 63.200 -0.041 0.000 0.887 1248 S HN 0.482 nan 8.310 nan 0.000 0.447 1249 M N 0.588 120.200 119.600 0.020 0.000 2.117 1249 M HA -0.063 4.414 4.480 -0.005 0.000 0.262 1249 M C 2.213 178.635 176.300 0.204 0.000 1.065 1249 M CA 1.114 56.408 55.300 -0.010 0.000 1.114 1249 M CB -1.310 31.196 32.600 -0.157 0.000 1.361 1249 M HN 0.241 nan 8.290 nan 0.000 0.408 1250 V N 0.401 120.517 119.914 0.337 0.000 2.244 1250 V HA -0.236 3.881 4.120 -0.005 0.000 0.244 1250 V C 2.499 178.763 176.094 0.283 0.000 1.042 1250 V CA 2.283 64.848 62.300 0.441 0.000 1.006 1250 V CB -1.099 30.913 31.823 0.314 0.000 0.641 1250 V HN 0.462 nan 8.190 nan 0.000 0.446 1251 T N -0.192 114.443 114.554 0.136 0.000 2.597 1251 T HA -0.319 4.028 4.350 -0.005 0.000 0.267 1251 T C 2.038 176.757 174.700 0.032 0.000 1.053 1251 T CA 2.239 64.374 62.100 0.059 0.000 1.165 1251 T CB -0.347 68.522 68.868 -0.000 0.000 0.863 1251 T HN 0.371 nan 8.240 nan 0.000 0.427 1252 R N 0.601 121.097 120.500 -0.007 0.000 2.139 1252 R HA -0.101 4.236 4.340 -0.005 0.000 0.243 1252 R C 2.368 178.614 176.300 -0.091 0.000 1.145 1252 R CA 1.592 57.658 56.100 -0.056 0.000 0.976 1252 R CB -0.107 30.142 30.300 -0.086 0.000 0.866 1252 R HN 0.333 nan 8.270 nan 0.000 0.449 1253 K N -1.133 119.183 120.400 -0.140 0.000 2.348 1253 K HA 0.064 4.381 4.320 -0.005 0.000 0.194 1253 K C 0.417 176.660 176.600 -0.596 0.000 1.052 1253 K CA 0.617 56.666 56.287 -0.397 0.000 1.004 1253 K CB 0.554 32.721 32.500 -0.555 0.000 0.873 1253 K HN 0.029 nan 8.250 nan 0.000 0.523 1254 F N -0.222 119.759 119.950 0.053 0.000 2.871 1254 F HA 0.408 4.932 4.527 -0.004 0.000 0.344 1254 F C 0.585 176.401 175.800 0.027 0.000 1.078 1254 F CA -0.077 57.940 58.000 0.027 0.000 1.149 1254 F CB 1.249 40.248 39.000 -0.003 0.000 1.087 1254 F HN 0.099 nan 8.300 nan 0.000 0.557 1255 G N 1.007 109.902 108.800 0.159 0.000 2.787 1255 G HA2 -0.259 3.699 3.960 -0.005 0.000 0.685 1255 G HA3 -0.259 3.699 3.960 -0.005 0.000 0.685 1255 G C 0.574 175.509 174.900 0.059 0.000 1.437 1255 G CA -0.206 44.959 45.100 0.109 0.000 0.872 1255 G HN 0.111 nan 8.290 nan 0.000 0.566 1256 M N -0.224 119.351 119.600 -0.042 0.000 2.267 1256 M HA 0.036 4.514 4.480 -0.005 0.000 0.263 1256 M C 1.577 177.539 176.300 -0.563 0.000 1.063 1256 M CA 1.931 57.015 55.300 -0.359 0.000 1.090 1256 M CB -0.161 32.070 32.600 -0.614 0.000 1.392 1256 M HN 0.408 nan 8.290 nan 0.000 0.422 1257 F N -1.364 118.634 119.950 0.080 0.000 2.698 1257 F HA 0.347 4.871 4.527 -0.004 0.000 0.304 1257 F C 1.887 177.708 175.800 0.036 0.000 1.108 1257 F CA -0.405 57.628 58.000 0.055 0.000 1.263 1257 F CB -0.328 38.704 39.000 0.053 0.000 1.013 1257 F HN 0.011 nan 8.300 nan 0.000 0.532 1258 G N 0.356 109.256 108.800 0.166 0.000 2.650 1258 G HA2 0.116 4.073 3.960 -0.005 0.000 0.214 1258 G HA3 0.116 4.073 3.960 -0.005 0.000 0.214 1258 G C 0.541 175.405 174.900 -0.060 0.000 1.136 1258 G CA 0.293 45.455 45.100 0.104 0.000 0.789 1258 G HN 0.169 nan 8.290 nan 0.000 0.536 1259 L N 0.814 121.953 121.223 -0.140 0.000 2.329 1259 L HA 0.337 4.674 4.340 -0.005 0.000 0.279 1259 L C -0.008 176.764 176.870 -0.163 0.000 1.014 1259 L CA -1.076 53.547 54.840 -0.362 0.000 0.814 1259 L CB 1.966 43.700 42.059 -0.542 0.000 1.257 1259 L HN 0.241 nan 8.230 nan 0.000 0.424 1260 Q N 2.107 121.822 119.800 -0.142 0.000 2.337 1260 Q HA 0.250 4.587 4.340 -0.005 0.000 0.270 1260 Q C -2.405 173.625 176.000 0.050 0.000 1.002 1260 Q CA -2.005 53.801 55.803 0.004 0.000 0.888 1260 Q CB -0.374 28.387 28.738 0.037 0.000 1.222 1260 Q HN 0.262 nan 8.270 nan 0.000 0.400 1261 P HA -0.168 nan 4.420 nan 0.000 0.260 1261 P C 0.626 177.972 177.300 0.077 0.000 1.147 1261 P CA 2.172 65.319 63.100 0.079 0.000 0.758 1261 P CB 0.037 31.791 31.700 0.090 0.000 0.744 1262 G N 2.287 111.131 108.800 0.074 0.000 2.157 1262 G HA2 -0.340 3.617 3.960 -0.005 0.000 0.248 1262 G HA3 -0.340 3.617 3.960 -0.005 0.000 0.248 1262 G C 0.970 175.900 174.900 0.050 0.000 0.979 1262 G CA 0.546 45.680 45.100 0.056 0.000 0.650 1262 G HN 0.637 nan 8.290 nan 0.000 0.529 1263 H N -0.424 118.614 119.070 -0.054 0.000 2.422 1263 H HA 0.169 4.722 4.556 -0.005 0.000 0.298 1263 H C 1.076 176.349 175.328 -0.092 0.000 1.098 1263 H CA 1.837 57.829 56.048 -0.092 0.000 1.315 1263 H CB 0.174 29.844 29.762 -0.152 0.000 1.382 1263 H HN 0.351 nan 8.280 nan 0.000 0.523 1264 I N 1.162 121.747 120.570 0.026 0.000 2.439 1264 I HA 0.202 4.369 4.170 -0.005 0.000 0.285 1264 I C -0.830 175.298 176.117 0.018 0.000 1.021 1264 I CA -0.027 61.268 61.300 -0.009 0.000 1.091 1264 I CB 1.497 39.498 38.000 0.003 0.000 1.242 1264 I HN -0.012 nan 8.210 nan 0.000 0.439 1265 T N 8.155 122.714 114.554 0.008 0.000 2.824 1265 T HA 0.624 4.971 4.350 -0.005 0.000 0.282 1265 T C -0.301 174.423 174.700 0.041 0.000 0.993 1265 T CA -0.269 61.847 62.100 0.027 0.000 0.967 1265 T CB 1.419 70.292 68.868 0.008 0.000 0.960 1265 T HN 0.329 nan 8.240 nan 0.000 0.441 1266 I N 4.093 124.705 120.570 0.071 0.000 2.420 1266 I HA 0.368 4.536 4.170 -0.005 0.000 0.282 1266 I C 0.312 176.484 176.117 0.092 0.000 1.019 1266 I CA -0.843 60.523 61.300 0.109 0.000 1.130 1266 I CB 0.990 39.097 38.000 0.180 0.000 1.262 1266 I HN 0.269 nan 8.210 nan 0.000 0.454 1267 R N 6.853 127.383 120.500 0.051 0.000 2.438 1267 R HA 0.582 4.919 4.340 -0.005 0.000 0.287 1267 R C -0.928 175.415 176.300 0.072 0.000 1.077 1267 R CA -0.450 55.675 56.100 0.042 0.000 1.034 1267 R CB 0.971 31.273 30.300 0.004 0.000 0.993 1267 R HN 0.526 nan 8.270 nan 0.000 0.459 1268 L N 3.364 124.632 121.223 0.075 0.000 2.406 1268 L HA 0.443 4.780 4.340 -0.005 0.000 0.270 1268 L C 0.347 177.254 176.870 0.061 0.000 0.982 1268 L CA -0.504 54.392 54.840 0.093 0.000 0.843 1268 L CB 2.019 44.136 42.059 0.097 0.000 1.225 1268 L HN 0.319 nan 8.230 nan 0.000 0.412 1269 R N 1.575 122.106 120.500 0.052 0.000 2.441 1269 R HA 0.702 5.039 4.340 -0.005 0.000 0.284 1269 R C 0.498 176.822 176.300 0.040 0.000 1.070 1269 R CA 0.762 56.884 56.100 0.037 0.000 1.047 1269 R CB 1.486 31.804 30.300 0.029 0.000 1.016 1269 R HN 0.908 nan 8.270 nan 0.000 0.477 1270 G N 0.867 109.684 108.800 0.029 0.000 2.253 1270 G HA2 -0.168 3.789 3.960 -0.005 0.000 0.190 1270 G HA3 -0.168 3.789 3.960 -0.005 0.000 0.190 1270 G C -1.083 173.828 174.900 0.019 0.000 1.274 1270 G CA -0.637 44.478 45.100 0.025 0.000 1.275 1270 G HN 0.543 nan 8.290 nan 0.000 0.518 1271 T N 0.826 115.391 114.554 0.018 0.000 2.921 1271 T HA 0.742 5.089 4.350 -0.005 0.000 0.297 1271 T C 0.060 174.768 174.700 0.013 0.000 1.013 1271 T CA 0.632 62.738 62.100 0.010 0.000 0.990 1271 T CB 1.487 70.356 68.868 0.002 0.000 1.023 1271 T HN 1.682 nan 8.240 nan 0.000 0.447 1272 A N 2.389 125.214 122.820 0.008 0.000 2.331 1272 A HA 0.781 5.098 4.320 -0.005 0.000 0.283 1272 A C 0.867 178.444 177.584 -0.012 0.000 1.142 1272 A CA -0.307 51.734 52.037 0.007 0.000 0.812 1272 A CB 0.324 19.331 19.000 0.011 0.000 1.074 1272 A HN 0.937 nan 8.150 nan 0.000 0.497 1273 G N 0.593 109.384 108.800 -0.015 0.000 2.535 1273 G HA2 0.435 4.392 3.960 -0.005 0.000 0.282 1273 G HA3 0.435 4.392 3.960 -0.005 0.000 0.282 1273 G C -0.101 174.755 174.900 -0.072 0.000 1.350 1273 G CA -0.577 44.491 45.100 -0.053 0.000 1.039 1273 G HN 0.786 nan 8.290 nan 0.000 0.509 1274 Q N -0.494 119.233 119.800 -0.121 0.000 2.386 1274 Q HA 0.127 4.465 4.340 -0.005 0.000 0.282 1274 Q C 0.452 176.476 176.000 0.040 0.000 1.050 1274 Q CA 0.904 56.663 55.803 -0.073 0.000 0.918 1274 Q CB 0.773 29.476 28.738 -0.060 0.000 1.266 1274 Q HN 0.625 nan 8.270 nan 0.000 0.423 1275 S N -0.346 115.426 115.700 0.120 0.000 3.812 1275 S HA -0.167 4.300 4.470 -0.005 0.000 0.341 1275 S C -0.037 174.581 174.600 0.030 0.000 1.057 1275 S CA 0.219 58.480 58.200 0.101 0.000 1.015 1275 S CB -1.413 61.838 63.200 0.084 0.000 0.893 1275 S HN 0.566 nan 8.310 nan 0.000 0.476 1276 L N 1.573 122.810 121.223 0.024 0.000 2.534 1276 L HA 0.530 4.867 4.340 -0.005 0.000 0.271 1276 L C 1.287 178.161 176.870 0.007 0.000 1.178 1276 L CA 1.946 56.797 54.840 0.018 0.000 0.907 1276 L CB -0.256 41.815 42.059 0.020 0.000 1.164 1276 L HN 0.863 nan 8.230 nan 0.000 0.482 1277 G N 3.185 111.991 108.800 0.010 0.000 2.184 1277 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.264 1277 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.264 1277 G C 0.621 175.493 174.900 -0.047 0.000 0.975 1277 G CA 0.382 45.485 45.100 0.004 0.000 0.642 1277 G HN 1.543 nan 8.290 nan 0.000 0.536 1278 A N -0.171 122.579 122.820 -0.116 0.000 2.581 1278 A HA 0.422 4.740 4.320 -0.005 0.000 0.257 1278 A C 1.135 178.578 177.584 -0.234 0.000 1.022 1278 A CA 1.419 53.242 52.037 -0.357 0.000 0.812 1278 A CB -0.699 18.059 19.000 -0.405 0.000 0.918 1278 A HN 1.594 nan 8.150 nan 0.000 0.516 1279 F N -1.378 118.569 119.950 -0.005 0.000 3.043 1279 F HA -0.216 4.308 4.527 -0.005 0.000 0.290 1279 F C 1.119 176.908 175.800 -0.019 0.000 0.844 1279 F CA 0.390 58.379 58.000 -0.019 0.000 1.184 1279 F CB -2.089 36.897 39.000 -0.023 0.000 1.246 1279 F HN 1.006 nan 8.300 nan 0.000 0.536 1280 A N 0.488 123.374 122.820 0.111 0.000 2.366 1280 A HA 0.650 4.968 4.320 -0.005 0.000 0.272 1280 A C 0.471 178.074 177.584 0.032 0.000 1.135 1280 A CA 0.088 52.167 52.037 0.070 0.000 0.804 1280 A CB 0.584 19.613 19.000 0.049 0.000 1.064 1280 A HN 0.890 nan 8.150 nan 0.000 0.499 1281 V N 1.062 120.974 119.914 -0.003 0.000 3.513 1281 V HA 0.455 4.572 4.120 -0.005 0.000 0.297 1281 V C 0.439 176.482 176.094 -0.085 0.000 1.058 1281 V CA -0.878 61.358 62.300 -0.106 0.000 1.003 1281 V CB 0.454 32.194 31.823 -0.138 0.000 1.236 1281 V HN 0.939 nan 8.190 nan 0.000 0.436 1282 Q N -0.426 119.276 119.800 -0.164 0.000 2.373 1282 Q HA 0.463 4.801 4.340 -0.005 0.000 0.255 1282 Q C 0.996 176.979 176.000 -0.027 0.000 0.980 1282 Q CA 0.898 56.671 55.803 -0.050 0.000 0.882 1282 Q CB 0.907 29.645 28.738 -0.001 0.000 1.249 1282 Q HN 1.509 nan 8.270 nan 0.000 0.438 1283 G N 3.029 111.836 108.800 0.011 0.000 2.339 1283 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.209 1283 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.209 1283 G C 0.059 174.983 174.900 0.039 0.000 1.015 1283 G CA -0.187 44.916 45.100 0.003 0.000 0.635 1283 G HN 0.574 nan 8.290 nan 0.000 0.499 1284 I N 1.532 122.125 120.570 0.038 0.000 2.396 1284 I HA 0.505 4.673 4.170 -0.005 0.000 0.292 1284 I C 0.182 176.336 176.117 0.061 0.000 0.999 1284 I CA -0.395 60.936 61.300 0.053 0.000 1.310 1284 I CB 1.670 39.703 38.000 0.056 0.000 1.404 1284 I HN 0.022 nan 8.210 nan 0.000 0.496 1285 K N 7.251 127.689 120.400 0.064 0.000 2.482 1285 K HA 0.599 4.916 4.320 -0.005 0.000 0.251 1285 K C -1.673 174.970 176.600 0.072 0.000 0.936 1285 K CA -0.655 55.675 56.287 0.072 0.000 0.791 1285 K CB 1.858 34.398 32.500 0.067 0.000 1.213 1285 K HN 0.511 nan 8.250 nan 0.000 0.428 1286 L N 4.132 125.401 121.223 0.077 0.000 2.316 1286 L HA 0.399 4.736 4.340 -0.005 0.000 0.280 1286 L C -0.460 176.455 176.870 0.075 0.000 1.006 1286 L CA -0.691 54.195 54.840 0.076 0.000 0.836 1286 L CB 1.653 43.755 42.059 0.072 0.000 1.221 1286 L HN 0.506 nan 8.230 nan 0.000 0.418 1287 E N 3.524 123.763 120.200 0.065 0.000 2.115 1287 E HA 0.335 4.682 4.350 -0.005 0.000 0.282 1287 E C -0.873 175.759 176.600 0.053 0.000 0.987 1287 E CA -0.569 55.865 56.400 0.056 0.000 0.797 1287 E CB 2.579 32.301 29.700 0.036 0.000 1.086 1287 E HN 0.215 nan 8.360 nan 0.000 0.397 1288 V N 4.942 124.888 119.914 0.052 0.000 2.333 1288 V HA 0.188 4.306 4.120 -0.005 0.000 0.274 1288 V C -0.196 175.919 176.094 0.034 0.000 1.028 1288 V CA -0.440 61.887 62.300 0.045 0.000 0.851 1288 V CB 1.021 32.870 31.823 0.044 0.000 1.000 1288 V HN 0.728 nan 8.190 nan 0.000 0.456 1289 M N 5.190 124.807 119.600 0.027 0.000 2.077 1289 M HA 0.629 5.106 4.480 -0.005 0.000 0.348 1289 M C 0.745 177.055 176.300 0.016 0.000 1.252 1289 M CA 0.939 56.250 55.300 0.017 0.000 1.096 1289 M CB 0.862 33.470 32.600 0.012 0.000 1.568 1289 M HN 0.923 nan 8.290 nan 0.000 0.456 1290 G N 2.944 111.751 108.800 0.012 0.000 1.695 1290 G HA2 -0.003 3.954 3.960 -0.005 0.000 0.089 1290 G HA3 -0.003 3.954 3.960 -0.005 0.000 0.089 1290 G C -1.243 173.660 174.900 0.004 0.000 1.061 1290 G CA 0.005 45.110 45.100 0.008 0.000 1.207 1290 G HN 0.796 nan 8.290 nan 0.000 0.389 1291 D N -0.818 119.585 120.400 0.004 0.000 2.769 1291 D HA 0.814 5.451 4.640 -0.005 0.000 0.309 1291 D C -0.433 175.864 176.300 -0.004 0.000 1.315 1291 D CA 0.722 54.721 54.000 -0.002 0.000 0.780 1291 D CB 0.823 41.614 40.800 -0.015 0.000 1.312 1291 D HN 1.892 nan 8.370 nan 0.000 0.437 1292 A N -0.434 122.378 122.820 -0.014 0.000 2.609 1292 A HA 0.660 4.978 4.320 -0.005 0.000 0.291 1292 A C -0.687 176.869 177.584 -0.046 0.000 1.096 1292 A CA -0.821 51.204 52.037 -0.021 0.000 0.684 1292 A CB 1.296 20.292 19.000 -0.006 0.000 1.282 1292 A HN 0.508 nan 8.150 nan 0.000 0.412 1293 N N -0.117 118.541 118.700 -0.069 0.000 2.605 1293 N HA 0.228 4.966 4.740 -0.005 0.000 0.277 1293 N C -0.902 174.492 175.510 -0.193 0.000 1.355 1293 N CA -0.149 52.828 53.050 -0.122 0.000 0.849 1293 N CB 0.086 38.495 38.487 -0.130 0.000 1.111 1293 N HN 0.729 nan 8.380 nan 0.000 0.441 1294 D N -0.432 119.749 120.400 -0.365 0.000 2.332 1294 D HA 0.252 4.889 4.640 -0.005 0.000 0.252 1294 D C -0.243 175.690 176.300 -0.612 0.000 1.050 1294 D CA -0.072 53.559 54.000 -0.614 0.000 0.970 1294 D CB 0.465 40.554 40.800 -1.185 0.000 1.141 1294 D HN 0.355 nan 8.370 nan 0.000 0.485 1295 Y N -2.342 117.941 120.300 -0.027 0.000 3.929 1295 Y HA -0.220 4.327 4.550 -0.005 0.000 0.225 1295 Y C 0.138 176.016 175.900 -0.038 0.000 1.200 1295 Y CA -0.311 57.768 58.100 -0.034 0.000 1.791 1295 Y CB -2.642 35.783 38.460 -0.058 0.000 1.561 1295 Y HN 0.040 nan 8.280 nan 0.000 0.657 1296 V N 0.020 119.980 119.914 0.077 0.000 2.694 1296 V HA 0.321 4.438 4.120 -0.005 0.000 0.306 1296 V C 1.619 177.740 176.094 0.046 0.000 1.054 1296 V CA 1.115 63.445 62.300 0.051 0.000 1.161 1296 V CB 0.763 32.617 31.823 0.052 0.000 0.916 1296 V HN 1.152 nan 8.190 nan 0.000 0.490 1297 G N 3.256 112.058 108.800 0.003 0.000 2.168 1297 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.257 1297 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.257 1297 G C 0.356 175.208 174.900 -0.080 0.000 0.997 1297 G CA 0.595 45.677 45.100 -0.029 0.000 0.708 1297 G HN 1.084 nan 8.290 nan 0.000 0.520 1298 K N 0.215 120.550 120.400 -0.108 0.000 2.504 1298 K HA 0.364 4.681 4.320 -0.005 0.000 0.278 1298 K C 1.559 177.909 176.600 -0.417 0.000 1.025 1298 K CA 0.999 57.174 56.287 -0.188 0.000 1.093 1298 K CB -0.264 32.104 32.500 -0.220 0.000 0.873 1298 K HN 1.608 nan 8.250 nan 0.000 0.483 1299 G N 3.316 111.962 108.800 -0.256 0.000 2.258 1299 G HA2 -0.289 3.668 3.960 -0.005 0.000 0.274 1299 G HA3 -0.289 3.668 3.960 -0.005 0.000 0.274 1299 G C -0.042 174.867 174.900 0.015 0.000 1.021 1299 G CA 0.175 45.220 45.100 -0.092 0.000 0.798 1299 G HN 0.637 nan 8.290 nan 0.000 0.507 1300 L N 0.750 121.949 121.223 -0.041 0.000 2.593 1300 L HA 0.416 4.753 4.340 -0.005 0.000 0.287 1300 L C 1.122 178.023 176.870 0.052 0.000 1.243 1300 L CA 1.474 56.316 54.840 0.004 0.000 0.890 1300 L CB 1.171 43.227 42.059 -0.005 0.000 1.134 1300 L HN 0.520 nan 8.230 nan 0.000 0.502 1301 S N 2.778 118.513 115.700 0.058 0.000 2.665 1301 S HA 0.542 5.009 4.470 -0.005 0.000 0.235 1301 S C 0.524 175.102 174.600 -0.037 0.000 1.084 1301 S CA 0.166 58.392 58.200 0.043 0.000 1.151 1301 S CB -0.621 62.617 63.200 0.064 0.000 1.151 1301 S HN 1.423 nan 8.310 nan 0.000 0.461 1302 G N 0.170 108.991 108.800 0.036 0.000 2.184 1302 G HA2 -0.083 3.875 3.960 -0.005 0.000 0.206 1302 G HA3 -0.083 3.875 3.960 -0.005 0.000 0.206 1302 G C 0.497 175.419 174.900 0.037 0.000 0.995 1302 G CA -0.160 44.971 45.100 0.052 0.000 0.651 1302 G HN 1.084 nan 8.290 nan 0.000 0.511 1303 G N -0.778 108.038 108.800 0.027 0.000 2.502 1303 G HA2 0.641 4.599 3.960 -0.005 0.000 0.305 1303 G HA3 0.641 4.599 3.960 -0.005 0.000 0.305 1303 G C -0.398 174.538 174.900 0.061 0.000 1.190 1303 G CA 0.416 45.540 45.100 0.040 0.000 0.933 1303 G HN 0.589 nan 8.290 nan 0.000 0.503 1304 T N 0.297 114.897 114.554 0.076 0.000 2.824 1304 T HA 0.565 4.913 4.350 -0.005 0.000 0.282 1304 T C -0.385 174.374 174.700 0.098 0.000 0.993 1304 T CA -0.050 62.109 62.100 0.098 0.000 0.967 1304 T CB 1.261 70.215 68.868 0.143 0.000 0.960 1304 T HN 0.329 nan 8.240 nan 0.000 0.441 1305 I N 2.448 123.076 120.570 0.096 0.000 2.545 1305 I HA 0.641 4.808 4.170 -0.005 0.000 0.292 1305 I C -0.839 175.365 176.117 0.145 0.000 1.040 1305 I CA -1.100 60.258 61.300 0.097 0.000 1.068 1305 I CB 2.182 40.220 38.000 0.065 0.000 1.251 1305 I HN 0.265 nan 8.210 nan 0.000 0.424 1306 V N 6.299 126.300 119.914 0.146 0.000 2.709 1306 V HA 0.563 4.680 4.120 -0.005 0.000 0.308 1306 V C -0.671 175.490 176.094 0.112 0.000 1.062 1306 V CA -0.675 61.730 62.300 0.175 0.000 0.901 1306 V CB 2.579 34.494 31.823 0.153 0.000 1.003 1306 V HN 0.408 nan 8.190 nan 0.000 0.425 1307 V N 5.388 125.368 119.914 0.110 0.000 2.612 1307 V HA 0.687 4.805 4.120 -0.005 0.000 0.301 1307 V C -0.437 175.691 176.094 0.057 0.000 1.059 1307 V CA -0.702 61.640 62.300 0.071 0.000 0.886 1307 V CB 1.954 33.818 31.823 0.067 0.000 1.007 1307 V HN 1.042 nan 8.190 nan 0.000 0.426 1308 R N 3.841 124.359 120.500 0.030 0.000 2.740 1308 R HA 0.773 5.111 4.340 -0.005 0.000 0.273 1308 R C -3.263 173.041 176.300 0.006 0.000 0.998 1308 R CA -2.004 54.103 56.100 0.013 0.000 0.900 1308 R CB 1.991 32.285 30.300 -0.011 0.000 1.223 1308 R HN 0.331 nan 8.270 nan 0.000 0.466 1309 P HA 0.047 nan 4.420 nan 0.000 0.272 1309 P C -0.496 176.803 177.300 -0.002 0.000 1.254 1309 P CA -0.138 62.962 63.100 -0.001 0.000 0.795 1309 P CB 0.398 32.096 31.700 -0.004 0.000 1.022 1310 T N -0.117 114.437 114.554 -0.001 0.000 2.913 1310 T HA 0.031 4.379 4.350 -0.005 0.000 0.297 1310 T C 1.549 176.247 174.700 -0.004 0.000 1.029 1310 T CA 0.153 62.252 62.100 -0.002 0.000 1.104 1310 T CB 0.175 69.043 68.868 0.000 0.000 0.964 1310 T HN 0.409 nan 8.240 nan 0.000 0.532 1311 T N 1.173 115.724 114.554 -0.005 0.000 2.977 1311 T HA -0.110 4.237 4.350 -0.005 0.000 0.271 1311 T C 1.792 176.490 174.700 -0.004 0.000 1.105 1311 T CA 1.482 63.578 62.100 -0.007 0.000 1.116 1311 T CB -0.365 68.497 68.868 -0.009 0.000 0.878 1311 T HN 0.676 nan 8.240 nan 0.000 0.509 1312 S N -0.425 115.273 115.700 -0.003 0.000 2.539 1312 S HA 0.309 4.776 4.470 -0.005 0.000 0.221 1312 S C 0.747 175.347 174.600 0.000 0.000 0.987 1312 S CA -0.182 58.017 58.200 -0.001 0.000 0.929 1312 S CB 0.116 63.315 63.200 -0.001 0.000 0.832 1312 S HN 0.336 nan 8.310 nan 0.000 0.492 1313 S N 3.190 118.890 115.700 -0.000 0.000 2.545 1313 S HA 0.394 4.862 4.470 -0.005 0.000 0.275 1313 S C -1.396 173.205 174.600 0.001 0.000 1.299 1313 S CA -1.138 57.062 58.200 0.000 0.000 1.048 1313 S CB 0.996 64.195 63.200 -0.001 0.000 0.938 1313 S HN 0.324 nan 8.310 nan 0.000 0.496 1314 P HA 0.185 nan 4.420 nan 0.000 0.257 1314 P C 0.002 177.303 177.300 0.001 0.000 1.281 1314 P CA -0.064 63.038 63.100 0.003 0.000 0.826 1314 P CB 0.086 31.789 31.700 0.005 0.000 1.237 1315 L N 0.586 121.807 121.223 -0.002 0.000 2.452 1315 L HA 0.151 4.488 4.340 -0.005 0.000 0.267 1315 L C 0.981 177.843 176.870 -0.013 0.000 1.188 1315 L CA -0.047 54.788 54.840 -0.008 0.000 0.821 1315 L CB 0.317 42.368 42.059 -0.013 0.000 1.102 1315 L HN -0.082 nan 8.230 nan 0.000 0.470 1316 E N 1.328 121.514 120.200 -0.024 0.000 1.996 1316 E HA 0.019 4.366 4.350 -0.005 0.000 0.280 1316 E C 0.748 177.307 176.600 -0.069 0.000 1.092 1316 E CA -0.168 56.208 56.400 -0.039 0.000 0.862 1316 E CB 1.068 30.739 29.700 -0.049 0.000 1.066 1316 E HN 0.614 nan 8.360 nan 0.000 0.396 1317 T N 3.645 118.169 114.554 -0.051 0.000 2.616 1317 T HA -0.315 4.033 4.350 -0.005 0.000 0.261 1317 T C 1.294 175.918 174.700 -0.127 0.000 1.105 1317 T CA 2.544 64.609 62.100 -0.057 0.000 1.159 1317 T CB -0.278 68.586 68.868 -0.006 0.000 0.856 1317 T HN 0.718 nan 8.240 nan 0.000 0.449 1318 N N -0.347 118.191 118.700 -0.269 0.000 2.383 1318 N HA 0.102 4.840 4.740 -0.005 0.000 0.192 1318 N C 1.026 176.369 175.510 -0.278 0.000 1.141 1318 N CA 0.078 52.902 53.050 -0.377 0.000 0.851 1318 N CB 0.150 38.090 38.487 -0.912 0.000 0.976 1318 N HN 0.309 nan 8.380 nan 0.000 0.465 1319 K N -0.411 119.877 120.400 -0.187 0.000 2.399 1319 K HA 0.217 4.534 4.320 -0.005 0.000 0.204 1319 K C -0.507 176.039 176.600 -0.091 0.000 1.023 1319 K CA -0.243 55.968 56.287 -0.127 0.000 1.127 1319 K CB 0.258 32.701 32.500 -0.095 0.000 0.856 1319 K HN 0.222 nan 8.250 nan 0.000 0.514 1320 N N 0.327 118.970 118.700 -0.095 0.000 2.357 1320 N HA 0.232 4.969 4.740 -0.005 0.000 0.284 1320 N C -0.821 174.632 175.510 -0.095 0.000 1.236 1320 N CA -0.470 52.529 53.050 -0.085 0.000 0.774 1320 N CB 2.040 40.488 38.487 -0.065 0.000 1.534 1320 N HN -0.214 nan 8.380 nan 0.000 0.478 1321 T N 0.853 115.339 114.554 -0.112 0.000 2.868 1321 T HA 0.361 4.708 4.350 -0.005 0.000 0.292 1321 T C 1.227 175.877 174.700 -0.084 0.000 1.028 1321 T CA -0.076 61.958 62.100 -0.110 0.000 1.059 1321 T CB 0.913 69.695 68.868 -0.143 0.000 0.991 1321 T HN 0.511 nan 8.240 nan 0.000 0.531 1322 I N 0.636 121.166 120.570 -0.066 0.000 5.157 1322 I HA 0.347 4.514 4.170 -0.005 0.000 0.350 1322 I C -0.629 175.469 176.117 -0.032 0.000 1.233 1322 I CA -0.071 61.204 61.300 -0.042 0.000 1.476 1322 I CB 0.538 38.525 38.000 -0.021 0.000 1.619 1322 I HN 0.606 nan 8.210 nan 0.000 0.557 1323 I N -2.388 118.161 120.570 -0.036 0.000 3.042 1323 I HA 0.739 4.906 4.170 -0.005 0.000 0.310 1323 I C 0.602 176.695 176.117 -0.039 0.000 1.117 1323 I CA -0.780 60.505 61.300 -0.025 0.000 1.003 1323 I CB 1.457 39.465 38.000 0.012 0.000 1.228 1323 I HN -0.096 nan 8.210 nan 0.000 0.443 1324 G N 2.253 111.022 108.800 -0.052 0.000 3.152 1324 G HA2 0.252 4.209 3.960 -0.005 0.000 0.157 1324 G HA3 0.252 4.209 3.960 -0.005 0.000 0.157 1324 G C -0.385 174.494 174.900 -0.035 0.000 1.786 1324 G CA -0.211 44.843 45.100 -0.077 0.000 1.055 1324 G HN 0.661 nan 8.290 nan 0.000 0.528 1325 N N -1.275 117.382 118.700 -0.071 0.000 2.292 1325 N HA 0.434 5.171 4.740 -0.005 0.000 0.303 1325 N C -0.265 175.285 175.510 0.066 0.000 1.140 1325 N CA -0.190 52.865 53.050 0.009 0.000 0.788 1325 N CB 1.496 39.985 38.487 0.003 0.000 1.361 1325 N HN 0.382 nan 8.380 nan 0.000 0.489 1326 T N -1.123 113.502 114.554 0.118 0.000 4.146 1326 T HA -0.138 4.209 4.350 -0.005 0.000 0.336 1326 T C 0.147 174.958 174.700 0.185 0.000 0.762 1326 T CA 0.435 62.606 62.100 0.119 0.000 1.914 1326 T CB -1.544 67.415 68.868 0.152 0.000 1.897 1326 T HN 0.331 nan 8.240 nan 0.000 0.862 1327 V N 1.248 121.265 119.914 0.171 0.000 2.763 1327 V HA 0.115 4.232 4.120 -0.005 0.000 0.306 1327 V C 1.689 177.836 176.094 0.088 0.000 1.059 1327 V CA 0.789 63.188 62.300 0.166 0.000 1.138 1327 V CB 0.690 32.674 31.823 0.268 0.000 0.940 1327 V HN 0.736 nan 8.190 nan 0.000 0.489 1328 L N 3.388 124.648 121.223 0.061 0.000 4.001 1328 L HA -0.219 4.118 4.340 -0.005 0.000 0.413 1328 L C 0.178 177.063 176.870 0.025 0.000 1.185 1328 L CA 0.082 54.920 54.840 -0.003 0.000 0.963 1328 L CB -1.345 40.664 42.059 -0.083 0.000 1.976 1328 L HN 0.772 nan 8.230 nan 0.000 0.939 1329 Y N 1.774 122.025 120.300 -0.082 0.000 2.754 1329 Y HA 0.373 4.920 4.550 -0.005 0.000 0.349 1329 Y C 1.316 177.159 175.900 -0.097 0.000 1.179 1329 Y CA 0.584 58.627 58.100 -0.094 0.000 1.538 1329 Y CB 0.140 38.549 38.460 -0.085 0.000 1.200 1329 Y HN 0.283 nan 8.280 nan 0.000 0.522 1330 G N 3.721 112.406 108.800 -0.192 0.000 2.157 1330 G HA2 -0.172 3.786 3.960 -0.005 0.000 0.248 1330 G HA3 -0.172 3.786 3.960 -0.005 0.000 0.248 1330 G C 0.461 175.251 174.900 -0.182 0.000 0.979 1330 G CA -0.005 44.900 45.100 -0.326 0.000 0.650 1330 G HN 1.275 nan 8.290 nan 0.000 0.529 1331 A N -0.235 122.518 122.820 -0.112 0.000 2.536 1331 A HA 0.579 4.896 4.320 -0.005 0.000 0.234 1331 A C 1.595 179.131 177.584 -0.080 0.000 1.076 1331 A CA 1.969 53.965 52.037 -0.069 0.000 0.769 1331 A CB 0.219 19.191 19.000 -0.048 0.000 1.020 1331 A HN 1.730 nan 8.150 nan 0.000 0.508 1332 T N -2.625 111.896 114.554 -0.055 0.000 2.969 1332 T HA 0.598 4.945 4.350 -0.005 0.000 0.258 1332 T C 0.171 174.923 174.700 0.086 0.000 0.962 1332 T CA 0.795 62.848 62.100 -0.079 0.000 0.903 1332 T CB -0.014 68.714 68.868 -0.233 0.000 1.177 1332 T HN 2.211 nan 8.240 nan 0.000 0.511 1333 A N -0.495 122.385 122.820 0.101 0.000 2.590 1333 A HA 0.791 5.109 4.320 -0.005 0.000 0.294 1333 A C 0.038 177.694 177.584 0.120 0.000 1.046 1333 A CA -0.164 51.971 52.037 0.163 0.000 0.684 1333 A CB 0.730 19.920 19.000 0.316 0.000 1.279 1333 A HN 1.663 nan 8.150 nan 0.000 0.415 1334 G N 0.137 109.010 108.800 0.122 0.000 2.423 1334 G HA2 0.380 4.338 3.960 -0.005 0.000 0.684 1334 G HA3 0.380 4.338 3.960 -0.005 0.000 0.684 1334 G C -1.106 173.817 174.900 0.039 0.000 1.309 1334 G CA -0.396 44.758 45.100 0.090 0.000 0.950 1334 G HN 0.853 nan 8.290 nan 0.000 0.587 1335 K N -0.990 119.417 120.400 0.012 0.000 2.156 1335 K HA 0.827 5.144 4.320 -0.005 0.000 0.250 1335 K C -0.705 175.782 176.600 -0.189 0.000 0.955 1335 K CA -0.822 55.390 56.287 -0.126 0.000 0.855 1335 K CB 2.066 34.553 32.500 -0.021 0.000 1.101 1335 K HN 0.835 nan 8.250 nan 0.000 0.434 1336 L N 2.167 123.151 121.223 -0.399 0.000 2.470 1336 L HA 0.560 4.898 4.340 -0.005 0.000 0.268 1336 L C -2.021 174.586 176.870 -0.437 0.000 0.964 1336 L CA -0.241 54.456 54.840 -0.239 0.000 0.839 1336 L CB 1.042 43.065 42.059 -0.059 0.000 1.276 1336 L HN 0.480 nan 8.230 nan 0.000 0.403 1337 F N 4.259 124.307 119.950 0.163 0.000 2.518 1337 F HA 0.840 5.364 4.527 -0.005 0.000 0.323 1337 F C 0.166 176.083 175.800 0.195 0.000 1.129 1337 F CA -0.418 57.719 58.000 0.230 0.000 0.920 1337 F CB 2.339 41.451 39.000 0.186 0.000 1.160 1337 F HN 0.652 nan 8.300 nan 0.000 0.440 1338 A N 2.077 125.152 122.820 0.425 0.000 2.411 1338 A HA 0.703 5.021 4.320 -0.005 0.000 0.285 1338 A C -0.187 177.580 177.584 0.305 0.000 1.129 1338 A CA -0.658 51.544 52.037 0.275 0.000 0.736 1338 A CB 0.722 19.817 19.000 0.158 0.000 1.186 1338 A HN 0.949 nan 8.150 nan 0.000 0.445 1339 A N 2.088 125.021 122.820 0.189 0.000 3.110 1339 A HA 0.518 4.836 4.320 -0.005 0.000 0.265 1339 A C 0.959 178.598 177.584 0.093 0.000 1.962 1339 A CA 0.961 53.093 52.037 0.159 0.000 1.493 1339 A CB -1.129 17.899 19.000 0.047 0.000 0.941 1339 A HN 2.270 nan 8.150 nan 0.000 0.610 1340 G N -0.666 108.180 108.800 0.076 0.000 2.320 1340 G HA2 0.407 4.364 3.960 -0.005 0.000 0.296 1340 G HA3 0.407 4.364 3.960 -0.005 0.000 0.296 1340 G C -1.192 173.678 174.900 -0.051 0.000 1.306 1340 G CA -0.925 44.168 45.100 -0.012 0.000 0.836 1340 G HN 0.410 nan 8.290 nan 0.000 0.517 1341 Q N -0.477 119.269 119.800 -0.091 0.000 2.306 1341 Q HA 0.637 4.974 4.340 -0.005 0.000 0.241 1341 Q C 0.260 176.182 176.000 -0.131 0.000 0.948 1341 Q CA -0.150 55.576 55.803 -0.129 0.000 0.886 1341 Q CB 1.794 30.457 28.738 -0.125 0.000 1.227 1341 Q HN 0.878 nan 8.270 nan 0.000 0.457 1342 A N 0.881 123.588 122.820 -0.188 0.000 2.282 1342 A HA 0.851 5.169 4.320 -0.005 0.000 0.324 1342 A C 0.054 177.582 177.584 -0.093 0.000 1.119 1342 A CA 0.050 52.001 52.037 -0.143 0.000 0.880 1342 A CB 1.120 19.979 19.000 -0.235 0.000 1.294 1342 A HN 0.775 nan 8.150 nan 0.000 0.493 1343 G N -0.946 107.839 108.800 -0.026 0.000 3.134 1343 G HA2 0.511 4.468 3.960 -0.005 0.000 0.158 1343 G HA3 0.511 4.468 3.960 -0.005 0.000 0.158 1343 G C -0.521 174.413 174.900 0.055 0.000 1.334 1343 G CA -0.283 44.815 45.100 -0.003 0.000 1.001 1343 G HN 0.655 nan 8.290 nan 0.000 0.600 1344 E N 0.048 120.294 120.200 0.076 0.000 2.404 1344 E HA 0.339 4.687 4.350 -0.005 0.000 0.261 1344 E C 0.247 176.934 176.600 0.145 0.000 1.074 1344 E CA 0.062 56.530 56.400 0.113 0.000 0.917 1344 E CB 0.299 30.069 29.700 0.117 0.000 0.965 1344 E HN 0.380 nan 8.360 nan 0.000 0.433 1345 R N 1.282 121.871 120.500 0.148 0.000 3.109 1345 R HA -0.250 4.087 4.340 -0.005 0.000 0.241 1345 R C -0.507 175.878 176.300 0.142 0.000 0.882 1345 R CA 0.143 56.312 56.100 0.114 0.000 0.604 1345 R CB -1.878 28.467 30.300 0.074 0.000 1.040 1345 R HN 0.341 nan 8.270 nan 0.000 0.480 1346 F N 0.776 120.747 119.950 0.036 0.000 2.456 1346 F HA 0.340 4.865 4.527 -0.005 0.000 0.358 1346 F C 1.230 177.053 175.800 0.038 0.000 1.095 1346 F CA 0.154 58.181 58.000 0.044 0.000 1.216 1346 F CB 0.783 39.822 39.000 0.064 0.000 1.125 1346 F HN 0.421 nan 8.300 nan 0.000 0.549 1347 A N 3.545 126.017 122.820 -0.579 0.000 3.172 1347 A HA -0.236 4.081 4.320 -0.005 0.000 0.263 1347 A C 0.462 177.900 177.584 -0.244 0.000 1.215 1347 A CA 0.639 52.305 52.037 -0.617 0.000 1.065 1347 A CB -2.682 15.710 19.000 -1.014 0.000 1.148 1347 A HN 1.549 nan 8.150 nan 0.000 0.904 1348 V N 0.898 120.736 119.914 -0.126 0.000 2.752 1348 V HA 0.207 4.325 4.120 -0.005 0.000 0.306 1348 V C 1.620 177.746 176.094 0.055 0.000 1.099 1348 V CA 1.681 63.951 62.300 -0.049 0.000 1.240 1348 V CB -0.316 31.414 31.823 -0.156 0.000 0.887 1348 V HN 0.879 nan 8.190 nan 0.000 0.499 1349 R N 2.203 122.756 120.500 0.088 0.000 3.847 1349 R HA -0.208 4.129 4.340 -0.005 0.000 0.304 1349 R C 0.508 176.806 176.300 -0.004 0.000 1.203 1349 R CA 0.931 57.070 56.100 0.064 0.000 0.835 1349 R CB -1.643 28.674 30.300 0.029 0.000 1.253 1349 R HN 0.961 nan 8.270 nan 0.000 0.516 1350 N N 0.755 119.432 118.700 -0.038 0.000 2.414 1350 N HA -0.038 4.699 4.740 -0.005 0.000 0.268 1350 N C -0.060 175.432 175.510 -0.028 0.000 1.286 1350 N CA 0.782 53.794 53.050 -0.063 0.000 0.896 1350 N CB 0.708 39.128 38.487 -0.111 0.000 1.093 1350 N HN 0.050 nan 8.380 nan 0.000 0.480 1351 S N 2.260 117.940 115.700 -0.033 0.000 2.552 1351 S HA 0.393 4.860 4.470 -0.005 0.000 0.246 1351 S C 0.761 175.386 174.600 0.042 0.000 1.019 1351 S CA 0.070 58.274 58.200 0.007 0.000 1.045 1351 S CB -0.121 63.074 63.200 -0.009 0.000 0.784 1351 S HN 0.845 nan 8.310 nan 0.000 0.453 1352 G N 0.461 109.282 108.800 0.035 0.000 2.665 1352 G HA2 0.203 4.160 3.960 -0.005 0.000 0.220 1352 G HA3 0.203 4.160 3.960 -0.005 0.000 0.220 1352 G C -0.118 174.820 174.900 0.063 0.000 1.002 1352 G CA -0.133 45.012 45.100 0.076 0.000 0.893 1352 G HN 0.609 nan 8.290 nan 0.000 0.586 1353 A N -0.121 122.714 122.820 0.024 0.000 2.299 1353 A HA 0.940 5.257 4.320 -0.005 0.000 0.332 1353 A C 0.128 177.718 177.584 0.009 0.000 1.131 1353 A CA -0.180 51.867 52.037 0.015 0.000 0.844 1353 A CB 1.328 20.317 19.000 -0.018 0.000 1.251 1353 A HN 0.510 nan 8.150 nan 0.000 0.486 1354 T N 0.674 115.225 114.554 -0.004 0.000 2.829 1354 T HA 0.623 4.970 4.350 -0.005 0.000 0.280 1354 T C -0.706 173.941 174.700 -0.089 0.000 0.999 1354 T CA -0.297 61.804 62.100 0.001 0.000 0.983 1354 T CB 1.160 70.042 68.868 0.023 0.000 0.968 1354 T HN 0.807 nan 8.240 nan 0.000 0.446 1355 V N 1.821 121.713 119.914 -0.036 0.000 3.012 1355 V HA 0.727 4.844 4.120 -0.005 0.000 0.307 1355 V C -0.856 175.278 176.094 0.067 0.000 1.166 1355 V CA -0.967 61.297 62.300 -0.060 0.000 0.974 1355 V CB 2.084 33.989 31.823 0.137 0.000 1.040 1355 V HN 0.683 nan 8.190 nan 0.000 0.428 1356 V N 2.769 122.717 119.914 0.056 0.000 2.656 1356 V HA 0.856 4.973 4.120 -0.005 0.000 0.307 1356 V C -0.610 175.540 176.094 0.092 0.000 1.051 1356 V CA -0.527 61.838 62.300 0.107 0.000 0.893 1356 V CB 2.078 33.987 31.823 0.142 0.000 0.999 1356 V HN 0.716 nan 8.190 nan 0.000 0.426 1357 V N 2.720 122.632 119.914 -0.003 0.000 3.178 1357 V HA 0.409 4.526 4.120 -0.005 0.000 0.302 1357 V C -0.100 175.964 176.094 -0.051 0.000 1.262 1357 V CA -0.550 61.736 62.300 -0.024 0.000 1.030 1357 V CB 2.763 34.456 31.823 -0.216 0.000 1.074 1357 V HN 0.982 nan 8.190 nan 0.000 0.438 1358 E N 2.010 122.197 120.200 -0.021 0.000 2.437 1358 E HA 0.513 4.860 4.350 -0.005 0.000 0.195 1358 E C 0.408 176.962 176.600 -0.077 0.000 1.029 1358 E CA 0.485 56.885 56.400 0.001 0.000 0.948 1358 E CB 1.044 30.770 29.700 0.043 0.000 1.082 1358 E HN 0.870 nan 8.360 nan 0.000 0.456 1359 G N 0.815 109.536 108.800 -0.131 0.000 2.341 1359 G HA2 0.284 4.241 3.960 -0.005 0.000 0.293 1359 G HA3 0.284 4.241 3.960 -0.005 0.000 0.293 1359 G C -1.580 173.182 174.900 -0.229 0.000 1.298 1359 G CA -0.342 44.666 45.100 -0.153 0.000 0.868 1359 G HN 0.341 nan 8.290 nan 0.000 0.540 1360 C N -0.763 118.421 119.300 -0.193 0.000 3.249 1360 C HA 0.826 5.283 4.460 -0.005 0.000 0.358 1360 C C 1.029 175.966 174.990 -0.089 0.000 1.187 1360 C CA 0.555 59.457 59.018 -0.194 0.000 1.170 1360 C CB 1.033 28.604 27.740 -0.282 0.000 1.478 1360 C HN 2.496 nan 8.230 nan 0.000 0.508 1361 G N 2.111 110.891 108.800 -0.034 0.000 2.418 1361 G HA2 0.480 4.438 3.960 -0.005 0.000 0.276 1361 G HA3 0.480 4.438 3.960 -0.005 0.000 0.276 1361 G C 0.464 175.393 174.900 0.047 0.000 1.442 1361 G CA 0.511 45.616 45.100 0.008 0.000 1.066 1361 G HN 2.188 nan 8.290 nan 0.000 0.553 1362 S N -2.107 113.635 115.700 0.070 0.000 2.686 1362 S HA 0.216 4.683 4.470 -0.005 0.000 0.270 1362 S C 0.542 175.215 174.600 0.123 0.000 1.194 1362 S CA 0.301 58.559 58.200 0.097 0.000 0.990 1362 S CB 0.474 63.730 63.200 0.093 0.000 1.029 1362 S HN 0.789 nan 8.310 nan 0.000 0.560 1363 N N -0.189 118.581 118.700 0.115 0.000 2.727 1363 N HA -0.128 4.609 4.740 -0.005 0.000 0.249 1363 N C 0.269 175.822 175.510 0.071 0.000 1.048 1363 N CA 0.140 53.234 53.050 0.073 0.000 0.714 1363 N CB -1.490 37.038 38.487 0.068 0.000 0.959 1363 N HN 0.913 nan 8.380 nan 0.000 0.544 1364 G N -0.982 107.911 108.800 0.155 0.000 2.503 1364 G HA2 0.317 4.274 3.960 -0.005 0.000 0.257 1364 G HA3 0.317 4.274 3.960 -0.005 0.000 0.257 1364 G C 0.975 175.767 174.900 -0.179 0.000 1.214 1364 G CA 0.273 45.488 45.100 0.191 0.000 0.839 1364 G HN 0.623 nan 8.290 nan 0.000 0.559 1365 C N -0.202 119.011 119.300 -0.145 0.000 4.167 1365 C HA -0.154 4.303 4.460 -0.005 0.000 0.293 1365 C C 1.157 175.980 174.990 -0.277 0.000 1.489 1365 C CA 1.008 59.852 59.018 -0.290 0.000 2.041 1365 C CB -2.611 24.857 27.740 -0.452 0.000 1.287 1365 C HN 0.956 nan 8.230 nan 0.000 0.791 1366 E N -0.348 119.719 120.200 -0.222 0.000 2.392 1366 E HA 0.264 4.611 4.350 -0.005 0.000 0.264 1366 E C 0.532 177.075 176.600 -0.094 0.000 1.024 1366 E CA -0.324 55.912 56.400 -0.272 0.000 0.903 1366 E CB 0.224 29.735 29.700 -0.314 0.000 0.963 1366 E HN 0.566 nan 8.360 nan 0.000 0.432 1367 Y N 0.495 120.739 120.300 -0.093 0.000 3.617 1367 Y HA -0.312 4.235 4.550 -0.004 0.000 0.215 1367 Y C 0.458 176.330 175.900 -0.046 0.000 1.178 1367 Y CA 0.623 58.694 58.100 -0.047 0.000 1.517 1367 Y CB -1.949 36.500 38.460 -0.018 0.000 1.457 1367 Y HN 0.587 nan 8.280 nan 0.000 0.615 1368 M N 0.039 119.659 119.600 0.034 0.000 2.233 1368 M HA 0.217 4.695 4.480 -0.005 0.000 0.350 1368 M C 0.758 177.075 176.300 0.029 0.000 1.176 1368 M CA 0.810 56.113 55.300 0.005 0.000 1.150 1368 M CB 0.888 33.446 32.600 -0.070 0.000 1.530 1368 M HN 0.212 nan 8.290 nan 0.000 0.459 1369 T N 2.886 117.465 114.554 0.042 0.000 3.275 1369 T HA 0.476 4.823 4.350 -0.005 0.000 0.298 1369 T C -0.353 174.374 174.700 0.045 0.000 0.988 1369 T CA 0.166 62.296 62.100 0.050 0.000 0.936 1369 T CB 0.294 69.215 68.868 0.088 0.000 1.159 1369 T HN 0.959 nan 8.240 nan 0.000 0.519 1370 G N -0.631 108.188 108.800 0.033 0.000 2.328 1370 G HA2 0.524 4.481 3.960 -0.005 0.000 0.299 1370 G HA3 0.524 4.481 3.960 -0.005 0.000 0.299 1370 G C -0.299 174.622 174.900 0.036 0.000 1.435 1370 G CA 0.198 45.324 45.100 0.043 0.000 0.865 1370 G HN 0.678 nan 8.290 nan 0.000 0.601 1371 G N -1.626 107.205 108.800 0.051 0.000 2.685 1371 G HA2 0.490 4.447 3.960 -0.005 0.000 0.387 1371 G HA3 0.490 4.447 3.960 -0.005 0.000 0.387 1371 G C -0.317 174.619 174.900 0.060 0.000 1.324 1371 G CA 0.448 45.579 45.100 0.052 0.000 0.878 1371 G HN 1.923 nan 8.290 nan 0.000 0.527 1372 T N -0.261 114.342 114.554 0.081 0.000 2.900 1372 T HA 0.854 5.202 4.350 -0.005 0.000 0.295 1372 T C -0.057 174.726 174.700 0.137 0.000 1.044 1372 T CA 0.342 62.522 62.100 0.133 0.000 0.995 1372 T CB 2.028 71.007 68.868 0.185 0.000 1.072 1372 T HN 2.135 nan 8.240 nan 0.000 0.473 1373 A N 2.258 125.197 122.820 0.198 0.000 2.522 1373 A HA 0.672 4.989 4.320 -0.005 0.000 0.285 1373 A C -0.364 177.438 177.584 0.363 0.000 1.198 1373 A CA -0.609 51.579 52.037 0.252 0.000 0.742 1373 A CB 0.433 19.568 19.000 0.225 0.000 1.176 1373 A HN 0.683 nan 8.150 nan 0.000 0.444 1374 V N 2.642 122.767 119.914 0.352 0.000 2.785 1374 V HA 0.480 4.598 4.120 -0.005 0.000 0.300 1374 V C 0.138 176.418 176.094 0.311 0.000 1.062 1374 V CA -0.181 62.349 62.300 0.382 0.000 1.029 1374 V CB 1.312 33.303 31.823 0.279 0.000 1.024 1374 V HN 0.690 nan 8.190 nan 0.000 0.477 1375 I N 4.136 124.891 120.570 0.309 0.000 2.560 1375 I HA 0.240 4.407 4.170 -0.005 0.000 0.278 1375 I C 0.129 176.337 176.117 0.151 0.000 1.089 1375 I CA -0.329 61.077 61.300 0.176 0.000 1.086 1375 I CB 1.691 39.777 38.000 0.145 0.000 1.202 1375 I HN 0.472 nan 8.210 nan 0.000 0.471 1376 L N 5.898 127.190 121.223 0.116 0.000 3.062 1376 L HA 0.220 4.557 4.340 -0.005 0.000 0.264 1376 L C 0.896 177.892 176.870 0.210 0.000 1.242 1376 L CA 0.133 55.068 54.840 0.159 0.000 1.072 1376 L CB -1.169 41.029 42.059 0.232 0.000 1.420 1376 L HN 0.840 nan 8.230 nan 0.000 0.412 1377 G N -0.766 108.112 108.800 0.130 0.000 2.323 1377 G HA2 0.181 4.139 3.960 -0.005 0.000 0.291 1377 G HA3 0.181 4.139 3.960 -0.005 0.000 0.291 1377 G C -1.220 173.661 174.900 -0.033 0.000 1.278 1377 G CA -1.055 44.103 45.100 0.097 0.000 0.860 1377 G HN 0.068 nan 8.290 nan 0.000 0.504 1378 R N -1.032 119.420 120.500 -0.081 0.000 2.697 1378 R HA 0.420 4.757 4.340 -0.005 0.000 0.265 1378 R C -0.334 175.817 176.300 -0.248 0.000 1.009 1378 R CA 0.401 56.394 56.100 -0.178 0.000 1.099 1378 R CB 0.389 30.582 30.300 -0.177 0.000 0.965 1378 R HN 0.476 nan 8.270 nan 0.000 0.428 1379 V N 2.914 122.601 119.914 -0.379 0.000 2.823 1379 V HA 0.646 4.763 4.120 -0.005 0.000 0.312 1379 V C 0.467 176.281 176.094 -0.466 0.000 1.072 1379 V CA -0.163 61.915 62.300 -0.370 0.000 0.937 1379 V CB 2.151 33.650 31.823 -0.539 0.000 1.013 1379 V HN 0.986 nan 8.190 nan 0.000 0.430 1380 G N 1.465 110.123 108.800 -0.236 0.000 2.531 1380 G HA2 0.468 4.425 3.960 -0.005 0.000 0.313 1380 G HA3 0.468 4.425 3.960 -0.005 0.000 0.313 1380 G C -0.652 174.280 174.900 0.053 0.000 1.238 1380 G CA -0.552 44.422 45.100 -0.210 0.000 0.994 1380 G HN 0.688 nan 8.290 nan 0.000 0.493 1381 D N -0.476 120.069 120.400 0.241 0.000 2.631 1381 D HA -0.112 4.525 4.640 -0.005 0.000 0.225 1381 D C 1.132 177.541 176.300 0.181 0.000 1.189 1381 D CA 1.477 55.642 54.000 0.275 0.000 0.871 1381 D CB 0.172 41.084 40.800 0.187 0.000 1.224 1381 D HN 0.597 nan 8.370 nan 0.000 0.510 1382 N N 0.774 119.559 118.700 0.142 0.000 2.727 1382 N HA -0.262 4.476 4.740 -0.005 0.000 0.249 1382 N C -0.773 174.795 175.510 0.097 0.000 1.048 1382 N CA -0.292 52.806 53.050 0.080 0.000 0.714 1382 N CB -0.819 37.692 38.487 0.040 0.000 0.959 1382 N HN 0.286 nan 8.380 nan 0.000 0.544 1383 F N 0.781 120.724 119.950 -0.012 0.000 2.471 1383 F HA 0.379 4.903 4.527 -0.005 0.000 0.353 1383 F C 1.392 177.162 175.800 -0.050 0.000 1.113 1383 F CA 0.948 58.934 58.000 -0.025 0.000 1.262 1383 F CB 0.777 39.755 39.000 -0.036 0.000 1.146 1383 F HN 0.303 nan 8.300 nan 0.000 0.578 1384 A N 3.087 125.427 122.820 -0.801 0.000 3.601 1384 A HA -0.186 4.131 4.320 -0.005 0.000 0.266 1384 A C 0.902 178.301 177.584 -0.310 0.000 1.077 1384 A CA 0.675 52.342 52.037 -0.616 0.000 1.228 1384 A CB -2.672 16.034 19.000 -0.489 0.000 1.099 1384 A HN 2.133 nan 8.150 nan 0.000 0.916 1385 A N -0.216 122.460 122.820 -0.241 0.000 2.558 1385 A HA 0.511 4.829 4.320 -0.005 0.000 0.262 1385 A C 2.318 179.721 177.584 -0.301 0.000 1.049 1385 A CA 1.835 53.740 52.037 -0.221 0.000 0.804 1385 A CB -1.100 17.775 19.000 -0.208 0.000 0.957 1385 A HN 2.699 nan 8.150 nan 0.000 0.520 1386 G N 1.761 110.435 108.800 -0.211 0.000 2.157 1386 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.248 1386 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.248 1386 G C 0.355 175.183 174.900 -0.119 0.000 0.979 1386 G CA 0.300 45.285 45.100 -0.191 0.000 0.650 1386 G HN 1.304 nan 8.290 nan 0.000 0.529 1387 M N 2.129 121.645 119.600 -0.139 0.000 2.455 1387 M HA 0.374 4.852 4.480 -0.005 0.000 0.331 1387 M C 1.111 177.380 176.300 -0.052 0.000 1.481 1387 M CA 0.581 55.820 55.300 -0.102 0.000 1.362 1387 M CB 0.180 32.682 32.600 -0.162 0.000 1.564 1387 M HN -0.003 nan 8.290 nan 0.000 0.458 1388 T N 3.083 117.629 114.554 -0.014 0.000 3.169 1388 T HA 0.312 4.659 4.350 -0.005 0.000 0.250 1388 T C 0.215 174.913 174.700 -0.003 0.000 1.111 1388 T CA 0.634 62.733 62.100 -0.002 0.000 1.010 1388 T CB -0.156 68.722 68.868 0.018 0.000 0.984 1388 T HN 0.907 nan 8.240 nan 0.000 0.537 1389 G N -0.614 108.181 108.800 -0.009 0.000 1.875 1389 G HA2 0.484 4.441 3.960 -0.005 0.000 0.218 1389 G HA3 0.484 4.441 3.960 -0.005 0.000 0.218 1389 G C -0.373 174.525 174.900 -0.002 0.000 1.648 1389 G CA -0.177 44.920 45.100 -0.005 0.000 0.941 1389 G HN 0.470 nan 8.290 nan 0.000 0.689 1390 G N 0.359 109.152 108.800 -0.011 0.000 2.399 1390 G HA2 0.692 4.650 3.960 -0.005 0.000 0.256 1390 G HA3 0.692 4.650 3.960 -0.005 0.000 0.256 1390 G C -1.257 173.627 174.900 -0.026 0.000 1.236 1390 G CA 0.171 45.271 45.100 0.000 0.000 0.914 1390 G HN 1.415 nan 8.290 nan 0.000 0.482 1391 M N -0.238 119.347 119.600 -0.025 0.000 2.569 1391 M HA 0.738 5.215 4.480 -0.005 0.000 0.279 1391 M C -1.700 174.552 176.300 -0.079 0.000 1.253 1391 M CA -0.724 54.513 55.300 -0.106 0.000 0.867 1391 M CB 2.234 34.725 32.600 -0.183 0.000 1.727 1391 M HN 1.709 nan 8.290 nan 0.000 0.467 1392 A N 2.349 125.079 122.820 -0.149 0.000 2.398 1392 A HA 0.759 5.077 4.320 -0.005 0.000 0.301 1392 A C -2.268 175.278 177.584 -0.063 0.000 1.041 1392 A CA -0.407 51.652 52.037 0.037 0.000 0.711 1392 A CB 0.953 20.091 19.000 0.230 0.000 1.240 1392 A HN 0.766 nan 8.150 nan 0.000 0.420 1393 Y N 0.302 120.768 120.300 0.277 0.000 2.496 1393 Y HA 0.678 5.225 4.550 -0.005 0.000 0.331 1393 Y C 0.208 176.348 175.900 0.400 0.000 1.140 1393 Y CA -0.953 57.352 58.100 0.343 0.000 1.166 1393 Y CB 2.146 40.787 38.460 0.303 0.000 1.249 1393 Y HN 0.366 nan 8.280 nan 0.000 0.479 1394 V N 2.109 122.388 119.914 0.608 0.000 2.674 1394 V HA 0.049 4.167 4.120 -0.005 0.000 0.279 1394 V C -1.474 174.751 176.094 0.219 0.000 1.051 1394 V CA -1.007 61.496 62.300 0.339 0.000 0.912 1394 V CB 0.758 32.658 31.823 0.128 0.000 1.044 1394 V HN 0.649 nan 8.190 nan 0.000 0.464 1395 Y N 4.268 124.416 120.300 -0.253 0.000 2.677 1395 Y HA 0.285 4.832 4.550 -0.005 0.000 0.335 1395 Y C 0.407 176.131 175.900 -0.293 0.000 1.162 1395 Y CA 0.601 58.238 58.100 -0.773 0.000 1.483 1395 Y CB 0.546 38.509 38.460 -0.828 0.000 1.209 1395 Y HN 0.726 nan 8.280 nan 0.000 0.528 1396 D N 6.861 126.947 120.400 -0.523 0.000 2.412 1396 D HA 0.093 4.731 4.640 -0.005 0.000 0.276 1396 D C 0.576 176.668 176.300 -0.347 0.000 1.196 1396 D CA -0.221 53.630 54.000 -0.249 0.000 0.905 1396 D CB 0.119 40.993 40.800 0.123 0.000 1.081 1396 D HN 0.753 nan 8.370 nan 0.000 0.502 1397 L N 1.008 121.987 121.223 -0.407 0.000 2.450 1397 L HA -0.125 4.213 4.340 -0.005 0.000 0.225 1397 L C 0.300 177.099 176.870 -0.118 0.000 1.145 1397 L CA 1.247 55.924 54.840 -0.271 0.000 0.801 1397 L CB 0.009 41.999 42.059 -0.114 0.000 0.924 1397 L HN 0.355 nan 8.230 nan 0.000 0.447 1398 D N -1.922 118.446 120.400 -0.053 0.000 2.540 1398 D HA 0.048 4.685 4.640 -0.005 0.000 0.229 1398 D C -0.306 176.025 176.300 0.052 0.000 1.250 1398 D CA -0.118 53.882 54.000 0.001 0.000 0.817 1398 D CB 0.400 41.212 40.800 0.022 0.000 1.060 1398 D HN 0.023 nan 8.370 nan 0.000 0.508 1399 D N 1.126 121.584 120.400 0.097 0.000 2.812 1399 D HA -0.127 4.510 4.640 -0.005 0.000 0.237 1399 D C 0.657 177.064 176.300 0.179 0.000 1.162 1399 D CA 0.992 55.128 54.000 0.228 0.000 0.740 1399 D CB -1.607 39.297 40.800 0.174 0.000 1.000 1399 D HN 0.317 nan 8.370 nan 0.000 0.416 1400 S N -1.604 114.189 115.700 0.156 0.000 2.604 1400 S HA 0.037 4.504 4.470 -0.005 0.000 0.235 1400 S C 1.626 176.286 174.600 0.100 0.000 1.043 1400 S CA -0.399 57.877 58.200 0.127 0.000 0.997 1400 S CB 0.552 63.869 63.200 0.195 0.000 0.956 1400 S HN 0.218 nan 8.310 nan 0.000 0.535 1401 L N 3.619 124.848 121.223 0.010 0.000 2.051 1401 L HA 0.034 4.372 4.340 -0.005 0.000 0.214 1401 L C -1.338 175.294 176.870 -0.396 0.000 1.076 1401 L CA 1.826 56.521 54.840 -0.241 0.000 0.758 1401 L CB -2.029 39.715 42.059 -0.524 0.000 0.890 1401 L HN 0.086 nan 8.230 nan 0.000 0.433 1402 P HA -0.184 nan 4.420 nan 0.000 0.217 1402 P C 1.866 179.046 177.300 -0.201 0.000 1.148 1402 P CA 1.581 64.485 63.100 -0.326 0.000 0.834 1402 P CB -0.066 31.596 31.700 -0.064 0.000 0.783 1403 L N -4.367 116.739 121.223 -0.194 0.000 2.509 1403 L HA 0.026 4.363 4.340 -0.005 0.000 0.222 1403 L C 1.469 178.078 176.870 -0.435 0.000 1.123 1403 L CA 0.677 55.334 54.840 -0.306 0.000 0.856 1403 L CB -0.406 41.400 42.059 -0.423 0.000 0.985 1403 L HN -0.014 nan 8.230 nan 0.000 0.456 1404 Y N -0.649 119.564 120.300 -0.145 0.000 2.442 1404 Y HA 0.291 4.838 4.550 -0.005 0.000 0.250 1404 Y C 0.925 176.775 175.900 -0.084 0.000 1.113 1404 Y CA -0.568 57.469 58.100 -0.104 0.000 1.273 1404 Y CB 0.692 39.081 38.460 -0.118 0.000 1.138 1404 Y HN -0.004 nan 8.280 nan 0.000 0.522 1405 I N 0.566 121.115 120.570 -0.035 0.000 2.677 1405 I HA 0.172 4.339 4.170 -0.005 0.000 0.305 1405 I C 0.009 176.119 176.117 -0.012 0.000 0.988 1405 I CA -0.564 60.723 61.300 -0.021 0.000 1.260 1405 I CB 0.969 38.830 38.000 -0.232 0.000 1.410 1405 I HN -0.036 nan 8.210 nan 0.000 0.523 1406 N N 4.344 123.051 118.700 0.013 0.000 3.044 1406 N HA 0.109 4.846 4.740 -0.005 0.000 0.254 1406 N C 0.374 175.884 175.510 0.001 0.000 1.253 1406 N CA -0.268 52.778 53.050 -0.006 0.000 0.944 1406 N CB 0.200 38.670 38.487 -0.028 0.000 1.217 1406 N HN 0.550 nan 8.380 nan 0.000 0.498 1407 D N 1.160 121.580 120.400 0.033 0.000 2.558 1407 D HA -0.305 4.333 4.640 -0.005 0.000 0.190 1407 D C 1.254 177.575 176.300 0.035 0.000 1.047 1407 D CA 1.372 55.411 54.000 0.065 0.000 0.880 1407 D CB 0.077 40.910 40.800 0.056 0.000 0.926 1407 D HN 0.652 nan 8.370 nan 0.000 0.465 1408 E N -0.314 119.893 120.200 0.012 0.000 2.301 1408 E HA -0.291 4.056 4.350 -0.005 0.000 0.224 1408 E C 1.014 177.616 176.600 0.003 0.000 1.092 1408 E CA 1.918 58.320 56.400 0.003 0.000 0.913 1408 E CB -0.116 29.578 29.700 -0.010 0.000 0.776 1408 E HN 0.342 nan 8.360 nan 0.000 0.465 1409 S N -0.855 114.842 115.700 -0.004 0.000 2.902 1409 S HA 0.415 4.882 4.470 -0.005 0.000 0.250 1409 S C -0.436 174.165 174.600 0.002 0.000 1.046 1409 S CA -0.498 57.699 58.200 -0.005 0.000 1.069 1409 S CB 0.950 64.137 63.200 -0.022 0.000 0.967 1409 S HN 0.042 nan 8.310 nan 0.000 0.530 1410 V N 1.459 121.388 119.914 0.026 0.000 3.282 1410 V HA 0.672 4.789 4.120 -0.005 0.000 0.295 1410 V C -1.660 174.489 176.094 0.092 0.000 1.451 1410 V CA -0.854 61.469 62.300 0.040 0.000 1.062 1410 V CB 2.382 34.216 31.823 0.017 0.000 1.128 1410 V HN 0.642 nan 8.190 nan 0.000 0.456 1411 I N 0.309 120.946 120.570 0.113 0.000 3.174 1411 I HA 0.896 5.063 4.170 -0.005 0.000 0.313 1411 I C -1.574 174.695 176.117 0.254 0.000 1.155 1411 I CA -0.886 60.494 61.300 0.132 0.000 0.977 1411 I CB 2.433 40.449 38.000 0.026 0.000 1.248 1411 I HN 0.614 nan 8.210 nan 0.000 0.453 1412 F N 1.221 121.166 119.950 -0.008 0.000 2.591 1412 F HA 0.807 5.331 4.527 -0.005 0.000 0.309 1412 F C -0.874 175.037 175.800 0.186 0.000 1.098 1412 F CA -0.499 57.522 58.000 0.035 0.000 0.937 1412 F CB 1.265 40.174 39.000 -0.151 0.000 1.250 1412 F HN 0.858 nan 8.300 nan 0.000 0.447 1413 Q N 1.867 121.909 119.800 0.404 0.000 2.534 1413 Q HA 0.589 4.927 4.340 -0.005 0.000 0.290 1413 Q C -1.365 174.855 176.000 0.366 0.000 0.991 1413 Q CA -1.325 54.671 55.803 0.321 0.000 0.783 1413 Q CB 2.192 30.980 28.738 0.083 0.000 1.470 1413 Q HN 0.760 nan 8.270 nan 0.000 0.406 1414 R N 0.816 121.400 120.500 0.140 0.000 2.615 1414 R HA 0.402 4.740 4.340 -0.005 0.000 0.270 1414 R C 0.171 176.495 176.300 0.039 0.000 1.081 1414 R CA -0.445 55.652 56.100 -0.005 0.000 1.154 1414 R CB 0.308 30.501 30.300 -0.178 0.000 1.063 1414 R HN 0.597 nan 8.270 nan 0.000 0.519 1415 I N 1.880 122.484 120.570 0.057 0.000 2.648 1415 I HA -0.088 4.080 4.170 -0.005 0.000 0.284 1415 I C 1.248 177.392 176.117 0.045 0.000 1.153 1415 I CA 0.797 62.157 61.300 0.100 0.000 1.426 1415 I CB 0.523 38.595 38.000 0.119 0.000 1.381 1415 I HN 0.627 nan 8.210 nan 0.000 0.571 1416 E N 3.606 123.840 120.200 0.056 0.000 3.249 1416 E HA 0.135 4.482 4.350 -0.005 0.000 0.184 1416 E C -0.165 176.478 176.600 0.073 0.000 1.163 1416 E CA -0.173 56.242 56.400 0.026 0.000 1.353 1416 E CB 0.255 29.925 29.700 -0.049 0.000 1.466 1416 E HN 0.322 nan 8.360 nan 0.000 0.502 1417 V N 1.836 121.820 119.914 0.116 0.000 2.901 1417 V HA -0.029 4.088 4.120 -0.005 0.000 0.307 1417 V C 1.352 177.519 176.094 0.123 0.000 1.084 1417 V CA 1.397 63.770 62.300 0.121 0.000 1.184 1417 V CB 1.145 33.068 31.823 0.167 0.000 0.941 1417 V HN 0.589 nan 8.190 nan 0.000 0.493 1418 G N 1.361 110.207 108.800 0.078 0.000 3.042 1418 G HA2 -0.077 3.880 3.960 -0.005 0.000 0.212 1418 G HA3 -0.077 3.880 3.960 -0.005 0.000 0.212 1418 G C 1.158 176.095 174.900 0.061 0.000 1.166 1418 G CA 0.574 45.723 45.100 0.081 0.000 0.767 1418 G HN 1.016 nan 8.290 nan 0.000 0.546 1419 H N -0.784 118.203 119.070 -0.138 0.000 2.395 1419 H HA -0.001 4.552 4.556 -0.005 0.000 0.299 1419 H C 1.924 177.131 175.328 -0.201 0.000 1.070 1419 H CA 1.256 57.163 56.048 -0.235 0.000 1.356 1419 H CB -0.032 29.492 29.762 -0.397 0.000 1.401 1419 H HN 0.263 nan 8.280 nan 0.000 0.524 1420 Y N 1.221 121.569 120.300 0.080 0.000 2.109 1420 Y HA -0.132 4.415 4.550 -0.005 0.000 0.285 1420 Y C 2.755 178.654 175.900 -0.000 0.000 1.131 1420 Y CA 1.479 59.609 58.100 0.051 0.000 1.121 1420 Y CB -0.897 37.703 38.460 0.234 0.000 0.987 1420 Y HN 0.351 nan 8.280 nan 0.000 0.495 1421 E N -0.198 120.129 120.200 0.212 0.000 2.301 1421 E HA -0.246 4.101 4.350 -0.005 0.000 0.202 1421 E C 1.976 178.648 176.600 0.119 0.000 1.017 1421 E CA 1.524 58.014 56.400 0.149 0.000 0.831 1421 E CB -0.057 29.738 29.700 0.158 0.000 0.742 1421 E HN 0.370 nan 8.360 nan 0.000 0.491 1422 S N -0.426 115.286 115.700 0.020 0.000 2.421 1422 S HA -0.017 4.450 4.470 -0.005 0.000 0.224 1422 S C 1.753 176.303 174.600 -0.083 0.000 1.035 1422 S CA 0.218 58.412 58.200 -0.011 0.000 0.953 1422 S CB 0.094 63.251 63.200 -0.072 0.000 0.810 1422 S HN 0.298 nan 8.310 nan 0.000 0.497 1423 Q N 0.821 120.507 119.800 -0.189 0.000 2.061 1423 Q HA -0.148 4.189 4.340 -0.005 0.000 0.204 1423 Q C 2.133 178.025 176.000 -0.180 0.000 0.984 1423 Q CA 1.365 57.059 55.803 -0.183 0.000 0.846 1423 Q CB -0.355 28.318 28.738 -0.107 0.000 0.902 1423 Q HN 0.449 nan 8.270 nan 0.000 0.421 1424 L N 0.882 121.898 121.223 -0.345 0.000 1.941 1424 L HA -0.339 3.999 4.340 -0.005 0.000 0.224 1424 L C 2.520 179.254 176.870 -0.227 0.000 1.081 1424 L CA 1.993 56.568 54.840 -0.442 0.000 0.784 1424 L CB -0.379 41.346 42.059 -0.557 0.000 0.894 1424 L HN 0.155 nan 8.230 nan 0.000 0.436 1425 K N -1.200 119.055 120.400 -0.241 0.000 2.090 1425 K HA -0.348 3.970 4.320 -0.005 0.000 0.218 1425 K C 1.923 178.324 176.600 -0.333 0.000 1.055 1425 K CA 2.507 58.444 56.287 -0.583 0.000 0.941 1425 K CB -0.274 31.741 32.500 -0.808 0.000 0.722 1425 K HN 0.456 nan 8.250 nan 0.000 0.458 1426 H N -0.139 118.772 119.070 -0.265 0.000 2.353 1426 H HA -0.058 4.495 4.556 -0.005 0.000 0.300 1426 H C 1.892 177.161 175.328 -0.098 0.000 1.090 1426 H CA 1.674 57.620 56.048 -0.171 0.000 1.327 1426 H CB -0.149 29.543 29.762 -0.117 0.000 1.383 1426 H HN 0.122 nan 8.280 nan 0.000 0.508 1427 L N 0.006 121.270 121.223 0.069 0.000 1.955 1427 L HA -0.205 4.132 4.340 -0.005 0.000 0.213 1427 L C 2.205 179.141 176.870 0.109 0.000 1.072 1427 L CA 1.452 56.374 54.840 0.137 0.000 0.755 1427 L CB -0.519 41.617 42.059 0.128 0.000 0.888 1427 L HN 0.300 nan 8.230 nan 0.000 0.432 1428 I N -0.333 120.253 120.570 0.026 0.000 2.290 1428 I HA -0.354 3.813 4.170 -0.005 0.000 0.253 1428 I C 2.254 178.356 176.117 -0.024 0.000 1.112 1428 I CA 1.504 62.816 61.300 0.021 0.000 1.377 1428 I CB -0.541 37.425 38.000 -0.057 0.000 1.060 1428 I HN 0.434 nan 8.210 nan 0.000 0.428 1429 E N 0.416 120.543 120.200 -0.122 0.000 2.158 1429 E HA -0.179 4.168 4.350 -0.005 0.000 0.191 1429 E C 2.070 178.585 176.600 -0.141 0.000 0.982 1429 E CA 0.562 56.863 56.400 -0.164 0.000 0.823 1429 E CB 0.002 29.547 29.700 -0.257 0.000 0.766 1429 E HN 0.477 nan 8.360 nan 0.000 0.468 1430 E N 0.235 120.364 120.200 -0.118 0.000 2.031 1430 E HA -0.247 4.100 4.350 -0.005 0.000 0.193 1430 E C 1.997 178.312 176.600 -0.475 0.000 0.994 1430 E CA 1.115 57.367 56.400 -0.248 0.000 0.800 1430 E CB -0.044 29.572 29.700 -0.140 0.000 0.752 1430 E HN 0.229 nan 8.360 nan 0.000 0.447 1431 H N 0.450 119.263 119.070 -0.428 0.000 2.252 1431 H HA -0.185 4.368 4.556 -0.005 0.000 0.292 1431 H C 1.976 177.165 175.328 -0.232 0.000 1.082 1431 H CA 2.463 58.327 56.048 -0.307 0.000 1.229 1431 H CB -0.629 29.181 29.762 0.081 0.000 1.353 1431 H HN -0.013 nan 8.280 nan 0.000 0.488 1432 V N 0.070 119.922 119.914 -0.103 0.000 2.223 1432 V HA -0.411 3.707 4.120 -0.005 0.000 0.246 1432 V C 2.391 178.355 176.094 -0.216 0.000 1.045 1432 V CA 2.737 64.940 62.300 -0.161 0.000 1.004 1432 V CB -1.258 30.511 31.823 -0.090 0.000 0.641 1432 V HN 0.714 nan 8.190 nan 0.000 0.457 1433 T N -0.300 114.138 114.554 -0.193 0.000 2.412 1433 T HA -0.379 3.968 4.350 -0.005 0.000 0.228 1433 T C 1.694 176.273 174.700 -0.202 0.000 1.426 1433 T CA 2.318 64.307 62.100 -0.185 0.000 1.096 1433 T CB -0.632 68.122 68.868 -0.191 0.000 0.834 1433 T HN 0.543 nan 8.240 nan 0.000 0.439 1434 E N 0.318 120.347 120.200 -0.285 0.000 2.013 1434 E HA -0.130 4.217 4.350 -0.005 0.000 0.202 1434 E C 2.539 179.029 176.600 -0.183 0.000 1.018 1434 E CA 1.632 57.888 56.400 -0.239 0.000 0.834 1434 E CB -1.173 28.321 29.700 -0.343 0.000 0.770 1434 E HN 0.475 nan 8.360 nan 0.000 0.459 1435 T N 0.230 114.630 114.554 -0.257 0.000 2.977 1435 T HA -0.145 4.202 4.350 -0.005 0.000 0.271 1435 T C 0.346 174.939 174.700 -0.178 0.000 1.105 1435 T CA 0.854 62.810 62.100 -0.240 0.000 1.116 1435 T CB -0.118 68.444 68.868 -0.510 0.000 0.878 1435 T HN 0.236 nan 8.240 nan 0.000 0.509 1436 Q N 1.131 120.833 119.800 -0.163 0.000 2.434 1436 Q HA -0.146 4.191 4.340 -0.005 0.000 0.299 1436 Q C -0.308 175.647 176.000 -0.076 0.000 1.286 1436 Q CA 0.258 56.000 55.803 -0.102 0.000 0.872 1436 Q CB -1.460 27.234 28.738 -0.073 0.000 1.193 1436 Q HN 0.390 nan 8.270 nan 0.000 0.466 1437 S N -0.645 115.002 115.700 -0.089 0.000 2.416 1437 S HA 0.304 4.771 4.470 -0.005 0.000 0.287 1437 S C 1.111 175.739 174.600 0.047 0.000 1.139 1437 S CA -0.602 57.592 58.200 -0.009 0.000 1.058 1437 S CB 0.806 64.020 63.200 0.022 0.000 0.967 1437 S HN 0.378 nan 8.310 nan 0.000 0.495 1438 R N 2.756 123.295 120.500 0.065 0.000 2.126 1438 R HA -0.113 4.224 4.340 -0.005 0.000 0.224 1438 R C 1.761 178.133 176.300 0.121 0.000 1.128 1438 R CA 2.045 58.189 56.100 0.073 0.000 0.895 1438 R CB -0.898 29.444 30.300 0.070 0.000 0.817 1438 R HN 0.776 nan 8.270 nan 0.000 0.435 1439 F N 1.307 121.260 119.950 0.005 0.000 2.065 1439 F HA -0.419 4.105 4.527 -0.005 0.000 0.290 1439 F C 2.190 177.988 175.800 -0.003 0.000 1.079 1439 F CA 2.079 60.078 58.000 -0.002 0.000 1.261 1439 F CB -0.750 38.249 39.000 -0.003 0.000 0.968 1439 F HN 0.200 nan 8.300 nan 0.000 0.496 1440 A N 0.165 122.964 122.820 -0.034 0.000 1.855 1440 A HA 0.041 4.358 4.320 -0.005 0.000 0.215 1440 A C 2.467 179.979 177.584 -0.120 0.000 1.191 1440 A CA 2.208 54.144 52.037 -0.169 0.000 0.613 1440 A CB -1.718 17.376 19.000 0.156 0.000 0.829 1440 A HN 0.774 nan 8.150 nan 0.000 0.442 1441 A N -0.245 122.551 122.820 -0.040 0.000 1.971 1441 A HA -0.294 4.023 4.320 -0.005 0.000 0.222 1441 A C 1.910 179.462 177.584 -0.053 0.000 1.182 1441 A CA 2.102 54.112 52.037 -0.045 0.000 0.649 1441 A CB -0.630 18.354 19.000 -0.026 0.000 0.818 1441 A HN 0.689 nan 8.150 nan 0.000 0.458 1442 E N -0.941 119.218 120.200 -0.069 0.000 2.158 1442 E HA -0.023 4.324 4.350 -0.005 0.000 0.191 1442 E C 1.837 178.402 176.600 -0.058 0.000 0.982 1442 E CA 0.666 57.035 56.400 -0.051 0.000 0.823 1442 E CB -0.163 29.519 29.700 -0.030 0.000 0.766 1442 E HN 0.727 nan 8.360 nan 0.000 0.468 1443 I N 0.980 121.464 120.570 -0.143 0.000 2.394 1443 I HA -0.262 3.905 4.170 -0.005 0.000 0.251 1443 I C 2.144 178.355 176.117 0.156 0.000 1.136 1443 I CA 0.873 62.149 61.300 -0.041 0.000 1.425 1443 I CB -0.045 37.857 38.000 -0.165 0.000 1.079 1443 I HN 0.138 nan 8.210 nan 0.000 0.425 1444 L N 0.201 121.463 121.223 0.065 0.000 2.056 1444 L HA -0.181 4.156 4.340 -0.005 0.000 0.207 1444 L C 2.049 178.960 176.870 0.068 0.000 1.078 1444 L CA 1.027 55.891 54.840 0.041 0.000 0.749 1444 L CB -0.750 41.239 42.059 -0.115 0.000 0.901 1444 L HN 0.263 nan 8.230 nan 0.000 0.433 1445 N N -0.155 118.565 118.700 0.033 0.000 2.417 1445 N HA -0.195 4.543 4.740 -0.005 0.000 0.187 1445 N C 0.649 176.206 175.510 0.077 0.000 1.027 1445 N CA 1.251 54.324 53.050 0.037 0.000 0.891 1445 N CB -0.227 38.270 38.487 0.017 0.000 0.956 1445 N HN 0.294 nan 8.380 nan 0.000 0.442 1446 D N -1.360 119.114 120.400 0.124 0.000 2.740 1446 D HA 0.036 4.673 4.640 -0.005 0.000 0.301 1446 D C 0.936 177.351 176.300 0.192 0.000 1.408 1446 D CA -0.514 53.562 54.000 0.125 0.000 0.808 1446 D CB -0.309 40.542 40.800 0.084 0.000 1.128 1446 D HN 0.141 nan 8.370 nan 0.000 0.465 1447 W N 1.401 122.706 121.300 0.009 0.000 2.289 1447 W HA -0.403 4.254 4.660 -0.005 0.000 0.331 1447 W C 1.857 178.397 176.519 0.035 0.000 1.283 1447 W CA 2.267 59.624 57.345 0.019 0.000 1.252 1447 W CB -0.364 29.087 29.460 -0.015 0.000 1.153 1447 W HN 0.201 nan 8.180 nan 0.000 0.467 1448 A N 0.644 123.519 122.820 0.093 0.000 1.893 1448 A HA -0.370 3.947 4.320 -0.005 0.000 0.222 1448 A C 2.012 179.527 177.584 -0.115 0.000 1.309 1448 A CA 3.000 55.016 52.037 -0.035 0.000 0.681 1448 A CB -1.468 17.553 19.000 0.036 0.000 0.842 1448 A HN 0.525 nan 8.150 nan 0.000 0.468 1449 R N -1.245 119.223 120.500 -0.053 0.000 2.153 1449 R HA -0.051 4.287 4.340 -0.005 0.000 0.218 1449 R C 1.909 178.158 176.300 -0.085 0.000 1.072 1449 R CA 1.032 57.095 56.100 -0.061 0.000 0.990 1449 R CB -0.076 30.214 30.300 -0.017 0.000 0.889 1449 R HN 0.602 nan 8.270 nan 0.000 0.452 1450 E N 0.168 120.326 120.200 -0.070 0.000 2.112 1450 E HA -0.097 4.250 4.350 -0.005 0.000 0.190 1450 E C 2.067 178.621 176.600 -0.078 0.000 0.979 1450 E CA 0.984 57.386 56.400 0.004 0.000 0.814 1450 E CB -0.039 29.767 29.700 0.176 0.000 0.762 1450 E HN 0.151 nan 8.360 nan 0.000 0.460 1451 V N 1.461 121.073 119.914 -0.503 0.000 2.317 1451 V HA -0.286 3.831 4.120 -0.005 0.000 0.251 1451 V C 2.401 178.371 176.094 -0.206 0.000 1.065 1451 V CA 2.188 64.097 62.300 -0.651 0.000 1.049 1451 V CB -1.251 29.979 31.823 -0.987 0.000 0.651 1451 V HN 0.261 nan 8.190 nan 0.000 0.450 1452 T N -0.785 113.634 114.554 -0.226 0.000 2.837 1452 T HA -0.275 4.073 4.350 -0.005 0.000 0.266 1452 T C 1.654 176.226 174.700 -0.212 0.000 1.077 1452 T CA 1.900 63.889 62.100 -0.184 0.000 1.133 1452 T CB -0.278 68.492 68.868 -0.162 0.000 0.830 1452 T HN 0.617 nan 8.240 nan 0.000 0.512 1453 K N -1.199 119.093 120.400 -0.179 0.000 2.354 1453 K HA 0.214 4.531 4.320 -0.005 0.000 0.194 1453 K C 0.413 176.763 176.600 -0.418 0.000 1.038 1453 K CA -0.259 55.802 56.287 -0.376 0.000 1.052 1453 K CB 0.337 32.516 32.500 -0.536 0.000 0.861 1453 K HN 0.220 nan 8.250 nan 0.000 0.535 1454 F N 0.382 120.185 119.950 -0.246 0.000 2.313 1454 F HA 0.118 4.642 4.527 -0.005 0.000 0.288 1454 F C 0.171 175.903 175.800 -0.114 0.000 1.274 1454 F CA 0.176 58.147 58.000 -0.047 0.000 1.241 1454 F CB 0.310 39.379 39.000 0.115 0.000 1.409 1454 F HN -0.111 nan 8.300 nan 0.000 0.511 1455 W N 0.180 121.683 121.300 0.340 0.000 3.405 1455 W HA 0.329 4.987 4.660 -0.005 0.000 0.329 1455 W C -1.160 175.502 176.519 0.239 0.000 1.142 1455 W CA -0.798 56.691 57.345 0.241 0.000 1.235 1455 W CB 1.298 30.866 29.460 0.181 0.000 1.341 1455 W HN 0.252 nan 8.180 nan 0.000 0.481 1456 Q N 2.512 122.573 119.800 0.435 0.000 2.267 1456 Q HA 0.601 4.938 4.340 -0.005 0.000 0.255 1456 Q C -1.374 174.716 176.000 0.151 0.000 0.923 1456 Q CA -0.160 55.730 55.803 0.146 0.000 0.925 1456 Q CB 1.357 30.145 28.738 0.082 0.000 1.195 1456 Q HN 0.374 nan 8.270 nan 0.000 0.417 1457 V N 5.270 125.197 119.914 0.023 0.000 2.378 1457 V HA 0.475 4.592 4.120 -0.005 0.000 0.288 1457 V C -0.861 175.223 176.094 -0.017 0.000 1.016 1457 V CA -0.650 61.712 62.300 0.104 0.000 0.840 1457 V CB 1.702 33.638 31.823 0.188 0.000 0.994 1457 V HN 0.667 nan 8.190 nan 0.000 0.431 1458 V N 7.082 127.000 119.914 0.007 0.000 2.577 1458 V HA 0.433 4.551 4.120 -0.005 0.000 0.303 1458 V C -2.549 173.541 176.094 -0.006 0.000 1.042 1458 V CA -2.152 60.124 62.300 -0.039 0.000 0.872 1458 V CB 2.376 34.164 31.823 -0.058 0.000 0.998 1458 V HN 0.645 nan 8.190 nan 0.000 0.423 1459 P HA 0.189 nan 4.420 nan 0.000 0.266 1459 P C 0.509 177.810 177.300 0.003 0.000 1.195 1459 P CA 0.004 63.098 63.100 -0.010 0.000 0.768 1459 P CB 0.889 32.579 31.700 -0.017 0.000 0.838 1460 K N 2.230 122.635 120.400 0.009 0.000 1.978 1460 K HA -0.165 4.152 4.320 -0.005 0.000 0.214 1460 K C 1.488 178.095 176.600 0.013 0.000 1.049 1460 K CA 1.450 57.745 56.287 0.014 0.000 0.939 1460 K CB -0.293 32.215 32.500 0.014 0.000 0.721 1460 K HN 0.515 nan 8.250 nan 0.000 0.441 1461 E N 0.273 120.478 120.200 0.009 0.000 2.492 1461 E HA -0.188 4.159 4.350 -0.005 0.000 0.204 1461 E C 1.288 177.893 176.600 0.010 0.000 1.073 1461 E CA 0.774 57.180 56.400 0.009 0.000 0.887 1461 E CB -0.015 29.688 29.700 0.006 0.000 0.813 1461 E HN 0.325 nan 8.360 nan 0.000 0.562 1462 M N -0.481 119.125 119.600 0.010 0.000 2.367 1462 M HA 0.144 4.621 4.480 -0.005 0.000 0.256 1462 M C 1.901 178.215 176.300 0.024 0.000 1.091 1462 M CA -0.117 55.191 55.300 0.013 0.000 1.049 1462 M CB -0.169 32.433 32.600 0.005 0.000 1.406 1462 M HN 0.094 nan 8.290 nan 0.000 0.498 1463 L N 0.942 122.180 121.223 0.026 0.000 1.997 1463 L HA -0.302 4.036 4.340 -0.005 0.000 0.216 1463 L C 1.522 178.422 176.870 0.050 0.000 1.074 1463 L CA 1.407 56.272 54.840 0.041 0.000 0.763 1463 L CB -0.447 41.637 42.059 0.042 0.000 0.890 1463 L HN 0.357 nan 8.230 nan 0.000 0.434 1464 N N -0.631 118.091 118.700 0.037 0.000 2.353 1464 N HA -0.000 4.737 4.740 -0.005 0.000 0.185 1464 N C 1.071 176.599 175.510 0.031 0.000 1.098 1464 N CA 0.410 53.480 53.050 0.033 0.000 0.872 1464 N CB 0.162 38.663 38.487 0.023 0.000 0.970 1464 N HN 0.324 nan 8.380 nan 0.000 0.467 1465 R N 0.026 120.544 120.500 0.031 0.000 2.359 1465 R HA 0.231 4.568 4.340 -0.005 0.000 0.231 1465 R C 0.039 176.362 176.300 0.038 0.000 0.913 1465 R CA -0.068 56.048 56.100 0.026 0.000 1.075 1465 R CB 0.528 30.839 30.300 0.018 0.000 1.087 1465 R HN 0.104 nan 8.270 nan 0.000 0.515 1466 L N 2.220 123.476 121.223 0.056 0.000 2.283 1466 L HA 0.117 4.454 4.340 -0.005 0.000 0.281 1466 L C 1.434 178.354 176.870 0.084 0.000 1.033 1466 L CA -0.064 54.825 54.840 0.081 0.000 0.848 1466 L CB 1.056 43.179 42.059 0.106 0.000 1.226 1466 L HN 0.178 nan 8.230 nan 0.000 0.429 1467 E N 2.398 122.632 120.200 0.056 0.000 2.504 1467 E HA -0.299 4.049 4.350 -0.005 0.000 0.252 1467 E C 0.086 176.690 176.600 0.007 0.000 1.018 1467 E CA 2.035 58.448 56.400 0.022 0.000 1.151 1467 E CB 0.023 29.728 29.700 0.007 0.000 1.081 1467 E HN 0.406 nan 8.360 nan 0.000 0.509 1468 V N 3.202 123.115 119.914 -0.001 0.000 2.353 1468 V HA 0.170 4.287 4.120 -0.005 0.000 0.264 1468 V C -2.066 174.107 176.094 0.132 0.000 1.049 1468 V CA -1.200 61.066 62.300 -0.055 0.000 0.896 1468 V CB 0.731 32.340 31.823 -0.357 0.000 1.025 1468 V HN 0.295 nan 8.190 nan 0.000 0.475 1469 P HA -0.053 nan 4.420 nan 0.000 0.269 1469 P C 0.788 178.271 177.300 0.305 0.000 1.205 1469 P CA 0.274 63.483 63.100 0.181 0.000 0.780 1469 P CB 0.680 32.458 31.700 0.129 0.000 0.858 1470 V N 0.068 120.158 119.914 0.294 0.000 3.649 1470 V HA 0.020 4.137 4.120 -0.005 0.000 0.275 1470 V C 0.561 176.761 176.094 0.178 0.000 1.281 1470 V CA 1.027 63.508 62.300 0.301 0.000 1.143 1470 V CB -1.176 30.716 31.823 0.115 0.000 0.892 1470 V HN 0.533 nan 8.190 nan 0.000 0.441 1471 H N -1.616 117.543 119.070 0.149 0.000 2.731 1471 H HA 0.712 5.266 4.556 -0.005 0.000 0.368 1471 H C -0.280 175.097 175.328 0.081 0.000 1.168 1471 H CA -0.544 55.565 56.048 0.102 0.000 1.181 1471 H CB 1.587 31.391 29.762 0.071 0.000 1.743 1471 H HN 0.017 nan 8.280 nan 0.000 0.547 1472 L N 0.000 121.401 121.223 0.297 0.000 2.949 1472 L HA 0.000 4.337 4.340 -0.005 0.000 0.249 1472 L CA 0.000 54.944 54.840 0.173 0.000 0.813 1472 L CB 0.000 42.136 42.059 0.127 0.000 0.961 1472 L HN 0.000 nan 8.230 nan 0.000 0.502