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_F 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 0.728 4.685 3.960 -0.005 0.000 0.296 2 G HA3 0.728 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 0.062 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 0.546 176.489 176.094 -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 2.166 nan 8.190 nan 0.000 0.437 4 G N 0.494 108.919 108.800 -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 -1.780 172.744 174.900 -0.626 0.000 1.424 4 G CA -0.250 44.377 45.100 -0.789 0.000 0.786 4 G HN 1.689 nan 8.290 nan 0.000 0.485 5 F N -1.613 118.182 119.950 -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 1.563 122.333 120.570 0.334 0.000 2.827 6 I HA 0.814 4.981 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 20.878 19.000 0.194 0.000 1.282 7 A HN 0.854 nan 8.150 nan 0.000 0.400 8 A N 1.756 124.637 122.820 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 -0.466 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 1.417 122.008 120.570 0.034 0.000 2.286 9 I HA -0.222 3.945 4.170 -0.005 0.000 0.248 9 I C 1.766 177.885 176.117 0.002 0.000 1.115 9 I CA 1.884 63.195 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 0.492 120.896 120.400 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 40.659 40.800 0.004 0.000 0.902 10 D HN 0.415 nan 8.370 nan 0.000 0.530 11 G N -0.271 108.531 108.800 0.002 0.000 2.217 11 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.246 11 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.246 11 G C 0.148 175.063 174.900 0.024 0.000 0.990 11 G CA 0.160 45.262 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 -2.441 174.180 176.600 0.035 0.000 1.039 12 K CA -1.809 54.494 56.287 0.027 0.000 0.928 12 K CB 1.235 33.746 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 -0.846 176.470 177.300 0.025 0.000 1.208 13 P CA 0.146 63.267 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 1.024 121.537 120.500 0.021 0.000 2.680 14 R HA 0.317 4.655 4.340 -0.005 0.000 0.269 14 R C 0.645 176.954 176.300 0.015 0.000 1.026 14 R CA -0.866 55.245 56.100 0.018 0.000 0.889 14 R CB 1.422 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 0.978 121.488 120.500 0.016 0.000 2.119 15 R HA -0.049 4.288 4.340 -0.005 0.000 0.222 15 R C 1.524 177.828 176.300 0.007 0.000 1.088 15 R CA 2.290 58.400 56.100 0.017 0.000 0.984 15 R CB -0.168 30.145 30.300 0.021 0.000 0.884 15 R HN 0.705 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 2.007 176.605 174.600 -0.003 0.000 1.030 16 S CA 1.398 59.597 58.200 -0.001 0.000 1.002 16 S CB -0.855 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 -0.151 3.967 4.120 -0.005 0.000 0.251 17 V C 2.554 178.644 176.094 -0.008 0.000 1.063 17 V CA 1.777 64.083 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 -0.703 119.200 119.914 -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 1.341 63.622 62.300 -0.032 0.000 1.058 18 V CB -0.448 31.363 31.823 -0.019 0.000 0.689 18 V HN 0.577 nan 8.190 nan 0.000 0.461 19 E N 0.615 120.789 120.200 -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 1.449 57.815 56.400 -0.056 0.000 0.803 19 E CB -0.219 29.458 29.700 -0.039 0.000 0.750 19 E HN 0.566 nan 8.360 nan 0.000 0.448 20 K N 0.273 120.640 120.400 -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 1.321 57.564 56.287 -0.074 0.000 0.927 20 K CB -0.522 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 1.797 110.516 108.800 -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 1.002 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 0.379 120.842 120.570 -0.179 0.000 2.163 22 I HA -0.195 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 1.582 62.794 61.300 -0.147 0.000 1.347 22 I CB -0.348 37.588 38.000 -0.106 0.000 1.044 22 I HN 0.325 nan 8.210 nan 0.000 0.408 23 E N 1.210 121.317 120.200 -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 29.594 29.700 -0.096 0.000 0.743 23 E HN 0.502 nan 8.360 nan 0.000 0.453 24 A N 1.417 124.077 122.820 -0.267 0.000 1.842 24 A HA -0.211 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 1.663 53.510 52.037 -0.317 0.000 0.630 24 A CB -1.128 17.429 19.000 -0.738 0.000 0.839 24 A HN 0.386 nan 8.150 nan 0.000 0.447 25 L N -0.924 120.107 121.223 -0.320 0.000 2.468 25 L HA -0.236 4.101 4.340 -0.005 0.000 0.225 25 L C 2.127 178.985 176.870 -0.019 0.000 1.139 25 L CA 1.481 56.262 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 0.912 177.597 176.600 0.141 0.000 1.026 26 K CA 0.308 56.622 56.287 0.045 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 1.139 123.967 122.820 0.013 0.000 3.041 27 A HA 0.214 4.531 4.320 -0.005 0.000 0.307 27 A C 0.534 177.896 177.584 -0.371 0.000 1.116 27 A CA -0.420 51.536 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 -4.635 115.091 119.914 -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 62.484 62.300 -0.310 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 2.041 178.561 176.519 0.002 0.000 1.224 29 W CA 1.468 58.764 57.345 -0.083 0.000 1.210 29 W CB -1.892 27.512 29.460 -0.094 0.000 1.125 29 W HN 0.764 nan 8.180 nan 0.000 0.572 30 H N 0.804 119.327 119.070 -0.912 0.000 2.456 30 H HA 0.098 4.651 4.556 -0.005 0.000 0.296 30 H C 1.219 176.353 175.328 -0.323 0.000 1.079 30 H CA 0.978 56.585 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 0.133 0.000 2.555 31 R HA 0.257 4.594 4.340 -0.005 0.000 0.272 31 R C -0.012 176.341 176.300 0.088 0.000 1.089 31 R CA 0.149 56.265 56.100 0.026 0.000 1.126 31 R CB 0.963 31.301 30.300 0.063 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 -0.119 122.466 122.820 -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 51.818 52.037 -0.211 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 1.368 121.253 119.914 -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 -0.764 61.516 62.300 -0.032 0.000 0.996 34 V CB 1.309 33.140 31.823 0.013 0.000 0.995 34 V HN 0.801 nan 8.190 nan 0.000 0.476 35 D N 2.966 123.332 120.400 -0.057 0.000 2.193 35 D HA 0.538 5.176 4.640 -0.005 0.000 0.249 35 D C 0.902 177.179 176.300 -0.038 0.000 1.034 35 D CA 0.303 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 -1.124 119.256 120.400 -0.033 0.000 2.264 37 D HA 0.099 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 1.420 55.401 54.000 -0.032 0.000 0.864 37 D CB -0.758 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 0.253 109.026 108.800 -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 -1.661 118.710 120.400 -0.048 0.000 2.631 39 K HA 0.178 4.495 4.320 -0.005 0.000 0.200 39 K C 0.854 177.419 176.600 -0.058 0.000 1.481 39 K CA 0.500 56.764 56.287 -0.039 0.000 1.087 39 K CB 0.614 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 1.471 115.983 114.554 -0.070 0.000 2.751 40 T HA 0.324 4.672 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 62.081 62.100 -0.102 0.000 1.136 40 T CB 0.478 69.290 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 0.313 175.035 174.900 -0.295 0.000 1.277 41 G CA -0.535 44.421 45.100 -0.241 0.000 0.986 41 G HN 0.563 nan 8.290 nan 0.000 0.487 42 D N -0.720 119.508 120.400 -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 55.160 54.000 -0.262 0.000 0.874 42 D CB 0.936 41.623 40.800 -0.188 0.000 0.982 42 D HN 0.654 nan 8.370 nan 0.000 0.504 43 G N 0.154 108.742 108.800 -0.354 0.000 2.318 43 G HA2 0.467 4.424 3.960 -0.005 0.000 0.306 43 G HA3 0.467 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 -0.067 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 -0.501 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 -0.054 51.823 52.037 -0.266 0.000 0.694 44 A CB 1.887 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 4.546 3.960 -0.005 0.000 0.291 45 G HA3 0.589 4.546 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 -0.245 120.510 120.570 0.308 0.000 2.730 46 I HA 0.697 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 60.334 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 7.126 126.306 119.070 0.183 0.000 2.860 47 H HA 0.624 5.177 4.556 -0.005 0.000 0.312 47 H C -1.642 173.742 175.328 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 30.871 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 61.323 62.300 -0.136 0.000 1.066 48 V CB 0.945 32.736 31.823 -0.055 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 -0.269 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 19.002 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 -2.003 174.069 176.094 -0.037 0.000 1.026 50 V CA -0.468 61.812 62.300 -0.032 0.000 1.137 50 V CB 0.251 32.003 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 62.515 63.100 -0.141 0.000 0.929 51 P CB 1.063 32.419 31.700 -0.574 0.000 1.158 52 Q N 2.211 122.045 119.800 0.056 0.000 2.224 52 Q HA -0.137 4.200 4.340 -0.005 0.000 0.203 52 Q C 1.268 177.317 176.000 0.081 0.000 0.970 52 Q CA 1.426 57.283 55.803 0.091 0.000 0.865 52 Q CB -0.148 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 0.392 120.821 120.400 0.049 0.000 1.973 53 K HA -0.151 4.167 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 1.340 57.649 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 0.921 120.783 119.950 -0.147 0.000 2.063 54 F HA -0.297 4.227 4.527 -0.005 0.000 0.298 54 F C 1.934 177.576 175.800 -0.264 0.000 1.105 54 F CA 1.702 59.552 58.000 -0.249 0.000 1.215 54 F CB -0.247 38.469 39.000 -0.472 0.000 0.972 54 F HN -0.059 nan 8.300 nan 0.000 0.483 55 F N 0.333 120.339 119.950 0.093 0.000 2.234 55 F HA -0.067 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 1.301 59.304 58.000 0.004 0.000 1.343 55 F CB -0.575 38.420 39.000 -0.008 0.000 1.040 55 F HN -0.170 nan 8.300 nan 0.000 0.498 56 K N 0.141 120.594 120.400 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 58.037 56.287 0.012 0.000 0.930 56 K CB -0.435 32.073 32.500 0.015 0.000 0.714 56 K HN 0.096 nan 8.250 nan 0.000 0.438 57 D N -0.035 120.332 120.400 -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 -0.223 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 -0.163 118.768 119.070 -0.232 0.000 2.333 58 H HA 0.035 4.588 4.556 -0.005 0.000 0.302 58 H C 1.992 177.270 175.328 -0.084 0.000 1.075 58 H CA 1.089 57.008 56.048 -0.216 0.000 1.348 58 H CB -0.185 29.419 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 -0.177 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 1.795 64.097 62.300 0.004 0.000 1.064 59 V CB -0.316 31.410 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 -0.126 4.191 4.320 -0.005 0.000 0.209 60 K C 1.928 178.529 176.600 0.003 0.000 1.046 60 K CA 1.603 57.913 56.287 0.037 0.000 0.934 60 K CB -0.520 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 1.945 177.992 176.094 -0.079 0.000 1.114 61 V CA 1.511 63.752 62.300 -0.099 0.000 1.133 61 V CB -0.566 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 -0.607 119.936 120.570 -0.046 0.000 3.228 62 I HA 0.193 4.360 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 1.178 62.494 61.300 0.026 0.000 1.458 62 I CB 0.115 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 0.909 109.777 108.800 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 -0.251 174.683 174.900 0.057 0.000 1.031 63 G CA -0.543 44.595 45.100 0.064 0.000 0.697 63 G HN 0.358 nan 8.290 nan 0.000 0.494 64 H N -0.694 118.436 119.070 0.101 0.000 2.748 64 H HA 0.827 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 -0.497 55.642 56.048 0.152 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 0.531 121.209 120.500 0.296 0.000 2.514 65 R HA 0.667 5.004 4.340 -0.005 0.000 0.301 65 R C -1.101 175.319 176.300 0.201 0.000 0.962 65 R CA -0.981 55.225 56.100 0.177 0.000 0.882 65 R CB 1.034 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 5.669 128.563 122.820 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 -1.107 50.986 52.037 0.093 0.000 0.768 66 A CB -0.072 18.958 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 -0.383 176.955 177.300 0.062 0.000 1.250 67 P CA -0.153 63.008 63.100 0.100 0.000 0.793 67 P CB 0.534 32.310 31.700 0.127 0.000 1.011 68 D N -1.695 118.733 120.400 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 40.219 40.800 0.026 0.000 0.982 68 D HN 0.412 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 -0.274 175.269 175.510 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 -1.055 119.389 120.400 0.074 0.000 2.098 70 K HA 0.386 4.703 4.320 -0.005 0.000 0.261 70 K C -0.682 175.998 176.600 0.133 0.000 0.987 70 K CA -0.771 55.570 56.287 0.091 0.000 0.916 70 K CB 0.882 33.444 32.500 0.103 0.000 1.039 70 K HN 0.282 nan 8.250 nan 0.000 0.455 71 L N 1.278 122.548 121.223 0.079 0.000 2.352 71 L HA 0.594 4.931 4.340 -0.005 0.000 0.269 71 L C -0.870 175.994 176.870 -0.009 0.000 1.034 71 L CA -0.108 54.757 54.840 0.043 0.000 0.806 71 L CB 1.585 43.610 42.059 -0.056 0.000 1.244 71 L HN 0.817 nan 8.230 nan 0.000 0.447 72 A N 2.714 125.493 122.820 -0.067 0.000 2.401 72 A HA 0.826 5.143 4.320 -0.005 0.000 0.310 72 A C -1.524 175.840 177.584 -0.367 0.000 1.075 72 A CA -0.526 51.365 52.037 -0.243 0.000 0.746 72 A CB 1.604 20.389 19.000 -0.359 0.000 1.277 72 A HN 0.421 nan 8.150 nan 0.000 0.425 73 V N 0.644 120.283 119.914 -0.459 0.000 2.680 73 V HA 0.782 4.900 4.120 -0.005 0.000 0.309 73 V C 0.649 176.500 176.094 -0.404 0.000 1.052 73 V CA -0.275 61.720 62.300 -0.510 0.000 0.908 73 V CB 1.956 33.347 31.823 -0.719 0.000 1.001 73 V HN 1.242 nan 8.190 nan 0.000 0.431 74 G N 1.766 110.343 108.800 -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 -0.969 173.752 174.900 -0.298 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 0.988 120.607 119.800 -0.303 0.000 2.357 75 Q HA 0.522 4.860 4.340 -0.005 0.000 0.266 75 Q C -0.875 174.937 176.000 -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 -0.379 0.000 1.243 75 Q HN 0.734 nan 8.270 nan 0.000 0.465 76 V N 3.582 123.405 119.914 -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 -0.655 61.566 62.300 -0.131 0.000 0.937 76 V CB 1.608 33.412 31.823 -0.033 0.000 1.013 76 V HN 0.643 nan 8.190 nan 0.000 0.430 77 F N 5.639 125.534 119.950 -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 56.645 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 -2.391 52.581 54.840 0.219 0.000 0.818 78 L CB 1.821 43.993 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 -0.470 176.846 177.300 0.027 0.000 1.209 79 P CA -0.092 63.051 63.100 0.073 0.000 0.776 79 P CB 0.600 32.348 31.700 0.080 0.000 0.876 80 R N 2.695 123.189 120.500 -0.009 0.000 2.487 80 R HA 0.313 4.650 4.340 -0.005 0.000 0.272 80 R C 0.938 177.226 176.300 -0.020 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 -0.071 0.000 1.265 80 R HN 0.332 nan 8.270 nan 0.000 0.537 81 I N 0.423 120.986 120.570 -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 61.454 61.300 -0.007 0.000 1.226 81 I CB 1.023 39.020 38.000 -0.005 0.000 1.045 81 I HN 0.059 nan 8.210 nan 0.000 0.420 82 S N 1.129 116.829 115.700 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 2.855 124.071 121.223 -0.012 0.000 2.081 83 L HA -0.128 4.209 4.340 -0.005 0.000 0.212 83 L C 2.000 178.855 176.870 -0.024 0.000 1.080 83 L CA 1.182 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 0.529 120.919 120.400 -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 1.848 55.837 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 0.717 123.530 122.820 -0.011 0.000 1.898 85 A HA -0.217 4.100 4.320 -0.005 0.000 0.216 85 A C 2.109 179.686 177.584 -0.011 0.000 1.181 85 A CA 1.508 53.541 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 -0.554 119.241 119.800 -0.008 0.000 2.077 86 Q HA -0.241 4.096 4.340 -0.005 0.000 0.206 86 Q C 1.967 177.926 176.000 -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 0.565 nan 8.270 nan 0.000 0.418 87 E N 0.769 120.922 120.200 -0.078 0.000 2.023 87 E HA -0.197 4.150 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 57.663 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 0.893 123.674 122.820 -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 2.131 54.127 52.037 -0.068 0.000 0.647 88 A CB -1.270 17.694 19.000 -0.061 0.000 0.828 88 A HN 0.436 nan 8.150 nan 0.000 0.455 89 C N -0.288 118.947 119.300 -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 -1.383 26.332 27.740 -0.041 0.000 2.042 89 C HN 0.792 nan 8.230 nan 0.000 0.468 90 R N 0.630 121.081 120.500 -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 2.100 58.149 56.100 -0.085 0.000 0.967 90 R CB -1.395 28.594 30.300 -0.520 0.000 0.861 90 R HN 0.530 nan 8.270 nan 0.000 0.442 91 C N 1.654 120.940 119.300 -0.022 0.000 2.413 91 C HA -0.031 4.426 4.460 -0.005 0.000 0.276 91 C C 2.777 177.786 174.990 0.033 0.000 1.236 91 C CA 0.429 59.455 59.018 0.012 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 1.182 121.745 120.570 -0.013 0.000 2.179 92 I HA -0.174 3.993 4.170 -0.005 0.000 0.242 92 I C 2.491 178.623 176.117 0.025 0.000 1.088 92 I CA 1.482 62.766 61.300 -0.027 0.000 1.357 92 I CB -0.920 37.006 38.000 -0.123 0.000 1.051 92 I HN 0.191 nan 8.210 nan 0.000 0.409 93 V N 0.990 120.953 119.914 0.082 0.000 2.255 93 V HA -0.292 3.825 4.120 -0.005 0.000 0.247 93 V C 2.422 178.606 176.094 0.151 0.000 1.051 93 V CA 2.023 64.423 62.300 0.166 0.000 1.018 93 V CB -0.783 31.258 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 0.214 0.000 2.017 94 E HA -0.199 4.148 4.350 -0.005 0.000 0.193 94 E C 2.320 178.990 176.600 0.118 0.000 0.997 94 E CA 1.940 58.445 56.400 0.175 0.000 0.804 94 E CB -0.399 29.433 29.700 0.220 0.000 0.757 94 E HN 0.601 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 1.738 63.891 62.100 0.087 0.000 1.171 95 T CB -0.348 68.557 68.868 0.062 0.000 0.863 95 T HN 0.164 nan 8.240 nan 0.000 0.430 96 E N 0.622 120.880 120.200 0.098 0.000 2.110 96 E HA -0.034 4.313 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 0.802 57.279 56.400 0.128 0.000 0.804 96 E CB -0.460 29.278 29.700 0.063 0.000 0.745 96 E HN 0.557 nan 8.360 nan 0.000 0.458 97 I N 0.767 121.400 120.570 0.106 0.000 2.394 97 I HA -0.241 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 -0.161 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 0.424 121.764 121.223 0.195 0.000 2.005 98 L HA -0.142 4.195 4.340 -0.005 0.000 0.207 98 L C 2.714 179.714 176.870 0.216 0.000 1.072 98 L CA 1.254 56.208 54.840 0.190 0.000 0.744 98 L CB -0.660 41.477 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 1.714 179.403 177.584 0.176 0.000 1.167 99 A CA 1.308 53.448 52.037 0.173 0.000 0.698 99 A CB -0.684 18.402 19.000 0.143 0.000 0.779 99 A HN 0.388 nan 8.150 nan 0.000 0.475 100 F N -0.884 119.159 119.950 0.155 0.000 2.727 100 F HA 0.339 4.863 4.527 -0.004 0.000 0.302 100 F C 1.727 177.550 175.800 0.038 0.000 1.097 100 F CA 0.271 58.375 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 0.336 nan 8.300 nan 0.000 0.578 101 G N 0.095 109.011 108.800 0.192 0.000 2.221 101 G HA2 -0.333 3.625 3.960 -0.005 0.000 0.265 101 G HA3 -0.333 3.625 3.960 -0.005 0.000 0.265 101 G C -0.041 174.858 174.900 -0.000 0.000 1.041 101 G CA -0.060 45.075 45.100 0.058 0.000 0.807 101 G HN 0.333 nan 8.290 nan 0.000 0.502 102 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 0.466 176.499 175.900 0.222 0.000 1.323 102 Y CA -0.878 57.350 58.100 0.214 0.000 1.526 102 Y CB 0.666 39.286 38.460 0.267 0.000 1.603 102 Y HN 0.230 nan 8.280 nan 0.000 0.563 103 Y N 1.005 121.468 120.300 0.272 0.000 2.409 103 Y HA 0.544 5.091 4.550 -0.004 0.000 0.343 103 Y C -1.150 174.804 175.900 0.089 0.000 0.973 103 Y CA -1.596 56.568 58.100 0.107 0.000 1.064 103 Y CB 0.814 39.281 38.460 0.012 0.000 1.207 103 Y HN 0.331 nan 8.280 nan 0.000 0.452 104 I N 7.813 127.936 120.570 -0.745 0.000 2.307 104 I HA 0.091 4.258 4.170 -0.005 0.000 0.289 104 I C -0.355 175.313 176.117 -0.748 0.000 1.021 104 I CA -0.464 60.523 61.300 -0.522 0.000 1.224 104 I CB 0.888 38.719 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 -0.180 0.000 1.130 105 Y CA 0.565 58.459 58.100 -0.344 0.000 1.254 105 Y CB -0.286 38.016 38.460 -0.264 0.000 1.000 105 Y HN 0.722 nan 8.280 nan 0.000 0.554 106 G N -2.219 106.564 108.800 -0.028 0.000 2.392 106 G HA2 -0.066 3.891 3.960 -0.005 0.000 0.677 106 G HA3 -0.066 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 0.063 nan 8.290 nan 0.000 0.616 107 W N -0.104 121.239 121.300 0.072 0.000 2.129 107 W HA 0.750 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 0.596 30.092 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 -0.820 175.596 176.300 0.194 0.000 1.344 108 R CA -0.694 55.526 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 3.497 123.408 119.800 0.184 0.000 2.262 109 Q HA 0.055 4.393 4.340 -0.005 0.000 0.298 109 Q C -0.829 175.247 176.000 0.127 0.000 1.083 109 Q CA 0.023 55.913 55.803 0.145 0.000 0.962 109 Q CB 0.933 29.734 28.738 0.105 0.000 1.104 109 Q HN 0.408 nan 8.270 nan 0.000 0.376 110 V N 7.611 127.602 119.914 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 -1.481 60.895 62.300 0.127 0.000 1.016 110 V CB 0.676 32.578 31.823 0.132 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 -0.503 176.784 177.300 -0.022 0.000 1.205 111 P CA 0.258 63.378 63.100 0.034 0.000 0.765 111 P CB 0.333 32.066 31.700 0.055 0.000 0.828 112 I N -0.951 119.525 120.570 -0.156 0.000 3.004 112 I HA 0.501 4.668 4.170 -0.005 0.000 0.305 112 I C -1.331 174.569 176.117 -0.361 0.000 1.312 112 I CA -1.172 59.864 61.300 -0.440 0.000 0.992 112 I CB 2.822 40.349 38.000 -0.788 0.000 1.282 112 I HN 0.116 nan 8.210 nan 0.000 0.449 113 N N 3.004 121.469 118.700 -0.391 0.000 2.518 113 N HA 0.395 5.132 4.740 -0.005 0.000 0.254 113 N C 0.574 176.071 175.510 -0.021 0.000 0.979 113 N CA -0.776 52.185 53.050 -0.148 0.000 0.930 113 N CB 1.850 40.294 38.487 -0.072 0.000 1.152 113 N HN 0.704 nan 8.380 nan 0.000 0.505 114 V N 0.317 120.239 119.914 0.014 0.000 3.592 114 V HA 0.057 4.174 4.120 -0.005 0.000 0.272 114 V C 0.904 177.071 176.094 0.122 0.000 1.228 114 V CA 0.715 63.106 62.300 0.152 0.000 1.173 114 V CB -0.220 31.673 31.823 0.117 0.000 0.873 114 V HN 0.574 nan 8.190 nan 0.000 0.476 115 D N 2.197 122.639 120.400 0.070 0.000 2.178 115 D HA -0.024 4.613 4.640 -0.005 0.000 0.202 115 D C 1.666 178.001 176.300 0.058 0.000 0.974 115 D CA 1.827 55.857 54.000 0.050 0.000 0.841 115 D CB -0.106 40.707 40.800 0.022 0.000 0.953 115 D HN 0.783 nan 8.370 nan 0.000 0.478 116 I N -1.601 119.017 120.570 0.080 0.000 3.780 116 I HA 0.232 4.400 4.170 -0.005 0.000 0.312 116 I C 0.015 176.180 176.117 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 -0.240 nan 8.210 nan 0.000 0.418 117 I N 0.735 121.367 120.570 0.102 0.000 2.892 117 I HA 0.573 4.740 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 2.352 40.480 38.000 0.214 0.000 1.229 117 I HN 0.216 nan 8.210 nan 0.000 0.435 118 G N 1.744 110.572 108.800 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 0.379 175.310 174.900 0.052 0.000 1.210 118 G CA -0.171 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 1.059 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 0.502 120.929 120.400 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 2.108 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 -0.165 122.718 122.820 0.105 0.000 1.897 121 A HA -0.104 4.213 4.320 -0.005 0.000 0.215 121 A C 2.018 179.800 177.584 0.330 0.000 1.181 121 A CA 1.787 53.959 52.037 0.225 0.000 0.620 121 A CB -0.662 18.418 19.000 0.134 0.000 0.821 121 A HN 0.526 nan 8.150 nan 0.000 0.443 122 N N 0.149 118.973 118.700 0.206 0.000 2.520 122 N HA 0.003 4.741 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 0.370 nan 8.380 nan 0.000 0.446 123 A N -0.620 122.262 122.820 0.102 0.000 1.873 123 A HA -0.086 4.232 4.320 -0.005 0.000 0.215 123 A C 2.061 179.677 177.584 0.052 0.000 1.186 123 A CA 1.889 53.968 52.037 0.070 0.000 0.616 123 A CB -1.145 17.906 19.000 0.085 0.000 0.823 123 A HN 0.498 nan 8.150 nan 0.000 0.442 124 T N -2.682 111.935 114.554 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 -0.429 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 2.997 123.338 120.500 -0.265 0.000 2.421 125 R HA 0.218 4.555 4.340 -0.005 0.000 0.305 125 R C -2.183 173.721 176.300 -0.660 0.000 1.039 125 R CA -1.455 54.147 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 0.050 nan 4.420 nan 0.000 0.279 126 P C -1.120 175.996 177.300 -0.307 0.000 1.282 126 P CA -0.315 62.516 63.100 -0.447 0.000 0.788 126 P CB 0.580 31.970 31.700 -0.516 0.000 1.139 127 E N 0.186 120.318 120.200 -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 -0.297 56.081 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 4.597 125.224 120.570 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 60.986 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 5.467 125.808 120.200 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 -0.900 174.988 176.000 -0.186 0.000 1.035 130 Q CA -0.746 55.054 55.803 -0.005 0.000 0.856 130 Q CB 2.724 31.476 28.738 0.024 0.000 1.337 130 Q HN 0.465 nan 8.270 nan 0.000 0.450 131 I N 1.643 121.947 120.570 -0.444 0.000 2.498 131 I HA 0.469 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 7.600 127.961 120.570 -0.349 0.000 2.359 132 I HA 0.499 4.666 4.170 -0.005 0.000 0.294 132 I C -0.683 175.378 176.117 -0.093 0.000 0.987 132 I CA -0.836 60.331 61.300 -0.221 0.000 1.225 132 I CB 1.694 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 4.155 124.038 119.914 -0.052 0.000 2.876 133 V HA 0.761 4.878 4.120 -0.005 0.000 0.312 133 V C 0.216 176.495 176.094 0.309 0.000 1.085 133 V CA -0.478 61.886 62.300 0.107 0.000 0.945 133 V CB 2.179 33.994 31.823 -0.014 0.000 1.017 133 V HN 0.928 nan 8.190 nan 0.000 0.428 134 G N 0.888 109.996 108.800 0.513 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 -0.788 174.358 174.900 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 1.039 119.812 118.700 0.121 0.000 3.229 135 N HA 0.011 4.748 4.740 -0.005 0.000 0.275 135 N C 1.369 176.859 175.510 -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 38.290 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 -0.078 0.000 1.018 136 N CA 1.003 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 1.838 110.579 108.800 -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 0.257 175.126 174.900 -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 0.132 120.013 119.914 -0.056 0.000 3.596 139 V HA 0.678 4.795 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 62.474 62.300 0.008 0.000 1.020 139 V CB 1.503 33.372 31.823 0.076 0.000 1.243 139 V HN 1.023 nan 8.190 nan 0.000 0.433 140 S N -0.368 115.372 115.700 0.067 0.000 2.652 140 S HA 0.181 4.648 4.470 -0.005 0.000 0.270 140 S C 0.642 175.314 174.600 0.121 0.000 1.243 140 S CA -0.502 57.742 58.200 0.075 0.000 0.999 140 S CB 0.990 64.235 63.200 0.074 0.000 0.973 140 S HN 0.640 nan 8.310 nan 0.000 0.544 141 D N 1.467 121.934 120.400 0.111 0.000 2.160 141 D HA -0.166 4.471 4.640 -0.005 0.000 0.189 141 D C 1.778 178.168 176.300 0.150 0.000 1.003 141 D CA 2.156 56.240 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 -0.146 4.201 4.350 -0.005 0.000 0.195 142 E C 2.029 178.710 176.600 0.134 0.000 0.992 142 E CA 0.741 57.200 56.400 0.099 0.000 0.804 142 E CB -0.251 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 0.166 0.000 2.297 143 Q HA -0.032 4.305 4.340 -0.005 0.000 0.204 143 Q C 1.720 177.907 176.000 0.311 0.000 0.962 143 Q CA 0.517 56.447 55.803 0.211 0.000 0.879 143 Q CB -0.119 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 2.018 122.020 119.950 0.087 0.000 2.163 144 F HA -0.119 4.406 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 1.057 59.075 58.000 0.031 0.000 1.290 144 F CB 0.034 39.043 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 0.007 0.000 0.989 145 E CA 0.894 57.260 56.400 -0.056 0.000 0.800 145 E CB -1.040 28.651 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 1.447 178.405 176.870 0.146 0.000 1.071 146 L CA 2.011 56.954 54.840 0.172 0.000 0.745 146 L CB -1.060 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 -0.236 120.236 120.400 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 1.628 55.618 54.000 -0.016 0.000 0.836 147 D CB -0.346 40.590 40.800 0.226 0.000 0.951 147 D HN 0.348 nan 8.370 nan 0.000 0.449 148 L N -0.224 120.804 121.223 -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 1.214 55.808 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 2.433 178.219 175.900 -0.189 0.000 1.143 149 Y CA 1.590 59.589 58.100 -0.168 0.000 1.115 149 Y CB -0.601 37.818 38.460 -0.068 0.000 0.975 149 Y HN 0.029 nan 8.280 nan 0.000 0.487 150 I N 0.000 120.355 120.570 -0.359 0.000 2.194 150 I HA -0.377 3.791 4.170 -0.005 0.000 0.246 150 I C 2.477 178.302 176.117 -0.487 0.000 1.093 150 I CA 1.891 62.894 61.300 -0.495 0.000 1.355 150 I CB -0.701 37.085 38.000 -0.355 0.000 1.046 150 I HN 0.265 nan 8.210 nan 0.000 0.413 151 I N 0.411 120.644 120.570 -0.560 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 1.426 62.459 61.300 -0.446 0.000 1.347 151 I CB -0.541 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 2.496 178.710 176.300 -0.144 0.000 1.142 152 R CA 1.480 57.479 56.100 -0.168 0.000 0.960 152 R CB -0.076 30.143 30.300 -0.135 0.000 0.858 152 R HN 0.271 nan 8.270 nan 0.000 0.439 153 R N 0.208 120.559 120.500 -0.250 0.000 2.092 153 R HA -0.077 4.260 4.340 -0.005 0.000 0.231 153 R C 2.237 178.457 176.300 -0.133 0.000 1.119 153 R CA 1.156 57.124 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 0.254 120.672 120.500 -0.136 0.000 2.096 154 R HA 0.006 4.343 4.340 -0.005 0.000 0.235 154 R C 2.410 178.687 176.300 -0.039 0.000 1.127 154 R CA 1.067 57.131 56.100 -0.061 0.000 0.968 154 R CB -0.329 29.956 30.300 -0.026 0.000 0.861 154 R HN 0.201 nan 8.270 nan 0.000 0.440 155 I N 0.537 121.082 120.570 -0.041 0.000 2.163 155 I HA -0.249 3.918 4.170 -0.005 0.000 0.240 155 I C 2.412 178.511 176.117 -0.031 0.000 1.081 155 I CA 1.280 62.560 61.300 -0.033 0.000 1.353 155 I CB -0.284 37.728 38.000 0.021 0.000 1.054 155 I HN 0.184 nan 8.210 nan 0.000 0.407 156 E N 1.278 121.502 120.200 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 2.168 58.624 56.400 0.095 0.000 0.825 156 E CB -0.076 29.653 29.700 0.049 0.000 0.756 156 E HN 0.223 nan 8.360 nan 0.000 0.454 157 K N -0.300 120.099 120.400 -0.000 0.000 2.074 157 K HA -0.217 4.100 4.320 -0.005 0.000 0.209 157 K C 1.952 178.543 176.600 -0.014 0.000 1.048 157 K CA 1.564 57.848 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 0.298 123.098 122.820 -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 1.566 53.577 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 0.783 120.627 119.914 -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 0.958 121.352 120.400 -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 0.005 0.000 1.049 160 K CA 2.048 58.347 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 0.427 nan 8.250 nan 0.000 0.441 161 G N 0.649 109.447 108.800 -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 46.070 45.100 -0.006 0.000 0.749 161 G HN 0.457 nan 8.290 nan 0.000 0.568 162 E N 0.070 120.257 120.200 -0.023 0.000 2.418 162 E HA 0.023 4.370 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 0.030 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 0.306 nan 8.270 nan 0.000 0.411 164 I N 1.178 121.759 120.570 0.019 0.000 2.359 164 I HA 0.253 4.421 4.170 -0.005 0.000 0.294 164 I C 0.503 176.671 176.117 0.084 0.000 0.987 164 I CA -0.617 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 5.606 124.357 118.700 0.086 0.000 2.508 165 N HA 0.220 4.957 4.740 -0.005 0.000 0.285 165 N C -0.420 175.178 175.510 0.148 0.000 1.144 165 N CA -0.240 52.876 53.050 0.110 0.000 0.978 165 N CB 1.177 39.710 38.487 0.076 0.000 1.180 165 N HN 0.596 nan 8.380 nan 0.000 0.484 166 D N -0.282 120.221 120.400 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 0.594 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 1.280 40.354 39.000 0.124 0.000 1.136 167 F HN -0.021 nan 8.300 nan 0.000 0.470 168 Y N 6.497 126.378 120.300 -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 -0.647 0.000 1.174 168 Y CA -1.392 56.424 58.100 -0.473 0.000 1.060 168 Y CB 1.181 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 6.782 126.623 120.570 -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 -0.436 60.323 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 -0.069 4.388 4.460 -0.005 0.000 0.283 170 C C 1.518 176.312 174.990 -0.327 0.000 1.238 170 C CA 0.558 59.337 59.018 -0.398 0.000 1.735 170 C CB -0.894 26.634 27.740 -0.353 0.000 2.080 170 C HN 0.868 nan 8.230 nan 0.000 0.463 171 S N -0.517 114.982 115.700 -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 0.345 nan 8.310 nan 0.000 0.488 172 L N 2.560 123.624 121.223 -0.265 0.000 2.440 172 L HA 0.645 4.983 4.340 -0.005 0.000 0.261 172 L C -0.559 176.128 176.870 -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 1.137 nan 8.230 nan 0.000 0.509 173 S N 1.244 116.758 115.700 -0.310 0.000 2.705 173 S HA 0.891 5.359 4.470 -0.005 0.000 0.280 173 S C 0.327 174.743 174.600 -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 0.642 nan 8.310 nan 0.000 0.487 174 A N 0.064 122.728 122.820 -0.260 0.000 2.348 174 A HA 0.393 4.710 4.320 -0.005 0.000 0.224 174 A C 1.832 179.387 177.584 -0.048 0.000 1.227 174 A CA 0.248 52.201 52.037 -0.141 0.000 0.885 174 A CB -0.377 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 -0.635 119.847 120.500 -0.031 0.000 2.105 175 R HA 0.210 4.547 4.340 -0.005 0.000 0.214 175 R C -0.171 176.205 176.300 0.126 0.000 1.091 175 R CA 1.228 57.365 56.100 0.061 0.000 1.007 175 R CB 0.257 30.606 30.300 0.083 0.000 0.912 175 R HN 0.336 nan 8.270 nan 0.000 0.450 176 S N -0.385 115.356 115.700 0.067 0.000 2.568 176 S HA 0.512 4.979 4.470 -0.005 0.000 0.293 176 S C -1.201 173.356 174.600 -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 1.494 122.019 120.570 -0.075 0.000 2.894 177 I HA 0.624 4.791 4.170 -0.005 0.000 0.302 177 I C -2.027 174.015 176.117 -0.125 0.000 1.188 177 I CA -1.206 60.016 61.300 -0.131 0.000 1.014 177 I CB 1.546 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 6.210 126.676 120.570 -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 -0.409 60.855 61.300 -0.060 0.000 1.091 178 I CB 1.607 39.533 38.000 -0.123 0.000 1.242 178 I HN 0.427 nan 8.210 nan 0.000 0.439 179 Y N 7.044 127.389 120.300 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 1.165 39.608 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 0.931 5.248 4.320 -0.005 0.000 0.279 180 K C -1.071 175.920 176.600 0.651 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 0.443 109.299 108.800 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 -1.648 172.525 174.900 -1.212 0.000 1.306 181 G CA -0.881 44.117 45.100 -0.171 0.000 0.836 181 G HN 0.483 nan 8.290 nan 0.000 0.517 182 M N 1.493 119.971 119.600 -1.871 0.000 3.652 182 M HA 0.540 5.017 4.480 -0.005 0.000 0.208 182 M C -0.967 174.706 176.300 -1.046 0.000 1.307 182 M CA -0.623 53.776 55.300 -1.501 0.000 1.524 182 M CB -1.289 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 -1.161 118.395 119.950 -0.656 0.000 2.599 183 F HA 0.660 5.184 4.527 -0.005 0.000 0.311 183 F C -1.047 174.577 175.800 -0.294 0.000 1.076 183 F CA -2.095 55.628 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 2.709 123.908 121.223 -0.039 0.000 2.615 184 L HA 0.118 4.456 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 -0.471 41.580 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 1.886 53.977 52.037 0.090 0.000 0.636 185 A CB -0.515 18.516 19.000 0.052 0.000 0.815 185 A HN 0.875 nan 8.150 nan 0.000 0.449 186 E N -0.138 120.103 120.200 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 1.081 57.494 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 0.642 nan 8.360 nan 0.000 0.491 187 Q N 0.475 120.307 119.800 0.054 0.000 2.204 187 Q HA 0.136 4.473 4.340 -0.005 0.000 0.209 187 Q C 1.727 177.705 176.000 -0.036 0.000 0.861 187 Q CA -0.062 55.751 55.803 0.018 0.000 0.971 187 Q CB 0.508 29.260 28.738 0.023 0.000 1.095 187 Q HN 0.294 nan 8.270 nan 0.000 0.486 188 L N 0.677 121.934 121.223 0.057 0.000 1.990 188 L HA -0.159 4.178 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 2.089 56.920 54.840 -0.015 0.000 0.755 188 L CB -0.971 41.226 42.059 0.230 0.000 0.889 188 L HN 0.044 nan 8.230 nan 0.000 0.432 189 T N -1.443 113.067 114.554 -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 63.642 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 0.159 114.653 114.554 -0.099 0.000 2.953 190 T HA 0.149 4.497 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 0.182 62.236 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 0.960 120.680 119.950 -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 38.588 39.000 -0.986 0.000 1.074 191 F HN 0.093 nan 8.300 nan 0.000 0.553 192 Y N 0.073 120.299 120.300 -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 0.536 38.978 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 1.208 64.251 63.100 -0.095 0.000 0.787 193 P CB 0.618 32.290 31.700 -0.048 0.000 0.788 194 D N -0.100 120.161 120.400 -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 -0.855 0.000 0.997 194 D CA 1.071 54.823 54.000 -0.413 0.000 0.863 194 D CB -0.666 39.816 40.800 -0.530 0.000 0.928 194 D HN 0.244 nan 8.370 nan 0.000 0.458 195 L N 0.220 120.895 121.223 -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 -0.522 0.000 1.117 195 L CA 0.288 54.547 54.840 -0.968 0.000 0.782 195 L CB -0.162 41.483 42.059 -0.691 0.000 0.914 195 L HN 0.034 nan 8.230 nan 0.000 0.441 196 L N -0.923 120.106 121.223 -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 54.941 54.840 -0.164 0.000 0.866 196 L CB -0.311 41.683 42.059 -0.109 0.000 0.980 196 L HN 0.205 nan 8.230 nan 0.000 0.448 197 D N 0.779 121.138 120.400 -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 1.484 42.443 40.800 0.265 0.000 1.153 197 D HN 0.297 nan 8.370 nan 0.000 0.457 198 E N 2.950 123.210 120.200 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 0.071 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 0.189 56.365 56.100 0.126 0.000 0.997 199 R CB -0.065 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 1.758 121.668 119.950 -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 58.307 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 1.267 121.478 120.200 0.019 0.000 2.299 201 E HA 0.699 5.047 4.350 -0.005 0.000 0.265 201 E C -0.991 175.601 176.600 -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 0.265 115.955 115.700 -0.017 0.000 2.558 202 S HA 0.088 4.555 4.470 -0.005 0.000 0.277 202 S C -1.120 173.476 174.600 -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 1.472 121.912 120.400 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 0.334 54.423 54.000 0.148 0.000 0.856 203 D CB -0.285 40.612 40.800 0.161 0.000 0.922 203 D HN 0.394 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 -1.984 173.872 175.800 0.092 0.000 1.164 204 F CA -1.553 56.488 58.000 0.067 0.000 0.924 204 F CB 1.217 40.236 39.000 0.033 0.000 1.348 204 F HN -0.019 nan 8.300 nan 0.000 0.467 205 A N 1.385 124.354 122.820 0.248 0.000 2.604 205 A HA 0.831 5.149 4.320 -0.005 0.000 0.295 205 A C -1.940 175.837 177.584 0.321 0.000 1.067 205 A CA -0.703 51.424 52.037 0.151 0.000 0.683 205 A CB 1.566 20.655 19.000 0.148 0.000 1.281 205 A HN 0.919 nan 8.150 nan 0.000 0.407 206 I N 2.360 123.094 120.570 0.273 0.000 2.563 206 I HA 0.344 4.511 4.170 -0.005 0.000 0.285 206 I C -1.288 174.961 176.117 0.221 0.000 1.123 206 I CA -0.432 60.972 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 3.672 124.067 120.300 0.157 0.000 2.602 207 Y HA 0.858 5.406 4.550 -0.005 0.000 0.330 207 Y C -0.449 175.570 175.900 0.198 0.000 1.114 207 Y CA -1.463 56.728 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 0.559 nan 8.280 nan 0.000 0.502 208 H N -0.274 118.900 119.070 0.172 0.000 3.121 208 H HA 0.368 4.921 4.556 -0.005 0.000 0.337 208 H C -1.822 173.525 175.328 0.031 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 3.796 123.467 119.800 -0.215 0.000 2.399 209 Q HA 0.521 4.858 4.340 -0.005 0.000 0.276 209 Q C -1.284 174.563 176.000 -0.256 0.000 1.098 209 Q CA -1.052 54.688 55.803 -0.106 0.000 0.827 209 Q CB 1.925 30.616 28.738 -0.080 0.000 1.386 209 Q HN 0.745 nan 8.270 nan 0.000 0.443 210 R N 1.793 122.260 120.500 -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 -0.495 55.625 56.100 0.032 0.000 0.900 210 R CB 1.164 31.600 30.300 0.227 0.000 1.223 210 R HN 0.697 nan 8.270 nan 0.000 0.466 211 Y N 0.482 120.756 120.300 -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 58.312 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 -1.807 114.185 115.700 0.487 0.000 2.611 212 S HA 0.172 4.639 4.470 -0.005 0.000 0.270 212 S C -0.540 174.210 174.600 0.249 0.000 1.131 212 S CA -0.413 57.942 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 4.701 4.350 -0.005 0.000 0.249 213 T C 0.164 174.921 174.700 0.094 0.000 1.050 213 T CA -0.057 62.099 62.100 0.094 0.000 0.952 213 T CB -1.457 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 -1.222 117.526 118.700 0.079 0.000 2.853 214 N HA 0.387 5.124 4.740 -0.005 0.000 0.258 214 N C -0.332 175.114 175.510 -0.106 0.000 1.444 214 N CA -0.820 52.259 53.050 0.048 0.000 0.837 214 N CB 1.973 40.528 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 0.304 4.651 4.350 -0.005 0.000 0.261 215 T C -0.765 173.532 174.700 -0.672 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 -0.668 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 -2.407 173.381 175.800 -0.020 0.000 1.114 216 F CA -3.202 54.797 58.000 -0.002 0.000 1.135 216 F CB 0.338 39.345 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 -0.426 176.917 177.300 0.072 0.000 1.354 217 P CA -0.470 62.627 63.100 -0.004 0.000 0.814 217 P CB 1.383 33.028 31.700 -0.091 0.000 0.935 218 T N 2.975 117.561 114.554 0.055 0.000 2.767 218 T HA 0.158 4.505 4.350 -0.005 0.000 0.288 218 T C 0.420 175.181 174.700 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 0.288 nan 8.240 nan 0.000 0.468 219 W N 4.576 125.837 121.300 -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 57.947 57.345 -0.078 0.000 1.260 219 W CB -1.677 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 -0.166 0.000 1.149 220 P CA 1.482 64.410 63.100 -0.287 0.000 0.817 220 P CB -0.216 31.143 31.700 -0.569 0.000 0.785 221 L N -1.978 119.234 121.223 -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 -0.376 54.509 54.840 0.074 0.000 0.851 221 L CB -0.900 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 0.165 122.909 122.820 -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 0.371 19.249 19.000 -0.203 0.000 1.038 222 A HN 0.339 nan 8.150 nan 0.000 0.501 223 Q N -0.121 119.354 119.800 -0.542 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 -2.040 53.285 55.803 -0.797 0.000 0.816 223 Q CB 0.617 28.634 28.738 -1.202 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 0.167 120.117 119.950 -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 -0.354 57.653 58.000 0.012 0.000 1.125 225 F CB -0.099 38.892 39.000 -0.016 0.000 1.543 225 F HN 0.153 nan 8.300 nan 0.000 0.504 226 R N -0.341 120.304 120.500 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 1.876 58.032 56.100 0.094 0.000 0.959 226 R CB -0.162 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 -1.052 118.564 119.600 0.027 0.000 2.279 227 M HA 0.246 4.724 4.480 -0.005 0.000 0.306 227 M C -0.674 175.466 176.300 -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 -0.110 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 5.233 4.340 -0.005 0.000 0.258 228 L C -1.375 175.471 176.870 -0.040 0.000 1.013 228 L CA -0.533 54.174 54.840 -0.221 0.000 0.822 228 L CB 2.275 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 1.193 123.989 122.820 -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 2.567 121.706 119.070 0.114 0.000 2.840 230 H HA 0.359 4.912 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 4.038 122.808 118.700 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 1.399 39.870 38.487 -0.027 0.000 1.115 231 N HN 0.975 nan 8.380 nan 0.000 0.492 232 G N 2.019 110.574 108.800 -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 -0.259 0.000 1.324 232 G CA -0.662 44.275 45.100 -0.272 0.000 0.957 232 G HN 0.593 nan 8.290 nan 0.000 0.481 233 E N -1.313 118.906 120.200 0.031 0.000 2.390 233 E HA 0.695 5.042 4.350 -0.005 0.000 0.277 233 E C -1.113 175.624 176.600 0.229 0.000 0.939 233 E CA -0.694 55.774 56.400 0.114 0.000 0.769 233 E CB 1.910 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 4.676 125.383 120.570 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 0.602 38.753 38.000 0.252 0.000 1.351 234 I HN 0.619 nan 8.210 nan 0.000 0.472 235 N N 2.163 120.894 118.700 0.052 0.000 2.453 235 N HA -0.149 4.588 4.740 -0.005 0.000 0.183 235 N C 1.164 176.658 175.510 -0.025 0.000 1.041 235 N CA 0.617 53.673 53.050 0.010 0.000 0.900 235 N CB 0.096 38.589 38.487 0.011 0.000 0.961 235 N HN 0.380 nan 8.380 nan 0.000 0.443 236 T N 0.170 114.699 114.554 -0.041 0.000 3.273 236 T HA 0.173 4.520 4.350 -0.005 0.000 0.254 236 T C 1.193 175.772 174.700 -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 0.131 nan 8.240 nan 0.000 0.576 237 V N 1.361 121.185 119.914 -0.150 0.000 2.453 237 V HA 0.015 4.132 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 1.637 63.827 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 -0.059 120.248 120.400 -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 0.895 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 0.790 109.448 108.800 -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 1.254 176.032 174.900 -0.203 0.000 1.137 239 G CA -0.106 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 0.783 119.295 118.700 -0.313 0.000 2.106 240 N HA -0.079 4.658 4.740 -0.005 0.000 0.188 240 N C 2.326 177.731 175.510 -0.175 0.000 1.029 240 N CA 0.821 53.575 53.050 -0.494 0.000 0.848 240 N CB -0.521 37.052 38.487 -1.523 0.000 1.007 240 N HN 0.096 nan 8.380 nan 0.000 0.423 241 V N 2.416 122.226 119.914 -0.173 0.000 2.295 241 V HA -0.204 3.913 4.120 -0.005 0.000 0.246 241 V C 1.647 177.707 176.094 -0.056 0.000 1.049 241 V CA 1.565 63.845 62.300 -0.033 0.000 1.024 241 V CB -0.475 31.329 31.823 -0.032 0.000 0.648 241 V HN 0.450 nan 8.190 nan 0.000 0.447 242 N N -1.728 116.856 118.700 -0.192 0.000 2.354 242 N HA -0.160 4.577 4.740 -0.005 0.000 0.179 242 N C 1.653 177.010 175.510 -0.255 0.000 1.021 242 N CA 1.097 53.992 53.050 -0.259 0.000 0.887 242 N CB -0.204 38.062 38.487 -0.367 0.000 0.974 242 N HN 0.565 nan 8.380 nan 0.000 0.437 243 W N 0.964 122.240 121.300 -0.040 0.000 2.611 243 W HA 0.008 4.665 4.660 -0.005 0.000 0.251 243 W C 2.228 178.758 176.519 0.018 0.000 1.265 243 W CA -0.081 57.224 57.345 -0.067 0.000 1.295 243 W CB 0.060 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 0.591 120.358 119.600 0.279 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 -0.173 4.144 4.320 -0.005 0.000 0.204 245 K C 1.636 178.242 176.600 0.011 0.000 1.045 245 K CA 1.392 57.684 56.287 0.007 0.000 0.933 245 K CB -0.330 32.132 32.500 -0.064 0.000 0.736 245 K HN 0.443 nan 8.250 nan 0.000 0.463 246 A N -0.144 122.700 122.820 0.040 0.000 1.984 246 A HA 0.025 4.343 4.320 -0.005 0.000 0.203 246 A C 1.549 179.159 177.584 0.043 0.000 1.292 246 A CA 0.183 52.221 52.037 0.003 0.000 0.782 246 A CB -0.442 18.565 19.000 0.011 0.000 0.924 246 A HN 0.231 nan 8.150 nan 0.000 0.475 247 H N 0.001 119.131 119.070 0.101 0.000 2.431 247 H HA -0.178 4.375 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 1.759 57.850 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 -0.535 119.768 120.200 0.172 0.000 2.028 248 E HA -0.138 4.210 4.350 -0.005 0.000 0.190 248 E C 2.153 178.795 176.600 0.071 0.000 0.984 248 E CA 1.106 57.569 56.400 0.105 0.000 0.800 248 E CB -0.068 29.680 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 1.202 175.921 174.700 0.032 0.000 1.133 249 T CA 1.219 63.330 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 0.256 176.612 176.300 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 0.702 120.364 119.600 0.103 0.000 2.217 251 M HA 0.419 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 0.550 55.926 55.300 0.128 0.000 1.107 251 M CB 0.918 33.592 32.600 0.123 0.000 1.723 251 M HN -0.271 nan 8.290 nan 0.000 0.461 252 E N 2.048 122.360 120.200 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 1.262 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 4.301 123.500 119.070 0.216 0.000 2.710 253 H HA 0.458 5.012 4.556 -0.005 0.000 0.361 253 H C -1.916 173.426 175.328 0.023 0.000 1.175 253 H CA -2.222 53.874 56.048 0.080 0.000 1.206 253 H CB 2.113 31.856 29.762 -0.032 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 1.695 64.702 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 0.288 123.137 122.820 0.048 0.000 2.030 255 A HA -0.242 4.076 4.320 -0.005 0.000 0.226 255 A C 1.883 179.371 177.584 -0.159 0.000 1.282 255 A CA 2.361 54.348 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 -0.343 119.756 119.950 0.249 0.000 2.811 256 F HA 0.358 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 0.067 58.208 58.000 0.234 0.000 1.412 256 F CB -1.177 37.950 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 1.113 46.298 45.100 0.142 0.000 1.002 257 G HN 0.334 nan 8.290 nan 0.000 0.551 258 T N -2.319 112.252 114.554 0.028 0.000 3.100 258 T HA 0.183 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 1.646 63.724 62.100 -0.036 0.000 1.058 258 T CB -0.068 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 0.148 119.311 119.070 0.154 0.000 2.524 259 H HA 0.239 4.793 4.556 -0.005 0.000 0.282 259 H C 2.152 177.535 175.328 0.091 0.000 1.016 259 H CA 0.739 56.872 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 0.180 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 -0.326 4.151 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 1.830 57.205 55.300 0.125 0.000 1.090 260 M CB -0.006 32.695 32.600 0.169 0.000 1.294 260 M HN 0.130 nan 8.290 nan 0.000 0.415 261 Q N 0.271 120.109 119.800 0.065 0.000 2.308 261 Q HA -0.193 4.145 4.340 -0.005 0.000 0.209 261 Q C 1.398 177.411 176.000 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 0.593 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 1.371 177.633 176.300 -0.063 0.000 0.962 262 D CA 0.316 54.321 54.000 0.008 0.000 0.855 262 D CB 0.078 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 0.858 122.027 121.223 -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 -0.096 0.000 1.080 263 L CA 1.663 56.402 54.840 -0.169 0.000 0.754 263 L CB -0.426 41.483 42.059 -0.250 0.000 0.893 263 L HN -0.049 nan 8.230 nan 0.000 0.433 264 K N -0.426 119.948 120.400 -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 0.228 32.731 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 3.847 123.775 119.914 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 -0.867 30.978 31.823 0.036 0.000 0.726 266 V HN 0.505 nan 8.190 nan 0.000 0.507 267 I N 0.523 121.122 120.570 0.048 0.000 2.420 267 I HA 0.468 4.635 4.170 -0.005 0.000 0.282 267 I C 0.838 176.978 176.117 0.039 0.000 1.019 267 I CA -0.291 61.040 61.300 0.050 0.000 1.130 267 I CB 1.172 39.222 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 0.115 175.039 174.900 0.040 0.000 1.205 268 G CA -0.386 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 -0.434 119.504 119.914 0.040 0.000 2.881 269 V HA 0.641 4.758 4.120 -0.005 0.000 0.303 269 V C 1.320 177.440 176.094 0.044 0.000 1.070 269 V CA 0.731 63.052 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 2.381 nan 8.190 nan 0.000 0.482 270 G N 2.822 111.645 108.800 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 0.224 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 1.314 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 -0.228 115.500 115.700 0.046 0.000 2.641 272 S HA 0.039 4.506 4.470 -0.005 0.000 0.261 272 S C 0.849 175.501 174.600 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 1.077 121.560 120.400 0.138 0.000 2.117 273 D HA -0.118 4.519 4.640 -0.005 0.000 0.198 273 D C 1.901 178.322 176.300 0.202 0.000 0.982 273 D CA 1.675 55.782 54.000 0.178 0.000 0.828 273 D CB -1.165 39.757 40.800 0.204 0.000 0.967 273 D HN 0.533 nan 8.370 nan 0.000 0.464 274 S N 0.719 116.578 115.700 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 -0.061 0.000 1.020 274 S CA 0.701 59.062 58.200 0.268 0.000 0.965 274 S CB -0.843 62.687 63.200 0.551 0.000 0.798 274 S HN 0.508 nan 8.310 nan 0.000 0.488 275 G N 2.380 110.985 108.800 -0.325 0.000 2.514 275 G HA2 -0.246 3.712 3.960 -0.005 0.000 0.217 275 G HA3 -0.246 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 45.804 45.100 -1.060 0.000 0.780 275 G HN 0.561 nan 8.290 nan 0.000 0.565 276 S N 0.418 116.024 115.700 -0.157 0.000 2.400 276 S HA -0.117 4.351 4.470 -0.005 0.000 0.232 276 S C 2.139 176.704 174.600 -0.059 0.000 1.025 276 S CA 1.199 59.391 58.200 -0.014 0.000 0.993 276 S CB -0.253 63.042 63.200 0.157 0.000 0.808 276 S HN 0.284 nan 8.310 nan 0.000 0.478 277 L N 2.234 123.394 121.223 -0.104 0.000 2.056 277 L HA -0.057 4.280 4.340 -0.005 0.000 0.207 277 L C 1.886 178.575 176.870 -0.302 0.000 1.078 277 L CA 1.874 56.485 54.840 -0.382 0.000 0.749 277 L CB -0.778 41.133 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 55.774 54.000 -0.152 0.000 0.830 278 D CB -0.151 40.549 40.800 -0.166 0.000 0.959 278 D HN 0.370 nan 8.370 nan 0.000 0.452 279 T N -0.723 113.754 114.554 -0.128 0.000 2.597 279 T HA -0.184 4.163 4.350 -0.005 0.000 0.267 279 T C 2.001 176.658 174.700 -0.072 0.000 1.053 279 T CA 1.954 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 0.662 120.492 119.914 -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 1.686 63.884 62.300 -0.170 0.000 1.014 280 V CB -0.822 30.818 31.823 -0.305 0.000 0.645 280 V HN 0.419 nan 8.190 nan 0.000 0.447 281 F N 1.014 120.762 119.950 -0.337 0.000 2.147 281 F HA -0.261 4.263 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 -0.234 29.334 29.700 -0.220 0.000 0.757 282 E HN 0.266 nan 8.360 nan 0.000 0.448 283 V N 1.386 121.206 119.914 -0.157 0.000 2.332 283 V HA -0.331 3.787 4.120 -0.005 0.000 0.248 283 V C 2.437 178.514 176.094 -0.029 0.000 1.055 283 V CA 1.939 64.203 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 0.369 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 1.505 56.710 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 -0.284 119.501 119.914 -0.216 0.000 2.323 285 V HA -0.169 3.949 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 1.534 57.620 56.100 -0.024 0.000 0.976 286 R CB -1.181 29.093 30.300 -0.043 0.000 0.866 286 R HN 0.549 nan 8.270 nan 0.000 0.449 287 A N -1.698 121.095 122.820 -0.046 0.000 2.251 287 A HA 0.368 4.685 4.320 -0.005 0.000 0.209 287 A C 1.270 178.576 177.584 -0.463 0.000 1.187 287 A CA 0.958 52.744 52.037 -0.419 0.000 0.823 287 A CB 0.119 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 1.511 121.942 120.500 -0.115 0.000 2.349 289 R HA 0.544 4.881 4.340 -0.005 0.000 0.299 289 R C 0.305 176.513 176.300 -0.155 0.000 1.027 289 R CA -0.173 55.855 56.100 -0.119 0.000 0.958 289 R CB 0.863 31.080 30.300 -0.138 0.000 1.047 289 R HN 0.133 nan 8.270 nan 0.000 0.468 290 T N 1.730 116.191 114.554 -0.155 0.000 2.848 290 T HA -0.125 4.222 4.350 -0.005 0.000 0.340 290 T C 1.535 176.053 174.700 -0.304 0.000 1.091 290 T CA 0.632 62.593 62.100 -0.232 0.000 1.123 290 T CB 0.697 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 4.712 127.372 122.820 -0.266 0.000 1.855 291 A HA 0.022 4.340 4.320 -0.005 0.000 0.215 291 A C -0.149 177.282 177.584 -0.256 0.000 1.191 291 A CA 1.097 53.049 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 -0.213 nan 4.420 nan 0.000 0.214 292 P C 1.751 178.843 177.300 -0.347 0.000 1.163 292 P CA 1.383 64.233 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 -1.010 118.372 119.600 -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 1.708 56.844 55.300 -0.274 0.000 1.100 293 M CB -1.304 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 -0.311 119.368 119.914 -0.391 0.000 2.515 294 V HA -0.225 3.892 4.120 -0.005 0.000 0.250 294 V C 2.472 178.336 176.094 -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 0.197 120.463 120.400 -0.224 0.000 2.020 295 K HA -0.202 4.115 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 2.016 58.269 56.287 -0.058 0.000 0.929 295 K CB -0.293 32.192 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 1.732 56.953 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 0.210 119.719 119.600 -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 -1.057 31.448 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 0.522 177.452 176.870 0.101 0.000 1.104 298 L CA -0.178 54.652 54.840 -0.017 0.000 0.866 298 L CB 0.414 42.316 42.059 -0.260 0.000 1.047 298 L HN -0.016 nan 8.230 nan 0.000 0.468 299 V N 1.055 120.990 119.914 0.036 0.000 2.811 299 V HA 0.263 4.381 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 1.441 33.293 31.823 0.048 0.000 1.016 299 V HN -0.028 nan 8.190 nan 0.000 0.496 300 P HA 0.321 nan 4.420 nan 0.000 0.276 300 P C -0.638 176.661 177.300 -0.002 0.000 1.261 300 P CA -0.367 62.721 63.100 -0.019 0.000 0.800 300 P CB 0.629 32.313 31.700 -0.026 0.000 1.066 301 Q N 0.333 120.130 119.800 -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 0.575 29.325 28.738 0.021 0.000 1.193 301 Q HN 0.414 nan 8.270 nan 0.000 0.508 302 A N 1.535 124.369 122.820 0.023 0.000 2.440 302 A HA 0.224 4.541 4.320 -0.005 0.000 0.251 302 A C -0.125 177.470 177.584 0.019 0.000 1.089 302 A CA -0.586 51.462 52.037 0.019 0.000 0.779 302 A CB 0.163 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 3.346 124.577 121.223 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 -1.172 40.892 42.059 0.009 0.000 1.603 303 L HN 0.637 nan 8.230 nan 0.000 0.430 304 T N -0.359 114.201 114.554 0.010 0.000 2.908 304 T HA -0.080 4.267 4.350 -0.005 0.000 0.301 304 T C 1.349 176.046 174.700 -0.005 0.000 1.019 304 T CA 0.717 62.818 62.100 0.002 0.000 1.152 304 T CB 0.955 69.823 68.868 0.002 0.000 0.966 304 T HN 0.476 nan 8.240 nan 0.000 0.540 305 S N 2.700 118.395 115.700 -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 4.477 4.470 -0.005 0.000 0.277 306 S C 0.883 175.429 174.600 -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 63.895 63.200 -0.097 0.000 0.879 306 S HN 0.710 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 0.534 176.443 176.000 -0.151 0.000 0.911 307 Q CA 0.197 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 0.237 114.681 114.554 -0.184 0.000 3.067 308 T HA 0.013 4.360 4.350 -0.005 0.000 0.261 308 T C 0.230 174.880 174.700 -0.083 0.000 1.110 308 T CA 0.654 62.643 62.100 -0.184 0.000 1.113 308 T CB 0.212 68.939 68.868 -0.234 0.000 0.917 308 T HN 0.382 nan 8.240 nan 0.000 0.499 309 T N 3.958 118.465 114.554 -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 1.565 70.413 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 -0.243 62.705 63.100 -0.255 0.000 0.794 310 P CB 0.595 32.003 31.700 -0.486 0.000 0.959 311 D N -0.741 119.615 120.400 -0.073 0.000 2.194 311 D HA -0.123 4.515 4.640 -0.005 0.000 0.204 311 D C 1.523 177.850 176.300 0.046 0.000 0.964 311 D CA 0.816 54.812 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 1.255 119.997 118.700 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 1.504 54.651 53.050 0.162 0.000 0.856 312 N CB -1.227 37.391 38.487 0.218 0.000 1.050 312 N HN 0.474 nan 8.380 nan 0.000 0.423 313 H N 0.664 119.734 119.070 -0.000 0.000 2.357 313 H HA -0.071 4.483 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 1.330 57.356 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 0.321 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 -0.131 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 0.880 57.205 56.287 0.065 0.000 0.930 314 K CB -0.068 32.461 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 -0.190 4.128 4.320 -0.005 0.000 0.215 315 A C 2.033 179.661 177.584 0.072 0.000 1.195 315 A CA 1.357 53.472 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 0.538 121.688 121.223 -0.122 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 1.867 56.402 54.840 -0.508 0.000 0.748 316 L CB -0.818 40.797 42.059 -0.740 0.000 0.891 316 L HN 0.488 nan 8.230 nan 0.000 0.431 317 I N -0.873 119.627 120.570 -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 0.443 nan 8.210 nan 0.000 0.408 318 Q N -0.100 119.716 119.800 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 2.085 57.928 55.803 0.066 0.000 0.850 318 Q CB -0.330 28.478 28.738 0.118 0.000 0.901 318 Q HN 0.535 nan 8.270 nan 0.000 0.422 319 Y N 0.571 120.879 120.300 0.013 0.000 2.070 319 Y HA -0.347 4.200 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 1.570 59.709 58.100 0.065 0.000 1.125 319 Y CB -0.816 37.666 38.460 0.036 0.000 0.975 319 Y HN 0.157 nan 8.280 nan 0.000 0.492 320 C N 1.439 120.633 119.300 -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 1.414 120.040 118.700 -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 -0.347 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 0.360 115.983 115.700 -0.129 0.000 2.357 322 S HA -0.014 4.454 4.470 -0.005 0.000 0.221 322 S C 2.308 176.821 174.600 -0.146 0.000 1.031 322 S CA 0.647 58.779 58.200 -0.113 0.000 0.982 322 S CB -0.648 62.517 63.200 -0.058 0.000 0.853 322 S HN 0.014 nan 8.310 nan 0.000 0.458 323 V N 1.028 120.792 119.914 -0.251 0.000 2.283 323 V HA 0.166 4.283 4.120 -0.005 0.000 0.243 323 V C 0.944 176.954 176.094 -0.140 0.000 1.039 323 V CA 1.502 63.675 62.300 -0.212 0.000 1.016 323 V CB -0.494 31.125 31.823 -0.341 0.000 0.650 323 V HN 0.529 nan 8.190 nan 0.000 0.449 324 M N 0.059 119.570 119.600 -0.149 0.000 2.395 324 M HA 0.458 4.935 4.480 -0.005 0.000 0.307 324 M C -1.185 175.109 176.300 -0.010 0.000 1.091 324 M CA -0.498 54.749 55.300 -0.088 0.000 0.919 324 M CB 1.965 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 5.132 125.360 120.200 0.048 0.000 2.146 325 E HA 0.487 4.835 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 29.744 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 -1.055 176.283 177.300 0.063 0.000 1.197 326 P CA 0.330 63.514 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 1.875 123.188 121.300 0.022 0.000 2.347 327 W HA 0.263 4.920 4.660 -0.005 0.000 0.321 327 W C 0.008 176.539 176.519 0.021 0.000 0.971 327 W CA 0.124 57.485 57.345 0.026 0.000 1.508 327 W CB 0.367 29.830 29.460 0.005 0.000 1.299 327 W HN 0.184 nan 8.180 nan 0.000 0.399 328 D N 0.979 121.432 120.400 0.088 0.000 2.277 328 D HA 0.736 5.374 4.640 -0.005 0.000 0.250 328 D C 0.374 176.724 176.300 0.084 0.000 1.032 328 D CA 0.151 54.200 54.000 0.082 0.000 0.947 328 D CB 1.941 42.769 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 -3.099 171.856 174.900 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 0.475 nan 4.420 nan 0.000 0.268 330 P C -0.238 177.172 177.300 0.184 0.000 1.204 330 P CA 0.569 63.705 63.100 0.060 0.000 0.768 330 P CB 1.393 33.104 31.700 0.017 0.000 0.842 331 A N 2.543 125.474 122.820 0.184 0.000 2.541 331 A HA 0.616 4.933 4.320 -0.005 0.000 0.285 331 A C -0.884 176.824 177.584 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 19.743 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 0.789 5.107 4.320 -0.005 0.000 0.309 332 A C -0.509 177.189 177.584 0.190 0.000 1.226 332 A CA -0.225 51.907 52.037 0.158 0.000 0.853 332 A CB 0.285 19.357 19.000 0.121 0.000 1.146 332 A HN 0.892 nan 8.150 nan 0.000 0.518 333 L N 1.825 123.119 121.223 0.118 0.000 2.381 333 L HA 0.766 5.103 4.340 -0.005 0.000 0.268 333 L C 0.121 176.984 176.870 -0.012 0.000 0.997 333 L CA -0.701 54.176 54.840 0.062 0.000 0.818 333 L CB 2.237 44.285 42.059 -0.019 0.000 1.310 333 L HN 0.768 nan 8.230 nan 0.000 0.416 334 A N 3.973 126.769 122.820 -0.040 0.000 2.343 334 A HA 0.939 5.256 4.320 -0.005 0.000 0.316 334 A C -0.778 176.685 177.584 -0.201 0.000 1.104 334 A CA -0.426 51.538 52.037 -0.122 0.000 0.768 334 A CB 1.596 20.592 19.000 -0.006 0.000 1.213 334 A HN 0.750 nan 8.150 nan 0.000 0.456 335 M N 0.731 120.165 119.600 -0.276 0.000 2.569 335 M HA 0.660 5.137 4.480 -0.005 0.000 0.279 335 M C -0.654 175.482 176.300 -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 -0.253 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 0.683 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 2.775 123.187 120.400 0.020 0.000 2.453 337 D HA 0.400 5.037 4.640 -0.005 0.000 0.282 337 D C 1.588 177.872 176.300 -0.026 0.000 1.222 337 D CA 0.149 54.176 54.000 0.044 0.000 1.079 337 D CB -0.213 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 0.102 45.162 45.100 -0.067 0.000 0.784 338 G HN 0.446 nan 8.290 nan 0.000 0.535 339 R N -1.655 118.808 120.500 -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 30.606 30.300 -0.081 0.000 1.115 339 R HN 0.250 nan 8.270 nan 0.000 0.571 340 W N 0.681 121.869 121.300 -0.186 0.000 2.512 340 W HA 0.474 5.132 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 -0.529 56.693 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 3.843 123.741 119.914 -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 1.227 32.966 31.823 -0.140 0.000 0.991 341 V HN 0.303 nan 8.190 nan 0.000 0.427 342 V N 2.811 122.566 119.914 -0.264 0.000 2.735 342 V HA 0.835 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 61.575 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 1.306 109.766 108.800 -0.567 0.000 2.417 343 G HA2 0.695 4.652 3.960 -0.005 0.000 0.320 343 G HA3 0.695 4.652 3.960 -0.005 0.000 0.320 343 G C -0.260 174.566 174.900 -0.124 0.000 1.204 343 G CA -0.225 44.612 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 -1.170 173.756 174.900 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 0.901 120.531 119.600 0.049 0.000 2.591 345 M HA 0.458 4.935 4.480 -0.005 0.000 0.306 345 M C -0.229 176.106 176.300 0.059 0.000 1.190 345 M CA -0.865 54.476 55.300 0.068 0.000 0.889 345 M CB 1.882 34.527 32.600 0.075 0.000 1.728 345 M HN 0.749 nan 8.290 nan 0.000 0.458 346 D N 1.603 122.044 120.400 0.069 0.000 2.346 346 D HA 0.139 4.777 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 0.104 54.140 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 -1.226 119.299 120.500 0.042 0.000 2.280 347 R HA 0.101 4.439 4.340 -0.005 0.000 0.207 347 R C 0.237 176.557 176.300 0.034 0.000 1.043 347 R CA 0.588 56.710 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 0.344 119.060 118.700 0.026 0.000 2.234 348 N HA 0.148 4.886 4.740 -0.005 0.000 0.227 348 N C -0.131 175.399 175.510 0.033 0.000 1.151 348 N CA 0.527 53.589 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 1.155 109.986 108.800 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 0.669 175.619 174.900 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 -1.319 119.926 121.223 0.037 0.000 2.558 350 L HA 0.241 4.578 4.340 -0.005 0.000 0.225 350 L C 1.412 178.366 176.870 0.139 0.000 1.128 350 L CA 0.403 55.239 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 0.409 120.988 120.500 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 -1.827 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 0.314 nan 4.420 nan 0.000 0.278 352 P C -0.865 176.463 177.300 0.046 0.000 1.238 352 P CA -0.452 62.668 63.100 0.035 0.000 0.794 352 P CB 1.167 32.857 31.700 -0.017 0.000 0.955 353 M N 2.359 121.988 119.600 0.048 0.000 2.356 353 M HA 0.276 4.753 4.480 -0.005 0.000 0.215 353 M C -1.344 174.998 176.300 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 2.913 123.430 120.500 0.029 0.000 2.643 354 R HA 0.777 5.115 4.340 -0.005 0.000 0.272 354 R C -1.419 174.906 176.300 0.042 0.000 0.995 354 R CA -0.414 55.666 56.100 -0.033 0.000 1.032 354 R CB 1.681 31.946 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 -1.279 174.612 175.900 -0.014 0.000 1.108 355 Y CA -1.002 57.081 58.100 -0.027 0.000 1.033 355 Y CB 1.354 39.827 38.460 0.022 0.000 1.318 355 Y HN 0.364 nan 8.280 nan 0.000 0.459 356 T N 4.414 119.160 114.554 0.319 0.000 2.863 356 T HA 0.666 5.013 4.350 -0.005 0.000 0.285 356 T C -0.827 173.992 174.700 0.199 0.000 1.009 356 T CA -0.573 61.654 62.100 0.212 0.000 0.989 356 T CB 1.029 69.945 68.868 0.080 0.000 1.004 356 T HN 0.613 nan 8.240 nan 0.000 0.455 357 I N 3.245 123.916 120.570 0.169 0.000 2.433 357 I HA 0.415 4.582 4.170 -0.005 0.000 0.292 357 I C 0.753 176.911 176.117 0.067 0.000 1.001 357 I CA -0.763 60.599 61.300 0.102 0.000 1.119 357 I CB 2.115 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 -1.432 113.135 114.554 0.021 0.000 2.904 359 T HA -0.087 4.260 4.350 -0.005 0.000 0.267 359 T C 1.298 176.008 174.700 0.016 0.000 1.059 359 T CA 1.153 63.264 62.100 0.017 0.000 1.137 359 T CB -0.751 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 1.859 122.269 120.400 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 54.642 54.000 0.015 0.000 0.917 360 D CB -1.121 39.688 40.800 0.014 0.000 0.890 360 D HN 0.716 nan 8.370 nan 0.000 0.532 361 G N -0.322 108.490 108.800 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 -0.404 174.513 174.900 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 -0.359 120.884 121.223 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 1.912 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 2.234 122.836 120.570 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 1.007 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 0.517 4.684 4.170 -0.005 0.000 0.286 364 I C 0.566 176.503 176.117 -0.300 0.000 1.007 364 I CA -0.428 60.787 61.300 -0.142 0.000 1.167 364 I CB 1.510 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 3.503 111.777 108.800 -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 -0.402 174.197 174.900 -0.501 0.000 1.133 365 G CA -0.599 43.886 45.100 -1.025 0.000 0.891 365 G HN 0.813 nan 8.290 nan 0.000 0.485 366 G N -0.909 107.799 108.800 -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 0.206 175.113 174.900 0.011 0.000 1.360 366 G CA 0.595 45.667 45.100 -0.046 0.000 0.783 366 G HN 0.649 nan 8.290 nan 0.000 0.484 367 S N -1.082 114.629 115.700 0.018 0.000 2.510 367 S HA 0.212 4.679 4.470 -0.005 0.000 0.230 367 S C 0.897 175.496 174.600 -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 -0.498 119.705 120.200 0.005 0.000 2.405 368 E HA 0.395 4.743 4.350 -0.005 0.000 0.249 368 E C 0.117 176.711 176.600 -0.010 0.000 1.028 368 E CA -0.412 55.980 56.400 -0.012 0.000 0.897 368 E CB 0.827 30.523 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 68.669 68.868 -0.038 0.000 1.040 369 T HN 0.538 nan 8.240 nan 0.000 0.492 370 G N 1.541 110.334 108.800 -0.011 0.000 3.943 370 G HA2 0.355 4.313 3.960 -0.005 0.000 0.275 370 G HA3 0.355 4.313 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 4.634 4.480 -0.005 0.000 0.258 371 M C -0.105 176.170 176.300 -0.042 0.000 1.119 371 M CA 0.767 56.047 55.300 -0.032 0.000 1.111 371 M CB 0.727 33.325 32.600 -0.005 0.000 1.390 371 M HN 0.033 nan 8.290 nan 0.000 0.475 372 V N 1.126 121.022 119.914 -0.030 0.000 2.655 372 V HA 0.198 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 60.964 62.300 -0.035 0.000 0.899 372 V CB 2.411 34.212 31.823 -0.036 0.000 1.014 372 V HN 0.138 nan 8.190 nan 0.000 0.429 373 K N 5.284 125.674 120.400 -0.017 0.000 2.489 373 K HA 0.396 4.714 4.320 -0.005 0.000 0.278 373 K C -1.060 175.537 176.600 -0.005 0.000 1.000 373 K CA 0.314 56.596 56.287 -0.008 0.000 1.012 373 K CB 0.352 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 2.808 123.377 120.570 -0.001 0.000 2.692 374 I HA 0.071 4.239 4.170 -0.005 0.000 0.293 374 I C -0.925 175.195 176.117 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 4.263 124.666 120.400 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 1.592 121.795 120.200 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 0.996 57.399 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 1.319 115.876 114.554 0.005 0.000 2.755 377 T HA -0.229 4.119 4.350 -0.005 0.000 0.266 377 T C 1.339 176.044 174.700 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 -0.058 119.747 119.800 0.009 0.000 2.188 378 Q HA 0.257 4.594 4.340 -0.005 0.000 0.212 378 Q C -0.520 175.489 176.000 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 1.043 177.151 176.094 0.023 0.000 1.043 379 V CA -0.055 62.258 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 4.630 4.170 -0.005 0.000 0.300 380 I C 0.560 176.702 176.117 0.041 0.000 1.260 380 I CA 0.559 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 1.674 121.909 120.200 0.058 0.000 2.451 381 E HA 0.333 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 -0.733 55.710 56.400 0.071 0.000 0.808 381 E CB 1.445 31.218 29.700 0.123 0.000 1.242 381 E HN 0.188 nan 8.360 nan 0.000 0.412 382 K N 2.618 123.014 120.400 -0.006 0.000 2.413 382 K HA 0.586 4.903 4.320 -0.005 0.000 0.257 382 K C -0.299 176.155 176.600 -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 2.004 110.413 108.800 -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 -2.056 118.084 120.500 -0.601 0.000 2.728 384 R HA 0.560 4.897 4.340 -0.005 0.000 0.274 384 R C -2.164 174.149 176.300 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 1.234 122.524 121.223 0.113 0.000 2.307 385 L HA 0.639 4.976 4.340 -0.005 0.000 0.284 385 L C 0.619 177.543 176.870 0.090 0.000 1.023 385 L CA 0.026 54.951 54.840 0.141 0.000 0.810 385 L CB 1.287 43.441 42.059 0.159 0.000 1.231 385 L HN 0.969 nan 8.230 nan 0.000 0.423 386 G N 3.335 112.182 108.800 0.079 0.000 2.642 386 G HA2 0.633 4.590 3.960 -0.005 0.000 0.291 386 G HA3 0.633 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 -1.390 43.752 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 1.000 178.336 177.300 0.061 0.000 1.195 387 P CA 1.459 64.599 63.100 0.066 0.000 0.768 387 P CB 0.839 32.578 31.700 0.065 0.000 0.838 388 G N 1.450 110.282 108.800 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 0.114 175.037 174.900 0.040 0.000 0.981 388 G CA 0.481 45.606 45.100 0.042 0.000 0.658 388 G HN 0.647 nan 8.290 nan 0.000 0.539 389 E N 0.299 120.532 120.200 0.055 0.000 2.312 389 E HA 0.692 5.040 4.350 -0.005 0.000 0.259 389 E C 0.908 177.535 176.600 0.045 0.000 1.122 389 E CA -0.346 56.087 56.400 0.055 0.000 0.922 389 E CB 0.734 30.483 29.700 0.081 0.000 1.109 389 E HN 0.636 nan 8.360 nan 0.000 0.442 390 M N 0.122 119.741 119.600 0.032 0.000 2.719 390 M HA 0.720 5.197 4.480 -0.005 0.000 0.291 390 M C -1.181 175.138 176.300 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 0.727 121.292 120.570 -0.008 0.000 2.752 391 I HA 0.869 5.036 4.170 -0.005 0.000 0.295 391 I C -1.995 174.091 176.117 -0.050 0.000 1.219 391 I CA -0.297 61.000 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 5.826 128.661 122.820 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 1.616 121.557 119.914 0.045 0.000 2.555 393 V HA 0.440 4.557 4.120 -0.005 0.000 0.302 393 V C -0.874 175.025 176.094 -0.325 0.000 1.038 393 V CA -0.554 61.714 62.300 -0.053 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 3.912 123.932 120.400 -0.632 0.000 2.428 394 D HA 0.282 4.920 4.640 -0.005 0.000 0.221 394 D C 0.906 176.891 176.300 -0.525 0.000 1.123 394 D CA -0.175 53.160 54.000 -1.109 0.000 0.869 394 D CB 1.299 41.252 40.800 -1.412 0.000 1.032 394 D HN 0.452 nan 8.370 nan 0.000 0.506 395 L N 2.700 123.676 121.223 -0.412 0.000 2.265 395 L HA -0.157 4.180 4.340 -0.005 0.000 0.215 395 L C 2.268 179.031 176.870 -0.177 0.000 1.117 395 L CA 0.829 55.542 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 -0.450 119.208 119.800 -0.237 0.000 2.123 396 Q HA -0.082 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 1.663 57.377 55.803 -0.149 0.000 0.845 396 Q CB 0.107 28.764 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 0.274 4.741 4.470 -0.005 0.000 0.221 397 S C 0.902 175.460 174.600 -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 -0.363 120.019 120.400 -0.030 0.000 2.427 399 K HA 0.622 4.939 4.320 -0.005 0.000 0.252 399 K C -0.577 176.091 176.600 0.113 0.000 0.931 399 K CA -1.215 55.091 56.287 0.032 0.000 0.793 399 K CB 2.597 35.152 32.500 0.092 0.000 1.211 399 K HN 0.166 nan 8.250 nan 0.000 0.426 400 L N 2.501 123.766 121.223 0.071 0.000 2.307 400 L HA 0.402 4.739 4.340 -0.005 0.000 0.282 400 L C -1.566 175.407 176.870 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 4.541 124.852 120.300 0.019 0.000 2.328 401 Y HA 0.567 5.114 4.550 -0.005 0.000 0.336 401 Y C 0.395 176.312 175.900 0.027 0.000 0.960 401 Y CA -0.614 57.513 58.100 0.045 0.000 1.134 401 Y CB 1.298 39.816 38.460 0.096 0.000 1.166 401 Y HN 0.584 nan 8.280 nan 0.000 0.464 402 R N 1.040 121.620 120.500 0.133 0.000 2.649 402 R HA 0.039 4.376 4.340 -0.005 0.000 0.270 402 R C 1.232 177.605 176.300 0.123 0.000 1.105 402 R CA -0.282 55.882 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 1.162 121.628 120.400 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 2.292 178.690 176.300 0.163 0.000 1.132 404 R CA 2.211 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 0.052 nan 8.270 nan 0.000 0.430 405 E N 0.643 120.925 120.200 0.137 0.000 2.114 405 E HA -0.249 4.099 4.350 -0.005 0.000 0.199 405 E C 1.803 178.560 176.600 0.261 0.000 1.008 405 E CA 1.554 58.039 56.400 0.141 0.000 0.810 405 E CB -0.426 29.300 29.700 0.043 0.000 0.739 405 E HN 0.335 nan 8.360 nan 0.000 0.456 406 L N 0.658 122.044 121.223 0.271 0.000 2.093 406 L HA -0.106 4.231 4.340 -0.005 0.000 0.208 406 L C 1.666 178.578 176.870 0.070 0.000 1.085 406 L CA 1.752 56.742 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 -0.520 119.845 120.400 -0.060 0.000 2.155 407 K HA -0.107 4.210 4.320 -0.005 0.000 0.203 407 K C 1.670 178.070 176.600 -0.333 0.000 1.052 407 K CA 1.122 57.202 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 0.407 120.792 120.400 -0.025 0.000 2.097 408 D HA -0.166 4.471 4.640 -0.005 0.000 0.195 408 D C 1.876 178.252 176.300 0.127 0.000 0.989 408 D CA 1.258 55.343 54.000 0.141 0.000 0.827 408 D CB -0.308 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 -0.150 118.970 119.070 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 1.441 57.548 56.048 0.099 0.000 1.302 409 H CB -0.175 29.693 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 4.314 4.340 -0.005 0.000 0.209 410 L C 2.789 179.705 176.870 0.076 0.000 1.094 410 L CA 1.328 56.170 54.840 0.004 0.000 0.763 410 L CB -0.850 41.137 42.059 -0.120 0.000 0.908 410 L HN 0.442 nan 8.230 nan 0.000 0.437 411 A N -1.161 121.679 122.820 0.033 0.000 1.978 411 A HA -0.238 4.079 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 2.335 54.479 52.037 0.178 0.000 0.636 411 A CB -1.003 18.083 19.000 0.143 0.000 0.810 411 A HN 0.397 nan 8.150 nan 0.000 0.448 412 T N 0.341 114.935 114.554 0.068 0.000 2.962 412 T HA -0.008 4.339 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 0.849 62.918 62.100 -0.053 0.000 1.127 412 T CB -0.270 68.523 68.868 -0.126 0.000 0.883 412 T HN 0.342 nan 8.240 nan 0.000 0.493 413 L N -0.198 120.980 121.223 -0.075 0.000 2.056 413 L HA 0.019 4.356 4.340 -0.005 0.000 0.207 413 L C 1.040 177.633 176.870 -0.463 0.000 1.078 413 L CA 1.259 55.994 54.840 -0.177 0.000 0.749 413 L CB -0.322 41.738 42.059 0.002 0.000 0.901 413 L HN 0.207 nan 8.230 nan 0.000 0.433 414 K N -1.102 118.705 120.400 -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 0.213 31.184 32.500 -2.547 0.000 1.374 414 K HN -0.320 nan 8.250 nan 0.000 0.459 415 P HA 0.192 nan 4.420 nan 0.000 0.219 415 P C 0.124 176.842 177.300 -0.971 0.000 1.832 415 P CA -0.356 62.209 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 1.265 122.209 121.300 -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 1.758 58.864 57.345 -0.399 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 0.242 120.719 120.400 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 55.394 54.000 0.142 0.000 0.837 417 D CB -1.267 39.586 40.800 0.088 0.000 0.985 417 D HN -0.111 nan 8.370 nan 0.000 0.448 418 K N -0.458 120.000 120.400 0.097 0.000 2.248 418 K HA -0.217 4.101 4.320 -0.005 0.000 0.208 418 K C 1.714 178.499 176.600 0.308 0.000 1.044 418 K CA 1.388 57.770 56.287 0.159 0.000 0.933 418 K CB -0.437 32.146 32.500 0.138 0.000 0.723 418 K HN 0.408 nan 8.250 nan 0.000 0.475 419 W N -0.662 120.661 121.300 0.039 0.000 2.762 419 W HA 0.100 4.757 4.660 -0.005 0.000 0.265 419 W C 2.134 178.734 176.519 0.135 0.000 1.263 419 W CA -0.531 56.856 57.345 0.070 0.000 1.411 419 W CB -0.838 28.659 29.460 0.063 0.000 1.065 419 W HN -0.221 nan 8.180 nan 0.000 0.609 420 V N 0.523 120.676 119.914 0.399 0.000 2.407 420 V HA -0.201 3.916 4.120 -0.005 0.000 0.245 420 V C 1.801 178.013 176.094 0.197 0.000 1.041 420 V CA 1.673 64.154 62.300 0.302 0.000 1.040 420 V CB -0.260 31.727 31.823 0.275 0.000 0.671 420 V HN 0.056 nan 8.190 nan 0.000 0.455 421 Q N 0.024 119.917 119.800 0.154 0.000 2.615 421 Q HA -0.111 4.226 4.340 -0.005 0.000 0.220 421 Q C 1.254 177.294 176.000 0.066 0.000 0.981 421 Q CA 0.564 56.413 55.803 0.077 0.000 0.939 421 Q CB -0.289 28.488 28.738 0.066 0.000 0.982 421 Q HN 0.590 nan 8.270 nan 0.000 0.550 422 N N 0.282 119.043 118.700 0.101 0.000 2.268 422 N HA 0.020 4.758 4.740 -0.005 0.000 0.204 422 N C -0.652 174.905 175.510 0.077 0.000 1.124 422 N CA 0.221 53.316 53.050 0.074 0.000 0.838 422 N CB 0.735 39.264 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 0.221 174.982 174.700 0.103 0.000 0.990 423 T CA -0.232 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 3.124 117.752 114.554 0.122 0.000 2.747 424 T HA 0.167 4.515 4.350 -0.005 0.000 0.301 424 T C 0.107 174.897 174.700 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 4.239 123.287 119.070 -0.036 0.000 3.109 425 H HA 0.165 4.718 4.556 -0.005 0.000 0.266 425 H C 0.903 176.176 175.328 -0.091 0.000 1.334 425 H CA -0.642 55.375 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 0.140 176.958 176.870 -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 0.471 120.859 120.400 -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 0.573 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 2.340 178.948 176.600 0.013 0.000 1.000 428 E CA 0.613 57.025 56.400 0.019 0.000 0.803 428 E CB -0.245 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 0.725 121.951 121.223 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 1.736 64.038 62.300 0.003 0.000 1.073 430 V CB -0.268 31.548 31.823 -0.013 0.000 0.699 430 V HN 0.538 nan 8.190 nan 0.000 0.463 431 K N -0.076 120.334 120.400 0.017 0.000 2.025 431 K HA -0.169 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 1.934 58.233 56.287 0.020 0.000 0.933 431 K CB -0.395 32.115 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 -0.643 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 0.417 123.256 122.820 0.032 0.000 2.076 433 A HA -0.091 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 2.163 54.222 52.037 0.037 0.000 0.653 433 A CB -0.796 18.233 19.000 0.047 0.000 0.801 433 A HN 0.489 nan 8.150 nan 0.000 0.455 434 S N -0.477 115.242 115.700 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 59.231 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 1.049 122.282 121.223 0.016 0.000 2.265 435 L HA -0.016 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 1.211 56.059 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 0.357 120.769 120.400 0.019 0.000 2.487 436 K HA 0.082 4.399 4.320 -0.005 0.000 0.192 436 K C 0.187 176.798 176.600 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 32.781 32.500 0.024 0.000 0.824 436 K HN 0.321 nan 8.250 nan 0.000 0.510 437 G N 2.022 110.830 108.800 0.014 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 -1.210 173.693 174.900 0.006 0.000 1.219 437 G CA -0.885 44.220 45.100 0.007 0.000 1.257 437 G HN 0.089 nan 8.290 nan 0.000 0.609 438 E N 2.385 122.581 120.200 -0.007 0.000 2.606 438 E HA 0.099 4.447 4.350 -0.005 0.000 0.248 438 E C -1.652 174.944 176.600 -0.008 0.000 1.005 438 E CA -0.301 56.096 56.400 -0.006 0.000 0.946 438 E CB 1.229 30.913 29.700 -0.027 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 -0.563 176.742 177.300 0.008 0.000 1.261 439 P CA -0.508 62.597 63.100 0.008 0.000 0.821 439 P CB 1.575 33.284 31.700 0.015 0.000 1.013 440 S N 0.709 116.417 115.700 0.012 0.000 2.536 440 S HA 0.490 4.958 4.470 -0.005 0.000 0.298 440 S C -0.500 174.112 174.600 0.019 0.000 1.083 440 S CA -0.522 57.689 58.200 0.019 0.000 0.995 440 S CB 0.688 63.903 63.200 0.025 0.000 1.058 440 S HN 0.365 nan 8.310 nan 0.000 0.488 441 D N 2.436 122.849 120.400 0.021 0.000 2.602 441 D HA 0.251 4.888 4.640 -0.005 0.000 0.265 441 D C -0.670 175.642 176.300 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 1.249 120.864 119.600 0.026 0.000 2.598 442 M HA 0.255 4.732 4.480 -0.005 0.000 0.317 442 M C -0.741 175.569 176.300 0.016 0.000 1.179 442 M CA -0.862 54.452 55.300 0.023 0.000 0.936 442 M CB 2.713 35.334 32.600 0.035 0.000 1.713 442 M HN -0.152 nan 8.290 nan 0.000 0.460 443 D N 2.045 122.448 120.400 0.006 0.000 2.193 443 D HA 0.154 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 1.777 42.576 40.800 -0.003 0.000 1.148 443 D HN 0.704 nan 8.370 nan 0.000 0.464 444 K N 2.417 122.816 120.400 -0.001 0.000 2.227 444 K HA -0.327 3.990 4.320 -0.005 0.000 0.208 444 K C 1.664 178.248 176.600 -0.027 0.000 1.045 444 K CA 2.142 58.423 56.287 -0.008 0.000 0.931 444 K CB -0.313 32.185 32.500 -0.004 0.000 0.721 444 K HN 0.519 nan 8.250 nan 0.000 0.469 445 A N 0.424 123.226 122.820 -0.031 0.000 1.972 445 A HA -0.184 4.133 4.320 -0.005 0.000 0.219 445 A C 2.048 179.588 177.584 -0.074 0.000 1.169 445 A CA 1.697 53.703 52.037 -0.051 0.000 0.635 445 A CB -0.430 18.542 19.000 -0.046 0.000 0.810 445 A HN 0.607 nan 8.150 nan 0.000 0.446 446 E N -0.796 119.369 120.200 -0.057 0.000 2.014 446 E HA -0.108 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 0.728 57.087 56.400 -0.069 0.000 0.807 446 E CB -0.212 29.471 29.700 -0.030 0.000 0.770 446 E HN 0.328 nan 8.360 nan 0.000 0.451 447 L N 2.151 123.354 121.223 -0.034 0.000 2.064 447 L HA -0.337 4.000 4.340 -0.005 0.000 0.234 447 L C 2.129 178.962 176.870 -0.060 0.000 1.103 447 L CA 2.036 56.861 54.840 -0.026 0.000 0.824 447 L CB -1.067 40.989 42.059 -0.005 0.000 0.919 447 L HN 0.201 nan 8.230 nan 0.000 0.447 448 R N -0.663 119.797 120.500 -0.067 0.000 2.127 448 R HA -0.204 4.134 4.340 -0.005 0.000 0.238 448 R C 2.188 178.396 176.300 -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 29.753 30.300 -0.068 0.000 0.865 448 R HN 0.637 nan 8.270 nan 0.000 0.447 449 R N 0.905 121.279 120.500 -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 -0.121 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 4.214 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 2.276 58.208 56.100 -0.281 0.000 0.895 450 R CB -0.646 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 0.284 119.986 119.800 -0.163 0.000 2.208 451 Q HA -0.383 3.954 4.340 -0.005 0.000 0.219 451 Q C 2.150 178.080 176.000 -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 0.152 119.847 119.800 -0.176 0.000 2.170 452 Q HA -0.111 4.226 4.340 -0.005 0.000 0.203 452 Q C 1.876 177.739 176.000 -0.230 0.000 0.976 452 Q CA 1.620 57.321 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 -0.204 122.406 122.820 -0.349 0.000 1.883 453 A HA -0.123 4.195 4.320 -0.005 0.000 0.217 453 A C 0.948 178.299 177.584 -0.389 0.000 1.186 453 A CA 1.368 53.168 52.037 -0.394 0.000 0.624 453 A CB -0.677 17.979 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 1.757 177.492 175.800 -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 0.286 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 0.700 175.693 174.900 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 -0.345 120.969 121.223 0.152 0.000 2.483 456 L HA 0.405 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 1.152 56.085 54.840 0.156 0.000 0.825 456 L CB 0.230 42.369 42.059 0.134 0.000 1.096 456 L HN 0.561 nan 8.230 nan 0.000 0.512 457 T N -2.530 112.108 114.554 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 0.127 0.000 1.126 457 T CA -0.847 61.328 62.100 0.125 0.000 1.040 457 T CB 1.281 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 1.316 56.675 55.300 0.099 0.000 1.140 458 M CB -0.333 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 0.374 120.676 120.200 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 1.610 58.143 56.400 0.223 0.000 0.810 459 E CB -0.064 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 -0.582 119.971 120.400 0.254 0.000 2.178 460 D HA -0.149 4.488 4.640 -0.005 0.000 0.201 460 D C 1.738 178.154 176.300 0.192 0.000 0.980 460 D CA 1.056 55.209 54.000 0.254 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 -0.478 119.219 119.600 0.161 0.000 2.534 461 M HA 0.089 4.566 4.480 -0.005 0.000 0.263 461 M C 1.885 178.287 176.300 0.170 0.000 1.152 461 M CA 0.486 55.880 55.300 0.157 0.000 1.145 461 M CB -0.028 32.646 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 0.340 30.070 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 2.160 179.032 176.870 0.003 0.000 1.077 463 L CA 1.190 56.042 54.840 0.020 0.000 0.747 463 L CB -0.026 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 -2.582 118.010 120.570 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 0.143 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 -0.163 4.391 4.556 -0.005 0.000 0.289 466 H C -0.776 174.688 175.328 0.228 0.000 1.100 466 H CA 3.310 59.517 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 0.285 nan 8.280 nan 0.000 0.481 467 P HA -0.145 nan 4.420 nan 0.000 0.218 467 P C 1.621 178.944 177.300 0.037 0.000 1.149 467 P CA 1.578 64.740 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 -1.002 118.628 119.600 0.051 0.000 2.086 468 M HA -0.147 4.330 4.480 -0.005 0.000 0.261 468 M C 1.862 178.158 176.300 -0.007 0.000 1.067 468 M CA 1.795 57.117 55.300 0.038 0.000 1.116 468 M CB -0.659 32.004 32.600 0.104 0.000 1.348 468 M HN -0.228 nan 8.290 nan 0.000 0.407 469 V N -0.392 119.476 119.914 -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 2.049 64.175 62.300 -0.290 0.000 1.035 469 V CB -0.892 30.488 31.823 -0.738 0.000 0.658 469 V HN 0.519 nan 8.190 nan 0.000 0.452 470 E N 0.361 120.438 120.200 -0.205 0.000 2.006 470 E HA -0.233 4.114 4.350 -0.005 0.000 0.192 470 E C 1.805 178.401 176.600 -0.007 0.000 0.993 470 E CA 1.652 58.027 56.400 -0.042 0.000 0.808 470 E CB -0.054 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 -1.059 119.347 120.400 0.011 0.000 2.289 471 D HA 0.055 4.692 4.640 -0.005 0.000 0.207 471 D C 0.603 176.903 176.300 0.001 0.000 0.966 471 D CA 1.017 55.030 54.000 0.022 0.000 0.868 471 D CB 0.365 41.190 40.800 0.041 0.000 0.943 471 D HN 0.391 nan 8.370 nan 0.000 0.514 472 G N 1.258 110.047 108.800 -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 0.500 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 -1.000 119.386 120.400 -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 1.298 33.802 32.500 0.007 0.000 1.539 473 K HN 0.432 nan 8.250 nan 0.000 0.379 474 E N 0.303 120.501 120.200 -0.003 0.000 2.187 474 E HA 0.589 4.937 4.350 -0.005 0.000 0.268 474 E C -0.793 175.808 176.600 0.002 0.000 0.896 474 E CA -0.998 55.402 56.400 0.001 0.000 0.766 474 E CB 1.771 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 5.434 128.253 122.820 -0.002 0.000 2.520 475 A HA -0.055 4.262 4.320 -0.005 0.000 0.279 475 A C 0.081 177.633 177.584 -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 1.135 177.097 176.117 -0.259 0.000 0.992 476 I CA 0.420 61.650 61.300 -0.115 0.000 1.297 476 I CB 1.843 39.802 38.000 -0.069 0.000 1.410 476 I HN 0.738 nan 8.210 nan 0.000 0.507 477 G N 2.900 111.470 108.800 -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 -1.334 173.268 174.900 -0.497 0.000 1.207 477 G CA -0.070 44.727 45.100 -0.504 0.000 0.803 477 G HN 0.688 nan 8.290 nan 0.000 0.572 478 S N -2.093 113.494 115.700 -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 57.814 58.200 -0.058 0.000 0.815 478 S CB 1.525 64.733 63.200 0.015 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 -0.408 174.503 174.900 0.018 0.000 1.337 480 G CA 0.416 45.550 45.100 0.057 0.000 1.030 480 G HN 0.866 nan 8.290 nan 0.000 0.534 481 D N -0.677 119.707 120.400 -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 1.255 41.950 40.800 -0.174 0.000 1.079 481 D HN 0.266 nan 8.370 nan 0.000 0.521 482 D N 1.552 121.902 120.400 -0.083 0.000 2.593 482 D HA 0.063 4.700 4.640 -0.005 0.000 0.241 482 D C -0.313 175.814 176.300 -0.289 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 4.996 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 0.633 63.584 63.200 -0.416 0.000 0.968 483 S HN 0.035 nan 8.310 nan 0.000 0.568 484 P HA 0.313 nan 4.420 nan 0.000 0.277 484 P C -0.432 176.810 177.300 -0.096 0.000 1.276 484 P CA -0.744 62.284 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 -2.807 117.702 120.570 -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 1.085 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 5.679 128.365 122.820 -0.223 0.000 1.923 486 A HA -0.246 4.071 4.320 -0.005 0.000 0.222 486 A C 2.131 179.533 177.584 -0.303 0.000 1.258 486 A CA 3.366 55.158 52.037 -0.408 0.000 0.670 486 A CB -1.516 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 -1.944 117.857 119.914 -0.190 0.000 2.380 487 V HA -0.215 3.903 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 1.994 64.336 62.300 0.070 0.000 1.055 487 V CB -1.070 30.835 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 -0.047 0.000 2.599 488 L HA 0.167 4.505 4.340 -0.005 0.000 0.230 488 L C 1.409 178.253 176.870 -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 4.465 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 2.053 122.462 120.400 0.015 0.000 2.183 490 D HA 0.098 4.736 4.640 -0.005 0.000 0.203 490 D C 0.327 176.667 176.300 0.065 0.000 0.969 490 D CA 1.215 55.239 54.000 0.040 0.000 0.842 490 D CB 0.260 41.087 40.800 0.045 0.000 0.957 490 D HN 0.415 nan 8.370 nan 0.000 0.484 491 K N -0.081 120.355 120.400 0.060 0.000 2.123 491 K HA 0.130 4.447 4.320 -0.005 0.000 0.248 491 K C -0.443 176.221 176.600 0.106 0.000 0.969 491 K CA -0.921 55.421 56.287 0.092 0.000 0.882 491 K CB 1.347 33.894 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 -0.431 175.444 175.900 -0.041 0.000 1.156 492 Y CA 0.357 58.479 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 4.405 124.478 120.500 -0.712 0.000 2.621 493 R HA 0.388 4.726 4.340 -0.005 0.000 0.284 493 R C -0.397 175.417 176.300 -0.811 0.000 0.998 493 R CA -0.597 55.011 56.100 -0.821 0.000 0.895 493 R CB 1.784 31.688 30.300 -0.661 0.000 1.195 493 R HN 1.017 nan 8.270 nan 0.000 0.450 494 G N 1.612 110.145 108.800 -0.446 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 1.277 122.680 121.223 0.301 0.000 2.040 495 L HA -0.304 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 57.985 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 -3.600 115.570 119.070 0.166 0.000 2.520 496 H HA -0.209 4.344 4.556 -0.005 0.000 0.295 496 H C 1.865 177.245 175.328 0.086 0.000 1.096 496 H CA 1.417 57.504 56.048 0.064 0.000 1.249 496 H CB -0.612 29.094 29.762 -0.094 0.000 1.365 496 H HN 0.597 nan 8.280 nan 0.000 0.556 497 H N -0.151 118.965 119.070 0.076 0.000 2.462 497 H HA -0.063 4.490 4.556 -0.005 0.000 0.292 497 H C 1.175 176.412 175.328 -0.152 0.000 1.049 497 H CA 1.151 57.060 56.048 -0.233 0.000 1.334 497 H CB 0.098 29.700 29.762 -0.267 0.000 1.404 497 H HN 0.444 nan 8.280 nan 0.000 0.544 498 F N -0.297 119.671 119.950 0.031 0.000 2.512 498 F HA 0.025 4.549 4.527 -0.005 0.000 0.296 498 F C 0.541 176.175 175.800 -0.276 0.000 1.110 498 F CA 0.142 58.053 58.000 -0.148 0.000 1.446 498 F CB -0.125 38.694 39.000 -0.302 0.000 1.092 498 F HN -0.100 nan 8.300 nan 0.000 0.554 499 F N 2.763 122.792 119.950 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 3.225 123.967 120.500 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 1.715 121.860 119.800 0.574 0.000 2.259 501 Q HA 0.255 4.592 4.340 -0.005 0.000 0.246 501 Q C -0.456 175.683 176.000 0.231 0.000 0.920 501 Q CA -0.760 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 1.134 119.826 118.700 -0.014 0.000 2.493 502 N HA 0.533 5.270 4.740 -0.005 0.000 0.275 502 N C -1.036 174.563 175.510 0.148 0.000 1.186 502 N CA -0.221 52.819 53.050 -0.016 0.000 0.978 502 N CB 0.641 39.015 38.487 -0.187 0.000 1.184 502 N HN 0.476 nan 8.380 nan 0.000 0.487 503 F N -2.382 117.567 119.950 -0.001 0.000 2.662 503 F HA 0.678 5.202 4.527 -0.005 0.000 0.312 503 F C -0.290 175.515 175.800 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 0.074 115.839 115.700 0.109 0.000 2.509 504 S HA 0.597 5.065 4.470 -0.005 0.000 0.297 504 S C -0.413 174.257 174.600 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 0.996 120.829 119.800 0.055 0.000 2.596 505 Q HA 0.302 4.639 4.340 -0.005 0.000 0.190 505 Q C 1.309 177.339 176.000 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 28.790 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 1.795 177.874 176.094 -0.025 0.000 1.184 506 V CA 1.153 63.444 62.300 -0.014 0.000 1.106 506 V CB 0.531 32.330 31.823 -0.040 0.000 0.826 506 V HN 0.433 nan 8.190 nan 0.000 0.465 507 T N 1.981 116.519 114.554 -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 1.673 63.754 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 0.837 119.538 118.700 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 1.643 40.127 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 -2.867 174.414 177.300 -0.032 0.000 1.291 509 P CA -1.425 61.677 63.100 0.003 0.000 0.867 509 P CB 1.417 33.081 31.700 -0.059 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 -0.167 62.943 63.100 0.017 0.000 0.795 510 P CB 0.578 32.307 31.700 0.048 0.000 1.038 511 I N -0.529 120.046 120.570 0.008 0.000 2.982 511 I HA 0.300 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 1.239 39.247 38.000 0.014 0.000 1.248 511 I HN 0.174 nan 8.210 nan 0.000 0.471 512 D N 1.726 122.185 120.400 0.099 0.000 2.428 512 D HA 0.111 4.748 4.640 -0.005 0.000 0.221 512 D C 0.840 177.186 176.300 0.076 0.000 1.123 512 D CA -0.048 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 0.593 nan 8.370 nan 0.000 0.506 513 S N 2.863 118.594 115.700 0.052 0.000 2.507 513 S HA -0.092 4.376 4.470 -0.005 0.000 0.235 513 S C 1.862 176.477 174.600 0.024 0.000 0.988 513 S CA 0.332 58.548 58.200 0.027 0.000 0.944 513 S CB 0.032 63.238 63.200 0.010 0.000 0.762 513 S HN 0.509 nan 8.310 nan 0.000 0.526 514 L N 0.595 121.842 121.223 0.040 0.000 2.187 514 L HA 0.221 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 0.449 55.303 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 0.113 nan 8.230 nan 0.000 0.463 515 R N 0.669 121.172 120.500 0.005 0.000 2.189 515 R HA -0.086 4.252 4.340 -0.005 0.000 0.223 515 R C 0.700 176.975 176.300 -0.043 0.000 1.092 515 R CA 0.947 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 0.015 120.218 120.200 0.005 0.000 2.736 516 E HA 0.122 4.469 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 57.412 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 -0.063 120.436 120.500 -0.002 0.000 2.226 518 R HA -0.145 4.192 4.340 -0.005 0.000 0.246 518 R C 2.080 178.382 176.300 0.004 0.000 1.161 518 R CA 1.716 57.816 56.100 -0.000 0.000 0.997 518 R CB -0.266 30.034 30.300 -0.000 0.000 0.870 518 R HN 0.273 nan 8.270 nan 0.000 0.465 519 V N -1.853 118.067 119.914 0.010 0.000 2.788 519 V HA 0.009 4.126 4.120 -0.005 0.000 0.251 519 V C 1.488 177.585 176.094 0.006 0.000 1.068 519 V CA 0.645 62.952 62.300 0.012 0.000 1.090 519 V CB -0.434 31.400 31.823 0.018 0.000 0.710 519 V HN 0.063 nan 8.190 nan 0.000 0.467 520 M N 1.200 120.801 119.600 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 0.932 56.229 55.300 -0.005 0.000 0.986 520 M CB 0.557 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 -1.124 173.461 174.600 -0.024 0.000 1.059 521 S CA -0.841 57.346 58.200 -0.021 0.000 0.847 521 S CB 0.835 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 1.839 122.218 120.400 -0.036 0.000 2.511 523 K HA 0.096 4.414 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 0.607 56.862 56.287 -0.053 0.000 1.050 523 K CB 0.668 33.127 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 -0.479 174.189 174.700 -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 1.883 122.351 120.500 -0.053 0.000 2.670 525 R HA 0.670 5.007 4.340 -0.005 0.000 0.289 525 R C -1.475 174.815 176.300 -0.017 0.000 0.965 525 R CA -0.857 55.218 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 1.356 122.591 121.223 0.020 0.000 2.313 526 L HA 0.520 4.857 4.340 -0.005 0.000 0.283 526 L C 0.814 177.751 176.870 0.112 0.000 1.013 526 L CA -0.280 54.612 54.840 0.086 0.000 0.816 526 L CB 1.775 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 0.393 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 -0.376 118.323 118.700 -0.002 0.000 2.282 528 N HA 0.110 4.847 4.740 -0.005 0.000 0.240 528 N C 0.529 176.029 175.510 -0.017 0.000 1.182 528 N CA -0.431 52.614 53.050 -0.008 0.000 0.874 528 N CB 0.235 38.709 38.487 -0.022 0.000 1.126 528 N HN 0.406 nan 8.380 nan 0.000 0.516 529 L N 1.234 122.439 121.223 -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 0.298 42.283 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 0.048 4.006 3.960 -0.005 0.000 0.207 530 G HA3 0.048 4.006 3.960 -0.005 0.000 0.207 530 G C -0.020 174.923 174.900 0.073 0.000 1.841 530 G CA -0.261 44.869 45.100 0.049 0.000 0.751 530 G HN 0.331 nan 8.290 nan 0.000 0.771 531 N N 1.897 120.639 118.700 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 1.041 39.583 38.487 0.093 0.000 1.175 531 N HN 0.472 nan 8.380 nan 0.000 0.512 532 I N 0.447 121.025 120.570 0.013 0.000 2.399 532 I HA -0.237 3.931 4.170 -0.005 0.000 0.254 532 I C 1.193 177.318 176.117 0.012 0.000 1.146 532 I CA 1.292 62.554 61.300 -0.063 0.000 1.412 532 I CB 0.001 37.887 38.000 -0.190 0.000 1.076 532 I HN 0.368 nan 8.210 nan 0.000 0.432 533 L N 0.314 121.586 121.223 0.082 0.000 2.418 533 L HA 0.101 4.438 4.340 -0.005 0.000 0.218 533 L C 1.006 178.003 176.870 0.212 0.000 1.125 533 L CA 0.387 55.316 54.840 0.148 0.000 0.835 533 L CB -0.501 41.694 42.059 0.226 0.000 0.953 533 L HN 0.310 nan 8.230 nan 0.000 0.454 534 D N 0.651 121.157 120.400 0.176 0.000 2.354 534 D HA 0.067 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 0.195 54.301 54.000 0.176 0.000 0.958 534 D CB 1.407 42.281 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 -1.616 175.166 176.600 0.304 0.000 1.179 535 E CA -0.594 56.021 56.400 0.358 0.000 1.287 535 E CB -0.013 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 -0.671 119.802 120.400 0.123 0.000 2.414 536 D HA 0.083 4.720 4.640 -0.005 0.000 0.241 536 D C 0.910 176.777 176.300 -0.723 0.000 1.008 536 D CA -0.665 53.172 54.000 -0.272 0.000 1.001 536 D CB 0.966 41.647 40.800 -0.199 0.000 1.277 536 D HN 0.228 nan 8.370 nan 0.000 0.538 537 E N -1.111 118.129 120.200 -1.599 0.000 2.478 537 E HA -0.125 4.222 4.350 -0.005 0.000 0.198 537 E C 0.980 177.271 176.600 -0.516 0.000 1.046 537 E CA 0.694 56.197 56.400 -1.495 0.000 0.870 537 E CB -0.264 28.379 29.700 -1.761 0.000 0.818 537 E HN 0.351 nan 8.360 nan 0.000 0.527 538 T N 0.105 114.456 114.554 -0.339 0.000 3.160 538 T HA -0.002 4.346 4.350 -0.005 0.000 0.257 538 T C 1.237 175.907 174.700 -0.050 0.000 1.147 538 T CA 0.544 62.553 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 -0.381 119.415 119.800 -0.006 0.000 2.444 539 Q HA 0.053 4.391 4.340 -0.005 0.000 0.206 539 Q C 1.687 177.747 176.000 0.100 0.000 0.948 539 Q CA 0.746 56.596 55.803 0.079 0.000 0.946 539 Q CB 0.363 29.197 28.738 0.159 0.000 1.027 539 Q HN 0.399 nan 8.270 nan 0.000 0.513 540 T N -0.204 114.417 114.554 0.112 0.000 3.015 540 T HA 0.105 4.452 4.350 -0.005 0.000 0.250 540 T C 0.528 175.284 174.700 0.094 0.000 1.057 540 T CA -0.122 62.062 62.100 0.140 0.000 1.066 540 T CB 0.212 69.199 68.868 0.198 0.000 0.959 540 T HN 0.098 nan 8.240 nan 0.000 0.488 541 R N 2.484 123.020 120.500 0.059 0.000 2.606 541 R HA 0.370 4.707 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 -0.720 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 -1.178 120.095 121.223 0.082 0.000 2.720 542 L HA 0.590 4.927 4.340 -0.005 0.000 0.261 542 L C -1.047 175.872 176.870 0.081 0.000 1.046 542 L CA -1.277 53.611 54.840 0.080 0.000 0.886 542 L CB 1.025 43.117 42.059 0.055 0.000 1.493 542 L HN 0.059 nan 8.230 nan 0.000 0.407 543 L N 0.580 121.841 121.223 0.063 0.000 2.334 543 L HA 0.718 5.055 4.340 -0.005 0.000 0.275 543 L C -0.391 176.469 176.870 -0.015 0.000 1.036 543 L CA -0.477 54.369 54.840 0.011 0.000 0.807 543 L CB 1.573 43.602 42.059 -0.049 0.000 1.231 543 L HN 0.687 nan 8.230 nan 0.000 0.438 544 Q N 2.072 121.847 119.800 -0.042 0.000 2.323 544 Q HA 0.604 4.942 4.340 -0.005 0.000 0.271 544 Q C -1.439 174.488 176.000 -0.122 0.000 1.048 544 Q CA -0.537 55.209 55.803 -0.095 0.000 0.792 544 Q CB 2.693 31.329 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 54.168 54.840 -0.087 0.000 0.806 545 L CB 1.014 43.040 42.059 -0.056 0.000 1.339 545 L HN 0.665 nan 8.230 nan 0.000 0.463 546 E N -0.503 119.656 120.200 -0.067 0.000 2.539 546 E HA 0.134 4.481 4.350 -0.005 0.000 0.215 546 E C -0.348 176.231 176.600 -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 0.806 116.496 115.700 -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 0.039 177.418 177.300 0.133 0.000 1.167 548 P CA 0.384 63.535 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 1.711 121.712 119.914 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 33.087 31.823 0.168 0.000 0.983 549 V HN -0.089 nan 8.190 nan 0.000 0.459 550 L N 4.589 125.958 121.223 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 0.702 nan 8.230 nan 0.000 0.409 551 T N -2.481 112.190 114.554 0.194 0.000 2.907 551 T HA 0.101 4.448 4.350 -0.005 0.000 0.298 551 T C 1.217 176.018 174.700 0.167 0.000 1.017 551 T CA -0.430 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 2.431 117.061 114.554 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 2.225 125.106 122.820 0.103 0.000 1.829 553 A HA -0.215 4.103 4.320 -0.005 0.000 0.216 553 A C 2.228 179.892 177.584 0.132 0.000 1.207 553 A CA 2.106 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 1.798 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 0.314 121.182 120.500 0.613 0.000 2.091 556 R HA -0.137 4.200 4.340 -0.005 0.000 0.238 556 R C 2.541 178.922 176.300 0.135 0.000 1.136 556 R CA 1.304 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 1.927 53.998 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 -1.391 118.167 119.600 -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 0.866 177.143 176.300 -0.038 0.000 1.161 559 R CA 2.169 58.123 56.100 -0.244 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 -0.991 119.417 120.400 0.014 0.000 2.306 560 D HA -0.092 4.546 4.640 -0.005 0.000 0.239 560 D C 1.279 177.622 176.300 0.071 0.000 1.105 560 D CA 1.313 55.344 54.000 0.051 0.000 0.950 560 D CB -1.047 39.791 40.800 0.065 0.000 1.036 560 D HN 0.122 nan 8.370 nan 0.000 0.428 561 Y N 1.494 121.773 120.300 -0.035 0.000 2.318 561 Y HA -0.407 4.141 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 2.032 60.114 58.100 -0.030 0.000 1.120 561 Y CB -0.305 38.129 38.460 -0.043 0.000 0.912 561 Y HN 0.002 nan 8.280 nan 0.000 0.534 562 M N -1.770 117.924 119.600 0.156 0.000 2.294 562 M HA 0.151 4.628 4.480 -0.005 0.000 0.257 562 M C 2.137 178.456 176.300 0.031 0.000 1.151 562 M CA 1.467 56.823 55.300 0.094 0.000 1.088 562 M CB -1.104 31.501 32.600 0.008 0.000 1.168 562 M HN 0.413 nan 8.290 nan 0.000 0.463 563 G N 1.012 109.836 108.800 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 0.257 175.180 174.900 0.039 0.000 1.524 563 G CA 0.207 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 2.195 178.520 176.300 0.041 0.000 0.976 564 D CA 1.943 55.957 54.000 0.023 0.000 0.853 564 D CB -0.637 40.167 40.800 0.006 0.000 0.939 564 D HN 0.481 nan 8.370 nan 0.000 0.481 565 T N 0.802 115.397 114.554 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 0.260 123.141 122.820 0.102 0.000 2.488 567 A HA 0.615 4.932 4.320 -0.005 0.000 0.295 567 A C -1.018 176.614 177.584 0.081 0.000 1.045 567 A CA -0.509 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 2.101 122.342 120.200 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 1.709 122.315 120.570 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 -1.275 60.053 61.300 0.045 0.000 1.162 569 I CB 1.192 39.216 38.000 0.039 0.000 1.332 569 I HN 0.466 nan 8.210 nan 0.000 0.458 570 D N 4.668 125.091 120.400 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 -0.105 51.979 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 -0.181 114.448 114.554 0.124 0.000 2.916 572 T HA 0.704 5.051 4.350 -0.005 0.000 0.292 572 T C -0.864 173.994 174.700 0.263 0.000 1.064 572 T CA -0.276 61.929 62.100 0.174 0.000 1.011 572 T CB 1.122 70.038 68.868 0.080 0.000 1.152 572 T HN 0.549 nan 8.240 nan 0.000 0.510 573 F N 0.499 120.422 119.950 -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 -3.041 54.923 58.000 -0.061 0.000 0.945 573 F CB 0.374 39.339 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 2.208 33.912 31.700 0.005 0.000 0.949 575 V N 1.241 121.031 119.914 -0.207 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 -0.223 0.000 0.799 575 V HN 0.546 nan 8.190 nan 0.000 0.474 576 D N 1.556 121.927 120.400 -0.049 0.000 2.218 576 D HA -0.127 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 40.173 40.800 -0.020 0.000 0.939 576 D HN 0.332 nan 8.370 nan 0.000 0.481 577 G N 0.440 109.254 108.800 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 1.120 46.253 45.100 0.055 0.000 0.734 577 G HN 0.937 nan 8.290 nan 0.000 0.616 578 G N -1.715 107.110 108.800 0.041 0.000 2.655 578 G HA2 0.031 3.989 3.960 -0.005 0.000 0.680 578 G HA3 0.031 3.989 3.960 -0.005 0.000 0.680 578 G C -1.420 173.495 174.900 0.026 0.000 1.302 578 G CA -0.096 45.020 45.100 0.026 0.000 0.872 578 G HN 0.121 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 31.886 31.700 -0.005 0.000 0.780 580 E N -1.240 118.950 120.200 -0.018 0.000 2.476 580 E HA 0.234 4.582 4.350 -0.005 0.000 0.196 580 E C 1.754 178.316 176.600 -0.063 0.000 1.029 580 E CA -0.032 56.344 56.400 -0.040 0.000 0.896 580 E CB -0.500 29.183 29.700 -0.029 0.000 1.012 580 E HN 0.082 nan 8.360 nan 0.000 0.475 581 A N 1.485 124.284 122.820 -0.034 0.000 1.909 581 A HA -0.260 4.057 4.320 -0.005 0.000 0.221 581 A C 2.132 179.568 177.584 -0.246 0.000 1.223 581 A CA 1.875 53.897 52.037 -0.024 0.000 0.658 581 A CB -0.625 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 -0.653 120.291 121.223 -0.466 0.000 2.005 582 L HA -0.099 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 2.409 56.830 54.840 -0.698 0.000 0.744 582 L CB -0.868 40.812 42.059 -0.631 0.000 0.895 582 L HN 0.480 nan 8.230 nan 0.000 0.433 583 R N -0.194 120.176 120.500 -0.216 0.000 2.143 583 R HA -0.259 4.078 4.340 -0.005 0.000 0.239 583 R C 1.780 178.020 176.300 -0.099 0.000 1.126 583 R CA 2.564 58.592 56.100 -0.120 0.000 0.927 583 R CB -0.645 29.611 30.300 -0.073 0.000 0.860 583 R HN 0.537 nan 8.270 nan 0.000 0.433 584 D N -0.362 119.985 120.400 -0.087 0.000 2.309 584 D HA -0.102 4.536 4.640 -0.005 0.000 0.212 584 D C 1.462 177.725 176.300 -0.061 0.000 0.968 584 D CA 1.103 55.069 54.000 -0.057 0.000 0.882 584 D CB -0.091 40.688 40.800 -0.036 0.000 0.918 584 D HN 0.410 nan 8.370 nan 0.000 0.503 585 A N 0.317 123.077 122.820 -0.101 0.000 1.898 585 A HA 0.010 4.327 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 0.495 52.482 52.037 -0.083 0.000 0.622 585 A CB -0.663 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 -0.772 120.379 121.223 -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 1.448 56.224 54.840 -0.106 0.000 0.745 586 L CB -0.435 41.545 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 -0.223 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 1.685 57.755 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 0.246 nan 8.270 nan 0.000 0.431 588 R N 1.092 121.561 120.500 -0.051 0.000 2.119 588 R HA -0.208 4.130 4.340 -0.005 0.000 0.246 588 R C 2.398 178.667 176.300 -0.053 0.000 1.146 588 R CA 2.292 58.367 56.100 -0.042 0.000 0.962 588 R CB -0.464 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 -2.144 118.390 120.570 -0.060 0.000 2.353 589 I HA -0.126 4.041 4.170 -0.005 0.000 0.248 589 I C 2.288 178.343 176.117 -0.103 0.000 1.119 589 I CA 0.997 62.264 61.300 -0.056 0.000 1.417 589 I CB -0.351 37.628 38.000 -0.035 0.000 1.078 589 I HN -0.041 nan 8.210 nan 0.000 0.421 590 R N 0.738 121.133 120.500 -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 -0.382 0.000 0.935 590 R CB -0.538 29.441 30.300 -0.535 0.000 0.842 590 R HN 0.386 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 2.252 57.998 55.803 -0.094 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 62.652 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 1.358 121.585 120.200 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 57.905 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 0.339 120.760 120.400 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 55.492 54.000 0.019 0.000 0.844 595 D CB -0.471 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 0.726 123.558 122.820 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 1.602 53.650 52.037 0.019 0.000 0.627 596 A CB -0.714 18.305 19.000 0.032 0.000 0.818 596 A HN 0.186 nan 8.150 nan 0.000 0.445 597 V N 0.057 119.988 119.914 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 -0.820 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 -0.027 0.000 2.080 598 R HA -0.140 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 1.723 57.787 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 1.277 nan 8.290 nan 0.000 0.487 601 A N 0.129 122.927 122.820 -0.035 0.000 2.462 601 A HA 0.652 4.970 4.320 -0.005 0.000 0.243 601 A C 1.250 178.801 177.584 -0.055 0.000 1.076 601 A CA 1.543 53.568 52.037 -0.020 0.000 0.773 601 A CB 0.517 19.526 19.000 0.015 0.000 1.010 601 A HN 0.549 nan 8.150 nan 0.000 0.493 602 T N 1.547 116.017 114.554 -0.139 0.000 2.985 602 T HA 0.210 4.558 4.350 -0.005 0.000 0.254 602 T C -0.024 174.335 174.700 -0.568 0.000 1.021 602 T CA 0.489 62.375 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 -1.339 174.025 175.328 0.060 0.000 1.185 603 H CA -0.553 55.531 56.048 0.059 0.000 1.160 603 H CB 1.800 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 3.396 123.431 119.914 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 2.227 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 6.702 128.000 121.223 0.125 0.000 2.307 606 L HA 0.644 4.981 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 1.779 43.886 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 -0.067 174.702 174.700 0.115 0.000 1.232 607 T CA -0.622 61.536 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 0.197 120.700 120.400 0.172 0.000 2.262 608 D HA 0.117 4.754 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 0.722 54.866 54.000 0.240 0.000 0.875 608 D CB 0.184 41.233 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 4.086 4.350 -0.005 0.000 0.233 609 E C 1.518 178.139 176.600 0.035 0.000 1.073 609 E CA 1.783 58.175 56.400 -0.013 0.000 0.941 609 E CB -0.272 29.345 29.700 -0.139 0.000 0.820 609 E HN 0.181 nan 8.360 nan 0.000 0.486 610 A N 0.986 123.821 122.820 0.025 0.000 2.142 610 A HA -0.043 4.274 4.320 -0.005 0.000 0.208 610 A C 0.740 178.338 177.584 0.024 0.000 1.344 610 A CA 0.215 52.263 52.037 0.018 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 0.182 119.819 119.600 0.062 0.000 2.245 611 M HA 0.435 4.912 4.480 -0.005 0.000 0.344 611 M C 0.463 176.768 176.300 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 -0.108 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 -2.942 171.559 174.900 -0.665 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 1.526 64.319 63.100 -0.512 0.000 0.777 613 P CB 0.501 32.176 31.700 -0.041 0.000 0.814 614 A N -0.159 122.572 122.820 -0.149 0.000 2.044 614 A HA 0.123 4.440 4.320 -0.005 0.000 0.213 614 A C 1.322 178.783 177.584 -0.207 0.000 1.169 614 A CA 0.354 52.318 52.037 -0.122 0.000 0.724 614 A CB -0.097 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 -0.227 120.116 120.500 -0.263 0.000 2.473 615 R HA 0.560 4.898 4.340 -0.005 0.000 0.303 615 R C -0.403 175.582 176.300 -0.525 0.000 1.002 615 R CA -0.158 55.721 56.100 -0.369 0.000 0.884 615 R CB 1.752 31.940 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 0.401 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 0.145 122.971 122.820 0.010 0.000 2.317 617 A HA 0.624 4.941 4.320 -0.005 0.000 0.327 617 A C -0.184 177.634 177.584 0.391 0.000 1.178 617 A CA -0.562 51.627 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 2.867 123.637 120.570 0.332 0.000 2.471 618 I HA 0.159 4.327 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 -1.585 59.843 61.300 0.215 0.000 1.398 618 I CB 1.107 39.163 38.000 0.093 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 0.629 177.950 177.300 0.035 0.000 1.161 619 P CA 0.267 63.420 63.100 0.088 0.000 0.863 619 P CB 0.561 32.310 31.700 0.082 0.000 0.827 620 A N 4.680 127.517 122.820 0.029 0.000 1.944 620 A HA -0.299 4.019 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 -1.402 119.073 120.570 -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 1.454 62.626 61.300 -0.214 0.000 1.317 621 I CB -0.307 37.440 38.000 -0.421 0.000 1.031 621 I HN 0.360 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 2.497 179.337 176.870 -0.050 0.000 1.075 622 L CA 2.347 57.242 54.840 0.092 0.000 0.752 622 L CB -1.215 40.834 42.059 -0.017 0.000 0.891 622 L HN 0.297 nan 8.230 nan 0.000 0.432 623 A N -2.368 120.431 122.820 -0.036 0.000 1.929 623 A HA -0.153 4.165 4.320 -0.005 0.000 0.216 623 A C 2.231 179.801 177.584 -0.022 0.000 1.176 623 A CA 1.939 53.950 52.037 -0.044 0.000 0.628 623 A CB -0.917 18.076 19.000 -0.013 0.000 0.816 623 A HN 0.468 nan 8.150 nan 0.000 0.444 624 T N -0.130 114.415 114.554 -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 1.421 110.245 108.800 0.040 0.000 2.524 625 G HA2 -0.019 3.939 3.960 -0.005 0.000 0.215 625 G HA3 -0.019 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 1.017 46.147 45.100 0.049 0.000 0.798 625 G HN 0.535 nan 8.290 nan 0.000 0.557 626 A N -0.052 122.716 122.820 -0.087 0.000 1.906 626 A HA -0.184 4.133 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 2.943 54.982 52.037 0.002 0.000 0.675 626 A CB -1.141 17.839 19.000 -0.034 0.000 0.838 626 A HN 0.465 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 2.689 65.013 62.300 0.042 0.000 1.036 627 V CB -1.049 30.794 31.823 0.032 0.000 0.654 627 V HN 0.865 nan 8.190 nan 0.000 0.451 628 H N 1.126 120.206 119.070 0.017 0.000 2.276 628 H HA -0.160 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 2.670 58.728 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 0.541 nan 8.280 nan 0.000 0.494 629 T N -1.540 113.021 114.554 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 1.436 120.453 119.070 -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 58.220 56.048 -0.070 0.000 1.213 630 H CB -0.566 29.174 29.762 -0.036 0.000 1.349 630 H HN 0.218 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 2.367 179.196 176.870 -0.067 0.000 1.084 631 L CA 1.208 56.099 54.840 0.084 0.000 0.764 631 L CB -0.623 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 -0.331 120.135 120.570 -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 1.049 121.445 120.500 -0.173 0.000 2.153 633 R HA -0.169 4.168 4.340 -0.005 0.000 0.252 633 R C 1.398 177.594 176.300 -0.173 0.000 1.158 633 R CA 1.854 57.851 56.100 -0.171 0.000 0.975 633 R CB -0.649 29.530 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 -0.097 174.476 174.600 -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 62.957 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 -0.173 175.381 175.510 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 -0.577 120.687 121.223 0.069 0.000 2.730 636 L HA 0.164 4.501 4.340 -0.005 0.000 0.236 636 L C 2.242 179.185 176.870 0.121 0.000 1.061 636 L CA 0.667 55.637 54.840 0.216 0.000 0.898 636 L CB -0.555 41.617 42.059 0.188 0.000 1.270 636 L HN 0.054 nan 8.230 nan 0.000 0.500 637 R N -0.101 120.415 120.500 0.027 0.000 2.154 637 R HA -0.189 4.148 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 29.443 30.300 -0.032 0.000 0.869 637 R HN 0.225 nan 8.270 nan 0.000 0.452 638 T N -0.921 113.514 114.554 -0.198 0.000 3.113 638 T HA -0.031 4.316 4.350 -0.005 0.000 0.263 638 T C 0.827 175.278 174.700 -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 1.590 121.554 119.950 0.024 0.000 2.387 639 F HA 0.245 4.769 4.527 -0.004 0.000 0.294 639 F C 1.590 177.375 175.800 -0.025 0.000 1.093 639 F CA 0.170 58.170 58.000 -0.000 0.000 1.420 639 F CB -0.366 38.633 39.000 -0.003 0.000 1.086 639 F HN 0.121 nan 8.300 nan 0.000 0.531 640 T N -1.741 112.901 114.554 0.148 0.000 2.910 640 T HA 0.552 4.899 4.350 -0.005 0.000 0.287 640 T C -0.095 174.672 174.700 0.113 0.000 1.050 640 T CA -0.899 61.248 62.100 0.077 0.000 1.011 640 T CB 1.550 70.480 68.868 0.104 0.000 1.195 640 T HN 0.005 nan 8.240 nan 0.000 0.540 641 S N 0.178 115.980 115.700 0.170 0.000 2.617 641 S HA 0.681 5.148 4.470 -0.005 0.000 0.283 641 S C -0.691 174.019 174.600 0.184 0.000 1.189 641 S CA -0.945 57.377 58.200 0.203 0.000 1.036 641 S CB 0.762 64.140 63.200 0.297 0.000 1.014 641 S HN 0.799 nan 8.310 nan 0.000 0.522 642 L N 2.086 123.400 121.223 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 0.802 nan 8.230 nan 0.000 0.416 643 N N 3.856 122.620 118.700 0.106 0.000 2.314 643 N HA 0.665 5.402 4.740 -0.005 0.000 0.294 643 N C -1.351 174.244 175.510 0.142 0.000 1.029 643 N CA -0.609 52.508 53.050 0.111 0.000 0.845 643 N CB 2.479 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 1.544 121.534 119.914 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 1.480 33.325 31.823 0.036 0.000 0.994 644 V HN 0.573 nan 8.190 nan 0.000 0.442 645 R N 1.827 122.413 120.500 0.143 0.000 2.393 645 R HA 0.665 5.003 4.340 -0.005 0.000 0.315 645 R C -0.678 175.752 176.300 0.216 0.000 0.952 645 R CA -0.386 55.818 56.100 0.173 0.000 0.842 645 R CB 2.052 32.400 30.300 0.078 0.000 1.163 645 R HN 0.758 nan 8.270 nan 0.000 0.450 646 T N 0.302 114.922 114.554 0.111 0.000 2.893 646 T HA 0.508 4.856 4.350 -0.005 0.000 0.293 646 T C 0.431 174.875 174.700 -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 4.556 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 0.978 52.742 52.037 -0.456 0.000 0.644 647 A CB -0.660 18.490 19.000 0.250 0.000 0.863 647 A HN 0.907 nan 8.150 nan 0.000 0.454 648 E N 0.435 120.155 120.200 -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 -1.069 0.000 0.880 648 E CB -0.333 28.403 29.700 -1.606 0.000 0.828 648 E HN 0.442 nan 8.360 nan 0.000 0.540 649 G N 0.821 109.122 108.800 -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 44.090 45.100 -0.846 0.000 0.895 649 G HN 0.234 nan 8.290 nan 0.000 0.444 650 L N 1.526 122.733 121.223 -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 1.188 177.669 176.300 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 -2.721 111.920 114.554 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 1.877 64.049 62.100 0.120 0.000 1.161 652 T CB -1.015 67.897 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 58.600 56.048 0.236 0.000 1.228 653 H CB -0.669 29.163 29.762 0.116 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 0.109 0.000 1.209 654 Y CA 2.202 60.410 58.100 0.181 0.000 1.152 654 Y CB -0.646 37.934 38.460 0.202 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 -1.474 37.572 39.000 0.078 0.000 0.984 655 F HN 0.074 nan 8.300 nan 0.000 0.472 656 A N 0.297 123.253 122.820 0.227 0.000 1.870 656 A HA -0.242 4.075 4.320 -0.005 0.000 0.219 656 A C 2.452 180.083 177.584 0.077 0.000 1.224 656 A CA 2.714 54.876 52.037 0.209 0.000 0.650 656 A CB -1.438 17.724 19.000 0.271 0.000 0.836 656 A HN 0.175 nan 8.150 nan 0.000 0.454 657 V N -0.494 119.169 119.914 -0.419 0.000 2.215 657 V HA -0.318 3.799 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 2.295 64.052 62.300 -0.906 0.000 1.012 657 V CB -0.959 30.117 31.823 -1.244 0.000 0.639 657 V HN 0.558 nan 8.190 nan 0.000 0.448 658 L N -0.646 120.277 121.223 -0.500 0.000 2.026 658 L HA -0.301 4.036 4.340 -0.005 0.000 0.231 658 L C 2.214 178.972 176.870 -0.187 0.000 1.095 658 L CA 2.268 56.901 54.840 -0.345 0.000 0.810 658 L CB -0.871 41.018 42.059 -0.283 0.000 0.909 658 L HN 0.257 nan 8.230 nan 0.000 0.444 659 I N -1.011 119.523 120.570 -0.059 0.000 2.113 659 I HA -0.274 3.894 4.170 -0.005 0.000 0.242 659 I C 1.637 177.778 176.117 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 37.198 38.000 0.181 0.000 1.028 659 I HN 0.472 nan 8.210 nan 0.000 0.406 660 G N -0.068 108.787 108.800 0.092 0.000 3.709 660 G HA2 0.342 4.299 3.960 -0.005 0.000 0.272 660 G HA3 0.342 4.299 3.960 -0.005 0.000 0.272 660 G C 0.416 175.228 174.900 -0.148 0.000 1.259 660 G CA -0.014 45.050 45.100 -0.060 0.000 1.512 660 G HN 0.250 nan 8.290 nan 0.000 0.625 661 V N -0.935 118.857 119.914 -0.203 0.000 3.537 661 V HA 0.447 4.565 4.120 -0.005 0.000 0.315 661 V C 1.311 177.211 176.094 -0.322 0.000 1.541 661 V CA 0.437 62.617 62.300 -0.201 0.000 1.160 661 V CB 0.112 31.794 31.823 -0.236 0.000 0.998 661 V HN 0.619 nan 8.190 nan 0.000 0.473 662 G N 0.568 109.063 108.800 -0.508 0.000 4.241 662 G HA2 0.159 4.117 3.960 -0.005 0.000 0.193 662 G HA3 0.159 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 0.776 123.505 122.820 -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 0.174 4.521 4.350 -0.005 0.000 0.252 664 T C 0.757 175.492 174.700 0.058 0.000 1.047 664 T CA 1.747 63.887 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 -1.544 173.205 174.700 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 70.879 68.868 0.054 0.000 1.116 665 T HN -0.147 nan 8.240 nan 0.000 0.464 666 V N 4.215 124.188 119.914 0.097 0.000 2.914 666 V HA 0.698 4.815 4.120 -0.005 0.000 0.314 666 V C -0.586 175.585 176.094 0.128 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 2.690 121.448 118.700 0.097 0.000 2.558 667 N HA 0.439 5.176 4.740 -0.005 0.000 0.285 667 N C -0.907 174.667 175.510 0.106 0.000 1.112 667 N CA -0.279 52.877 53.050 0.178 0.000 0.857 667 N CB 2.074 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 3.887 126.806 122.820 0.165 0.000 2.415 668 A HA 0.249 4.567 4.320 -0.005 0.000 0.309 668 A C 0.210 177.812 177.584 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 18.655 19.000 0.254 0.000 1.145 668 A HN 0.778 nan 8.150 nan 0.000 0.545 669 Y N 1.780 122.081 120.300 0.001 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 -0.027 58.056 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 0.891 121.859 121.223 -0.425 0.000 2.851 670 L HA 0.501 4.838 4.340 -0.005 0.000 0.237 670 L C 0.663 177.476 176.870 -0.096 0.000 1.257 670 L CA 0.643 55.371 54.840 -0.186 0.000 1.061 670 L CB -0.048 41.840 42.059 -0.286 0.000 1.372 670 L HN 0.542 nan 8.230 nan 0.000 0.493 671 A N -1.401 121.364 122.820 -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 0.034 119.749 119.800 -0.141 0.000 2.119 672 Q HA -0.184 4.153 4.340 -0.005 0.000 0.201 672 Q C 1.750 177.709 176.000 -0.068 0.000 0.972 672 Q CA 1.853 57.572 55.803 -0.140 0.000 0.847 672 Q CB 0.039 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 0.157 120.347 120.200 -0.016 0.000 2.007 673 E HA -0.153 4.194 4.350 -0.005 0.000 0.194 673 E C 1.796 178.405 176.600 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 29.448 29.700 0.049 0.000 0.762 673 E HN 0.429 nan 8.360 nan 0.000 0.450 674 A N 0.455 123.279 122.820 0.007 0.000 1.971 674 A HA -0.265 4.053 4.320 -0.005 0.000 0.222 674 A C 2.251 179.871 177.584 0.061 0.000 1.182 674 A CA 1.799 53.855 52.037 0.033 0.000 0.649 674 A CB -0.920 18.100 19.000 0.033 0.000 0.818 674 A HN 0.341 nan 8.150 nan 0.000 0.458 675 I N -0.571 120.005 120.570 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 1.140 62.471 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 0.362 123.224 122.820 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 -0.967 18.063 19.000 0.051 0.000 0.836 676 A HN 0.512 nan 8.150 nan 0.000 0.454 677 E N -0.082 120.187 120.200 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 1.692 58.150 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 -0.411 120.189 120.500 0.167 0.000 2.113 678 R HA -0.194 4.143 4.340 -0.005 0.000 0.244 678 R C 2.544 178.959 176.300 0.192 0.000 1.142 678 R CA 1.727 57.925 56.100 0.164 0.000 0.953 678 R CB -0.859 29.639 30.300 0.329 0.000 0.860 678 R HN 0.472 nan 8.270 nan 0.000 0.438 679 H N 0.471 119.699 119.070 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 0.851 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 0.177 0.000 2.062 680 R HA 0.019 4.356 4.340 -0.005 0.000 0.226 680 R C 1.487 177.777 176.300 -0.016 0.000 1.125 680 R CA 0.783 56.932 56.100 0.081 0.000 0.966 680 R CB 0.128 30.485 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 0.359 176.600 176.300 -0.098 0.000 1.902 681 R CA 0.524 56.593 56.100 -0.051 0.000 1.590 681 R CB -0.504 29.769 30.300 -0.045 0.000 1.245 681 R HN 0.175 nan 8.270 nan 0.000 0.647 682 G N 1.464 110.182 108.800 -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 0.631 175.424 174.900 -0.180 0.000 0.957 682 G CA 0.275 45.273 45.100 -0.169 0.000 1.005 682 G HN 0.531 nan 8.290 nan 0.000 0.514 683 L N -2.180 118.882 121.223 -0.268 0.000 2.418 683 L HA 0.245 4.582 4.340 -0.005 0.000 0.218 683 L C 1.426 177.961 176.870 -0.559 0.000 1.125 683 L CA 0.398 54.983 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 -0.580 57.487 58.000 0.113 0.000 1.136 684 F CB -0.474 38.615 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 0.295 175.226 174.900 0.051 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 -0.585 115.151 115.700 0.060 0.000 2.622 686 S HA 0.311 4.778 4.470 -0.005 0.000 0.236 686 S C 0.859 175.540 174.600 0.134 0.000 0.956 686 S CA -0.287 57.947 58.200 0.057 0.000 0.971 686 S CB -0.305 62.921 63.200 0.044 0.000 0.782 686 S HN 0.362 nan 8.310 nan 0.000 0.468 687 M N 3.097 122.809 119.600 0.186 0.000 2.269 687 M HA 0.224 4.701 4.480 -0.005 0.000 0.350 687 M C -2.541 173.926 176.300 0.279 0.000 1.429 687 M CA -1.546 53.872 55.300 0.197 0.000 1.063 687 M CB 0.398 33.123 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 0.381 177.615 177.300 -0.110 0.000 1.195 688 P CA -0.284 62.850 63.100 0.057 0.000 0.768 688 P CB 0.461 32.176 31.700 0.025 0.000 0.838 689 L N 3.500 124.531 121.223 -0.319 0.000 2.017 689 L HA -0.200 4.138 4.340 -0.005 0.000 0.208 689 L C 1.785 178.542 176.870 -0.188 0.000 1.073 689 L CA 2.084 56.679 54.840 -0.408 0.000 0.745 689 L CB -1.469 40.364 42.059 -0.376 0.000 0.894 689 L HN 0.267 nan 8.230 nan 0.000 0.432 690 E N 0.058 120.191 120.200 -0.111 0.000 2.086 690 E HA -0.322 4.026 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 1.997 58.362 56.400 -0.058 0.000 0.830 690 E CB -0.399 29.284 29.700 -0.028 0.000 0.751 690 E HN 0.430 nan 8.360 nan 0.000 0.456 691 K N -0.358 120.007 120.400 -0.059 0.000 2.155 691 K HA -0.003 4.314 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 0.481 109.193 108.800 -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 0.684 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 1.467 120.999 119.600 -0.114 0.000 2.066 693 M HA 0.088 4.566 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 1.116 123.936 122.820 -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 0.003 0.000 0.660 694 A CB -1.298 17.695 19.000 -0.010 0.000 0.835 694 A HN 0.609 nan 8.150 nan 0.000 0.461 695 N N -1.483 117.203 118.700 -0.022 0.000 2.036 695 N HA -0.219 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 1.869 54.901 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 1.955 122.179 120.300 -0.127 0.000 2.069 696 Y HA -0.303 4.244 4.550 -0.005 0.000 0.278 696 Y C 2.442 178.276 175.900 -0.110 0.000 1.175 696 Y CA 2.068 60.098 58.100 -0.117 0.000 1.134 696 Y CB -0.406 37.991 38.460 -0.106 0.000 0.965 696 Y HN 0.015 nan 8.280 nan 0.000 0.498 697 K N 0.373 120.756 120.400 -0.028 0.000 2.001 697 K HA -0.315 4.002 4.320 -0.005 0.000 0.214 697 K C 2.345 178.838 176.600 -0.179 0.000 1.050 697 K CA 2.212 58.421 56.287 -0.130 0.000 0.934 697 K CB -0.398 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 57.677 56.287 -0.101 0.000 0.931 698 K CB -0.090 32.373 32.500 -0.063 0.000 0.727 698 K HN 0.264 nan 8.250 nan 0.000 0.458 699 A N 0.217 122.917 122.820 -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 -0.270 0.000 1.158 699 A CA 0.348 52.266 52.037 -0.198 0.000 0.724 699 A CB -0.042 18.848 19.000 -0.183 0.000 0.826 699 A HN 0.282 nan 8.150 nan 0.000 0.463 700 I N -0.483 119.841 120.570 -0.410 0.000 2.585 700 I HA -0.104 4.064 4.170 -0.005 0.000 0.254 700 I C 1.582 177.515 176.117 -0.306 0.000 1.129 700 I CA 0.687 61.683 61.300 -0.506 0.000 1.455 700 I CB -0.157 37.305 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 1.555 177.790 176.300 -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 0.085 120.423 120.400 -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 0.759 54.715 54.000 -0.072 0.000 0.894 702 D CB -0.600 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 1.048 109.779 108.800 -0.115 0.000 2.514 703 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.217 703 G HA3 -0.241 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 0.452 45.495 45.100 -0.095 0.000 0.780 703 G HN 0.143 nan 8.290 nan 0.000 0.565 704 L N 0.594 121.774 121.223 -0.072 0.000 1.925 704 L HA 0.100 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 0.998 55.784 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 -0.396 120.768 121.223 -0.097 0.000 2.274 705 L HA -0.403 3.935 4.340 -0.005 0.000 0.220 705 L C 2.578 179.411 176.870 -0.060 0.000 1.088 705 L CA 2.094 56.886 54.840 -0.079 0.000 0.801 705 L CB -0.641 41.386 42.059 -0.052 0.000 0.891 705 L HN 0.470 nan 8.230 nan 0.000 0.444 706 K N 0.524 120.899 120.400 -0.042 0.000 2.044 706 K HA -0.091 4.226 4.320 -0.005 0.000 0.204 706 K C 2.106 178.708 176.600 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 1.386 121.960 120.570 0.006 0.000 2.248 707 I HA -0.341 3.826 4.170 -0.005 0.000 0.248 707 I C 2.386 178.491 176.117 -0.020 0.000 1.107 707 I CA 1.426 62.750 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 -0.034 119.484 119.600 -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 2.051 57.261 55.300 -0.149 0.000 1.124 708 M CB -0.545 31.913 32.600 -0.237 0.000 1.353 708 M HN 0.278 nan 8.290 nan 0.000 0.410 709 S N 0.218 115.913 115.700 -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 0.814 59.025 58.200 0.018 0.000 0.951 709 S CB -0.526 62.684 63.200 0.016 0.000 0.759 709 S HN 0.427 nan 8.310 nan 0.000 0.523 710 K N 1.279 121.719 120.400 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 1.416 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 -3.517 116.136 119.600 0.088 0.000 2.347 711 M HA 0.337 4.814 4.480 -0.005 0.000 0.302 711 M C 0.684 177.006 176.300 0.036 0.000 1.051 711 M CA 0.477 55.813 55.300 0.060 0.000 0.988 711 M CB 1.217 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 2.148 110.967 108.800 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 2.021 122.614 120.570 0.038 0.000 2.556 713 I HA 0.192 4.360 4.170 -0.005 0.000 0.284 713 I C 1.196 177.329 176.117 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 4.584 120.297 115.700 0.023 0.000 2.554 714 S HA 0.262 4.729 4.470 -0.005 0.000 0.226 714 S C 0.073 174.677 174.600 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 63.564 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 0.375 4.493 4.120 -0.005 0.000 0.307 715 V C 0.462 176.588 176.094 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 2.275 178.477 176.117 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 0.023 115.756 115.700 0.056 0.000 2.370 717 S HA -0.187 4.281 4.470 -0.005 0.000 0.226 717 S C 1.968 176.621 174.600 0.089 0.000 1.033 717 S CA 1.724 59.917 58.200 -0.012 0.000 1.011 717 S CB -0.669 62.466 63.200 -0.107 0.000 0.852 717 S HN 0.439 nan 8.310 nan 0.000 0.457 718 S N 0.416 116.183 115.700 0.111 0.000 2.428 718 S HA 0.040 4.508 4.470 -0.005 0.000 0.230 718 S C 1.511 176.230 174.600 0.198 0.000 1.014 718 S CA 0.768 59.060 58.200 0.154 0.000 0.957 718 S CB -0.434 62.793 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 58.456 58.100 0.059 0.000 1.201 719 Y CB 0.036 38.520 38.460 0.040 0.000 1.011 719 Y HN -0.004 nan 8.280 nan 0.000 0.545 720 R N 0.184 120.854 120.500 0.283 0.000 2.623 720 R HA 0.118 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 -0.066 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 2.510 111.240 108.800 -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 0.888 45.820 45.100 -0.280 0.000 0.635 721 G HN 0.853 nan 8.290 nan 0.000 0.552 722 G N 0.650 109.278 108.800 -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 1.318 46.241 45.100 -0.295 0.000 0.759 722 G HN 2.098 nan 8.290 nan 0.000 0.556 723 G N 0.425 109.102 108.800 -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 -0.106 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 0.614 119.155 118.700 -0.265 0.000 2.671 724 N HA 0.365 5.102 4.740 -0.005 0.000 0.303 724 N C -0.111 174.896 175.510 -0.837 0.000 1.351 724 N CA 0.101 52.850 53.050 -0.501 0.000 0.991 724 N CB 0.322 38.451 38.487 -0.597 0.000 1.307 724 N HN 0.407 nan 8.380 nan 0.000 0.512 725 F N 0.947 120.901 119.950 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 -0.235 120.166 120.200 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 -0.720 55.774 56.400 0.158 0.000 0.812 726 E CB 1.601 31.365 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 51.352 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 2.716 123.280 120.570 -0.010 0.000 2.428 728 I HA 0.573 4.740 4.170 -0.005 0.000 0.289 728 I C 1.068 177.248 176.117 0.107 0.000 1.019 728 I CA 1.404 62.721 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 6.455 115.318 108.800 0.104 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 0.238 175.171 174.900 0.056 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 0.452 55.189 54.840 -0.173 0.000 0.831 730 L CB 0.361 42.278 42.059 -0.236 0.000 1.100 730 L HN 0.682 nan 8.230 nan 0.000 0.505 731 S N 1.318 117.006 115.700 -0.020 0.000 2.565 731 S HA 0.210 4.677 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 -0.568 57.639 58.200 0.011 0.000 1.045 731 S CB 1.362 64.573 63.200 0.017 0.000 0.918 731 S HN 0.659 nan 8.310 nan 0.000 0.505 732 R N 2.498 123.014 120.500 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 -0.273 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 2.068 54.107 52.037 0.005 0.000 0.668 733 A CB -0.821 18.180 19.000 0.002 0.000 0.830 733 A HN 0.362 nan 8.150 nan 0.000 0.471 734 L N -0.295 120.959 121.223 0.051 0.000 2.056 734 L HA -0.067 4.270 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 2.098 57.006 54.840 0.113 0.000 0.749 734 L CB -0.563 41.579 42.059 0.139 0.000 0.901 734 L HN 0.176 nan 8.230 nan 0.000 0.433 735 V N -0.026 120.008 119.914 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 1.302 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 0.683 123.554 122.820 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 -0.254 119.853 120.200 -0.155 0.000 2.033 737 E HA -0.255 4.092 4.350 -0.005 0.000 0.199 737 E C 1.827 178.161 176.600 -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 -1.972 116.920 119.070 -0.297 0.000 2.553 738 H HA 0.159 4.712 4.556 -0.005 0.000 0.276 738 H C 0.149 175.070 175.328 -0.678 0.000 0.979 738 H CA 0.258 55.989 56.048 -0.528 0.000 1.268 738 H CB 0.203 29.521 29.762 -0.740 0.000 1.450 738 H HN 0.115 nan 8.280 nan 0.000 0.527 739 F N 0.780 120.812 119.950 0.137 0.000 2.509 739 F HA 0.383 4.908 4.527 -0.005 0.000 0.334 739 F C -1.648 174.177 175.800 0.042 0.000 1.060 739 F CA -2.849 55.199 58.000 0.080 0.000 0.997 739 F CB -0.147 38.906 39.000 0.089 0.000 1.271 739 F HN -0.195 nan 8.300 nan 0.000 0.488 740 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 0.176 31.903 31.700 0.044 0.000 1.156 741 A N 0.631 123.472 122.820 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 -0.870 18.129 19.000 -0.002 0.000 1.100 741 A HN 0.342 nan 8.150 nan 0.000 0.516 742 M N 2.626 122.284 119.600 0.096 0.000 2.484 742 M HA 0.324 4.801 4.480 -0.005 0.000 0.289 742 M C -0.752 175.599 176.300 0.084 0.000 1.206 742 M CA -0.656 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 0.963 120.913 119.914 0.059 0.000 3.083 743 V HA 0.468 4.585 4.120 -0.005 0.000 0.306 743 V C 0.318 176.439 176.094 0.044 0.000 1.077 743 V CA -0.212 62.113 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 0.992 116.711 115.700 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 1.064 121.574 120.500 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 -0.059 120.517 120.570 0.009 0.000 2.529 746 I HA 0.096 4.263 4.170 -0.005 0.000 0.284 746 I C 0.102 176.224 176.117 0.009 0.000 1.088 746 I CA -0.746 60.558 61.300 0.008 0.000 1.062 746 I CB 1.886 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 3.132 118.838 115.700 0.010 0.000 2.555 747 S HA 0.481 4.948 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 0.232 58.438 58.200 0.010 0.000 0.996 747 S CB 0.566 63.773 63.200 0.013 0.000 0.869 747 S HN 0.949 nan 8.310 nan 0.000 0.546 748 G N 0.286 109.089 108.800 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 1.083 nan 8.290 nan 0.000 0.685 749 I N -0.637 119.931 120.570 -0.003 0.000 3.156 749 I HA 0.799 4.967 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 -0.476 60.838 61.300 0.023 0.000 1.207 749 I CB 1.337 39.359 38.000 0.038 0.000 1.456 749 I HN 0.617 nan 8.210 nan 0.000 0.616 750 G N 0.952 109.759 108.800 0.011 0.000 3.222 750 G HA2 0.409 4.366 3.960 -0.005 0.000 0.263 750 G HA3 0.409 4.366 3.960 -0.005 0.000 0.263 750 G C 0.348 175.238 174.900 -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 -0.161 121.051 121.223 -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 56.283 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 0.415 119.090 118.700 -0.041 0.000 2.025 752 N HA -0.158 4.579 4.740 -0.005 0.000 0.194 752 N C 1.773 177.225 175.510 -0.096 0.000 1.044 752 N CA 1.694 54.709 53.050 -0.058 0.000 0.851 752 N CB -0.864 37.598 38.487 -0.042 0.000 1.036 752 N HN 0.325 nan 8.380 nan 0.000 0.422 753 G N 1.310 110.064 108.800 -0.077 0.000 2.511 753 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.216 753 G HA3 -0.225 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 0.909 45.938 45.100 -0.118 0.000 0.788 753 G HN 0.290 nan 8.290 nan 0.000 0.560 754 I N 0.673 121.240 120.570 -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 37.547 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 58.682 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 4.080 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 2.178 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 2.127 757 K HA -0.182 4.135 4.320 -0.005 0.000 0.208 757 K C 2.114 178.867 176.600 0.254 0.000 1.047 757 K CA 1.788 58.196 56.287 0.201 0.000 0.927 757 K CB -0.360 32.287 32.500 0.245 0.000 0.716 757 K HN 0.050 nan 8.250 nan 0.000 0.450 758 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 -0.458 31.557 31.823 0.320 0.000 0.637 758 V HN 0.289 nan 8.190 nan 0.000 0.444 759 L N -0.456 120.851 121.223 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 1.936 56.814 54.840 0.064 0.000 0.753 759 L CB -0.750 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 -0.370 119.889 120.200 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 1.657 58.109 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 0.052 119.887 119.800 0.059 0.000 2.297 761 Q HA -0.206 4.131 4.340 -0.005 0.000 0.208 761 Q C 1.649 177.638 176.000 -0.019 0.000 0.981 761 Q CA 1.693 57.465 55.803 -0.051 0.000 0.876 761 Q CB -0.235 28.325 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 1.648 177.006 175.328 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 -0.054 122.832 122.820 0.110 0.000 1.842 763 A HA -0.267 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 2.465 54.535 52.037 0.056 0.000 0.630 763 A CB -1.492 17.541 19.000 0.055 0.000 0.839 763 A HN 0.552 nan 8.150 nan 0.000 0.447 764 T N -0.464 114.084 114.554 -0.010 0.000 2.774 764 T HA -0.211 4.137 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 2.037 64.111 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 -2.000 120.741 122.820 -0.132 0.000 2.430 765 A HA 0.492 4.810 4.320 -0.005 0.000 0.243 765 A C 0.967 178.266 177.584 -0.475 0.000 1.254 765 A CA -0.156 51.702 52.037 -0.297 0.000 0.914 765 A CB 0.317 19.084 19.000 -0.389 0.000 0.998 765 A HN 0.602 nan 8.150 nan 0.000 0.515 766 Y N -1.893 118.257 120.300 -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 0.558 39.068 38.487 0.037 0.000 1.124 767 N HN 0.509 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 -1.761 174.801 176.600 -0.063 0.000 1.224 768 E CA -0.505 55.874 56.400 -0.035 0.000 0.898 768 E CB 0.869 30.549 29.700 -0.034 0.000 1.591 768 E HN 0.200 nan 8.360 nan 0.000 0.463 769 E N 0.231 120.393 120.200 -0.064 0.000 2.266 769 E HA 0.614 4.962 4.350 -0.005 0.000 0.268 769 E C -1.568 174.983 176.600 -0.083 0.000 0.879 769 E CA -0.919 55.434 56.400 -0.079 0.000 0.762 769 E CB 3.080 32.746 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 0.293 176.339 176.094 -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 4.821 124.699 119.914 -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 -0.376 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 -0.769 122.030 122.820 -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 -0.757 51.264 52.037 -0.027 0.000 0.728 772 A CB 0.937 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 1.132 122.350 121.223 -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 -1.498 53.346 54.840 0.007 0.000 0.836 773 L CB -0.024 42.052 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 -1.470 118.476 119.914 0.053 0.000 2.273 775 V HA 0.223 4.340 4.120 -0.005 0.000 0.242 775 V C 1.055 177.211 176.094 0.103 0.000 1.035 775 V CA 1.741 64.077 62.300 0.061 0.000 1.013 775 V CB -1.662 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 -1.110 107.761 108.800 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 -0.427 108.531 108.800 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 0.983 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 1.015 121.080 119.950 0.191 0.000 2.085 778 F HA 0.210 4.734 4.527 -0.005 0.000 0.284 778 F C 1.953 177.790 175.800 0.062 0.000 1.127 778 F CA 0.641 58.658 58.000 0.029 0.000 1.164 778 F CB -0.183 38.658 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 0.173 0.000 2.751 779 Y HA 0.077 4.625 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 58.881 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 4.451 4.340 -0.005 0.000 0.240 780 R C -1.862 174.403 176.300 -0.058 0.000 1.044 780 R CA -0.719 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 4.726 124.365 119.950 -0.518 0.000 2.543 781 F HA 0.379 4.904 4.527 -0.004 0.000 0.375 781 F C 0.088 175.804 175.800 -0.140 0.000 1.075 781 F CA 0.326 58.054 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 3.732 123.921 120.500 -0.518 0.000 3.024 782 R HA 0.441 4.778 4.340 -0.005 0.000 0.224 782 R C -0.251 175.456 176.300 -0.988 0.000 1.490 782 R CA -1.095 54.702 56.100 -0.505 0.000 1.057 782 R CB 0.924 31.108 30.300 -0.193 0.000 1.723 782 R HN 0.409 nan 8.270 nan 0.000 0.520 783 K N 0.810 120.864 120.400 -0.576 0.000 3.000 783 K HA 0.206 4.524 4.320 -0.005 0.000 0.239 783 K C -0.277 176.178 176.600 -0.241 0.000 1.269 783 K CA -0.050 55.899 56.287 -0.564 0.000 1.220 783 K CB 1.117 33.443 32.500 -0.291 0.000 1.645 783 K HN 0.280 nan 8.250 nan 0.000 0.423 784 S N -0.727 114.853 115.700 -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 -0.175 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 -0.178 108.707 108.800 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 0.080 175.091 174.900 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 1.352 121.893 120.400 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 55.679 56.100 0.178 0.000 1.146 787 R CB 0.552 30.879 30.300 0.046 0.000 1.279 787 R HN 0.401 nan 8.270 nan 0.000 0.597 788 H N -3.172 115.741 119.070 -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 -0.281 108.435 108.800 -0.140 0.000 2.404 789 G HA2 -0.105 3.852 3.960 -0.005 0.000 0.213 789 G HA3 -0.105 3.852 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 2.248 123.538 121.300 -0.015 0.000 2.416 790 W HA 0.533 5.190 4.660 -0.005 0.000 0.318 790 W C -0.143 176.310 176.519 -0.111 0.000 1.150 790 W CA -0.773 56.565 57.345 -0.012 0.000 1.392 790 W CB 0.570 30.048 29.460 0.029 0.000 1.311 790 W HN 0.108 nan 8.180 nan 0.000 0.436 791 E N 1.215 121.450 120.200 0.058 0.000 2.312 791 E HA 0.296 4.643 4.350 -0.005 0.000 0.267 791 E C 1.045 177.739 176.600 0.156 0.000 0.894 791 E CA -0.787 55.520 56.400 -0.155 0.000 0.773 791 E CB 1.795 31.149 29.700 -0.576 0.000 1.241 791 E HN 0.490 nan 8.360 nan 0.000 0.432 792 G N 1.771 110.733 108.800 0.269 0.000 2.556 792 G HA2 -0.365 3.592 3.960 -0.005 0.000 0.220 792 G HA3 -0.365 3.592 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 1.335 46.561 45.100 0.210 0.000 0.766 792 G HN 0.631 nan 8.290 nan 0.000 0.583 793 G N 0.172 109.079 108.800 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 0.373 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 1.836 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 2.308 63.726 61.300 0.197 0.000 1.320 795 I CB -0.884 37.216 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 29.096 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 -0.493 119.213 119.800 -0.156 0.000 1.985 800 Q HA -0.252 4.085 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 1.994 54.120 52.037 0.148 0.000 0.638 801 A CB -0.852 18.271 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 -0.297 31.633 31.823 0.178 0.000 0.841 802 V HN 0.621 nan 8.190 nan 0.000 0.451 803 T N 0.547 115.143 114.554 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 0.994 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 1.891 120.618 118.700 0.046 0.000 2.453 804 N HA -0.077 4.660 4.740 -0.005 0.000 0.183 804 N C 0.470 176.036 175.510 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 -0.880 175.599 176.300 0.298 0.000 1.125 805 D CA 0.616 54.780 54.000 0.274 0.000 0.681 805 D CB -1.544 39.353 40.800 0.161 0.000 1.070 805 D HN 0.292 nan 8.370 nan 0.000 0.432 806 S N -0.092 115.717 115.700 0.183 0.000 2.451 806 S HA 0.442 4.910 4.470 -0.005 0.000 0.301 806 S C 0.832 175.308 174.600 -0.207 0.000 1.116 806 S CA -0.609 57.623 58.200 0.053 0.000 1.093 806 S CB 1.540 64.746 63.200 0.011 0.000 1.017 806 S HN 0.214 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 1.931 59.582 58.100 -0.748 0.000 1.201 807 Y CB -0.960 37.308 38.460 -0.320 0.000 0.999 807 Y HN 0.771 nan 8.280 nan 0.000 0.541 808 T N -0.564 113.855 114.554 -0.226 0.000 2.788 808 T HA -0.154 4.193 4.350 -0.005 0.000 0.268 808 T C 1.765 176.359 174.700 -0.177 0.000 1.044 808 T CA 2.041 64.010 62.100 -0.219 0.000 1.139 808 T CB -0.407 68.403 68.868 -0.095 0.000 0.867 808 T HN 0.380 nan 8.240 nan 0.000 0.454 809 T N 1.459 115.939 114.554 -0.123 0.000 2.857 809 T HA 0.031 4.378 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 0.530 62.590 62.100 -0.066 0.000 1.139 809 T CB -0.412 68.440 68.868 -0.026 0.000 0.874 809 T HN 0.315 nan 8.240 nan 0.000 0.455 810 F N 2.121 121.917 119.950 -0.256 0.000 2.095 810 F HA -0.065 4.460 4.527 -0.004 0.000 0.298 810 F C 2.082 177.841 175.800 -0.068 0.000 1.104 810 F CA 1.331 59.247 58.000 -0.139 0.000 1.232 810 F CB -0.174 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 0.251 120.526 120.400 -0.208 0.000 2.585 811 K HA -0.178 4.139 4.320 -0.005 0.000 0.194 811 K C 1.716 178.194 176.600 -0.203 0.000 1.037 811 K CA 1.140 57.265 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 -1.484 118.829 120.400 -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 -0.239 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 3.177 123.341 120.300 -0.225 0.000 2.089 813 Y HA -0.233 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 2.344 60.307 58.100 -0.228 0.000 1.123 813 Y CB -0.816 37.453 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 1.611 59.254 58.200 -0.928 0.000 1.014 814 S CB -0.765 62.114 63.200 -0.536 0.000 0.836 814 S HN 0.622 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 1.412 57.688 56.400 -0.207 0.000 0.801 815 E CB -0.577 29.036 29.700 -0.144 0.000 0.750 815 E HN 0.725 nan 8.360 nan 0.000 0.452 816 Q N -0.673 119.016 119.800 -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 0.826 120.561 119.914 -0.297 0.000 2.535 817 V HA -0.141 3.976 4.120 -0.005 0.000 0.246 817 V C 1.336 177.280 176.094 -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 1.392 176.828 175.510 -0.124 0.000 1.054 818 N CA 0.523 53.470 53.050 -0.171 0.000 0.905 818 N CB -0.029 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 0.965 121.294 120.400 -0.117 0.000 2.417 819 K HA 0.149 4.467 4.320 -0.005 0.000 0.196 819 K C 0.560 177.116 176.600 -0.073 0.000 1.023 819 K CA 0.024 56.261 56.287 -0.083 0.000 1.122 819 K CB 0.425 32.882 32.500 -0.071 0.000 0.850 819 K HN 0.307 nan 8.250 nan 0.000 0.521 820 R N 0.921 121.370 120.500 -0.086 0.000 2.517 820 R HA 0.311 4.649 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 -0.022 177.230 177.300 -0.080 0.000 1.216 822 P CA 0.207 63.264 63.100 -0.073 0.000 0.776 822 P CB 0.396 32.058 31.700 -0.064 0.000 0.881 823 M N 0.477 120.017 119.600 -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 0.462 55.697 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 -0.502 119.218 119.800 -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 1.841 30.467 28.738 -0.185 0.000 1.414 824 Q HN 0.241 nan 8.270 nan 0.000 0.397 825 L N 1.453 122.559 121.223 -0.195 0.000 2.127 825 L HA -0.234 4.103 4.340 -0.005 0.000 0.211 825 L C 1.851 178.616 176.870 -0.174 0.000 1.089 825 L CA 1.774 56.512 54.840 -0.170 0.000 0.757 825 L CB -0.456 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 -0.314 120.043 120.500 -0.239 0.000 2.152 826 R HA -0.139 4.198 4.340 -0.005 0.000 0.232 826 R C 1.429 177.664 176.300 -0.109 0.000 1.117 826 R CA 1.385 57.377 56.100 -0.180 0.000 0.981 826 R CB -0.789 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 1.504 121.833 120.400 -0.119 0.000 2.221 827 D HA -0.095 4.542 4.640 -0.005 0.000 0.204 827 D C 1.548 177.808 176.300 -0.067 0.000 0.982 827 D CA 0.972 54.918 54.000 -0.091 0.000 0.857 827 D CB -0.028 40.712 40.800 -0.100 0.000 0.934 827 D HN 0.295 nan 8.370 nan 0.000 0.475 828 L N 0.127 121.309 121.223 -0.067 0.000 2.645 828 L HA 0.131 4.468 4.340 -0.005 0.000 0.235 828 L C 0.173 177.028 176.870 -0.024 0.000 1.150 828 L CA 0.082 54.895 54.840 -0.044 0.000 0.911 828 L CB -0.213 41.819 42.059 -0.045 0.000 1.077 828 L HN -0.130 nan 8.230 nan 0.000 0.438 829 L N -0.364 120.845 121.223 -0.023 0.000 2.356 829 L HA 0.429 4.767 4.340 -0.005 0.000 0.277 829 L C 0.065 176.951 176.870 0.028 0.000 0.996 829 L CA -0.398 54.445 54.840 0.005 0.000 0.822 829 L CB 2.190 44.245 42.059 -0.006 0.000 1.256 829 L HN 0.008 nan 8.230 nan 0.000 0.413 830 E N 3.625 123.866 120.200 0.068 0.000 2.322 830 E HA 0.554 4.902 4.350 -0.005 0.000 0.257 830 E C -1.291 175.392 176.600 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 -0.030 176.938 176.870 0.163 0.000 0.989 831 L CA -0.496 54.441 54.840 0.162 0.000 0.865 831 L CB 1.380 43.501 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 0.781 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 -1.054 114.737 115.700 0.151 0.000 2.638 833 S HA 0.229 4.696 4.470 -0.005 0.000 0.274 833 S C -0.067 174.585 174.600 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 65.005 63.200 0.211 0.000 1.139 833 S HN 0.696 nan 8.310 nan 0.000 0.474 834 T N -0.586 114.008 114.554 0.067 0.000 3.134 834 T HA 0.404 4.751 4.350 -0.005 0.000 0.260 834 T C 0.131 174.813 174.700 -0.030 0.000 1.027 834 T CA -0.370 61.742 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 1.127 121.475 120.400 -0.086 0.000 2.106 835 K HA 0.783 5.100 4.320 -0.005 0.000 0.246 835 K C -0.276 176.263 176.600 -0.100 0.000 0.987 835 K CA -0.832 55.369 56.287 -0.144 0.000 0.904 835 K CB 1.609 33.917 32.500 -0.320 0.000 1.071 835 K HN 0.231 nan 8.250 nan 0.000 0.453 836 A N 1.906 124.674 122.820 -0.088 0.000 2.282 836 A HA 0.511 4.828 4.320 -0.005 0.000 0.319 836 A C -2.371 175.173 177.584 -0.066 0.000 1.121 836 A CA -1.630 50.373 52.037 -0.057 0.000 0.836 836 A CB 0.045 19.020 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 -0.823 176.461 177.300 -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 32.370 31.700 -0.008 0.000 0.858 838 V N 4.779 124.682 119.914 -0.018 0.000 2.769 838 V HA 0.407 4.524 4.120 -0.005 0.000 0.312 838 V C -2.068 174.029 176.094 0.005 0.000 1.058 838 V CA -2.027 60.267 62.300 -0.011 0.000 0.952 838 V CB 1.676 33.493 31.823 -0.009 0.000 1.019 838 V HN 0.590 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 3.820 123.748 119.914 0.023 0.000 2.277 840 V HA -0.351 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 2.699 65.014 62.300 0.025 0.000 1.058 840 V CB -1.347 30.493 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 1.676 55.679 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 0.095 120.301 120.200 0.010 0.000 2.150 842 E HA -0.025 4.322 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 0.146 56.553 56.400 0.011 0.000 0.814 842 E CB 0.240 29.947 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 0.156 62.470 62.300 0.024 0.000 1.195 843 V CB 0.730 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 1.248 121.453 120.200 0.009 0.000 2.485 844 E HA 0.028 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 0.329 56.725 56.400 -0.007 0.000 1.010 844 E CB 0.443 30.136 29.700 -0.012 0.000 0.986 844 E HN 0.915 nan 8.360 nan 0.000 0.460 845 S N 2.264 117.943 115.700 -0.034 0.000 2.632 845 S HA 0.147 4.614 4.470 -0.005 0.000 0.267 845 S C 1.305 175.863 174.600 -0.070 0.000 1.276 845 S CA -0.632 57.541 58.200 -0.045 0.000 0.998 845 S CB 0.698 63.872 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 -0.978 36.967 38.000 -0.092 0.000 1.064 846 I HN 0.741 nan 8.210 nan 0.000 0.414 847 T N 1.144 115.647 114.554 -0.086 0.000 2.699 847 T HA -0.257 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 1.602 63.654 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 1.668 124.434 122.820 -0.090 0.000 1.834 848 A HA -0.073 4.244 4.320 -0.005 0.000 0.216 848 A C 2.326 179.820 177.584 -0.150 0.000 1.203 848 A CA 1.558 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 0.493 nan 8.150 nan 0.000 0.446 849 I N -0.713 119.743 120.570 -0.188 0.000 2.151 849 I HA -0.326 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 1.731 62.833 61.300 -0.330 0.000 1.339 849 I CB -0.688 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 2.188 178.286 176.300 -0.338 0.000 1.143 850 R CA 1.364 57.150 56.100 -0.524 0.000 0.968 850 R CB -0.502 29.732 30.300 -0.109 0.000 0.863 850 R HN 0.384 nan 8.270 nan 0.000 0.444 851 K N 0.438 120.720 120.400 -0.197 0.000 2.286 851 K HA -0.136 4.182 4.320 -0.005 0.000 0.203 851 K C 1.881 178.460 176.600 -0.036 0.000 1.045 851 K CA 1.180 57.422 56.287 -0.074 0.000 0.935 851 K CB -0.057 32.407 32.500 -0.058 0.000 0.737 851 K HN 0.139 nan 8.250 nan 0.000 0.460 852 R N -0.345 120.094 120.500 -0.101 0.000 2.323 852 R HA 0.042 4.379 4.340 -0.005 0.000 0.198 852 R C -0.220 176.313 176.300 0.390 0.000 0.988 852 R CA 0.057 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 0.438 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 0.769 39.628 39.000 -0.236 0.000 1.189 853 F HN -0.154 nan 8.300 nan 0.000 0.515 854 I N -1.682 119.042 120.570 0.257 0.000 2.994 854 I HA 0.569 4.736 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 4.944 119.645 114.554 0.244 0.000 2.744 855 T HA 0.492 4.840 4.350 -0.005 0.000 0.291 855 T C -2.330 172.421 174.700 0.085 0.000 0.957 855 T CA -1.061 61.154 62.100 0.192 0.000 1.002 855 T CB 1.050 69.988 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 -0.065 177.253 177.300 0.030 0.000 1.264 856 P CA -0.248 62.876 63.100 0.039 0.000 0.815 856 P CB 0.364 32.089 31.700 0.040 0.000 1.121 857 G N 0.119 108.940 108.800 0.036 0.000 2.428 857 G HA2 0.557 4.515 3.960 -0.005 0.000 0.320 857 G HA3 0.557 4.515 3.960 -0.005 0.000 0.320 857 G C -0.741 174.198 174.900 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 2.502 122.146 119.600 0.073 0.000 2.181 858 M HA 0.291 4.769 4.480 -0.005 0.000 0.323 858 M C 0.551 176.964 176.300 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 3.501 119.293 115.700 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 5.305 124.843 119.600 -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 -0.342 0.000 1.163 860 M CB -0.704 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 0.083 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 2.362 54.410 52.037 0.018 0.000 0.633 862 A CB -0.863 18.160 19.000 0.039 0.000 0.819 862 A HN 1.591 nan 8.150 nan 0.000 0.448 863 L N -2.245 118.995 121.223 0.029 0.000 2.325 863 L HA 0.667 5.004 4.340 -0.005 0.000 0.278 863 L C 0.395 177.249 176.870 -0.028 0.000 1.023 863 L CA -0.719 54.137 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 1.370 117.033 115.700 -0.062 0.000 2.558 864 S HA 0.207 4.675 4.470 -0.005 0.000 0.287 864 S C -1.600 172.923 174.600 -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 0.985 178.236 177.300 -0.082 0.000 1.148 865 P CA 1.208 64.247 63.100 -0.101 0.000 0.822 865 P CB 0.048 31.682 31.700 -0.110 0.000 0.784 866 E N -0.258 119.811 120.200 -0.217 0.000 2.028 866 E HA -0.097 4.251 4.350 -0.005 0.000 0.190 866 E C 2.176 178.514 176.600 -0.438 0.000 0.984 866 E CA 1.412 57.627 56.400 -0.309 0.000 0.800 866 E CB -1.340 28.106 29.700 -0.422 0.000 0.758 866 E HN 0.082 nan 8.360 nan 0.000 0.448 867 A N 1.317 123.717 122.820 -0.699 0.000 1.892 867 A HA -0.296 4.021 4.320 -0.005 0.000 0.218 867 A C 2.118 179.678 177.584 -0.040 0.000 1.188 867 A CA 1.964 53.767 52.037 -0.390 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 -0.734 118.281 119.070 -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 0.035 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 -0.446 108.559 108.800 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 1.715 176.620 174.900 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 4.233 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 4.123 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 1.461 56.205 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 1.323 54.283 53.050 -0.150 0.000 0.872 872 N CB -0.540 37.918 38.487 -0.049 0.000 0.980 872 N HN 0.211 nan 8.380 nan 0.000 0.436 873 V N 0.891 120.594 119.914 -0.351 0.000 2.346 873 V HA -0.050 4.067 4.120 -0.005 0.000 0.244 873 V C 2.409 178.323 176.094 -0.300 0.000 1.037 873 V CA 1.475 63.513 62.300 -0.437 0.000 1.029 873 V CB -0.940 30.457 31.823 -0.709 0.000 0.663 873 V HN 0.274 nan 8.190 nan 0.000 0.454 874 A N 0.243 122.896 122.820 -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 -0.251 0.000 1.191 874 A CA 2.282 54.158 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 0.390 nan 8.150 nan 0.000 0.444 875 M N 0.428 119.886 119.600 -0.238 0.000 2.065 875 M HA -0.141 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 1.377 56.578 55.300 -0.164 0.000 1.110 875 M CB -2.062 30.481 32.600 -0.096 0.000 1.328 875 M HN 0.398 nan 8.290 nan 0.000 0.405 876 N N 0.136 118.762 118.700 -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 0.866 53.857 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 1.027 121.447 120.500 -0.134 0.000 2.153 877 R HA 0.067 4.405 4.340 -0.005 0.000 0.218 877 R C 1.466 177.707 176.300 -0.099 0.000 1.072 877 R CA 0.603 56.630 56.100 -0.122 0.000 0.990 877 R CB 0.118 30.329 30.300 -0.147 0.000 0.889 877 R HN 0.286 nan 8.270 nan 0.000 0.452 878 I N -3.630 116.881 120.570 -0.098 0.000 3.877 878 I HA 0.450 4.617 4.170 -0.005 0.000 0.332 878 I C 0.436 176.524 176.117 -0.048 0.000 1.525 878 I CA 0.140 61.396 61.300 -0.074 0.000 1.146 878 I CB 0.824 38.779 38.000 -0.074 0.000 1.137 878 I HN 0.164 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 0.413 45.493 45.100 -0.034 0.000 0.736 879 G HN 0.888 nan 8.290 nan 0.000 0.513 880 A N -0.831 121.988 122.820 -0.001 0.000 3.847 880 A HA 0.952 5.269 4.320 -0.005 0.000 0.152 880 A C 0.490 178.093 177.584 0.031 0.000 1.527 880 A CA 0.228 52.290 52.037 0.041 0.000 1.022 880 A CB 0.886 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 -1.372 175.251 176.600 0.038 0.000 0.952 881 K CA -0.446 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 0.789 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 2.019 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 1.013 121.403 120.400 -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 1.723 42.535 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 1.886 60.221 58.200 0.224 0.000 1.146 884 S CB -0.958 62.414 63.200 0.287 0.000 1.042 884 S HN 1.332 nan 8.310 nan 0.000 0.448 885 G N 0.337 109.249 108.800 0.187 0.000 2.746 885 G HA2 -0.195 3.763 3.960 -0.005 0.000 0.685 885 G HA3 -0.195 3.763 3.960 -0.005 0.000 0.685 885 G C -0.132 174.873 174.900 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 0.058 4.405 4.350 -0.005 0.000 0.203 886 E C 2.076 178.775 176.600 0.165 0.000 1.072 886 E CA 2.140 58.611 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 45.429 45.100 0.088 0.000 0.825 887 G HN 0.549 nan 8.290 nan 0.000 0.549 888 G N -1.783 107.026 108.800 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 -0.275 119.990 120.200 0.108 0.000 2.321 889 E HA 0.321 4.669 4.350 -0.005 0.000 0.278 889 E C -1.681 174.918 176.600 -0.000 0.000 0.902 889 E CA -0.775 55.714 56.400 0.147 0.000 0.758 889 E CB 2.649 32.558 29.700 0.349 0.000 1.213 889 E HN 0.552 nan 8.360 nan 0.000 0.426 890 D N 4.316 124.640 120.400 -0.127 0.000 2.371 890 D HA 0.076 4.714 4.640 -0.005 0.000 0.256 890 D C -1.711 174.263 176.300 -0.544 0.000 1.193 890 D CA -1.729 52.130 54.000 -0.235 0.000 0.881 890 D CB 1.289 41.972 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 1.765 64.231 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 0.584 123.174 122.820 -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 2.132 54.030 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 -1.270 119.051 120.500 -0.299 0.000 2.341 893 R HA -0.082 4.255 4.340 -0.005 0.000 0.213 893 R C 0.824 177.154 176.300 0.049 0.000 1.082 893 R CA 0.801 56.843 56.100 -0.097 0.000 1.017 893 R CB -0.410 29.887 30.300 -0.006 0.000 0.860 893 R HN 0.560 nan 8.270 nan 0.000 0.473 894 F N 0.648 120.642 119.950 0.075 0.000 2.722 894 F HA 0.023 4.548 4.527 -0.004 0.000 0.298 894 F C 0.643 176.475 175.800 0.054 0.000 1.175 894 F CA 0.486 58.524 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 -0.176 nan 8.300 nan 0.000 0.592 895 R N 0.404 121.021 120.500 0.196 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 -1.853 54.332 56.100 0.141 0.000 0.891 895 R CB 1.763 32.122 30.300 0.099 0.000 1.188 895 R HN -0.162 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 -0.071 63.114 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 -0.159 120.355 120.400 0.190 0.000 2.440 897 D HA 0.087 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 -0.752 53.346 54.000 0.164 0.000 1.016 897 D CB 0.696 41.653 40.800 0.261 0.000 1.141 897 D HN 0.228 nan 8.370 nan 0.000 0.552 898 K N 0.678 121.126 120.400 0.080 0.000 2.160 898 K HA -0.225 4.093 4.320 -0.005 0.000 0.206 898 K C 0.640 177.274 176.600 0.056 0.000 1.047 898 K CA 1.176 57.496 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 0.681 119.427 118.700 0.078 0.000 2.461 899 N HA 0.010 4.747 4.740 -0.005 0.000 0.188 899 N C 0.884 176.423 175.510 0.048 0.000 1.134 899 N CA 1.035 54.123 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 0.052 108.886 108.800 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 -0.036 45.085 45.100 0.035 0.000 0.633 900 G HN 0.298 nan 8.290 nan 0.000 0.525 901 D N 0.533 120.951 120.400 0.031 0.000 2.304 901 D HA 0.376 5.013 4.640 -0.005 0.000 0.247 901 D C -0.097 176.172 176.300 -0.050 0.000 1.089 901 D CA -0.159 53.798 54.000 -0.072 0.000 0.910 901 D CB 0.833 41.534 40.800 -0.166 0.000 1.199 901 D HN 0.137 nan 8.370 nan 0.000 0.426 902 N N 1.626 120.231 118.700 -0.159 0.000 2.469 902 N HA 0.089 4.826 4.740 -0.005 0.000 0.253 902 N C -0.094 175.323 175.510 -0.154 0.000 0.970 902 N CA -0.493 52.528 53.050 -0.047 0.000 0.940 902 N CB 0.548 39.014 38.487 -0.036 0.000 1.128 902 N HN 0.377 nan 8.380 nan 0.000 0.503 903 W N 1.249 122.560 121.300 0.019 0.000 3.003 903 W HA 0.249 4.906 4.660 -0.005 0.000 0.257 903 W C 0.774 177.321 176.519 0.046 0.000 1.308 903 W CA -0.462 56.895 57.345 0.021 0.000 1.529 903 W CB -0.188 29.277 29.460 0.008 0.000 1.115 903 W HN 0.425 nan 8.180 nan 0.000 0.659 904 N N 1.215 120.066 118.700 0.252 0.000 2.492 904 N HA 0.034 4.771 4.740 -0.005 0.000 0.260 904 N C -0.088 175.508 175.510 0.144 0.000 1.215 904 N CA 0.242 53.437 53.050 0.240 0.000 0.923 904 N CB 0.681 39.344 38.487 0.293 0.000 1.092 904 N HN -0.085 nan 8.380 nan 0.000 0.448 905 S N 1.157 116.947 115.700 0.151 0.000 2.525 905 S HA 0.553 5.020 4.470 -0.005 0.000 0.278 905 S C 0.990 175.609 174.600 0.032 0.000 1.234 905 S CA -0.510 57.732 58.200 0.069 0.000 1.058 905 S CB 1.616 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 0.787 178.340 177.584 -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 1.247 121.790 120.570 -0.043 0.000 2.382 907 I HA 0.222 4.390 4.170 -0.005 0.000 0.285 907 I C -0.668 175.407 176.117 -0.070 0.000 1.007 907 I CA -0.522 60.743 61.300 -0.058 0.000 1.142 907 I CB 1.501 39.484 38.000 -0.027 0.000 1.289 907 I HN 0.127 nan 8.210 nan 0.000 0.453 908 K N 6.016 126.324 120.400 -0.153 0.000 2.095 908 K HA 0.545 4.862 4.320 -0.005 0.000 0.252 908 K C -0.562 176.003 176.600 -0.059 0.000 0.977 908 K CA -0.868 55.306 56.287 -0.188 0.000 0.900 908 K CB 1.895 33.972 32.500 -0.706 0.000 1.060 908 K HN 0.514 nan 8.250 nan 0.000 0.449 909 Q N 0.674 120.539 119.800 0.109 0.000 2.248 909 Q HA 0.470 4.807 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 0.958 120.947 119.914 0.126 0.000 2.483 910 V HA 0.780 4.897 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 1.359 33.254 31.823 0.120 0.000 0.995 910 V HN 0.875 nan 8.190 nan 0.000 0.424 911 A N 3.102 125.930 122.820 0.013 0.000 2.532 911 A HA 0.758 5.075 4.320 -0.005 0.000 0.290 911 A C 1.040 178.281 177.584 -0.571 0.000 1.143 911 A CA 0.148 52.062 52.037 -0.204 0.000 0.728 911 A CB 1.421 20.341 19.000 -0.133 0.000 1.317 911 A HN 0.939 nan 8.150 nan 0.000 0.414 912 S N 0.270 115.474 115.700 -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 1.689 59.535 58.200 -0.591 0.000 1.219 912 S CB -1.154 61.818 63.200 -0.379 0.000 1.124 912 S HN 1.865 nan 8.310 nan 0.000 0.436 913 G N 1.101 109.527 108.800 -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 3.388 123.425 120.500 -0.772 0.000 4.496 914 R HA 0.104 4.441 4.340 -0.005 0.000 0.211 914 R C 0.510 176.584 176.300 -0.378 0.000 1.738 914 R CA -0.544 55.231 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 0.346 120.185 119.950 -0.185 0.000 2.043 915 F HA -0.156 4.368 4.527 -0.005 0.000 0.297 915 F C 2.132 177.782 175.800 -0.251 0.000 1.118 915 F CA 1.740 59.631 58.000 -0.181 0.000 1.202 915 F CB -0.542 38.378 39.000 -0.134 0.000 0.965 915 F HN 0.312 nan 8.300 nan 0.000 0.482 916 G N -0.370 108.301 108.800 -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 -0.902 173.692 174.900 -0.510 0.000 1.240 916 G CA -0.176 44.742 45.100 -0.303 0.000 0.970 916 G HN 0.023 nan 8.290 nan 0.000 0.574 917 V N 1.303 121.004 119.914 -0.355 0.000 2.415 917 V HA 0.434 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 0.426 62.610 62.300 -0.194 0.000 1.000 917 V CB 0.589 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 3.418 117.974 114.554 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 1.439 124.253 122.820 -0.009 0.000 1.903 919 A HA -0.165 4.152 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 2.495 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 4.401 4.550 -0.004 0.000 0.285 921 Y C 2.004 177.807 175.900 -0.161 0.000 1.131 921 Y CA 1.686 59.758 58.100 -0.048 0.000 1.121 921 Y CB -0.431 38.060 38.460 0.052 0.000 0.987 921 Y HN -0.022 nan 8.280 nan 0.000 0.495 922 L N 0.884 122.032 121.223 -0.126 0.000 2.263 922 L HA -0.265 4.072 4.340 -0.005 0.000 0.216 922 L C 1.722 178.411 176.870 -0.302 0.000 1.111 922 L CA 1.346 56.000 54.840 -0.310 0.000 0.773 922 L CB -0.544 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 -0.830 117.710 118.700 -0.266 0.000 2.280 923 N HA -0.013 4.724 4.740 -0.005 0.000 0.192 923 N C 0.438 175.763 175.510 -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 1.065 120.611 119.800 -0.423 0.000 2.936 924 Q HA 0.195 4.532 4.340 -0.005 0.000 0.383 924 Q C -0.211 175.606 176.000 -0.305 0.000 1.167 924 Q CA -0.130 55.383 55.803 -0.483 0.000 1.038 924 Q CB -0.186 27.945 28.738 -1.012 0.000 1.409 924 Q HN 0.376 nan 8.270 nan 0.000 0.448 925 C N -3.285 115.873 119.300 -0.237 0.000 3.211 925 C HA 0.498 4.956 4.460 -0.005 0.000 0.350 925 C C 0.847 175.753 174.990 -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 0.505 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 0.368 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 0.484 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 -1.659 174.878 176.600 -0.104 0.000 0.938 927 E CA -0.499 55.848 56.400 -0.087 0.000 0.777 927 E CB 1.437 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 -0.357 176.480 176.870 -0.054 0.000 1.004 928 L CA -0.738 54.045 54.840 -0.096 0.000 0.820 928 L CB 1.900 43.895 42.059 -0.106 0.000 1.247 928 L HN 0.643 nan 8.230 nan 0.000 0.416 929 E N 3.635 123.817 120.200 -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 55.768 56.400 -0.008 0.000 0.770 929 E CB 1.579 31.283 29.700 0.008 0.000 1.104 929 E HN 0.463 nan 8.360 nan 0.000 0.403 930 I N 4.856 125.424 120.570 -0.002 0.000 2.322 930 I HA 0.081 4.248 4.170 -0.005 0.000 0.292 930 I C 0.497 176.636 176.117 0.038 0.000 1.060 930 I CA -0.088 61.210 61.300 -0.004 0.000 1.309 930 I CB 0.564 38.509 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 33.395 32.500 0.118 0.000 1.365 931 K HN 0.531 nan 8.250 nan 0.000 0.420 932 V N 2.601 122.592 119.914 0.128 0.000 2.951 932 V HA 0.097 4.215 4.120 -0.005 0.000 0.255 932 V C 0.556 176.725 176.094 0.126 0.000 1.088 932 V CA 1.140 63.525 62.300 0.142 0.000 1.109 932 V CB -0.183 31.680 31.823 0.067 0.000 0.724 932 V HN 0.860 nan 8.190 nan 0.000 0.471 933 A N -0.066 122.803 122.820 0.081 0.000 2.569 933 A HA 0.672 4.989 4.320 -0.005 0.000 0.292 933 A C -1.513 176.067 177.584 -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 0.419 120.188 119.800 -0.051 0.000 2.377 934 Q HA 0.622 4.959 4.340 -0.005 0.000 0.271 934 Q C 0.866 176.818 176.000 -0.080 0.000 1.077 934 Q CA -0.584 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 1.358 110.135 108.800 -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 1.085 175.948 174.900 -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 0.104 122.892 122.820 -0.054 0.000 2.021 936 A HA 0.303 4.620 4.320 -0.005 0.000 0.216 936 A C 1.303 178.837 177.584 -0.083 0.000 1.163 936 A CA 1.425 53.430 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 -2.495 117.839 120.400 -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 0.691 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 1.426 178.505 177.300 -0.369 0.000 1.163 938 P CA 1.889 64.570 63.100 -0.699 0.000 0.889 938 P CB 0.092 30.752 31.700 -1.735 0.000 0.790 939 G N -0.642 108.019 108.800 -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 0.777 175.682 174.900 0.007 0.000 1.138 939 G CA 0.729 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 -2.605 117.575 120.200 -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 56.251 56.400 -0.014 0.000 1.346 940 E CB -0.098 29.599 29.700 -0.006 0.000 1.252 940 E HN 0.751 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 0.315 175.201 174.900 -0.022 0.000 1.108 941 G CA -0.501 44.576 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 4.441 3.960 -0.005 0.000 0.233 942 G HA3 0.484 4.441 3.960 -0.005 0.000 0.233 942 G C 0.154 175.069 174.900 0.026 0.000 1.266 942 G CA 0.373 45.482 45.100 0.014 0.000 0.852 942 G HN 0.898 nan 8.290 nan 0.000 0.581 943 Q N -0.402 119.407 119.800 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 54.915 55.803 0.001 0.000 0.800 943 Q CB 2.876 31.606 28.738 -0.013 0.000 1.304 943 Q HN 0.355 nan 8.270 nan 0.000 0.438 944 L N 2.873 124.061 121.223 -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 53.226 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 62.709 63.100 -0.623 0.000 0.776 945 P CB 0.883 31.925 31.700 -1.096 0.000 0.876 946 G N 2.309 110.805 108.800 -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 0.579 175.359 174.900 -0.201 0.000 1.125 946 G CA 0.447 45.397 45.100 -0.251 0.000 0.755 946 G HN 0.630 nan 8.290 nan 0.000 0.565 947 F N -0.544 119.396 119.950 -0.018 0.000 2.913 947 F HA 0.585 5.110 4.527 -0.004 0.000 0.293 947 F C 1.011 176.793 175.800 -0.029 0.000 1.223 947 F CA -1.204 56.782 58.000 -0.023 0.000 1.393 947 F CB 0.162 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 -0.619 119.721 120.400 -0.100 0.000 2.585 948 K HA 0.208 4.525 4.320 -0.005 0.000 0.210 948 K C -0.065 176.488 176.600 -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 33.876 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 0.659 176.708 176.094 -0.076 0.000 1.580 949 V CA 0.441 62.670 62.300 -0.118 0.000 1.515 949 V CB -0.405 31.335 31.823 -0.139 0.000 1.474 949 V HN 0.205 nan 8.190 nan 0.000 0.504 950 T N 1.520 116.037 114.554 -0.062 0.000 2.560 950 T HA -0.045 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 0.326 62.398 62.100 -0.048 0.000 1.032 950 T CB 0.535 69.368 68.868 -0.058 0.000 1.057 950 T HN 0.666 nan 8.240 nan 0.000 0.529 951 E N -0.098 120.065 120.200 -0.061 0.000 2.170 951 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 0.981 951 E CA 0.267 56.626 56.400 -0.070 0.000 0.830 951 E CB -0.080 29.585 29.700 -0.059 0.000 0.775 951 E HN 0.552 nan 8.360 nan 0.000 0.470 952 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 3.821 4.170 -0.005 0.000 0.234 953 I C 2.685 178.715 176.117 -0.145 0.000 1.031 953 I CA 1.858 63.076 61.300 -0.137 0.000 1.305 953 I CB -0.717 37.200 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 2.259 54.217 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 1.327 57.326 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 2.363 179.275 176.870 0.068 0.000 1.073 956 L CA 1.582 56.388 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 -1.176 119.317 120.500 -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 0.208 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 0.195 175.498 175.328 -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 64.702 63.200 -0.201 0.000 1.165 959 S HN 0.323 nan 8.310 nan 0.000 0.544 960 T N 3.441 117.970 114.554 -0.042 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 1.122 69.980 68.868 -0.017 0.000 0.932 960 T HN 0.410 nan 8.240 nan 0.000 0.469 961 P HA 0.145 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 0.706 63.779 63.100 -0.045 0.000 0.761 961 P CB 0.281 31.959 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 1.933 121.826 119.914 -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 0.001 62.279 62.300 -0.037 0.000 1.063 963 V CB 1.679 33.486 31.823 -0.027 0.000 0.994 963 V HN 0.483 nan 8.190 nan 0.000 0.483 964 M N 4.253 123.817 119.600 -0.061 0.000 2.245 964 M HA 0.305 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 0.113 55.363 55.300 -0.083 0.000 1.135 964 M CB 0.306 32.871 32.600 -0.058 0.000 1.574 964 M HN 0.484 nan 8.290 nan 0.000 0.452 965 L N 7.015 128.196 121.223 -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 0.336 42.315 42.059 -0.133 0.000 1.280 965 L HN 0.609 nan 8.230 nan 0.000 0.449 966 I N 1.061 121.680 120.570 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 61.453 61.300 0.082 0.000 1.311 966 I CB 1.674 39.725 38.000 0.084 0.000 1.401 966 I HN 0.451 nan 8.210 nan 0.000 0.491 967 S N 7.091 122.818 115.700 0.045 0.000 2.669 967 S HA 0.450 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 -0.931 57.226 58.200 -0.071 0.000 0.991 967 S CB 1.097 64.232 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 -2.104 175.135 177.300 -0.101 0.000 1.276 968 P CA -1.655 61.321 63.100 -0.207 0.000 0.808 968 P CB 0.565 32.031 31.700 -0.391 0.000 0.966 969 P HA -0.036 nan 4.420 nan 0.000 0.216 969 P C -1.871 175.409 177.300 -0.033 0.000 1.150 969 P CA 1.908 64.996 63.100 -0.020 0.000 0.837 969 P CB -1.641 30.070 31.700 0.019 0.000 0.786 970 P HA 0.136 nan 4.420 nan 0.000 0.296 970 P C -0.498 176.741 177.300 -0.102 0.000 1.310 970 P CA -0.474 62.605 63.100 -0.035 0.000 0.900 970 P CB 0.945 32.618 31.700 -0.045 0.000 1.111 971 H N 1.886 120.912 119.070 -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 0.641 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 2.333 121.208 119.070 -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 0.349 29.606 29.762 -0.841 0.000 1.339 972 H HN 0.626 nan 8.280 nan 0.000 0.604 973 D N -0.092 119.973 120.400 -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 -0.377 0.000 1.369 973 D CA -0.238 53.410 54.000 -0.588 0.000 0.827 973 D CB -0.581 39.804 40.800 -0.692 0.000 1.141 973 D HN 0.191 nan 8.370 nan 0.000 0.464 974 I N 1.219 121.593 120.570 -0.326 0.000 2.743 974 I HA 0.063 4.230 4.170 -0.005 0.000 0.268 974 I C -0.784 175.381 176.117 0.079 0.000 1.441 974 I CA -0.493 60.733 61.300 -0.123 0.000 0.912 974 I CB 0.794 38.723 38.000 -0.119 0.000 1.410 974 I HN -0.089 nan 8.210 nan 0.000 0.540 975 Y N 1.931 122.214 120.300 -0.027 0.000 2.485 975 Y HA 0.318 4.865 4.550 -0.005 0.000 0.260 975 Y C 1.114 176.997 175.900 -0.028 0.000 1.173 975 Y CA -0.770 57.318 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 -1.999 113.757 115.700 0.093 0.000 2.633 976 S HA 0.171 4.639 4.470 -0.005 0.000 0.271 976 S C 0.319 174.862 174.600 -0.094 0.000 1.112 976 S CA -0.697 57.500 58.200 -0.004 0.000 0.828 976 S CB -0.049 63.151 63.200 -0.001 0.000 1.086 976 S HN 0.068 nan 8.310 nan 0.000 0.461 977 I N 1.663 122.121 120.570 -0.187 0.000 2.361 977 I HA -0.183 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 2.183 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 0.358 120.348 120.200 -0.350 0.000 2.051 978 E HA -0.263 4.084 4.350 -0.005 0.000 0.192 978 E C 1.558 178.098 176.600 -0.101 0.000 0.991 978 E CA 1.513 57.800 56.400 -0.188 0.000 0.799 978 E CB -0.547 29.126 29.700 -0.045 0.000 0.748 978 E HN 0.506 nan 8.360 nan 0.000 0.449 979 D N 1.356 121.713 120.400 -0.072 0.000 2.106 979 D HA -0.181 4.456 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 0.835 54.812 54.000 -0.039 0.000 0.834 979 D CB -0.513 40.282 40.800 -0.007 0.000 0.956 979 D HN 0.092 nan 8.370 nan 0.000 0.448 980 L N 1.179 122.338 121.223 -0.107 0.000 2.021 980 L HA -0.227 4.110 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 -0.923 41.064 42.059 -0.120 0.000 0.889 980 L HN 0.026 nan 8.230 nan 0.000 0.433 981 A N -1.222 121.557 122.820 -0.067 0.000 1.940 981 A HA -0.301 4.016 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 1.855 53.889 52.037 -0.003 0.000 0.631 981 A CB -0.712 18.305 19.000 0.029 0.000 0.814 981 A HN 0.637 nan 8.150 nan 0.000 0.446 982 Q N -0.315 119.491 119.800 0.009 0.000 2.167 982 Q HA -0.028 4.309 4.340 -0.005 0.000 0.202 982 Q C 1.847 177.892 176.000 0.076 0.000 0.970 982 Q CA 1.427 57.255 55.803 0.042 0.000 0.855 982 Q CB -0.395 28.363 28.738 0.032 0.000 0.911 982 Q HN 0.637 nan 8.270 nan 0.000 0.438 983 L N -0.241 120.985 121.223 0.005 0.000 2.005 983 L HA -0.130 4.207 4.340 -0.005 0.000 0.207 983 L C 2.137 179.035 176.870 0.046 0.000 1.072 983 L CA 1.453 56.293 54.840 -0.001 0.000 0.744 983 L CB -0.323 41.696 42.059 -0.067 0.000 0.895 983 L HN 0.367 nan 8.230 nan 0.000 0.433 984 I N -1.117 119.473 120.570 0.034 0.000 2.315 984 I HA -0.380 3.788 4.170 -0.005 0.000 0.251 984 I C 2.434 178.604 176.117 0.088 0.000 1.125 984 I CA 1.383 62.709 61.300 0.043 0.000 1.392 984 I CB -0.517 37.505 38.000 0.036 0.000 1.065 984 I HN 0.342 nan 8.210 nan 0.000 0.424 985 Y N 2.330 122.632 120.300 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 37.961 38.460 0.005 0.000 0.981 985 Y HN 0.178 nan 8.280 nan 0.000 0.487 986 D N 0.359 120.814 120.400 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 56.203 54.000 0.081 0.000 0.849 986 D CB -0.799 40.095 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 4.165 4.340 -0.005 0.000 0.210 987 L C 2.197 179.022 176.870 -0.074 0.000 1.076 987 L CA 1.261 56.098 54.840 -0.005 0.000 0.749 987 L CB -0.454 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 -0.480 119.860 120.400 -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 32.529 32.500 -0.114 0.000 0.788 988 K HN 0.361 nan 8.250 nan 0.000 0.488 989 Q N 0.458 120.126 119.800 -0.219 0.000 2.226 989 Q HA 0.023 4.361 4.340 -0.005 0.000 0.199 989 Q C 2.062 177.999 176.000 -0.104 0.000 0.945 989 Q CA 0.658 56.331 55.803 -0.217 0.000 0.861 989 Q CB -0.025 28.547 28.738 -0.277 0.000 0.953 989 Q HN 0.238 nan 8.270 nan 0.000 0.490 990 I N 0.920 121.456 120.570 -0.058 0.000 2.761 990 I HA -0.064 4.103 4.170 -0.005 0.000 0.261 990 I C 0.051 176.103 176.117 -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 -0.072 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 -2.085 50.887 53.050 -0.130 0.000 0.822 991 N CB 1.275 39.670 38.487 -0.154 0.000 1.199 991 N HN -0.015 nan 8.380 nan 0.000 0.529 992 P HA -0.032 nan 4.420 nan 0.000 0.228 992 P C -0.111 177.138 177.300 -0.085 0.000 1.151 992 P CA 0.909 63.953 63.100 -0.094 0.000 0.770 992 P CB 0.690 32.336 31.700 -0.090 0.000 0.786 993 D N -0.513 119.832 120.400 -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 0.182 54.133 54.000 -0.082 0.000 0.868 993 D CB 0.103 40.851 40.800 -0.086 0.000 0.953 993 D HN 0.108 nan 8.370 nan 0.000 0.514 994 A N 0.873 123.638 122.820 -0.091 0.000 2.322 994 A HA 0.324 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 -0.303 51.681 52.037 -0.088 0.000 0.807 994 A CB 0.842 19.776 19.000 -0.110 0.000 1.047 994 A HN -0.145 nan 8.150 nan 0.000 0.487 995 K N 0.447 120.809 120.400 -0.063 0.000 2.154 995 K HA 0.508 4.825 4.320 -0.005 0.000 0.264 995 K C -0.896 175.672 176.600 -0.053 0.000 1.008 995 K CA -0.381 55.875 56.287 -0.051 0.000 0.937 995 K CB 1.418 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 1.617 121.506 119.914 -0.042 0.000 2.581 996 V HA 0.340 4.457 4.120 -0.005 0.000 0.303 996 V C -0.209 175.863 176.094 -0.036 0.000 1.041 996 V CA -0.540 61.735 62.300 -0.041 0.000 0.907 996 V CB 2.081 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 2.939 117.471 114.554 -0.036 0.000 2.900 997 T HA 0.625 4.972 4.350 -0.005 0.000 0.295 997 T C -0.977 173.706 174.700 -0.029 0.000 1.044 997 T CA -0.400 61.680 62.100 -0.033 0.000 0.995 997 T CB 1.944 70.791 68.868 -0.034 0.000 1.072 997 T HN 0.339 nan 8.240 nan 0.000 0.473 998 V N 3.100 122.998 119.914 -0.026 0.000 2.407 998 V HA 0.446 4.563 4.120 -0.005 0.000 0.291 998 V C 0.073 176.163 176.094 -0.007 0.000 1.018 998 V CA -0.889 61.399 62.300 -0.021 0.000 0.842 998 V CB 1.594 33.401 31.823 -0.027 0.000 0.996 998 V HN 0.683 nan 8.190 nan 0.000 0.426 999 K N 5.555 125.959 120.400 0.007 0.000 2.276 999 K HA 0.659 4.976 4.320 -0.005 0.000 0.285 999 K C -1.252 175.370 176.600 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 2.895 124.145 121.223 0.046 0.000 2.333 1000 L HA 0.533 4.870 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 0.084 0.000 1.352 1000 L HN 0.186 nan 8.230 nan 0.000 0.421 1001 V N 0.758 120.782 119.914 0.183 0.000 2.417 1001 V HA 0.275 4.393 4.120 -0.005 0.000 0.291 1001 V C 0.311 176.585 176.094 0.299 0.000 1.024 1001 V CA -0.447 61.969 62.300 0.192 0.000 0.861 1001 V CB 1.827 33.705 31.823 0.091 0.000 0.985 1001 V HN 0.872 nan 8.190 nan 0.000 0.436 1002 S N 6.714 122.547 115.700 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 0.176 58.497 58.200 0.202 0.000 1.048 1002 S CB 0.240 63.551 63.200 0.185 0.000 0.844 1002 S HN 1.053 nan 8.310 nan 0.000 0.512 1003 R N 1.360 121.950 120.500 0.150 0.000 3.231 1003 R HA 0.324 4.661 4.340 -0.005 0.000 0.279 1003 R C -1.301 175.002 176.300 0.006 0.000 0.990 1003 R CA -0.140 56.009 56.100 0.081 0.000 0.879 1003 R CB -0.102 30.185 30.300 -0.022 0.000 1.289 1003 R HN 0.864 nan 8.270 nan 0.000 0.529 1004 S N 0.759 116.451 115.700 -0.014 0.000 2.548 1004 S HA 0.542 5.010 4.470 -0.005 0.000 0.277 1004 S C 1.053 175.628 174.600 -0.042 0.000 1.315 1004 S CA 0.683 58.876 58.200 -0.012 0.000 1.050 1004 S CB 1.148 64.347 63.200 -0.001 0.000 0.918 1004 S HN 1.797 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 -0.243 3.715 3.960 -0.005 0.000 0.206 1005 G HA3 -0.243 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 0.033 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 1.550 122.114 120.570 -0.010 0.000 2.286 1006 I HA 0.021 4.188 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 63.678 61.300 0.009 0.000 1.392 1006 I CB -0.462 37.560 38.000 0.038 0.000 1.065 1006 I HN 0.260 nan 8.210 nan 0.000 0.418 1007 G N -0.130 108.686 108.800 0.027 0.000 2.529 1007 G HA2 -0.344 3.614 3.960 -0.005 0.000 0.219 1007 G HA3 -0.344 3.614 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 1.512 46.631 45.100 0.033 0.000 0.773 1007 G HN 0.358 nan 8.290 nan 0.000 0.573 1008 T N 1.181 115.754 114.554 0.031 0.000 2.516 1008 T HA -0.185 4.163 4.350 -0.005 0.000 0.261 1008 T C 2.402 177.120 174.700 0.029 0.000 1.130 1008 T CA 1.608 63.730 62.100 0.038 0.000 1.193 1008 T CB -0.347 68.537 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 2.762 178.884 176.117 0.009 0.000 1.081 1009 I CA 1.484 62.786 61.300 0.003 0.000 1.340 1009 I CB -0.509 37.488 38.000 -0.005 0.000 1.036 1009 I HN 0.264 nan 8.210 nan 0.000 0.417 1010 A N 0.490 123.319 122.820 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 2.117 54.172 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 46.771 45.100 0.068 0.000 0.766 1012 G HN 0.371 nan 8.290 nan 0.000 0.583 1013 V N 1.587 121.505 119.914 0.007 0.000 2.252 1013 V HA -0.224 3.893 4.120 -0.005 0.000 0.249 1013 V C 3.370 179.476 176.094 0.020 0.000 1.056 1013 V CA 2.413 64.712 62.300 -0.001 0.000 1.022 1013 V CB -1.053 30.765 31.823 -0.008 0.000 0.641 1013 V HN 0.535 nan 8.190 nan 0.000 0.445 1014 A N -0.548 122.285 122.820 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 1.824 53.874 52.037 0.023 0.000 0.636 1014 A CB -0.415 18.592 19.000 0.012 0.000 0.810 1014 A HN 0.592 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 0.091 4.409 4.320 -0.005 0.000 0.199 1015 K C 1.441 178.121 176.600 0.132 0.000 1.045 1015 K CA 0.822 57.165 56.287 0.093 0.000 0.962 1015 K CB -0.145 32.440 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 51.883 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 -1.861 116.876 118.700 0.063 0.000 2.815 1017 N HA -0.151 4.586 4.740 -0.005 0.000 0.249 1017 N C -0.039 175.490 175.510 0.031 0.000 1.114 1017 N CA 0.953 54.034 53.050 0.051 0.000 0.717 1017 N CB -1.622 36.909 38.487 0.074 0.000 1.074 1017 N HN 0.796 nan 8.380 nan 0.000 0.555 1018 A N -0.229 122.602 122.820 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 -0.335 51.703 52.037 0.001 0.000 0.821 1018 A CB 0.534 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 1.087 121.478 120.400 -0.015 0.000 2.333 1019 D HA 0.153 4.791 4.640 -0.005 0.000 0.208 1019 D C 0.138 176.419 176.300 -0.032 0.000 0.984 1019 D CA 1.187 55.174 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 0.550 121.098 120.570 -0.037 0.000 2.769 1020 I HA 0.329 4.496 4.170 -0.005 0.000 0.298 1020 I C -0.912 175.178 176.117 -0.046 0.000 1.128 1020 I CA -0.770 60.500 61.300 -0.050 0.000 1.031 1020 I CB 3.106 41.072 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 4.564 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 60.498 61.300 -0.041 0.000 1.088 1021 I CB 2.298 40.283 38.000 -0.026 0.000 1.267 1021 I HN 0.274 nan 8.210 nan 0.000 0.430 1022 L N 8.040 129.238 121.223 -0.042 0.000 2.325 1022 L HA 0.632 4.969 4.340 -0.005 0.000 0.281 1022 L C -1.238 175.617 176.870 -0.025 0.000 1.004 1022 L CA -0.080 54.728 54.840 -0.054 0.000 0.823 1022 L CB 1.252 43.283 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 4.592 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 1.659 39.684 38.000 0.041 0.000 1.345 1023 I HN 0.533 nan 8.210 nan 0.000 0.461 1024 S N 3.800 119.533 115.700 0.055 0.000 2.462 1024 S HA 0.647 5.114 4.470 -0.005 0.000 0.294 1024 S C 0.450 175.133 174.600 0.138 0.000 1.144 1024 S CA -0.738 57.502 58.200 0.067 0.000 1.088 1024 S CB 1.380 64.607 63.200 0.045 0.000 1.009 1024 S HN 0.817 nan 8.310 nan 0.000 0.484 1025 G N 2.099 111.021 108.800 0.202 0.000 2.594 1025 G HA2 0.073 4.030 3.960 -0.005 0.000 0.243 1025 G HA3 0.073 4.030 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 54.789 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 -0.798 114.931 115.700 0.049 0.000 2.701 1027 S HA 0.240 4.707 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 -0.755 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 0.333 109.176 108.800 0.072 0.000 2.651 1028 G HA2 0.524 4.481 3.960 -0.005 0.000 0.260 1028 G HA3 0.524 4.481 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 44.814 45.100 0.081 0.000 0.913 1028 G HN 0.533 nan 8.290 nan 0.000 0.535 1029 G N -1.964 106.876 108.800 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 -0.376 174.542 174.900 0.029 0.000 1.211 1029 G CA 0.398 45.528 45.100 0.051 0.000 0.950 1029 G HN 1.029 nan 8.290 nan 0.000 0.504 1030 T N -2.532 112.035 114.554 0.022 0.000 2.977 1030 T HA 0.468 4.815 4.350 -0.005 0.000 0.345 1030 T C 0.970 175.682 174.700 0.020 0.000 1.562 1030 T CA 0.560 62.668 62.100 0.013 0.000 1.090 1030 T CB 1.102 69.965 68.868 -0.008 0.000 1.383 1030 T HN 0.968 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 4.491 3.960 -0.005 0.000 0.214 1031 G HA3 0.533 4.491 3.960 -0.005 0.000 0.214 1031 G C 0.497 175.423 174.900 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 -1.152 121.669 122.820 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 1.289 20.288 19.000 -0.002 0.000 1.281 1032 A HN 1.061 nan 8.150 nan 0.000 0.402 1033 S N 1.648 117.287 115.700 -0.103 0.000 2.678 1033 S HA 0.650 5.117 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 1.306 64.467 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 0.273 177.535 177.300 -0.065 0.000 1.233 1034 P CA -0.120 62.947 63.100 -0.055 0.000 0.789 1034 P CB 0.368 32.056 31.700 -0.021 0.000 0.951 1035 Q N 0.073 119.836 119.800 -0.061 0.000 2.354 1035 Q HA -0.044 4.293 4.340 -0.005 0.000 0.203 1035 Q C 1.733 177.681 176.000 -0.086 0.000 0.933 1035 Q CA 1.396 57.166 55.803 -0.055 0.000 0.901 1035 Q CB -0.661 28.042 28.738 -0.057 0.000 1.007 1035 Q HN 0.631 nan 8.270 nan 0.000 0.495 1036 T N -1.072 113.445 114.554 -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 1.654 63.697 62.100 -0.095 0.000 1.146 1036 T CB -0.318 68.635 68.868 0.141 0.000 0.865 1036 T HN 0.071 nan 8.240 nan 0.000 0.435 1037 S N 1.637 117.304 115.700 -0.054 0.000 2.447 1037 S HA 0.150 4.617 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 0.756 58.930 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 0.564 121.043 120.570 -0.152 0.000 2.676 1038 I HA -0.036 4.131 4.170 -0.005 0.000 0.259 1038 I C 1.757 177.720 176.117 -0.256 0.000 1.194 1038 I CA 0.927 62.129 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 -0.596 119.521 120.400 -0.473 0.000 2.438 1039 K HA 0.227 4.545 4.320 -0.005 0.000 0.206 1039 K C 0.302 176.529 176.600 -0.621 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 -0.552 119.320 119.950 -0.129 0.000 2.883 1040 F HA 0.353 4.878 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 -1.201 56.694 58.000 -0.175 0.000 1.130 1040 F CB -0.459 38.212 39.000 -0.548 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 0.657 4.975 4.320 -0.005 0.000 0.283 1041 A C 1.076 178.738 177.584 0.131 0.000 1.206 1041 A CA 0.259 52.390 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 0.867 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 0.186 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 1.113 122.433 121.223 0.161 0.000 2.466 1043 L HA 0.605 4.942 4.340 -0.005 0.000 0.258 1043 L C -2.139 174.778 176.870 0.079 0.000 0.973 1043 L CA -1.799 53.108 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 0.331 177.641 177.300 0.015 0.000 1.186 1044 P CA 0.120 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 2.264 123.577 121.300 0.021 0.000 2.402 1045 W HA -0.112 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 0.722 58.080 57.345 0.022 0.000 1.257 1045 W CB -1.565 27.905 29.460 0.017 0.000 1.120 1045 W HN 0.285 nan 8.180 nan 0.000 0.551 1046 E N 1.046 121.132 120.200 -0.191 0.000 2.097 1046 E HA -0.241 4.107 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 2.663 59.002 56.400 -0.101 0.000 0.804 1046 E CB -0.709 28.770 29.700 -0.369 0.000 0.740 1046 E HN 0.304 nan 8.360 nan 0.000 0.454 1047 M N -0.289 119.318 119.600 0.011 0.000 2.150 1047 M HA -0.015 4.463 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 1.770 57.094 55.300 0.042 0.000 1.108 1047 M CB -1.302 31.315 32.600 0.028 0.000 1.263 1047 M HN 0.278 nan 8.290 nan 0.000 0.431 1048 G N 1.224 110.088 108.800 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 1.646 46.816 45.100 0.118 0.000 0.765 1048 G HN 0.347 nan 8.290 nan 0.000 0.595 1049 L N 1.791 123.117 121.223 0.173 0.000 1.971 1049 L HA -0.143 4.194 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 3.079 58.005 54.840 0.144 0.000 0.758 1049 L CB -0.995 41.187 42.059 0.206 0.000 0.889 1049 L HN 0.372 nan 8.230 nan 0.000 0.433 1050 S N -1.409 114.368 115.700 0.130 0.000 2.368 1050 S HA -0.236 4.231 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 1.074 59.354 58.200 0.133 0.000 0.999 1050 S CB -0.814 62.452 63.200 0.109 0.000 0.844 1050 S HN 0.605 nan 8.310 nan 0.000 0.459 1051 E N 1.145 121.398 120.200 0.089 0.000 2.037 1051 E HA -0.209 4.139 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 0.642 120.601 119.914 0.074 0.000 2.222 1052 V HA -0.348 3.769 4.120 -0.005 0.000 0.252 1052 V C 2.414 178.565 176.094 0.096 0.000 1.060 1052 V CA 2.554 64.895 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 -0.184 118.881 119.070 -0.007 0.000 2.394 1053 H HA -0.209 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 2.535 58.569 56.048 -0.025 0.000 1.277 1053 H CB -0.151 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 -0.914 118.898 119.800 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 1.749 121.663 119.914 -0.000 0.000 2.226 1055 V HA -0.361 3.757 4.120 -0.005 0.000 0.254 1055 V C 2.365 178.466 176.094 0.013 0.000 1.065 1055 V CA 2.020 64.336 62.300 0.026 0.000 1.039 1055 V CB -0.839 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 -0.668 120.552 121.223 -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 -0.920 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 1.853 176.540 174.700 -0.023 0.000 1.042 1057 T CA 0.633 62.655 62.100 -0.130 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 1.235 122.461 121.223 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 0.147 0.000 1.148 1058 L CA 1.270 56.163 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 -0.261 118.480 118.700 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 0.753 121.265 120.500 0.019 0.000 3.416 1060 R HA -0.157 4.180 4.340 -0.005 0.000 0.263 1060 R C 0.244 176.565 176.300 0.035 0.000 1.053 1060 R CA 0.340 56.466 56.100 0.044 0.000 0.705 1060 R CB -1.810 28.507 30.300 0.029 0.000 1.124 1060 R HN 0.379 nan 8.270 nan 0.000 0.444 1061 L N -1.246 119.986 121.223 0.016 0.000 2.781 1061 L HA 0.116 4.453 4.340 -0.005 0.000 0.245 1061 L C 1.794 178.664 176.870 -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 1.096 57.115 56.100 -0.136 0.000 1.121 1062 R CB -0.646 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 -1.809 117.197 119.070 -0.107 0.000 3.078 1063 H HA 0.248 4.802 4.556 -0.003 0.000 0.263 1063 H C 0.793 176.067 175.328 -0.090 0.000 1.177 1063 H CA -0.167 55.776 56.048 -0.175 0.000 1.128 1063 H CB 0.672 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 0.301 120.815 120.500 0.025 0.000 2.265 1064 R HA 0.190 4.527 4.340 -0.005 0.000 0.194 1064 R C -0.055 176.245 176.300 -0.000 0.000 0.931 1064 R CA 0.207 56.323 56.100 0.027 0.000 1.032 1064 R CB 1.034 31.351 30.300 0.027 0.000 0.980 1064 R HN -0.090 nan 8.270 nan 0.000 0.497 1065 V N 0.488 120.387 119.914 -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 2.300 34.106 31.823 -0.028 0.000 1.033 1065 V HN 0.072 nan 8.190 nan 0.000 0.429 1066 R N 3.522 123.984 120.500 -0.063 0.000 2.428 1066 R HA 0.646 4.984 4.340 -0.005 0.000 0.294 1066 R C -1.240 175.001 176.300 -0.099 0.000 1.000 1066 R CA -0.576 55.472 56.100 -0.087 0.000 0.960 1066 R CB 1.283 31.533 30.300 -0.084 0.000 1.076 1066 R HN 0.545 nan 8.270 nan 0.000 0.475 1067 L N 3.238 124.384 121.223 -0.128 0.000 2.317 1067 L HA 0.583 4.921 4.340 -0.005 0.000 0.281 1067 L C 0.057 176.789 176.870 -0.230 0.000 1.024 1067 L CA -0.706 54.047 54.840 -0.145 0.000 0.810 1067 L CB 1.777 43.759 42.059 -0.128 0.000 1.240 1067 L HN 0.511 nan 8.230 nan 0.000 0.427 1068 R N 0.782 121.148 120.500 -0.223 0.000 2.795 1068 R HA 0.692 5.030 4.340 -0.005 0.000 0.275 1068 R C -1.253 174.883 176.300 -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 0.647 nan 8.270 nan 0.000 0.469 1069 T N 0.801 115.140 114.554 -0.359 0.000 2.883 1069 T HA 0.486 4.834 4.350 -0.005 0.000 0.301 1069 T C -2.092 172.401 174.700 -0.344 0.000 1.158 1069 T CA -0.544 61.346 62.100 -0.351 0.000 1.007 1069 T CB 1.431 70.012 68.868 -0.478 0.000 1.186 1069 T HN 0.783 nan 8.240 nan 0.000 0.499 1070 D N -0.219 119.994 120.400 -0.312 0.000 2.623 1070 D HA 0.579 5.216 4.640 -0.005 0.000 0.241 1070 D C -0.257 175.981 176.300 -0.103 0.000 1.241 1070 D CA -0.217 53.657 54.000 -0.209 0.000 0.788 1070 D CB 1.045 41.791 40.800 -0.091 0.000 1.413 1070 D HN 1.016 nan 8.370 nan 0.000 0.429 1071 G N -0.918 107.904 108.800 0.037 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 0.723 175.804 174.900 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 0.197 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 -0.126 121.195 121.223 0.164 0.000 2.477 1073 L HA 0.350 4.687 4.340 -0.005 0.000 0.272 1073 L C 1.418 178.340 176.870 0.087 0.000 1.157 1073 L CA 0.438 55.337 54.840 0.099 0.000 0.889 1073 L CB 0.835 42.879 42.059 -0.025 0.000 1.158 1073 L HN 0.148 nan 8.230 nan 0.000 0.473 1074 K N 1.006 121.446 120.400 0.066 0.000 2.438 1074 K HA 0.243 4.560 4.320 -0.005 0.000 0.206 1074 K C -0.221 176.479 176.600 0.168 0.000 1.081 1074 K CA 0.089 56.466 56.287 0.150 0.000 1.053 1074 K CB 1.174 33.660 32.500 -0.023 0.000 0.908 1074 K HN 0.600 nan 8.250 nan 0.000 0.556 1075 T N -1.743 112.846 114.554 0.058 0.000 2.853 1075 T HA 0.218 4.565 4.350 -0.005 0.000 0.311 1075 T C 0.813 175.539 174.700 0.043 0.000 1.307 1075 T CA -0.418 61.717 62.100 0.058 0.000 1.019 1075 T CB 1.736 70.559 68.868 -0.075 0.000 1.264 1075 T HN 0.117 nan 8.240 nan 0.000 0.497 1076 G N 1.489 110.357 108.800 0.114 0.000 2.586 1076 G HA2 -0.293 3.665 3.960 -0.005 0.000 0.218 1076 G HA3 -0.293 3.665 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 1.800 46.948 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 4.205 4.340 -0.005 0.000 0.239 1077 R C 1.989 178.296 176.300 0.012 0.000 1.137 1077 R CA 2.082 58.184 56.100 0.004 0.000 0.943 1077 R CB -1.006 29.292 30.300 -0.003 0.000 0.850 1077 R HN 0.196 nan 8.270 nan 0.000 0.433 1078 D N 0.542 120.954 120.400 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 -0.112 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 -0.490 120.023 120.570 -0.094 0.000 2.339 1079 I HA -0.171 3.996 4.170 -0.005 0.000 0.245 1079 I C 2.366 178.338 176.117 -0.241 0.000 1.096 1079 I CA 0.217 61.328 61.300 -0.315 0.000 1.408 1079 I CB 0.112 37.786 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 -0.337 3.780 4.120 -0.005 0.000 0.249 1080 V C 2.332 178.436 176.094 0.017 0.000 1.056 1080 V CA 2.143 64.409 62.300 -0.056 0.000 1.022 1080 V CB -0.490 31.321 31.823 -0.020 0.000 0.641 1080 V HN 0.325 nan 8.190 nan 0.000 0.445 1081 I N 0.319 120.927 120.570 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 1.619 62.990 61.300 0.118 0.000 1.355 1081 I CB -0.578 37.515 38.000 0.155 0.000 1.046 1081 I HN 0.330 nan 8.210 nan 0.000 0.413 1082 A N 0.585 123.549 122.820 0.239 0.000 1.940 1082 A HA -0.192 4.125 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 1.903 54.069 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 0.460 nan 8.150 nan 0.000 0.446 1083 A N -0.370 122.576 122.820 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 1.820 53.955 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 -0.075 4.402 4.480 -0.005 0.000 0.263 1084 M C 1.683 177.950 176.300 -0.056 0.000 1.062 1084 M CA 1.123 56.392 55.300 -0.051 0.000 1.105 1084 M CB -0.455 32.123 32.600 -0.036 0.000 1.385 1084 M HN 0.311 nan 8.290 nan 0.000 0.417 1085 L N -0.624 120.597 121.223 -0.002 0.000 2.551 1085 L HA 0.005 4.343 4.340 -0.005 0.000 0.228 1085 L C 1.364 178.122 176.870 -0.186 0.000 1.153 1085 L CA 0.787 55.620 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 0.671 nan 8.230 nan 0.000 0.451 1086 G N -0.959 107.673 108.800 -0.281 0.000 2.273 1086 G HA2 -0.100 3.857 3.960 -0.005 0.000 0.162 1086 G HA3 -0.100 3.857 3.960 -0.005 0.000 0.162 1086 G C 0.243 174.935 174.900 -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 -0.015 122.682 122.820 -0.206 0.000 2.286 1087 A HA 0.815 5.132 4.320 -0.005 0.000 0.286 1087 A C 0.772 178.179 177.584 -0.295 0.000 1.097 1087 A CA 0.532 52.406 52.037 -0.272 0.000 0.821 1087 A CB 0.646 19.444 19.000 -0.336 0.000 1.076 1087 A HN 0.291 nan 8.150 nan 0.000 0.490 1088 E N -0.457 119.489 120.200 -0.423 0.000 2.541 1088 E HA 0.123 4.471 4.350 -0.005 0.000 0.219 1088 E C -0.580 175.716 176.600 -0.506 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 0.763 nan 8.360 nan 0.000 0.516 1089 E N 0.287 119.939 120.200 -0.914 0.000 2.331 1089 E HA 0.371 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 -0.551 55.383 56.400 -0.778 0.000 0.753 1089 E CB 1.867 31.374 29.700 -0.321 0.000 1.216 1089 E HN -0.127 nan 8.360 nan 0.000 0.434 1090 F N 0.028 119.950 119.950 -0.048 0.000 2.520 1090 F HA 0.539 5.063 4.527 -0.005 0.000 0.322 1090 F C 0.695 176.383 175.800 -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 2.758 111.512 108.800 -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 -0.990 173.868 174.900 -0.070 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 3.448 123.986 120.570 -0.052 0.000 2.464 1092 I HA 0.322 4.489 4.170 -0.005 0.000 0.277 1092 I C 1.107 177.284 176.117 0.101 0.000 1.040 1092 I CA -0.489 60.796 61.300 -0.025 0.000 1.153 1092 I CB 1.735 39.610 38.000 -0.208 0.000 1.274 1092 I HN 0.629 nan 8.210 nan 0.000 0.469 1093 G N 2.684 111.540 108.800 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 1.135 176.084 174.900 0.083 0.000 1.731 1093 G CA 0.635 45.791 45.100 0.094 0.000 0.858 1093 G HN 0.384 nan 8.290 nan 0.000 0.611 1094 T N 2.040 116.637 114.554 0.071 0.000 2.572 1094 T HA -0.344 4.004 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 3.033 65.132 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 1.344 124.223 122.820 0.098 0.000 1.948 1095 A HA -0.165 4.152 4.320 -0.005 0.000 0.220 1095 A C 2.555 180.182 177.584 0.072 0.000 1.177 1095 A CA 2.688 54.784 52.037 0.099 0.000 0.636 1095 A CB -0.898 18.330 19.000 0.380 0.000 0.815 1095 A HN 0.709 nan 8.150 nan 0.000 0.449 1096 S N 0.037 115.816 115.700 0.132 0.000 2.402 1096 S HA -0.040 4.427 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 1.186 59.463 58.200 0.129 0.000 0.974 1096 S CB -0.689 62.635 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 4.253 4.340 -0.005 0.000 0.210 1097 L C 2.606 179.444 176.870 -0.053 0.000 1.076 1097 L CA 1.574 56.409 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 -0.257 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 1.030 62.209 61.300 -0.202 0.000 1.425 1098 I CB -0.204 37.535 38.000 -0.434 0.000 1.079 1098 I HN 0.213 nan 8.210 nan 0.000 0.425 1099 A N 0.177 122.961 122.820 -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 0.921 52.939 52.037 -0.031 0.000 0.638 1099 A CB -0.381 18.626 19.000 0.010 0.000 0.812 1099 A HN 0.338 nan 8.150 nan 0.000 0.446 1100 M N -0.957 118.632 119.600 -0.018 0.000 2.686 1100 M HA 0.093 4.571 4.480 -0.005 0.000 0.246 1100 M C 1.292 177.544 176.300 -0.080 0.000 1.096 1100 M CA 0.960 56.249 55.300 -0.019 0.000 1.076 1100 M CB 0.049 32.739 32.600 0.150 0.000 1.504 1100 M HN 0.657 nan 8.290 nan 0.000 0.524 1101 G N -0.106 108.656 108.800 -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 44.769 45.100 -0.062 0.000 0.670 1101 G HN 0.471 nan 8.290 nan 0.000 0.496 1102 C N 1.450 120.728 119.300 -0.037 0.000 2.679 1102 C HA 0.536 4.993 4.460 -0.005 0.000 0.417 1102 C C 2.100 177.051 174.990 -0.065 0.000 1.302 1102 C CA 0.687 59.677 59.018 -0.046 0.000 1.973 1102 C CB -0.581 27.107 27.740 -0.088 0.000 2.715 1102 C HN 0.796 nan 8.230 nan 0.000 0.628 1103 I N 3.178 123.727 120.570 -0.034 0.000 4.081 1103 I HA 0.372 4.539 4.170 -0.005 0.000 0.333 1103 I C 0.507 176.620 176.117 -0.007 0.000 1.413 1103 I CA -0.141 61.150 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 0.563 nan 8.210 nan 0.000 0.402 1104 M N 1.426 121.008 119.600 -0.031 0.000 2.417 1104 M HA -0.139 4.338 4.480 -0.005 0.000 0.205 1104 M C 0.129 176.451 176.300 0.037 0.000 0.452 1104 M CA 0.224 55.518 55.300 -0.011 0.000 0.512 1104 M CB -1.678 30.922 32.600 -0.001 0.000 1.774 1104 M HN 0.241 nan 8.290 nan 0.000 0.874 1105 V N 0.641 120.575 119.914 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 -0.262 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 0.959 121.504 120.500 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 -1.904 28.474 30.300 0.130 0.000 1.095 1106 R HN 0.699 nan 8.270 nan 0.000 0.443 1107 Q N -1.240 118.623 119.800 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 0.421 nan 8.270 nan 0.000 0.441 1108 C N 0.763 120.180 119.300 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 0.939 60.065 59.018 0.180 0.000 1.738 1108 C CB -1.033 26.794 27.740 0.145 0.000 1.987 1108 C HN 0.691 nan 8.230 nan 0.000 0.492 1109 H N 0.360 119.475 119.070 0.075 0.000 2.529 1109 H HA 0.079 4.632 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 57.208 56.048 0.098 0.000 1.256 1109 H CB -0.906 28.906 29.762 0.083 0.000 1.402 1109 H HN 0.378 nan 8.280 nan 0.000 0.566 1110 S N 0.553 116.157 115.700 -0.160 0.000 2.470 1110 S HA -0.087 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 -0.245 175.264 175.510 -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 36.933 38.487 0.239 0.000 1.040 1111 N HN 0.537 nan 8.380 nan 0.000 0.555 1112 T N -2.670 111.870 114.554 -0.023 0.000 3.630 1112 T HA 0.370 4.718 4.350 -0.005 0.000 0.238 1112 T C 0.160 174.853 174.700 -0.012 0.000 1.195 1112 T CA -0.383 61.695 62.100 -0.036 0.000 1.433 1112 T CB -0.509 68.317 68.868 -0.069 0.000 0.940 1112 T HN 0.336 nan 8.240 nan 0.000 0.641 1113 C N 3.460 122.767 119.300 0.011 0.000 2.349 1113 C HA 0.461 4.918 4.460 -0.005 0.000 0.348 1113 C C -0.787 174.221 174.990 0.029 0.000 1.223 1113 C CA -1.675 57.358 59.018 0.024 0.000 1.746 1113 C CB 0.324 28.090 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 0.643 177.964 177.300 0.036 0.000 1.149 1114 P CA 1.532 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 -3.735 116.215 119.914 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 32.013 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 0.662 175.673 174.900 0.184 0.000 0.976 1116 G CA 0.796 46.021 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 4.139 4.120 -0.005 0.000 0.238 1117 V C 2.003 178.118 176.094 0.036 0.000 1.039 1117 V CA 1.793 64.166 62.300 0.122 0.000 1.017 1117 V CB 0.068 31.990 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 0.005 175.017 174.990 0.037 0.000 1.090 1118 C CA -0.547 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 3.142 123.067 119.914 0.018 0.000 2.891 1119 V HA 0.364 4.481 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 34.022 31.823 0.033 0.000 1.037 1119 V HN 0.461 nan 8.190 nan 0.000 0.427 1120 Q N 2.015 121.828 119.800 0.022 0.000 2.269 1120 Q HA 0.084 4.421 4.340 -0.005 0.000 0.201 1120 Q C 0.584 176.586 176.000 0.003 0.000 0.946 1120 Q CA 1.055 56.859 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 1.119 121.530 120.400 0.017 0.000 2.493 1121 D HA -0.099 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 0.227 54.230 54.000 0.005 0.000 0.872 1121 D CB 0.663 41.462 40.800 -0.002 0.000 1.173 1121 D HN -0.165 nan 8.370 nan 0.000 0.467 1122 D N 2.986 123.382 120.400 -0.007 0.000 2.092 1122 D HA -0.161 4.476 4.640 -0.005 0.000 0.193 1122 D C 1.537 177.837 176.300 0.001 0.000 0.994 1122 D CA 1.209 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 -0.065 120.334 120.400 -0.001 0.000 2.097 1123 K HA -0.124 4.194 4.320 -0.005 0.000 0.206 1123 K C 2.023 178.630 176.600 0.012 0.000 1.049 1123 K CA 0.366 56.655 56.287 0.003 0.000 0.933 1123 K CB -0.024 32.473 32.500 -0.004 0.000 0.717 1123 K HN 0.058 nan 8.250 nan 0.000 0.442 1124 L N 1.336 122.565 121.223 0.011 0.000 2.056 1124 L HA -0.100 4.237 4.340 -0.005 0.000 0.207 1124 L C 1.964 178.860 176.870 0.044 0.000 1.078 1124 L CA 1.533 56.386 54.840 0.022 0.000 0.749 1124 L CB -0.587 41.481 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 -0.155 4.183 4.340 -0.005 0.000 0.230 1125 R C 1.822 178.176 176.300 0.089 0.000 1.121 1125 R CA 0.812 56.941 56.100 0.049 0.000 0.997 1125 R CB -0.177 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 0.291 120.131 119.800 0.067 0.000 2.451 1126 Q HA -0.012 4.325 4.340 -0.005 0.000 0.206 1126 Q C 0.967 177.018 176.000 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 56.251 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 2.140 122.096 119.950 0.009 0.000 2.504 1128 F HA -0.010 4.514 4.527 -0.005 0.000 0.369 1128 F C 0.797 176.604 175.800 0.013 0.000 1.082 1128 F CA -0.515 57.492 58.000 0.012 0.000 1.216 1128 F CB 0.829 39.841 39.000 0.020 0.000 1.108 1128 F HN -0.187 nan 8.300 nan 0.000 0.554 1129 V N 4.589 124.010 119.914 -0.822 0.000 2.915 1129 V HA 0.523 4.641 4.120 -0.005 0.000 0.364 1129 V C 0.669 176.269 176.094 -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 0.281 107.988 108.800 -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 0.210 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 3.176 117.676 114.554 -0.090 0.000 2.971 1131 T HA 0.415 4.762 4.350 -0.005 0.000 0.304 1131 T C -1.709 172.952 174.700 -0.065 0.000 1.038 1131 T CA -0.720 61.350 62.100 -0.050 0.000 1.007 1131 T CB 2.509 71.330 68.868 -0.078 0.000 1.055 1131 T HN 0.180 nan 8.240 nan 0.000 0.451 1132 P HA -0.174 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 1.355 64.370 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 -0.331 119.800 120.200 -0.114 0.000 2.118 1133 E HA -0.188 4.159 4.350 -0.005 0.000 0.195 1133 E C 1.853 178.378 176.600 -0.126 0.000 0.992 1133 E CA 1.290 57.622 56.400 -0.113 0.000 0.804 1133 E CB -0.653 28.999 29.700 -0.080 0.000 0.741 1133 E HN 0.341 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 1.276 57.506 56.287 -0.095 0.000 0.932 1134 K CB -0.552 31.904 32.500 -0.073 0.000 0.715 1134 K HN 0.039 nan 8.250 nan 0.000 0.437 1135 V N 1.964 121.792 119.914 -0.142 0.000 2.233 1135 V HA -0.259 3.858 4.120 -0.005 0.000 0.247 1135 V C 2.569 178.487 176.094 -0.294 0.000 1.050 1135 V CA 1.783 63.961 62.300 -0.204 0.000 1.010 1135 V CB -0.631 31.035 31.823 -0.262 0.000 0.637 1135 V HN 0.042 nan 8.190 nan 0.000 0.444 1136 V N 0.941 120.676 119.914 -0.299 0.000 2.313 1136 V HA -0.373 3.745 4.120 -0.005 0.000 0.253 1136 V C 2.319 178.242 176.094 -0.285 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 -0.028 118.480 118.700 -0.320 0.000 2.069 1137 N HA -0.181 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 1.729 54.424 53.050 -0.593 0.000 0.852 1137 N CB -0.553 37.623 38.487 -0.518 0.000 1.018 1137 N HN 0.435 nan 8.380 nan 0.000 0.423 1138 L N 0.881 121.937 121.223 -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 1.673 56.513 54.840 0.001 0.000 0.755 1138 L CB -1.025 41.172 42.059 0.230 0.000 0.889 1138 L HN -0.053 nan 8.230 nan 0.000 0.432 1139 F N 0.011 119.889 119.950 -0.120 0.000 2.102 1139 F HA -0.155 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 1.562 59.589 58.000 0.045 0.000 1.239 1139 F CB -1.822 37.264 39.000 0.145 0.000 0.991 1139 F HN 0.075 nan 8.300 nan 0.000 0.474 1140 T N 0.714 115.248 114.554 -0.033 0.000 2.721 1140 T HA -0.216 4.132 4.350 -0.005 0.000 0.268 1140 T C 1.772 176.388 174.700 -0.140 0.000 1.038 1140 T CA 1.474 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 0.680 120.505 119.950 -0.208 0.000 2.025 1141 F HA 0.103 4.627 4.527 -0.005 0.000 0.291 1141 F C 2.204 177.896 175.800 -0.180 0.000 1.150 1141 F CA -0.242 57.513 58.000 -0.408 0.000 1.166 1141 F CB -1.502 36.740 39.000 -1.263 0.000 0.995 1141 F HN -0.034 nan 8.300 nan 0.000 0.474 1142 L N 0.569 121.836 121.223 0.074 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 40.215 42.059 0.134 0.000 0.922 1142 L HN 0.252 nan 8.230 nan 0.000 0.449 1143 A N -0.982 122.003 122.820 0.276 0.000 1.842 1143 A HA -0.304 4.013 4.320 -0.005 0.000 0.217 1143 A C 2.246 179.862 177.584 0.053 0.000 1.206 1143 A CA 2.093 54.199 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 0.190 120.388 120.200 -0.003 0.000 2.147 1144 E HA -0.276 4.072 4.350 -0.005 0.000 0.199 1144 E C 1.905 178.556 176.600 0.084 0.000 1.005 1144 E CA 2.065 58.427 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 -0.750 119.584 120.200 0.224 0.000 2.204 1145 E HA -0.141 4.207 4.350 -0.005 0.000 0.195 1145 E C 1.868 178.572 176.600 0.174 0.000 0.990 1145 E CA 1.202 57.789 56.400 0.312 0.000 0.821 1145 E CB -0.013 29.945 29.700 0.431 0.000 0.750 1145 E HN 0.222 nan 8.360 nan 0.000 0.477 1146 V N 1.515 121.504 119.914 0.125 0.000 2.283 1146 V HA -0.214 3.904 4.120 -0.005 0.000 0.243 1146 V C 2.327 178.454 176.094 0.056 0.000 1.039 1146 V CA 2.175 64.516 62.300 0.068 0.000 1.016 1146 V CB -0.466 31.381 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 1.528 57.650 56.100 0.036 0.000 0.989 1147 R CB -0.372 29.935 30.300 0.012 0.000 0.869 1147 R HN 0.586 nan 8.270 nan 0.000 0.459 1148 E N 1.113 121.363 120.200 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 0.302 nan 8.360 nan 0.000 0.449 1149 I N 1.116 121.736 120.570 0.083 0.000 2.208 1149 I HA -0.314 3.853 4.170 -0.005 0.000 0.245 1149 I C 2.290 178.463 176.117 0.093 0.000 1.097 1149 I CA 0.990 62.336 61.300 0.077 0.000 1.363 1149 I CB -0.152 37.887 38.000 0.065 0.000 1.051 1149 I HN 0.147 nan 8.210 nan 0.000 0.413 1150 L N 0.348 121.628 121.223 0.095 0.000 2.017 1150 L HA -0.205 4.133 4.340 -0.005 0.000 0.208 1150 L C 2.776 179.738 176.870 0.154 0.000 1.073 1150 L CA 1.431 56.356 54.840 0.142 0.000 0.745 1150 L CB -0.781 41.351 42.059 0.122 0.000 0.894 1150 L HN 0.226 nan 8.230 nan 0.000 0.432 1151 A N 0.212 123.091 122.820 0.098 0.000 2.070 1151 A HA -0.090 4.227 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 1.483 53.562 52.037 0.069 0.000 0.656 1151 A CB -1.051 17.980 19.000 0.050 0.000 0.800 1151 A HN 0.474 nan 8.150 nan 0.000 0.453 1152 G N -0.207 108.638 108.800 0.074 0.000 2.408 1152 G HA2 -0.090 3.868 3.960 -0.005 0.000 0.217 1152 G HA3 -0.090 3.868 3.960 -0.005 0.000 0.217 1152 G C 1.357 176.299 174.900 0.069 0.000 1.150 1152 G CA 0.924 46.061 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 -0.275 108.484 108.800 -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 0.014 174.688 174.900 -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 -0.639 119.325 119.950 0.024 0.000 2.422 1155 F HA 0.702 5.226 4.527 -0.005 0.000 0.333 1155 F C 1.338 177.149 175.800 0.018 0.000 1.095 1155 F CA -1.021 56.992 58.000 0.022 0.000 1.038 1155 F CB 1.559 40.574 39.000 0.026 0.000 1.156 1155 F HN -0.097 nan 8.300 nan 0.000 0.483 1156 R N 0.709 121.327 120.500 0.196 0.000 2.427 1156 R HA 0.242 4.579 4.340 -0.005 0.000 0.262 1156 R C -0.627 175.731 176.300 0.096 0.000 0.943 1156 R CA 0.131 56.296 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 0.685 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 -0.032 174.589 174.600 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 2.784 124.014 121.223 0.011 0.000 2.083 1158 L HA 0.070 4.408 4.340 -0.005 0.000 0.209 1158 L C 2.395 179.257 176.870 -0.015 0.000 1.083 1158 L CA 1.914 56.752 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 0.228 118.929 118.700 0.002 0.000 2.043 1159 N HA -0.220 4.518 4.740 -0.005 0.000 0.193 1159 N C 1.347 176.847 175.510 -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 -0.017 120.180 120.200 -0.004 0.000 2.516 1160 E HA -0.104 4.243 4.350 -0.005 0.000 0.206 1160 E C 0.703 177.187 176.600 -0.193 0.000 1.107 1160 E CA 0.226 56.621 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 0.456 120.241 119.914 -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 0.131 nan 8.190 nan 0.000 0.436 1162 I N 1.557 122.062 120.570 -0.108 0.000 2.648 1162 I HA 0.322 4.490 4.170 -0.005 0.000 0.284 1162 I C 1.695 177.748 176.117 -0.105 0.000 1.153 1162 I CA 1.562 62.806 61.300 -0.093 0.000 1.426 1162 I CB 0.583 38.539 38.000 -0.074 0.000 1.381 1162 I HN 0.418 nan 8.210 nan 0.000 0.571 1163 G N 5.259 113.961 108.800 -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 0.856 175.740 174.900 -0.025 0.000 0.995 1163 G CA -0.302 44.716 45.100 -0.136 0.000 0.622 1163 G HN 0.583 nan 8.290 nan 0.000 0.538 1164 R N 2.024 122.491 120.500 -0.055 0.000 3.853 1164 R HA 0.080 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 -1.083 29.144 30.300 -0.121 0.000 1.323 1164 R HN 0.752 nan 8.270 nan 0.000 0.741 1165 T N -2.682 111.862 114.554 -0.017 0.000 3.007 1165 T HA -0.146 4.202 4.350 -0.005 0.000 0.270 1165 T C 1.366 176.021 174.700 -0.076 0.000 1.107 1165 T CA 1.078 63.154 62.100 -0.040 0.000 1.118 1165 T CB -0.032 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 2.382 122.757 120.400 -0.041 0.000 2.203 1166 D HA -0.191 4.446 4.640 -0.005 0.000 0.199 1166 D C 1.688 177.927 176.300 -0.101 0.000 0.997 1166 D CA 1.007 54.979 54.000 -0.048 0.000 0.863 1166 D CB -0.606 40.211 40.800 0.029 0.000 0.928 1166 D HN 0.478 nan 8.370 nan 0.000 0.458 1167 L N -0.071 121.126 121.223 -0.044 0.000 2.700 1167 L HA 0.094 4.431 4.340 -0.005 0.000 0.240 1167 L C 0.426 177.225 176.870 -0.119 0.000 1.162 1167 L CA 0.362 55.205 54.840 0.005 0.000 0.874 1167 L CB -0.472 41.630 42.059 0.070 0.000 1.001 1167 L HN 0.022 nan 8.230 nan 0.000 0.447 1168 L N -0.896 120.112 121.223 -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 1.109 43.105 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 -0.508 174.822 175.328 0.003 0.000 1.160 1169 H CA -0.795 55.261 56.048 0.013 0.000 1.218 1169 H CB 1.320 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 -0.683 175.344 176.000 0.044 0.000 0.999 1170 Q CA -0.521 55.309 55.803 0.046 0.000 0.874 1170 Q CB 0.820 29.567 28.738 0.015 0.000 1.215 1170 Q HN 0.615 nan 8.270 nan 0.000 0.470 1171 V N 2.085 122.019 119.914 0.034 0.000 3.174 1171 V HA -0.045 4.072 4.120 -0.005 0.000 0.254 1171 V C 0.960 177.054 176.094 -0.000 0.000 1.120 1171 V CA 0.543 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 0.245 174.831 174.600 -0.023 0.000 0.773 1172 S CA 0.438 58.625 58.200 -0.022 0.000 1.382 1172 S CB -0.764 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 1.626 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 -0.766 108.015 108.800 -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 -1.880 173.004 174.900 -0.027 0.000 1.260 1174 G CA -0.124 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 -0.075 122.732 122.820 -0.021 0.000 2.267 1175 A HA 0.859 5.176 4.320 -0.005 0.000 0.315 1175 A C -0.135 177.438 177.584 -0.020 0.000 1.297 1175 A CA -0.138 51.892 52.037 -0.011 0.000 0.865 1175 A CB 0.663 19.666 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 0.927 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 0.083 175.424 175.328 0.021 0.000 1.151 1177 H CA -0.620 55.442 56.048 0.024 0.000 1.374 1177 H CB 0.304 30.082 29.762 0.027 0.000 1.473 1177 H HN 0.169 nan 8.280 nan 0.000 0.574 1178 L N 3.043 124.325 121.223 0.098 0.000 2.600 1178 L HA 0.029 4.366 4.340 -0.005 0.000 0.278 1178 L C -0.181 176.731 176.870 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 1.562 121.959 120.400 -0.004 0.000 2.363 1179 D HA 0.296 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 1.405 42.249 40.800 0.073 0.000 1.201 1179 D HN 0.211 nan 8.370 nan 0.000 0.524 1180 D N 0.953 121.356 120.400 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 2.117 42.915 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 2.358 1181 L HA 0.449 4.787 4.340 -0.005 0.000 0.268 1181 L C -0.289 176.581 176.870 -0.000 0.000 1.032 1181 L CA -0.805 54.035 54.840 -0.000 0.000 0.805 1181 L CB 1.071 43.126 42.059 -0.006 0.000 1.253 1181 L HN 0.238 nan 8.230 nan 0.000 0.452 1182 D N 1.225 121.626 120.400 0.001 0.000 2.460 1182 D HA 0.277 4.914 4.640 -0.005 0.000 0.232 1182 D C 0.025 176.325 176.300 -0.001 0.000 1.079 1182 D CA -0.116 53.886 54.000 0.003 0.000 0.864 1182 D CB 0.921 41.724 40.800 0.006 0.000 1.048 1182 D HN 0.364 nan 8.370 nan 0.000 0.523 1183 L N 3.561 124.781 121.223 -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 -0.237 41.811 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 4.653 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 54.304 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 1.335 64.443 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 2.109 178.423 176.300 0.023 0.000 1.091 1186 R CA 0.900 57.011 56.100 0.019 0.000 0.986 1186 R CB -0.840 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 0.930 122.158 121.223 0.010 0.000 2.558 1187 L HA 0.226 4.563 4.340 -0.005 0.000 0.225 1187 L C 1.097 177.974 176.870 0.013 0.000 1.128 1187 L CA -0.296 54.546 54.840 0.003 0.000 0.868 1187 L CB -0.283 41.765 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 0.115 177.720 177.584 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 0.969 120.788 119.800 0.032 0.000 2.214 1189 Q HA 0.394 4.732 4.340 -0.005 0.000 0.251 1189 Q C 0.497 176.511 176.000 0.023 0.000 0.936 1189 Q CA -0.853 54.971 55.803 0.036 0.000 0.894 1189 Q CB 1.708 30.470 28.738 0.041 0.000 1.252 1189 Q HN 0.472 nan 8.270 nan 0.000 0.448 1190 V N 0.386 120.306 119.914 0.010 0.000 2.341 1190 V HA -0.081 4.036 4.120 -0.005 0.000 0.240 1190 V C 0.018 176.122 176.094 0.018 0.000 1.035 1190 V CA 1.455 63.758 62.300 0.004 0.000 1.033 1190 V CB 0.272 32.083 31.823 -0.020 0.000 0.678 1190 V HN 0.754 nan 8.190 nan 0.000 0.464 1191 D N 0.511 120.925 120.400 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 0.994 41.822 40.800 0.046 0.000 1.002 1191 D HN 0.307 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 0.191 63.317 63.100 0.042 0.000 0.788 1192 P CB 0.637 32.358 31.700 0.036 0.000 0.926 1193 G N 0.312 109.142 108.800 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 -0.668 174.265 174.900 0.054 0.000 1.390 1193 G CA -0.889 44.241 45.100 0.050 0.000 0.850 1193 G HN 0.573 nan 8.290 nan 0.000 0.557 1194 E N 0.667 120.898 120.200 0.051 0.000 2.820 1194 E HA -0.052 4.296 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 1.060 57.493 56.400 0.055 0.000 0.955 1194 E CB -0.258 29.471 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 0.816 123.695 122.820 0.097 0.000 2.271 1196 A HA 0.489 4.806 4.320 -0.005 0.000 0.288 1196 A C -0.022 177.601 177.584 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 19.471 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 0.744 31.067 30.300 0.037 0.000 1.123 1197 R HN 0.686 nan 8.270 nan 0.000 0.455 1198 Y N 0.104 120.401 120.300 -0.004 0.000 2.420 1198 Y HA 0.309 4.858 4.550 -0.003 0.000 0.334 1198 Y C 0.613 176.515 175.900 0.004 0.000 1.094 1198 Y CA -0.278 57.806 58.100 -0.027 0.000 1.126 1198 Y CB 1.425 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 0.777 120.154 119.300 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 -0.735 58.337 59.018 0.090 0.000 2.433 1199 C CB 0.601 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 3.986 118.586 114.554 0.077 0.000 2.793 1200 T HA 0.143 4.490 4.350 -0.005 0.000 0.289 1200 T C 0.075 174.814 174.700 0.066 0.000 0.956 1200 T CA -0.036 62.104 62.100 0.067 0.000 1.177 1200 T CB -0.220 68.672 68.868 0.040 0.000 0.897 1200 T HN 0.243 nan 8.240 nan 0.000 0.533 1201 L N 3.942 125.212 121.223 0.079 0.000 2.380 1201 L HA 0.376 4.713 4.340 -0.005 0.000 0.273 1201 L C 0.515 177.408 176.870 0.038 0.000 1.138 1201 L CA 0.136 55.017 54.840 0.069 0.000 0.832 1201 L CB 0.303 42.410 42.059 0.081 0.000 1.124 1201 L HN 0.674 nan 8.230 nan 0.000 0.454 1202 Q N 0.433 120.249 119.800 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 30.736 28.738 0.008 0.000 1.425 1202 Q HN 0.843 nan 8.270 nan 0.000 0.437 1203 G N 0.898 109.696 108.800 -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 -0.291 120.202 120.500 -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 31.015 30.300 -0.022 0.000 1.187 1204 R HN 0.595 nan 8.270 nan 0.000 0.464 1205 N N 1.747 120.449 118.700 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 53.220 53.050 0.016 0.000 0.922 1205 N CB 0.437 38.936 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 -0.625 176.007 176.600 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 -2.300 173.894 176.094 0.168 0.000 1.168 1207 V CA -1.739 60.648 62.300 0.145 0.000 1.015 1207 V CB 2.105 34.050 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 0.208 0.000 0.864 1209 D N 0.914 121.402 120.400 0.147 0.000 2.354 1209 D HA 0.202 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 41.301 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 0.490 69.452 68.868 0.156 0.000 1.392 1210 T HN 0.110 nan 8.240 nan 0.000 0.531 1211 L N 1.297 122.517 121.223 -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 -0.121 0.000 1.100 1211 L CA 1.951 56.728 54.840 -0.106 0.000 0.765 1211 L CB -1.201 40.779 42.059 -0.132 0.000 0.904 1211 L HN 0.521 nan 8.230 nan 0.000 0.437 1212 D N -0.397 119.977 120.400 -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 1.099 55.083 54.000 -0.027 0.000 0.882 1212 D CB -0.076 40.727 40.800 0.004 0.000 0.918 1212 D HN 0.463 nan 8.370 nan 0.000 0.503 1213 A N -0.319 122.489 122.820 -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 0.526 52.557 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 0.679 121.219 120.570 -0.050 0.000 2.208 1215 I HA -0.262 3.906 4.170 -0.005 0.000 0.245 1215 I C 1.828 178.041 176.117 0.161 0.000 1.097 1215 I CA 1.166 62.517 61.300 0.085 0.000 1.363 1215 I CB -0.050 37.971 38.000 0.034 0.000 1.051 1215 I HN -0.007 nan 8.210 nan 0.000 0.413 1216 V N 0.799 120.791 119.914 0.130 0.000 2.515 1216 V HA -0.237 3.880 4.120 -0.005 0.000 0.250 1216 V C 2.556 178.760 176.094 0.183 0.000 1.058 1216 V CA 1.811 64.226 62.300 0.192 0.000 1.064 1216 V CB -1.021 30.846 31.823 0.074 0.000 0.675 1216 V HN 0.491 nan 8.190 nan 0.000 0.461 1217 A N -0.246 122.647 122.820 0.123 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 53.456 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 0.143 120.639 120.400 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 1.018 55.116 54.000 0.163 0.000 0.917 1218 D CB 0.022 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 -0.151 122.783 122.820 0.189 0.000 2.574 1219 A HA 0.189 4.506 4.320 -0.005 0.000 0.283 1219 A C 1.819 179.538 177.584 0.225 0.000 1.270 1219 A CA -0.351 51.795 52.037 0.181 0.000 0.945 1219 A CB 0.014 19.151 19.000 0.228 0.000 1.127 1219 A HN -0.039 nan 8.150 nan 0.000 0.522 1220 R N 0.995 121.620 120.500 0.208 0.000 2.094 1220 R HA -0.147 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 2.653 58.886 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 1.147 178.468 177.300 0.034 0.000 1.153 1221 P CA 0.967 64.102 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 -0.836 120.357 121.223 -0.050 0.000 1.956 1222 L HA -0.182 4.156 4.340 -0.005 0.000 0.216 1222 L C 2.078 178.875 176.870 -0.123 0.000 1.073 1222 L CA 2.080 56.807 54.840 -0.188 0.000 0.762 1222 L CB -1.734 40.008 42.059 -0.529 0.000 0.889 1222 L HN -0.121 nan 8.230 nan 0.000 0.433 1223 F N -0.258 119.820 119.950 0.213 0.000 2.502 1223 F HA -0.020 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 0.981 59.093 58.000 0.186 0.000 1.445 1223 F CB -0.438 38.619 39.000 0.095 0.000 1.081 1223 F HN 0.281 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 1.531 178.206 176.600 0.125 0.000 0.957 1224 E CA 0.460 56.956 56.400 0.161 0.000 0.858 1224 E CB 0.142 29.920 29.700 0.129 0.000 0.816 1224 E HN 0.394 nan 8.360 nan 0.000 0.475 1225 E N -0.956 119.314 120.200 0.117 0.000 2.572 1225 E HA 0.094 4.441 4.350 -0.005 0.000 0.220 1225 E C 0.589 177.254 176.600 0.108 0.000 0.945 1225 E CA 0.350 56.807 56.400 0.094 0.000 1.070 1225 E CB 1.464 31.203 29.700 0.064 0.000 1.090 1225 E HN 0.310 nan 8.360 nan 0.000 0.506 1226 G N 2.225 111.109 108.800 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 0.131 0.000 0.977 1226 G CA 0.490 45.680 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 4.588 4.350 -0.005 0.000 0.263 1227 E C 0.516 177.008 176.600 -0.181 0.000 1.192 1227 E CA 0.544 56.921 56.400 -0.038 0.000 1.016 1227 E CB 0.354 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 -0.369 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 2.237 121.713 119.600 -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 2.590 122.354 119.800 -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 1.964 30.669 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 53.815 54.840 -0.131 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 2.452 124.991 122.820 -0.468 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 1.135 20.021 19.000 -0.190 0.000 1.239 1232 A HN 0.593 nan 8.150 nan 0.000 0.435 1233 Y N 0.316 120.629 120.300 0.021 0.000 2.670 1233 Y HA 0.433 4.980 4.550 -0.005 0.000 0.334 1233 Y C 0.010 175.925 175.900 0.024 0.000 1.185 1233 Y CA -0.932 57.183 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 0.256 119.080 118.700 0.207 0.000 2.476 1234 N HA 0.831 5.568 4.740 -0.005 0.000 0.276 1234 N C -1.316 174.259 175.510 0.108 0.000 1.204 1234 N CA -0.483 52.637 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 -0.886 176.724 177.584 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 0.634 176.946 176.300 0.020 0.000 0.996 1236 R CA -0.263 55.853 56.100 0.027 0.000 0.961 1236 R CB 1.550 31.870 30.300 0.034 0.000 1.182 1236 R HN 1.002 nan 8.270 nan 0.000 0.479 1237 N N -1.159 117.547 118.700 0.010 0.000 2.635 1237 N HA -0.131 4.606 4.740 -0.005 0.000 0.191 1237 N C 0.828 176.406 175.510 0.114 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 -0.856 113.717 114.554 0.031 0.000 3.044 1238 T HA 0.097 4.445 4.350 -0.005 0.000 0.250 1238 T C -0.078 174.648 174.700 0.043 0.000 1.081 1238 T CA 0.018 62.141 62.100 0.037 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 0.523 4.860 4.340 -0.005 0.000 0.259 1239 Q C -0.575 175.423 176.000 -0.002 0.000 0.941 1239 Q CA -0.305 55.508 55.803 0.016 0.000 0.912 1239 Q CB 1.769 30.529 28.738 0.037 0.000 1.244 1239 Q HN 0.206 nan 8.270 nan 0.000 0.441 1240 R N 1.024 121.527 120.500 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 -0.383 55.729 56.100 0.021 0.000 0.950 1240 R CB 1.645 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 1.652 124.544 122.820 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 -2.017 17.082 19.000 0.165 0.000 1.020 1241 A HN 0.656 nan 8.150 nan 0.000 0.563 1242 I N -0.853 119.754 120.570 0.061 0.000 2.741 1242 I HA 0.264 4.432 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 1.761 63.088 61.300 0.045 0.000 1.426 1242 I CB 0.234 38.256 38.000 0.036 0.000 1.367 1242 I HN 1.177 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 3.649 3.960 -0.005 0.000 0.218 1243 G HA3 -0.309 3.649 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 45.455 45.100 0.057 0.000 0.632 1243 G HN 0.504 nan 8.290 nan 0.000 0.508 1244 T N 0.694 115.283 114.554 0.058 0.000 2.684 1244 T HA -0.132 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 2.070 64.217 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 0.419 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 2.240 178.562 176.300 0.037 0.000 1.103 1245 R CA 0.765 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 -0.558 120.710 121.223 0.074 0.000 1.970 1246 L HA -0.255 4.082 4.340 -0.005 0.000 0.212 1246 L C 2.139 179.100 176.870 0.153 0.000 1.071 1246 L CA 2.013 56.938 54.840 0.141 0.000 0.751 1246 L CB -0.619 41.523 42.059 0.138 0.000 0.889 1246 L HN 0.308 nan 8.230 nan 0.000 0.432 1247 S N -0.996 114.772 115.700 0.112 0.000 2.372 1247 S HA -0.281 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 1.880 60.139 58.200 0.098 0.000 1.050 1247 S CB -0.310 62.946 63.200 0.093 0.000 0.901 1247 S HN 0.582 nan 8.310 nan 0.000 0.447 1248 S N 0.530 116.255 115.700 0.042 0.000 2.365 1248 S HA -0.125 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 1.660 59.857 58.200 -0.004 0.000 1.033 1248 S CB -0.377 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 0.587 120.199 119.600 0.020 0.000 2.117 1249 M HA -0.063 4.414 4.480 -0.005 0.000 0.262 1249 M C 2.214 178.636 176.300 0.203 0.000 1.065 1249 M CA 1.116 56.410 55.300 -0.010 0.000 1.114 1249 M CB -1.313 31.193 32.600 -0.157 0.000 1.361 1249 M HN 0.241 nan 8.290 nan 0.000 0.408 1250 V N 0.402 120.518 119.914 0.337 0.000 2.237 1250 V HA -0.236 3.881 4.120 -0.005 0.000 0.245 1250 V C 2.500 178.764 176.094 0.283 0.000 1.046 1250 V CA 2.284 64.849 62.300 0.441 0.000 1.007 1250 V CB -1.100 30.912 31.823 0.314 0.000 0.638 1250 V HN 0.462 nan 8.190 nan 0.000 0.445 1251 T N -0.194 114.442 114.554 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 2.238 64.374 62.100 0.059 0.000 1.165 1251 T CB -0.346 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 0.600 121.096 120.500 -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 1.589 57.655 56.100 -0.056 0.000 0.976 1252 R CB -0.106 30.142 30.300 -0.086 0.000 0.866 1252 R HN 0.332 nan 8.270 nan 0.000 0.449 1253 K N -1.134 119.183 120.400 -0.140 0.000 2.348 1253 K HA 0.064 4.381 4.320 -0.005 0.000 0.194 1253 K C 0.417 176.659 176.600 -0.596 0.000 1.052 1253 K CA 0.618 56.667 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 -0.225 119.757 119.950 0.053 0.000 2.871 1254 F HA 0.407 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 -0.076 57.941 58.000 0.027 0.000 1.149 1254 F CB 1.250 40.249 39.000 -0.003 0.000 1.087 1254 F HN 0.099 nan 8.300 nan 0.000 0.557 1255 G N 1.006 109.901 108.800 0.159 0.000 2.787 1255 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.685 1255 G HA3 -0.258 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 -0.207 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 -0.225 119.350 119.600 -0.042 0.000 2.267 1256 M HA 0.036 4.513 4.480 -0.005 0.000 0.263 1256 M C 1.578 177.540 176.300 -0.563 0.000 1.063 1256 M CA 1.932 57.017 55.300 -0.359 0.000 1.090 1256 M CB -0.162 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 -1.365 118.633 119.950 0.080 0.000 2.683 1257 F HA 0.347 4.871 4.527 -0.004 0.000 0.306 1257 F C 1.888 177.709 175.800 0.036 0.000 1.102 1257 F CA -0.404 57.629 58.000 0.055 0.000 1.244 1257 F CB -0.328 38.704 39.000 0.053 0.000 1.029 1257 F HN 0.011 nan 8.300 nan 0.000 0.545 1258 G N 0.357 109.256 108.800 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 0.292 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 4.675 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 -1.075 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 0.240 nan 8.230 nan 0.000 0.424 1260 Q N 2.108 121.823 119.800 -0.142 0.000 2.337 1260 Q HA 0.251 4.588 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 -2.006 53.800 55.803 0.004 0.000 0.888 1260 Q CB -0.373 28.388 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 0.036 31.791 31.700 0.090 0.000 0.744 1262 G N 2.286 111.130 108.800 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 -0.153 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 -0.831 175.297 176.117 0.018 0.000 1.021 1264 I CA -0.027 61.267 61.300 -0.009 0.000 1.091 1264 I CB 1.497 39.498 38.000 0.002 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 4.972 4.350 -0.005 0.000 0.282 1265 T C -0.302 174.423 174.700 0.041 0.000 0.993 1265 T CA -0.269 61.847 62.100 0.027 0.000 0.967 1265 T CB 1.418 70.291 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 0.369 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 -0.844 60.522 61.300 0.109 0.000 1.130 1266 I CB 0.992 39.100 38.000 0.180 0.000 1.262 1266 I HN 0.269 nan 8.210 nan 0.000 0.454 1267 R N 6.852 127.383 120.500 0.051 0.000 2.438 1267 R HA 0.582 4.920 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 0.970 31.273 30.300 0.004 0.000 0.993 1267 R HN 0.527 nan 8.270 nan 0.000 0.459 1268 L N 3.360 124.628 121.223 0.075 0.000 2.406 1268 L HA 0.442 4.780 4.340 -0.005 0.000 0.270 1268 L C 0.346 177.252 176.870 0.061 0.000 0.982 1268 L CA -0.503 54.392 54.840 0.093 0.000 0.843 1268 L CB 2.021 44.138 42.059 0.097 0.000 1.225 1268 L HN 0.319 nan 8.230 nan 0.000 0.412 1269 R N 1.574 122.105 120.500 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 0.763 56.885 56.100 0.037 0.000 1.047 1269 R CB 1.487 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 0.869 109.686 108.800 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 -1.083 173.829 174.900 0.019 0.000 1.274 1270 G CA -0.636 44.479 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 70.357 68.868 0.002 0.000 1.023 1271 T HN 1.682 nan 8.240 nan 0.000 0.447 1272 A N 2.388 125.212 122.820 0.008 0.000 2.331 1272 A HA 0.781 5.098 4.320 -0.005 0.000 0.283 1272 A C 0.866 178.443 177.584 -0.012 0.000 1.142 1272 A CA -0.308 51.733 52.037 0.007 0.000 0.812 1272 A CB 0.325 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 -0.102 174.755 174.900 -0.072 0.000 1.350 1273 G CA -0.578 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 -0.493 119.234 119.800 -0.122 0.000 2.386 1274 Q HA 0.127 4.464 4.340 -0.005 0.000 0.282 1274 Q C 0.452 176.475 176.000 0.040 0.000 1.050 1274 Q CA 0.906 56.666 55.803 -0.073 0.000 0.918 1274 Q CB 0.771 29.473 28.738 -0.060 0.000 1.266 1274 Q HN 0.625 nan 8.270 nan 0.000 0.423 1275 S N -0.348 115.424 115.700 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 0.220 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 3.184 111.990 108.800 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 45.484 45.100 0.004 0.000 0.642 1277 G HN 1.543 nan 8.290 nan 0.000 0.536 1278 A N -0.169 122.582 122.820 -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 -0.235 0.000 1.022 1278 A CA 1.419 53.242 52.037 -0.357 0.000 0.812 1278 A CB -0.700 18.058 19.000 -0.405 0.000 0.918 1278 A HN 1.594 nan 8.150 nan 0.000 0.516 1279 F N -1.379 118.568 119.950 -0.005 0.000 3.043 1279 F HA -0.216 4.308 4.527 -0.005 0.000 0.290 1279 F C 1.119 176.907 175.800 -0.019 0.000 0.844 1279 F CA 0.391 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 0.485 123.372 122.820 0.111 0.000 2.366 1280 A HA 0.651 4.968 4.320 -0.005 0.000 0.272 1280 A C 0.470 178.073 177.584 0.032 0.000 1.135 1280 A CA 0.087 52.166 52.037 0.070 0.000 0.804 1280 A CB 0.586 19.615 19.000 0.049 0.000 1.064 1280 A HN 0.890 nan 8.150 nan 0.000 0.499 1281 V N 1.059 120.971 119.914 -0.003 0.000 3.513 1281 V HA 0.456 4.573 4.120 -0.005 0.000 0.297 1281 V C 0.438 176.482 176.094 -0.085 0.000 1.058 1281 V CA -0.879 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 -0.427 119.274 119.800 -0.164 0.000 2.373 1282 Q HA 0.463 4.801 4.340 -0.005 0.000 0.255 1282 Q C 0.996 176.980 176.000 -0.027 0.000 0.980 1282 Q CA 0.898 56.672 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 3.027 111.834 108.800 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 -0.186 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 1.533 122.126 120.570 0.038 0.000 2.396 1284 I HA 0.505 4.672 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 60.937 61.300 0.053 0.000 1.310 1284 I CB 1.669 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 7.253 127.692 120.400 0.064 0.000 2.482 1285 K HA 0.598 4.916 4.320 -0.005 0.000 0.251 1285 K C -1.672 174.971 176.600 0.072 0.000 0.936 1285 K CA -0.655 55.675 56.287 0.072 0.000 0.791 1285 K CB 1.857 34.397 32.500 0.067 0.000 1.213 1285 K HN 0.511 nan 8.250 nan 0.000 0.428 1286 L N 4.134 125.403 121.223 0.077 0.000 2.316 1286 L HA 0.399 4.736 4.340 -0.005 0.000 0.280 1286 L C -0.459 176.456 176.870 0.075 0.000 1.006 1286 L CA -0.691 54.195 54.840 0.076 0.000 0.836 1286 L CB 1.651 43.753 42.059 0.072 0.000 1.221 1286 L HN 0.506 nan 8.230 nan 0.000 0.418 1287 E N 3.525 123.764 120.200 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 2.578 32.300 29.700 0.036 0.000 1.086 1287 E HN 0.216 nan 8.360 nan 0.000 0.397 1288 V N 4.943 124.889 119.914 0.052 0.000 2.333 1288 V HA 0.188 4.306 4.120 -0.005 0.000 0.274 1288 V C -0.197 175.917 176.094 0.034 0.000 1.028 1288 V CA -0.441 61.886 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 5.191 124.807 119.600 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 56.249 55.300 0.017 0.000 1.096 1289 M CB 0.861 33.468 32.600 0.012 0.000 1.568 1289 M HN 0.923 nan 8.290 nan 0.000 0.456 1290 G N 2.943 111.750 108.800 0.012 0.000 1.695 1290 G HA2 -0.003 3.955 3.960 -0.005 0.000 0.089 1290 G HA3 -0.003 3.955 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 41.615 40.800 -0.015 0.000 1.312 1291 D HN 1.891 nan 8.370 nan 0.000 0.437 1292 A N -0.434 122.377 122.820 -0.014 0.000 2.609 1292 A HA 0.661 4.978 4.320 -0.005 0.000 0.291 1292 A C -0.689 176.868 177.584 -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 -0.118 118.540 118.700 -0.069 0.000 2.605 1293 N HA 0.229 4.966 4.740 -0.005 0.000 0.277 1293 N C -0.903 174.491 175.510 -0.193 0.000 1.355 1293 N CA -0.151 52.826 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 -0.430 119.751 120.400 -0.365 0.000 2.332 1294 D HA 0.252 4.889 4.640 -0.005 0.000 0.252 1294 D C -0.242 175.691 176.300 -0.612 0.000 1.050 1294 D CA -0.070 53.561 54.000 -0.614 0.000 0.970 1294 D CB 0.464 40.553 40.800 -1.185 0.000 1.141 1294 D HN 0.356 nan 8.370 nan 0.000 0.485 1295 Y N -2.343 117.940 120.300 -0.027 0.000 3.929 1295 Y HA -0.220 4.327 4.550 -0.005 0.000 0.225 1295 Y C 0.138 176.015 175.900 -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 0.021 119.982 119.914 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 63.446 62.300 0.051 0.000 1.161 1296 V CB 0.762 32.616 31.823 0.052 0.000 0.916 1296 V HN 1.153 nan 8.190 nan 0.000 0.490 1297 G N 3.257 112.059 108.800 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 0.355 175.208 174.900 -0.080 0.000 0.997 1297 G CA 0.594 45.677 45.100 -0.029 0.000 0.708 1297 G HN 1.083 nan 8.290 nan 0.000 0.520 1298 K N 0.214 120.549 120.400 -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 0.998 57.172 56.287 -0.188 0.000 1.093 1298 K CB -0.263 32.104 32.500 -0.221 0.000 0.873 1298 K HN 1.607 nan 8.250 nan 0.000 0.483 1299 G N 3.317 111.963 108.800 -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 -0.040 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 56.317 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 0.521 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 -0.036 0.000 1.084 1301 S CA 0.166 58.392 58.200 0.043 0.000 1.151 1301 S CB -0.622 62.617 63.200 0.065 0.000 1.151 1301 S HN 1.423 nan 8.310 nan 0.000 0.461 1302 G N 0.171 108.993 108.800 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 -0.385 174.373 174.700 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 2.446 123.073 120.570 0.096 0.000 2.545 1305 I HA 0.641 4.809 4.170 -0.005 0.000 0.292 1305 I C -0.840 175.364 176.117 0.145 0.000 1.040 1305 I CA -1.100 60.258 61.300 0.097 0.000 1.068 1305 I CB 2.183 40.222 38.000 0.065 0.000 1.251 1305 I HN 0.265 nan 8.210 nan 0.000 0.424 1306 V N 6.294 126.295 119.914 0.146 0.000 2.709 1306 V HA 0.562 4.680 4.120 -0.005 0.000 0.308 1306 V C -0.673 175.488 176.094 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 34.493 31.823 0.153 0.000 1.003 1306 V HN 0.408 nan 8.190 nan 0.000 0.425 1307 V N 5.389 125.369 119.914 0.110 0.000 2.612 1307 V HA 0.687 4.805 4.120 -0.005 0.000 0.301 1307 V C -0.436 175.692 176.094 0.057 0.000 1.059 1307 V CA -0.702 61.641 62.300 0.071 0.000 0.886 1307 V CB 1.953 33.816 31.823 0.067 0.000 1.007 1307 V HN 1.042 nan 8.190 nan 0.000 0.426 1308 R N 3.840 124.358 120.500 0.030 0.000 2.740 1308 R HA 0.773 5.111 4.340 -0.005 0.000 0.273 1308 R C -3.262 173.041 176.300 0.006 0.000 0.998 1308 R CA -2.005 54.102 56.100 0.013 0.000 0.900 1308 R CB 1.990 32.283 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 -0.495 176.803 177.300 -0.002 0.000 1.254 1309 P CA -0.137 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 -0.118 114.436 114.554 -0.001 0.000 2.913 1310 T HA 0.032 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 0.152 62.251 62.100 -0.002 0.000 1.104 1310 T CB 0.177 69.045 68.868 0.000 0.000 0.964 1310 T HN 0.408 nan 8.240 nan 0.000 0.532 1311 T N 1.172 115.722 114.554 -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 0.675 nan 8.240 nan 0.000 0.509 1312 S N -0.423 115.275 115.700 -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 0.115 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 3.189 118.889 115.700 -0.000 0.000 2.545 1313 S HA 0.395 4.862 4.470 -0.005 0.000 0.275 1313 S C -1.397 173.204 174.600 0.001 0.000 1.299 1313 S CA -1.138 57.063 58.200 0.000 0.000 1.048 1313 S CB 0.995 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 0.001 177.302 177.300 0.001 0.000 1.281 1314 P CA -0.064 63.037 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 0.588 121.809 121.223 -0.002 0.000 2.439 1315 L HA 0.151 4.488 4.340 -0.005 0.000 0.269 1315 L C 0.982 177.844 176.870 -0.013 0.000 1.179 1315 L CA -0.048 54.787 54.840 -0.008 0.000 0.828 1315 L CB 0.317 42.369 42.059 -0.013 0.000 1.106 1315 L HN -0.082 nan 8.230 nan 0.000 0.467 1316 E N 1.334 121.520 120.200 -0.024 0.000 1.996 1316 E HA 0.019 4.366 4.350 -0.005 0.000 0.280 1316 E C 0.750 177.308 176.600 -0.069 0.000 1.092 1316 E CA -0.168 56.209 56.400 -0.039 0.000 0.862 1316 E CB 1.065 30.736 29.700 -0.048 0.000 1.066 1316 E HN 0.614 nan 8.360 nan 0.000 0.396 1317 T N 3.647 118.170 114.554 -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 2.543 64.609 62.100 -0.057 0.000 1.159 1317 T CB -0.279 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 0.103 4.840 4.740 -0.005 0.000 0.192 1318 N C 1.025 176.369 175.510 -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 -0.913 0.000 0.976 1318 N HN 0.309 nan 8.380 nan 0.000 0.465 1319 K N -0.410 119.878 120.400 -0.187 0.000 2.399 1319 K HA 0.217 4.534 4.320 -0.005 0.000 0.204 1319 K C -0.507 176.038 176.600 -0.091 0.000 1.023 1319 K CA -0.243 55.967 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 0.328 118.971 118.700 -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 2.041 40.489 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 0.632 121.163 120.570 -0.066 0.000 5.157 1322 I HA 0.347 4.514 4.170 -0.005 0.000 0.350 1322 I C -0.630 175.468 176.117 -0.032 0.000 1.233 1322 I CA -0.071 61.204 61.300 -0.042 0.000 1.476 1322 I CB 0.537 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 -2.387 118.162 120.570 -0.036 0.000 3.042 1323 I HA 0.739 4.907 4.170 -0.005 0.000 0.310 1323 I C 0.603 176.696 176.117 -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 39.464 38.000 0.012 0.000 1.228 1323 I HN -0.096 nan 8.210 nan 0.000 0.443 1324 G N 2.254 111.023 108.800 -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 -0.210 44.844 45.100 -0.077 0.000 1.055 1324 G HN 0.661 nan 8.290 nan 0.000 0.528 1325 N N -1.279 117.378 118.700 -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 52.866 53.050 0.009 0.000 0.788 1325 N CB 1.497 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 0.436 62.607 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 1.689 177.835 176.094 0.087 0.000 1.059 1327 V CA 0.788 63.187 62.300 0.165 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 3.389 124.649 121.223 0.061 0.000 4.001 1328 L HA -0.219 4.118 4.340 -0.005 0.000 0.413 1328 L C 0.177 177.063 176.870 0.025 0.000 1.185 1328 L CA 0.082 54.920 54.840 -0.003 0.000 0.963 1328 L CB -1.344 40.665 42.059 -0.083 0.000 1.976 1328 L HN 0.772 nan 8.230 nan 0.000 0.939 1329 Y N 1.774 122.024 120.300 -0.082 0.000 2.754 1329 Y HA 0.373 4.920 4.550 -0.005 0.000 0.349 1329 Y C 1.316 177.158 175.900 -0.097 0.000 1.179 1329 Y CA 0.584 58.627 58.100 -0.094 0.000 1.538 1329 Y CB 0.141 38.550 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 -0.004 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 -0.234 122.519 122.820 -0.112 0.000 2.536 1331 A HA 0.579 4.897 4.320 -0.005 0.000 0.234 1331 A C 1.594 179.130 177.584 -0.080 0.000 1.076 1331 A CA 1.969 53.964 52.037 -0.069 0.000 0.769 1331 A CB 0.220 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 -2.624 111.897 114.554 -0.055 0.000 2.969 1332 T HA 0.598 4.945 4.350 -0.005 0.000 0.258 1332 T C 0.171 174.922 174.700 0.086 0.000 0.962 1332 T CA 0.794 62.847 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 2.210 nan 8.240 nan 0.000 0.511 1333 A N -0.495 122.386 122.820 0.101 0.000 2.590 1333 A HA 0.792 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 0.731 19.921 19.000 0.316 0.000 1.279 1333 A HN 1.662 nan 8.150 nan 0.000 0.415 1334 G N 0.138 109.011 108.800 0.122 0.000 2.423 1334 G HA2 0.381 4.338 3.960 -0.005 0.000 0.684 1334 G HA3 0.381 4.338 3.960 -0.005 0.000 0.684 1334 G C -1.107 173.816 174.900 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 -0.706 175.781 176.600 -0.189 0.000 0.955 1335 K CA -0.822 55.389 56.287 -0.126 0.000 0.855 1335 K CB 2.067 34.554 32.500 -0.022 0.000 1.101 1335 K HN 0.835 nan 8.250 nan 0.000 0.434 1336 L N 2.165 123.149 121.223 -0.399 0.000 2.470 1336 L HA 0.560 4.897 4.340 -0.005 0.000 0.268 1336 L C -2.022 174.586 176.870 -0.437 0.000 0.964 1336 L CA -0.240 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 4.262 124.310 119.950 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 57.720 58.000 0.230 0.000 0.920 1337 F CB 2.339 41.450 39.000 0.186 0.000 1.160 1337 F HN 0.652 nan 8.300 nan 0.000 0.440 1338 A N 2.078 125.153 122.820 0.425 0.000 2.411 1338 A HA 0.703 5.021 4.320 -0.005 0.000 0.285 1338 A C -0.189 177.578 177.584 0.305 0.000 1.129 1338 A CA -0.658 51.543 52.037 0.275 0.000 0.736 1338 A CB 0.723 19.818 19.000 0.158 0.000 1.186 1338 A HN 0.949 nan 8.150 nan 0.000 0.445 1339 A N 2.087 125.020 122.820 0.189 0.000 3.110 1339 A HA 0.518 4.836 4.320 -0.005 0.000 0.265 1339 A C 0.958 178.598 177.584 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 0.046 0.000 0.941 1339 A HN 2.271 nan 8.150 nan 0.000 0.610 1340 G N -0.664 108.182 108.800 0.077 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 -1.191 173.679 174.900 -0.051 0.000 1.306 1340 G CA -0.925 44.168 45.100 -0.011 0.000 0.836 1340 G HN 0.411 nan 8.290 nan 0.000 0.517 1341 Q N -0.478 119.268 119.800 -0.091 0.000 2.306 1341 Q HA 0.637 4.974 4.340 -0.005 0.000 0.241 1341 Q C 0.261 176.183 176.000 -0.130 0.000 0.948 1341 Q CA -0.148 55.578 55.803 -0.129 0.000 0.886 1341 Q CB 1.792 30.455 28.738 -0.125 0.000 1.227 1341 Q HN 0.878 nan 8.270 nan 0.000 0.457 1342 A N 0.877 123.585 122.820 -0.187 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 19.980 19.000 -0.235 0.000 1.294 1342 A HN 0.775 nan 8.150 nan 0.000 0.493 1343 G N -0.945 107.839 108.800 -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 -0.520 174.413 174.900 0.055 0.000 1.334 1343 G CA -0.283 44.816 45.100 -0.003 0.000 1.001 1343 G HN 0.655 nan 8.290 nan 0.000 0.600 1344 E N 0.049 120.294 120.200 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 56.529 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 1.283 121.871 120.500 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 0.141 0.000 0.882 1345 R CA 0.143 56.311 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 0.777 120.749 119.950 0.036 0.000 2.456 1346 F HA 0.340 4.864 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 0.156 58.182 58.000 0.044 0.000 1.216 1346 F CB 0.782 39.820 39.000 0.064 0.000 1.125 1346 F HN 0.421 nan 8.300 nan 0.000 0.549 1347 A N 3.547 126.019 122.820 -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 0.638 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 1.548 nan 8.150 nan 0.000 0.904 1348 V N 0.897 120.735 119.914 -0.126 0.000 2.752 1348 V HA 0.208 4.325 4.120 -0.005 0.000 0.306 1348 V C 1.620 177.747 176.094 0.055 0.000 1.099 1348 V CA 1.680 63.951 62.300 -0.049 0.000 1.240 1348 V CB -0.315 31.415 31.823 -0.155 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 0.089 0.000 3.847 1349 R HA -0.208 4.129 4.340 -0.005 0.000 0.304 1349 R C 0.509 176.806 176.300 -0.004 0.000 1.203 1349 R CA 0.931 57.070 56.100 0.064 0.000 0.835 1349 R CB -1.644 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 0.757 119.434 118.700 -0.038 0.000 2.414 1350 N HA -0.039 4.699 4.740 -0.005 0.000 0.268 1350 N C -0.062 175.431 175.510 -0.028 0.000 1.286 1350 N CA 0.782 53.794 53.050 -0.063 0.000 0.896 1350 N CB 0.706 39.126 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 -0.120 63.074 63.200 -0.010 0.000 0.784 1351 S HN 0.844 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 2.281 1353 A HA 0.940 5.257 4.320 -0.005 0.000 0.329 1353 A C 0.128 177.718 177.584 0.009 0.000 1.122 1353 A CA -0.179 51.867 52.037 0.015 0.000 0.850 1353 A CB 1.328 20.317 19.000 -0.018 0.000 1.207 1353 A HN 0.510 nan 8.150 nan 0.000 0.495 1354 T N 0.675 115.226 114.554 -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 1.821 121.714 119.914 -0.036 0.000 3.012 1355 V HA 0.727 4.844 4.120 -0.005 0.000 0.307 1355 V C -0.857 175.277 176.094 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 -0.611 175.539 176.094 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 33.986 31.823 0.142 0.000 0.999 1356 V HN 0.716 nan 8.190 nan 0.000 0.426 1357 V N 2.724 122.636 119.914 -0.003 0.000 3.178 1357 V HA 0.409 4.526 4.120 -0.005 0.000 0.302 1357 V C -0.098 175.965 176.094 -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 2.014 122.201 120.200 -0.021 0.000 2.437 1358 E HA 0.513 4.860 4.350 -0.005 0.000 0.195 1358 E C 0.409 176.963 176.600 -0.077 0.000 1.029 1358 E CA 0.485 56.885 56.400 0.001 0.000 0.948 1358 E CB 1.043 30.769 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 -1.581 173.182 174.900 -0.229 0.000 1.298 1359 G CA -0.342 44.666 45.100 -0.153 0.000 0.868 1359 G HN 0.340 nan 8.290 nan 0.000 0.540 1360 C N -0.761 118.424 119.300 -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 0.556 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 2.495 nan 8.230 nan 0.000 0.508 1361 G N 2.112 110.892 108.800 -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 0.465 175.393 174.900 0.048 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 0.542 175.216 174.600 0.123 0.000 1.194 1362 S CA 0.302 58.560 58.200 0.097 0.000 0.990 1362 S CB 0.473 63.729 63.200 0.093 0.000 1.029 1362 S HN 0.789 nan 8.310 nan 0.000 0.560 1363 N N -0.188 118.581 118.700 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 -0.984 107.909 108.800 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 45.487 45.100 0.191 0.000 0.839 1364 G HN 0.623 nan 8.290 nan 0.000 0.559 1365 C N -0.205 119.008 119.300 -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 1.007 59.851 59.018 -0.290 0.000 2.041 1365 C CB -2.612 24.857 27.740 -0.453 0.000 1.287 1365 C HN 0.956 nan 8.230 nan 0.000 0.791 1366 E N -0.345 119.721 120.200 -0.222 0.000 2.392 1366 E HA 0.263 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 -0.323 55.914 56.400 -0.272 0.000 0.903 1366 E CB 0.223 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 0.494 120.738 120.300 -0.093 0.000 3.617 1367 Y HA -0.312 4.235 4.550 -0.004 0.000 0.215 1367 Y C 0.458 176.331 175.900 -0.046 0.000 1.178 1367 Y CA 0.622 58.694 58.100 -0.047 0.000 1.517 1367 Y CB -1.950 36.499 38.460 -0.018 0.000 1.457 1367 Y HN 0.587 nan 8.280 nan 0.000 0.615 1368 M N 0.040 119.661 119.600 0.034 0.000 2.233 1368 M HA 0.217 4.694 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 0.811 56.114 55.300 0.005 0.000 1.150 1368 M CB 0.887 33.445 32.600 -0.070 0.000 1.530 1368 M HN 0.212 nan 8.290 nan 0.000 0.459 1369 T N 2.888 117.467 114.554 0.042 0.000 3.275 1369 T HA 0.476 4.823 4.350 -0.005 0.000 0.298 1369 T C -0.352 174.375 174.700 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 0.677 nan 8.290 nan 0.000 0.601 1371 G N -1.625 107.206 108.800 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 0.447 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 2.257 125.195 122.820 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 2.640 122.765 119.914 0.352 0.000 2.785 1374 V HA 0.480 4.597 4.120 -0.005 0.000 0.300 1374 V C 0.139 176.419 176.094 0.311 0.000 1.062 1374 V CA -0.181 62.349 62.300 0.383 0.000 1.029 1374 V CB 1.312 33.303 31.823 0.279 0.000 1.024 1374 V HN 0.689 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 1.690 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 5.900 127.193 121.223 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 0.132 55.067 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 -0.765 108.112 108.800 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 0.069 nan 8.290 nan 0.000 0.504 1378 R N -1.033 119.418 120.500 -0.081 0.000 2.697 1378 R HA 0.420 4.758 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 56.393 56.100 -0.179 0.000 1.099 1378 R CB 0.389 30.583 30.300 -0.177 0.000 0.965 1378 R HN 0.476 nan 8.270 nan 0.000 0.428 1379 V N 2.912 122.599 119.914 -0.379 0.000 2.823 1379 V HA 0.646 4.763 4.120 -0.005 0.000 0.312 1379 V C 0.466 176.280 176.094 -0.466 0.000 1.072 1379 V CA -0.163 61.915 62.300 -0.370 0.000 0.937 1379 V CB 2.150 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 1.468 110.127 108.800 -0.235 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 -0.651 174.281 174.900 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 -0.477 120.068 120.400 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 1.476 55.641 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 0.773 119.558 118.700 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 52.807 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 0.287 nan 8.380 nan 0.000 0.544 1383 F N 0.780 120.723 119.950 -0.012 0.000 2.471 1383 F HA 0.379 4.903 4.527 -0.005 0.000 0.353 1383 F C 1.391 177.161 175.800 -0.050 0.000 1.113 1383 F CA 0.948 58.933 58.000 -0.025 0.000 1.262 1383 F CB 0.778 39.756 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 -0.800 0.000 3.601 1384 A HA -0.186 4.131 4.320 -0.005 0.000 0.266 1384 A C 0.902 178.300 177.584 -0.309 0.000 1.077 1384 A CA 0.674 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 -0.215 122.461 122.820 -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 1.836 53.740 52.037 -0.221 0.000 0.804 1385 A CB -1.101 17.774 19.000 -0.208 0.000 0.957 1385 A HN 2.699 nan 8.150 nan 0.000 0.520 1386 G N 1.762 110.435 108.800 -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 0.355 175.184 174.900 -0.119 0.000 0.979 1386 G CA 0.299 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 2.132 121.648 119.600 -0.139 0.000 2.455 1387 M HA 0.374 4.851 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 0.582 55.821 55.300 -0.102 0.000 1.362 1387 M CB 0.176 32.679 32.600 -0.162 0.000 1.564 1387 M HN -0.003 nan 8.290 nan 0.000 0.458 1388 T N 3.081 117.626 114.554 -0.014 0.000 3.169 1388 T HA 0.312 4.659 4.350 -0.005 0.000 0.250 1388 T C 0.215 174.914 174.700 -0.003 0.000 1.111 1388 T CA 0.635 62.734 62.100 -0.002 0.000 1.010 1388 T CB -0.157 68.722 68.868 0.018 0.000 0.984 1388 T HN 0.906 nan 8.240 nan 0.000 0.537 1389 G N -0.615 108.180 108.800 -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 0.693 4.650 3.960 -0.005 0.000 0.256 1390 G HA3 0.693 4.650 3.960 -0.005 0.000 0.256 1390 G C -1.257 173.628 174.900 -0.026 0.000 1.236 1390 G CA 0.171 45.272 45.100 0.000 0.000 0.914 1390 G HN 1.416 nan 8.290 nan 0.000 0.482 1391 M N -0.239 119.346 119.600 -0.025 0.000 2.569 1391 M HA 0.738 5.215 4.480 -0.005 0.000 0.279 1391 M C -1.701 174.551 176.300 -0.080 0.000 1.253 1391 M CA -0.724 54.512 55.300 -0.106 0.000 0.867 1391 M CB 2.235 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 2.348 125.078 122.820 -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 0.036 0.000 0.711 1392 A CB 0.952 20.090 19.000 0.230 0.000 1.240 1392 A HN 0.766 nan 8.150 nan 0.000 0.420 1393 Y N 0.303 120.769 120.300 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 57.353 58.100 0.343 0.000 1.166 1393 Y CB 2.147 40.789 38.460 0.303 0.000 1.249 1393 Y HN 0.366 nan 8.280 nan 0.000 0.479 1394 V N 2.110 122.389 119.914 0.609 0.000 2.674 1394 V HA 0.049 4.167 4.120 -0.005 0.000 0.279 1394 V C -1.474 174.752 176.094 0.219 0.000 1.051 1394 V CA -1.007 61.497 62.300 0.339 0.000 0.912 1394 V CB 0.755 32.655 31.823 0.128 0.000 1.044 1394 V HN 0.649 nan 8.190 nan 0.000 0.464 1395 Y N 4.264 124.413 120.300 -0.253 0.000 2.677 1395 Y HA 0.284 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 0.602 58.239 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 6.860 126.946 120.400 -0.523 0.000 2.412 1396 D HA 0.093 4.731 4.640 -0.005 0.000 0.276 1396 D C 0.575 176.667 176.300 -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 1.010 121.988 121.223 -0.407 0.000 2.450 1397 L HA -0.124 4.213 4.340 -0.005 0.000 0.225 1397 L C 0.300 177.099 176.870 -0.119 0.000 1.145 1397 L CA 1.246 55.924 54.840 -0.271 0.000 0.801 1397 L CB 0.010 42.000 42.059 -0.115 0.000 0.924 1397 L HN 0.355 nan 8.230 nan 0.000 0.447 1398 D N -1.921 118.447 120.400 -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 41.213 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 55.129 54.000 0.228 0.000 0.740 1399 D CB -1.609 39.296 40.800 0.174 0.000 1.000 1399 D HN 0.317 nan 8.370 nan 0.000 0.416 1400 S N -1.605 114.189 115.700 0.156 0.000 2.604 1400 S HA 0.037 4.504 4.470 -0.005 0.000 0.235 1400 S C 1.625 176.286 174.600 0.100 0.000 1.043 1400 S CA -0.398 57.878 58.200 0.127 0.000 0.997 1400 S CB 0.551 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 -1.339 175.294 176.870 -0.397 0.000 1.076 1401 L CA 1.825 56.520 54.840 -0.241 0.000 0.758 1401 L CB -2.029 39.715 42.059 -0.525 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 1.582 64.486 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 -4.367 116.740 121.223 -0.194 0.000 2.509 1403 L HA 0.025 4.363 4.340 -0.005 0.000 0.222 1403 L C 1.471 178.080 176.870 -0.435 0.000 1.123 1403 L CA 0.678 55.334 54.840 -0.306 0.000 0.856 1403 L CB -0.407 41.398 42.059 -0.422 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 0.927 176.777 175.900 -0.084 0.000 1.113 1404 Y CA -0.567 57.471 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 0.568 121.117 120.570 -0.035 0.000 2.677 1405 I HA 0.171 4.339 4.170 -0.005 0.000 0.305 1405 I C 0.010 176.120 176.117 -0.012 0.000 0.988 1405 I CA -0.563 60.724 61.300 -0.021 0.000 1.260 1405 I CB 0.967 38.828 38.000 -0.232 0.000 1.410 1405 I HN -0.035 nan 8.210 nan 0.000 0.523 1406 N N 4.346 123.054 118.700 0.013 0.000 3.044 1406 N HA 0.109 4.846 4.740 -0.005 0.000 0.254 1406 N C 0.374 175.885 175.510 0.001 0.000 1.253 1406 N CA -0.268 52.778 53.050 -0.006 0.000 0.944 1406 N CB 0.201 38.671 38.487 -0.028 0.000 1.217 1406 N HN 0.550 nan 8.380 nan 0.000 0.498 1407 D N 1.161 121.581 120.400 0.033 0.000 2.558 1407 D HA -0.304 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 1.371 55.410 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 -0.315 119.892 120.200 0.012 0.000 2.301 1408 E HA -0.291 4.056 4.350 -0.005 0.000 0.224 1408 E C 1.013 177.615 176.600 0.003 0.000 1.092 1408 E CA 1.917 58.319 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 0.341 nan 8.360 nan 0.000 0.465 1409 S N -0.856 114.841 115.700 -0.004 0.000 2.902 1409 S HA 0.415 4.882 4.470 -0.005 0.000 0.250 1409 S C -0.436 174.164 174.600 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 1.459 121.389 119.914 0.026 0.000 3.282 1410 V HA 0.672 4.789 4.120 -0.005 0.000 0.295 1410 V C -1.661 174.488 176.094 0.092 0.000 1.451 1410 V CA -0.854 61.470 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 0.310 120.948 120.570 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 1.223 121.168 119.950 -0.008 0.000 2.591 1412 F HA 0.807 5.332 4.527 -0.005 0.000 0.309 1412 F C -0.874 175.038 175.800 0.186 0.000 1.098 1412 F CA -0.498 57.522 58.000 0.035 0.000 0.937 1412 F CB 1.265 40.175 39.000 -0.151 0.000 1.250 1412 F HN 0.858 nan 8.300 nan 0.000 0.447 1413 Q N 1.868 121.910 119.800 0.404 0.000 2.534 1413 Q HA 0.590 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 0.403 4.740 4.340 -0.005 0.000 0.270 1414 R C 0.171 176.494 176.300 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 30.502 30.300 -0.178 0.000 1.063 1414 R HN 0.597 nan 8.270 nan 0.000 0.519 1415 I N 1.881 122.485 120.570 0.057 0.000 2.648 1415 I HA -0.088 4.080 4.170 -0.005 0.000 0.284 1415 I C 1.249 177.392 176.117 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 3.607 123.841 120.200 0.056 0.000 3.249 1416 E HA 0.135 4.482 4.350 -0.005 0.000 0.184 1416 E C -0.166 176.478 176.600 0.073 0.000 1.163 1416 E CA -0.173 56.242 56.400 0.026 0.000 1.353 1416 E CB 0.254 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 1.351 177.519 176.094 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 -0.786 118.202 119.070 -0.138 0.000 2.395 1419 H HA -0.001 4.553 4.556 -0.005 0.000 0.299 1419 H C 1.923 177.131 175.328 -0.201 0.000 1.070 1419 H CA 1.254 57.161 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 2.754 178.654 175.900 -0.001 0.000 1.131 1420 Y CA 1.479 59.609 58.100 0.050 0.000 1.121 1420 Y CB -0.898 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 -0.199 120.129 120.200 0.212 0.000 2.301 1421 E HA -0.246 4.101 4.350 -0.005 0.000 0.202 1421 E C 1.975 178.646 176.600 0.119 0.000 1.017 1421 E CA 1.523 58.013 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 -0.427 115.285 115.700 0.020 0.000 2.421 1422 S HA -0.017 4.450 4.470 -0.005 0.000 0.224 1422 S C 1.752 176.303 174.600 -0.083 0.000 1.035 1422 S CA 0.214 58.408 58.200 -0.011 0.000 0.953 1422 S CB 0.095 63.252 63.200 -0.072 0.000 0.810 1422 S HN 0.298 nan 8.310 nan 0.000 0.497 1423 Q N 0.823 120.510 119.800 -0.189 0.000 2.061 1423 Q HA -0.149 4.188 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 1.369 57.063 55.803 -0.183 0.000 0.846 1423 Q CB -0.356 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 0.881 121.897 121.223 -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 2.508 58.445 56.287 -0.583 0.000 0.941 1425 K CB -0.275 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 -0.142 118.770 119.070 -0.265 0.000 2.353 1426 H HA -0.057 4.496 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 1.673 57.618 56.048 -0.171 0.000 1.327 1426 H CB -0.148 29.544 29.762 -0.117 0.000 1.383 1426 H HN 0.122 nan 8.280 nan 0.000 0.508 1427 L N 0.005 121.269 121.223 0.069 0.000 1.955 1427 L HA -0.205 4.132 4.340 -0.005 0.000 0.213 1427 L C 2.204 179.140 176.870 0.109 0.000 1.072 1427 L CA 1.450 56.372 54.840 0.137 0.000 0.755 1427 L CB -0.518 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 -0.332 120.254 120.570 0.026 0.000 2.367 1428 I HA -0.354 3.813 4.170 -0.005 0.000 0.256 1428 I C 2.254 178.356 176.117 -0.024 0.000 1.132 1428 I CA 1.503 62.816 61.300 0.021 0.000 1.397 1428 I CB -0.540 37.425 38.000 -0.057 0.000 1.074 1428 I HN 0.434 nan 8.210 nan 0.000 0.435 1429 E N 0.416 120.542 120.200 -0.122 0.000 2.158 1429 E HA -0.180 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 56.864 56.400 -0.164 0.000 0.823 1429 E CB 0.002 29.548 29.700 -0.257 0.000 0.766 1429 E HN 0.477 nan 8.360 nan 0.000 0.468 1430 E N 0.234 120.363 120.200 -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 1.113 57.364 56.400 -0.248 0.000 0.800 1430 E CB -0.043 29.573 29.700 -0.140 0.000 0.752 1430 E HN 0.229 nan 8.360 nan 0.000 0.447 1431 H N 0.451 119.264 119.070 -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 2.462 58.326 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 -0.410 3.707 4.120 -0.005 0.000 0.246 1432 V C 2.390 178.354 176.094 -0.216 0.000 1.045 1432 V CA 2.737 64.940 62.300 -0.162 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 64.308 62.100 -0.185 0.000 1.096 1433 T CB -0.632 68.121 68.868 -0.191 0.000 0.834 1433 T HN 0.543 nan 8.240 nan 0.000 0.439 1434 E N 0.317 120.347 120.200 -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 -0.184 0.000 1.018 1434 E CA 1.630 57.887 56.400 -0.239 0.000 0.834 1434 E CB -1.173 28.322 29.700 -0.343 0.000 0.770 1434 E HN 0.475 nan 8.360 nan 0.000 0.459 1435 T N 0.232 114.632 114.554 -0.257 0.000 2.977 1435 T HA -0.145 4.203 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 0.852 62.808 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 -0.307 175.647 176.000 -0.076 0.000 1.286 1436 Q CA 0.259 56.000 55.803 -0.102 0.000 0.872 1436 Q CB -1.460 27.235 28.738 -0.073 0.000 1.193 1436 Q HN 0.390 nan 8.270 nan 0.000 0.466 1437 S N -0.645 115.001 115.700 -0.089 0.000 2.416 1437 S HA 0.304 4.771 4.470 -0.005 0.000 0.287 1437 S C 1.110 175.739 174.600 0.047 0.000 1.139 1437 S CA -0.602 57.593 58.200 -0.009 0.000 1.058 1437 S CB 0.806 64.019 63.200 0.022 0.000 0.967 1437 S HN 0.378 nan 8.310 nan 0.000 0.495 1438 R N 2.757 123.296 120.500 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 2.043 58.187 56.100 0.073 0.000 0.895 1438 R CB -0.897 29.445 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 2.189 177.988 175.800 -0.003 0.000 1.079 1439 F CA 2.079 60.077 58.000 -0.002 0.000 1.261 1439 F CB -0.750 38.248 39.000 -0.003 0.000 0.968 1439 F HN 0.200 nan 8.300 nan 0.000 0.496 1440 A N 0.164 122.963 122.820 -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 2.101 54.111 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 0.688 nan 8.150 nan 0.000 0.458 1442 E N -0.939 119.220 120.200 -0.069 0.000 2.158 1442 E HA -0.024 4.323 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 0.669 57.038 56.400 -0.052 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 0.979 121.463 120.570 -0.143 0.000 2.394 1443 I HA -0.261 3.906 4.170 -0.005 0.000 0.251 1443 I C 2.143 178.354 176.117 0.156 0.000 1.136 1443 I CA 0.872 62.147 61.300 -0.041 0.000 1.425 1443 I CB -0.043 37.858 38.000 -0.165 0.000 1.079 1443 I HN 0.138 nan 8.210 nan 0.000 0.425 1444 L N 0.198 121.460 121.223 0.065 0.000 2.056 1444 L HA -0.180 4.157 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 1.022 55.887 54.840 0.041 0.000 0.749 1444 L CB -0.748 41.241 42.059 -0.115 0.000 0.901 1444 L HN 0.262 nan 8.230 nan 0.000 0.433 1445 N N -0.152 118.568 118.700 0.033 0.000 2.417 1445 N HA -0.195 4.543 4.740 -0.005 0.000 0.187 1445 N C 0.650 176.206 175.510 0.077 0.000 1.027 1445 N CA 1.252 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 -1.358 119.116 120.400 0.124 0.000 2.740 1446 D HA 0.036 4.673 4.640 -0.005 0.000 0.301 1446 D C 0.936 177.352 176.300 0.192 0.000 1.408 1446 D CA -0.514 53.561 54.000 0.125 0.000 0.808 1446 D CB -0.308 40.542 40.800 0.084 0.000 1.128 1446 D HN 0.142 nan 8.370 nan 0.000 0.465 1447 W N 1.400 122.706 121.300 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 2.266 59.623 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 0.643 123.519 122.820 0.093 0.000 1.893 1448 A HA -0.370 3.947 4.320 -0.005 0.000 0.222 1448 A C 2.011 179.527 177.584 -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 -1.246 119.222 120.500 -0.053 0.000 2.153 1449 R HA -0.051 4.287 4.340 -0.005 0.000 0.218 1449 R C 1.908 178.157 176.300 -0.085 0.000 1.072 1449 R CA 1.031 57.095 56.100 -0.060 0.000 0.990 1449 R CB -0.076 30.214 30.300 -0.017 0.000 0.889 1449 R HN 0.601 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 0.983 57.386 56.400 0.004 0.000 0.814 1450 E CB -0.038 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 -0.205 0.000 1.065 1451 V CA 2.188 64.098 62.300 -0.651 0.000 1.049 1451 V CB -1.252 29.978 31.823 -0.987 0.000 0.651 1451 V HN 0.261 nan 8.190 nan 0.000 0.450 1452 T N -0.783 113.635 114.554 -0.226 0.000 2.837 1452 T HA -0.275 4.073 4.350 -0.005 0.000 0.266 1452 T C 1.654 176.227 174.700 -0.212 0.000 1.077 1452 T CA 1.901 63.890 62.100 -0.184 0.000 1.133 1452 T CB -0.279 68.492 68.868 -0.162 0.000 0.830 1452 T HN 0.618 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 0.414 176.764 176.600 -0.417 0.000 1.038 1453 K CA -0.259 55.803 56.287 -0.376 0.000 1.052 1453 K CB 0.337 32.515 32.500 -0.536 0.000 0.861 1453 K HN 0.220 nan 8.250 nan 0.000 0.535 1454 F N 0.381 120.184 119.950 -0.245 0.000 2.313 1454 F HA 0.118 4.642 4.527 -0.005 0.000 0.288 1454 F C 0.171 175.902 175.800 -0.114 0.000 1.274 1454 F CA 0.174 58.146 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 0.180 121.685 121.300 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 56.692 57.345 0.241 0.000 1.235 1455 W CB 1.297 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 2.513 122.574 119.800 0.435 0.000 2.267 1456 Q HA 0.601 4.938 4.340 -0.005 0.000 0.255 1456 Q C -1.375 174.716 176.000 0.151 0.000 0.923 1456 Q CA -0.160 55.731 55.803 0.146 0.000 0.925 1456 Q CB 1.358 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 1.703 33.639 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 -2.550 173.541 176.094 -0.006 0.000 1.042 1458 V CA -2.153 60.123 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 0.188 nan 4.420 nan 0.000 0.266 1459 P C 0.508 177.810 177.300 0.003 0.000 1.195 1459 P CA 0.005 63.099 63.100 -0.010 0.000 0.768 1459 P CB 0.888 32.578 31.700 -0.017 0.000 0.838 1460 K N 2.233 122.638 120.400 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 32.216 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 -0.189 4.159 4.350 -0.005 0.000 0.204 1461 E C 1.287 177.893 176.600 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 4.622 4.480 -0.005 0.000 0.256 1462 M C 1.901 178.215 176.300 0.023 0.000 1.091 1462 M CA -0.118 55.190 55.300 0.013 0.000 1.049 1462 M CB -0.169 32.434 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 1.521 178.420 176.870 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 -0.632 118.090 118.700 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 0.163 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 0.025 120.544 120.500 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 0.529 30.840 30.300 0.018 0.000 1.087 1465 R HN 0.104 nan 8.270 nan 0.000 0.515 1466 L N 2.221 123.477 121.223 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 -0.063 54.825 54.840 0.081 0.000 0.848 1466 L CB 1.055 43.178 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 4.048 4.350 -0.005 0.000 0.252 1467 E C 0.085 176.689 176.600 0.007 0.000 1.018 1467 E CA 2.036 58.449 56.400 0.022 0.000 1.151 1467 E CB 0.023 29.727 29.700 0.007 0.000 1.081 1467 E HN 0.406 nan 8.360 nan 0.000 0.509 1468 V N 3.201 123.115 119.914 -0.000 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 -1.201 61.066 62.300 -0.055 0.000 0.896 1468 V CB 0.732 32.341 31.823 -0.356 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 0.273 63.482 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 0.066 120.156 119.914 0.294 0.000 3.649 1470 V HA 0.020 4.137 4.120 -0.005 0.000 0.275 1470 V C 0.561 176.762 176.094 0.178 0.000 1.281 1470 V CA 1.029 63.509 62.300 0.301 0.000 1.143 1470 V CB -1.175 30.717 31.823 0.115 0.000 0.892 1470 V HN 0.533 nan 8.190 nan 0.000 0.441 1471 H N -1.617 117.542 119.070 0.149 0.000 2.731 1471 H HA 0.712 5.265 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 -0.545 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