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_E 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 0.000 174.932 174.990 -0.096 0.000 1.270 1 C CA 0.000 58.984 59.018 -0.057 0.000 1.963 1 C CB 0.000 27.732 27.740 -0.014 0.000 2.134 2 G N -0.178 108.497 108.800 -0.209 0.000 2.387 2 G HA2 0.753 4.712 3.960 -0.003 0.000 0.294 2 G HA3 0.753 4.712 3.960 -0.003 0.000 0.294 2 G C -1.655 173.081 174.900 -0.273 0.000 1.509 2 G CA 0.112 45.109 45.100 -0.172 0.000 0.806 2 G HN 1.676 nan 8.290 nan 0.000 0.546 3 V N -1.317 118.475 119.914 -0.203 0.000 3.001 3 V HA 1.070 5.189 4.120 -0.003 0.000 0.314 3 V C 0.528 176.393 176.094 -0.382 0.000 1.099 3 V CA -0.279 61.891 62.300 -0.218 0.000 0.989 3 V CB 1.462 33.254 31.823 -0.051 0.000 1.040 3 V HN 2.003 nan 8.190 nan 0.000 0.434 4 G N 0.713 109.071 108.800 -0.736 0.000 2.623 4 G HA2 0.860 4.819 3.960 -0.003 0.000 0.290 4 G HA3 0.860 4.819 3.960 -0.003 0.000 0.290 4 G C -1.709 172.861 174.900 -0.549 0.000 1.437 4 G CA -0.453 44.033 45.100 -1.023 0.000 0.798 4 G HN 1.671 nan 8.290 nan 0.000 0.488 5 F N -1.271 118.644 119.950 -0.059 0.000 2.703 5 F HA 0.832 5.357 4.527 -0.003 0.000 0.308 5 F C -1.545 174.397 175.800 0.237 0.000 1.126 5 F CA -1.583 56.511 58.000 0.156 0.000 0.959 5 F CB 1.158 40.200 39.000 0.070 0.000 1.297 5 F HN 0.510 nan 8.300 nan 0.000 0.441 6 I N 2.004 122.876 120.570 0.503 0.000 2.769 6 I HA 0.862 5.031 4.170 -0.003 0.000 0.298 6 I C -0.939 175.393 176.117 0.357 0.000 1.128 6 I CA -1.241 60.257 61.300 0.330 0.000 1.031 6 I CB 2.216 40.337 38.000 0.201 0.000 1.235 6 I HN 1.076 nan 8.210 nan 0.000 0.423 7 A N 3.475 126.460 122.820 0.275 0.000 2.547 7 A HA 0.843 5.161 4.320 -0.003 0.000 0.297 7 A C -1.038 176.630 177.584 0.139 0.000 1.056 7 A CA -0.597 51.572 52.037 0.220 0.000 0.688 7 A CB 1.649 20.770 19.000 0.202 0.000 1.282 7 A HN 0.811 nan 8.150 nan 0.000 0.400 8 A N 1.974 124.862 122.820 0.114 0.000 2.347 8 A HA 0.549 4.868 4.320 -0.003 0.000 0.287 8 A C 0.953 178.570 177.584 0.056 0.000 1.199 8 A CA -0.437 51.644 52.037 0.074 0.000 0.851 8 A CB -0.530 18.508 19.000 0.063 0.000 1.118 8 A HN 0.835 nan 8.150 nan 0.000 0.525 9 I N 1.600 122.198 120.570 0.047 0.000 2.286 9 I HA -0.233 3.936 4.170 -0.003 0.000 0.248 9 I C 1.889 178.016 176.117 0.017 0.000 1.115 9 I CA 1.821 63.142 61.300 0.033 0.000 1.392 9 I CB -0.442 37.578 38.000 0.034 0.000 1.065 9 I HN 0.828 nan 8.210 nan 0.000 0.418 10 D N 0.930 121.341 120.400 0.019 0.000 2.350 10 D HA -0.047 4.591 4.640 -0.003 0.000 0.216 10 D C 1.669 177.969 176.300 0.001 0.000 0.968 10 D CA 1.091 55.097 54.000 0.009 0.000 0.894 10 D CB -0.189 40.618 40.800 0.012 0.000 0.909 10 D HN 0.467 nan 8.370 nan 0.000 0.520 11 G N -0.394 108.410 108.800 0.007 0.000 2.241 11 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.244 11 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.244 11 G C 0.109 175.024 174.900 0.024 0.000 0.998 11 G CA 0.116 45.218 45.100 0.003 0.000 0.621 11 G HN 0.490 nan 8.290 nan 0.000 0.519 12 K N 1.770 122.185 120.400 0.025 0.000 2.227 12 K HA 0.472 4.790 4.320 -0.003 0.000 0.280 12 K C -2.490 174.132 176.600 0.036 0.000 1.041 12 K CA -1.861 54.443 56.287 0.028 0.000 0.905 12 K CB 1.400 33.912 32.500 0.020 0.000 1.068 12 K HN 0.050 nan 8.250 nan 0.000 0.470 13 P HA -0.014 nan 4.420 nan 0.000 0.266 13 P C -0.835 176.481 177.300 0.027 0.000 1.193 13 P CA 0.288 63.410 63.100 0.036 0.000 0.770 13 P CB 0.606 32.323 31.700 0.028 0.000 0.836 14 R N 0.945 121.458 120.500 0.023 0.000 2.692 14 R HA 0.362 4.700 4.340 -0.003 0.000 0.269 14 R C 0.608 176.917 176.300 0.015 0.000 1.030 14 R CA -0.913 55.199 56.100 0.020 0.000 0.882 14 R CB 1.083 31.397 30.300 0.023 0.000 1.250 14 R HN 0.201 nan 8.270 nan 0.000 0.465 15 R N 0.958 121.469 120.500 0.018 0.000 2.080 15 R HA -0.051 4.287 4.340 -0.003 0.000 0.222 15 R C 1.671 177.976 176.300 0.008 0.000 1.107 15 R CA 2.285 58.396 56.100 0.019 0.000 0.980 15 R CB -0.261 30.054 30.300 0.026 0.000 0.879 15 R HN 0.734 nan 8.270 nan 0.000 0.439 16 S N -0.083 115.622 115.700 0.008 0.000 2.407 16 S HA -0.183 4.285 4.470 -0.003 0.000 0.235 16 S C 1.998 176.595 174.600 -0.005 0.000 1.036 16 S CA 1.568 59.769 58.200 0.001 0.000 1.013 16 S CB -0.956 62.247 63.200 0.006 0.000 0.820 16 S HN 0.146 nan 8.310 nan 0.000 0.476 17 V N 1.377 121.294 119.914 0.004 0.000 2.332 17 V HA -0.160 3.958 4.120 -0.003 0.000 0.248 17 V C 2.616 178.696 176.094 -0.023 0.000 1.055 17 V CA 1.843 64.147 62.300 0.006 0.000 1.038 17 V CB -0.826 31.006 31.823 0.015 0.000 0.651 17 V HN 0.495 nan 8.190 nan 0.000 0.450 18 V N -0.211 119.683 119.914 -0.033 0.000 2.302 18 V HA -0.181 3.937 4.120 -0.003 0.000 0.243 18 V C 2.404 178.458 176.094 -0.067 0.000 1.036 18 V CA 1.844 64.111 62.300 -0.055 0.000 1.020 18 V CB -0.644 31.155 31.823 -0.040 0.000 0.657 18 V HN 0.610 nan 8.190 nan 0.000 0.453 19 E N 0.269 120.441 120.200 -0.047 0.000 2.130 19 E HA -0.266 4.082 4.350 -0.003 0.000 0.196 19 E C 2.197 178.753 176.600 -0.072 0.000 0.998 19 E CA 1.242 57.610 56.400 -0.054 0.000 0.806 19 E CB -0.216 29.465 29.700 -0.032 0.000 0.738 19 E HN 0.566 nan 8.360 nan 0.000 0.459 20 K N 0.389 120.749 120.400 -0.067 0.000 2.001 20 K HA -0.096 4.222 4.320 -0.003 0.000 0.208 20 K C 2.413 178.902 176.600 -0.186 0.000 1.048 20 K CA 1.132 57.365 56.287 -0.090 0.000 0.932 20 K CB -0.672 31.797 32.500 -0.052 0.000 0.715 20 K HN 0.199 nan 8.250 nan 0.000 0.437 21 G N 2.698 111.374 108.800 -0.206 0.000 2.599 21 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.219 21 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.219 21 G C 1.644 176.318 174.900 -0.377 0.000 1.193 21 G CA 1.321 46.194 45.100 -0.378 0.000 0.778 21 G HN 0.176 nan 8.290 nan 0.000 0.589 22 I N 0.494 120.948 120.570 -0.194 0.000 2.052 22 I HA -0.252 3.916 4.170 -0.003 0.000 0.235 22 I C 2.583 178.609 176.117 -0.152 0.000 1.046 22 I CA 1.963 63.180 61.300 -0.138 0.000 1.308 22 I CB -0.731 37.218 38.000 -0.085 0.000 1.031 22 I HN 0.382 nan 8.210 nan 0.000 0.395 23 E N 0.987 121.113 120.200 -0.124 0.000 2.196 23 E HA -0.377 3.971 4.350 -0.003 0.000 0.222 23 E C 2.017 178.558 176.600 -0.098 0.000 1.072 23 E CA 2.287 58.634 56.400 -0.088 0.000 0.902 23 E CB -0.181 29.474 29.700 -0.074 0.000 0.780 23 E HN 0.516 nan 8.360 nan 0.000 0.467 24 A N 0.935 123.636 122.820 -0.198 0.000 1.849 24 A HA -0.255 4.064 4.320 -0.003 0.000 0.216 24 A C 2.255 179.811 177.584 -0.046 0.000 1.225 24 A CA 2.088 54.024 52.037 -0.167 0.000 0.653 24 A CB -1.287 17.366 19.000 -0.579 0.000 0.844 24 A HN 0.425 nan 8.150 nan 0.000 0.453 25 L N -0.699 120.472 121.223 -0.087 0.000 2.386 25 L HA -0.268 4.071 4.340 -0.003 0.000 0.220 25 L C 1.997 178.926 176.870 0.098 0.000 1.115 25 L CA 1.621 56.504 54.840 0.071 0.000 0.780 25 L CB -0.524 41.575 42.059 0.068 0.000 0.902 25 L HN 0.460 nan 8.230 nan 0.000 0.442 26 K N -0.347 120.093 120.400 0.066 0.000 2.444 26 K HA 0.189 4.507 4.320 -0.003 0.000 0.193 26 K C 0.731 177.463 176.600 0.220 0.000 1.024 26 K CA 0.457 56.825 56.287 0.135 0.000 1.077 26 K CB 0.466 33.015 32.500 0.080 0.000 0.833 26 K HN 0.188 nan 8.250 nan 0.000 0.517 27 A N 1.410 124.287 122.820 0.095 0.000 3.204 27 A HA 0.306 4.624 4.320 -0.003 0.000 0.327 27 A C 0.413 177.889 177.584 -0.180 0.000 0.998 27 A CA -0.510 51.483 52.037 -0.073 0.000 0.891 27 A CB -0.039 18.895 19.000 -0.109 0.000 1.061 27 A HN 0.045 nan 8.150 nan 0.000 0.478 28 V N -3.598 116.264 119.914 -0.087 0.000 3.509 28 V HA 0.121 4.239 4.120 -0.003 0.000 0.286 28 V C 1.269 177.449 176.094 0.144 0.000 1.618 28 V CA 0.276 62.615 62.300 0.066 0.000 1.088 28 V CB -1.490 30.398 31.823 0.109 0.000 0.909 28 V HN 0.870 nan 8.190 nan 0.000 0.429 29 W N 2.469 123.849 121.300 0.134 0.000 2.467 29 W HA -0.037 4.622 4.660 -0.002 0.000 0.275 29 W C 2.067 178.673 176.519 0.144 0.000 1.239 29 W CA 1.231 58.627 57.345 0.085 0.000 1.266 29 W CB -1.706 27.764 29.460 0.016 0.000 1.112 29 W HN 0.766 nan 8.180 nan 0.000 0.576 30 H N 0.829 119.408 119.070 -0.819 0.000 2.539 30 H HA 0.044 4.598 4.556 -0.003 0.000 0.292 30 H C 1.273 176.447 175.328 -0.256 0.000 1.069 30 H CA 1.197 56.879 56.048 -0.611 0.000 1.244 30 H CB -0.567 28.648 29.762 -0.912 0.000 1.365 30 H HN 0.091 nan 8.280 nan 0.000 0.575 31 R N 1.035 121.387 120.500 -0.248 0.000 2.515 31 R HA 0.291 4.629 4.340 -0.003 0.000 0.294 31 R C 0.044 176.337 176.300 -0.011 0.000 1.021 31 R CA 0.128 56.076 56.100 -0.254 0.000 1.081 31 R CB 1.394 31.539 30.300 -0.259 0.000 1.263 31 R HN 0.400 nan 8.270 nan 0.000 0.557 32 G N -0.583 108.221 108.800 0.005 0.000 2.766 32 G HA2 0.582 4.540 3.960 -0.003 0.000 0.288 32 G HA3 0.582 4.540 3.960 -0.003 0.000 0.288 32 G C -1.451 173.366 174.900 -0.140 0.000 1.408 32 G CA -0.756 44.290 45.100 -0.090 0.000 0.852 32 G HN 0.129 nan 8.290 nan 0.000 0.487 33 A N 0.031 122.630 122.820 -0.367 0.000 2.347 33 A HA 0.533 4.851 4.320 -0.003 0.000 0.287 33 A C 0.562 178.055 177.584 -0.151 0.000 1.199 33 A CA -0.164 51.733 52.037 -0.233 0.000 0.851 33 A CB -0.001 18.805 19.000 -0.324 0.000 1.118 33 A HN 1.980 nan 8.150 nan 0.000 0.525 34 V N 1.739 121.612 119.914 -0.069 0.000 2.546 34 V HA 0.435 4.554 4.120 -0.003 0.000 0.284 34 V C -0.221 175.830 176.094 -0.071 0.000 1.050 34 V CA -0.521 61.746 62.300 -0.054 0.000 0.981 34 V CB 1.024 32.839 31.823 -0.014 0.000 0.990 34 V HN 0.805 nan 8.190 nan 0.000 0.474 35 D N 3.470 123.821 120.400 -0.081 0.000 2.312 35 D HA 0.673 5.312 4.640 -0.003 0.000 0.248 35 D C 1.027 177.291 176.300 -0.060 0.000 1.086 35 D CA 0.398 54.352 54.000 -0.077 0.000 0.948 35 D CB 1.905 42.656 40.800 -0.082 0.000 1.162 35 D HN 0.854 nan 8.370 nan 0.000 0.446 36 A N 1.587 124.374 122.820 -0.055 0.000 2.119 36 A HA -0.131 4.187 4.320 -0.003 0.000 0.217 36 A C 1.634 179.192 177.584 -0.043 0.000 1.153 36 A CA 1.264 53.275 52.037 -0.044 0.000 0.692 36 A CB -0.338 18.639 19.000 -0.039 0.000 0.799 36 A HN 0.714 nan 8.150 nan 0.000 0.458 37 D N -1.107 119.264 120.400 -0.048 0.000 2.312 37 D HA 0.098 4.737 4.640 -0.003 0.000 0.211 37 D C 1.385 177.661 176.300 -0.040 0.000 0.964 37 D CA 1.423 55.399 54.000 -0.040 0.000 0.877 37 D CB -0.621 40.155 40.800 -0.040 0.000 0.924 37 D HN 0.743 nan 8.370 nan 0.000 0.515 38 G N 0.344 109.113 108.800 -0.051 0.000 2.245 38 G HA2 -0.399 3.560 3.960 -0.003 0.000 0.264 38 G HA3 -0.399 3.560 3.960 -0.003 0.000 0.264 38 G C 1.329 176.197 174.900 -0.053 0.000 0.985 38 G CA 0.819 45.885 45.100 -0.056 0.000 0.625 38 G HN 0.513 nan 8.290 nan 0.000 0.536 39 K N -1.023 119.350 120.400 -0.044 0.000 2.443 39 K HA 0.262 4.581 4.320 -0.003 0.000 0.200 39 K C 1.009 177.579 176.600 -0.050 0.000 1.278 39 K CA 0.727 56.996 56.287 -0.031 0.000 0.925 39 K CB 0.540 33.035 32.500 -0.008 0.000 1.225 39 K HN 0.174 nan 8.250 nan 0.000 0.514 40 T N 0.877 115.390 114.554 -0.068 0.000 2.851 40 T HA 0.488 4.837 4.350 -0.003 0.000 0.298 40 T C -0.058 174.556 174.700 -0.143 0.000 0.977 40 T CA 0.007 62.047 62.100 -0.099 0.000 1.126 40 T CB 0.966 69.780 68.868 -0.090 0.000 0.916 40 T HN 0.353 nan 8.240 nan 0.000 0.529 41 G N 2.098 110.782 108.800 -0.193 0.000 2.694 41 G HA2 0.381 4.339 3.960 -0.003 0.000 0.290 41 G HA3 0.381 4.339 3.960 -0.003 0.000 0.290 41 G C 0.132 174.859 174.900 -0.288 0.000 1.386 41 G CA -0.584 44.376 45.100 -0.233 0.000 0.872 41 G HN 0.569 nan 8.290 nan 0.000 0.475 42 D N -0.570 119.661 120.400 -0.282 0.000 2.289 42 D HA 0.226 4.865 4.640 -0.003 0.000 0.207 42 D C 1.085 177.191 176.300 -0.323 0.000 0.966 42 D CA 1.573 55.414 54.000 -0.265 0.000 0.868 42 D CB 0.834 41.517 40.800 -0.195 0.000 0.943 42 D HN 0.805 nan 8.370 nan 0.000 0.514 43 G N 0.018 108.589 108.800 -0.383 0.000 2.308 43 G HA2 0.438 4.396 3.960 -0.003 0.000 0.288 43 G HA3 0.438 4.396 3.960 -0.003 0.000 0.288 43 G C -1.761 172.897 174.900 -0.404 0.000 1.722 43 G CA -0.188 44.630 45.100 -0.470 0.000 0.924 43 G HN 0.280 nan 8.290 nan 0.000 0.732 44 A N -0.266 122.208 122.820 -0.576 0.000 2.594 44 A HA 1.160 5.478 4.320 -0.003 0.000 0.291 44 A C 0.039 177.507 177.584 -0.195 0.000 1.105 44 A CA -0.005 51.833 52.037 -0.333 0.000 0.694 44 A CB 1.783 20.549 19.000 -0.390 0.000 1.291 44 A HN 2.579 nan 8.150 nan 0.000 0.410 45 G N -0.854 107.986 108.800 0.067 0.000 2.667 45 G HA2 0.619 4.577 3.960 -0.003 0.000 0.294 45 G HA3 0.619 4.577 3.960 -0.003 0.000 0.294 45 G C -1.859 173.195 174.900 0.256 0.000 1.467 45 G CA -0.004 45.202 45.100 0.177 0.000 0.852 45 G HN 1.604 nan 8.290 nan 0.000 0.521 46 I N 0.309 121.053 120.570 0.290 0.000 2.644 46 I HA 0.550 4.718 4.170 -0.003 0.000 0.291 46 I C -1.656 174.634 176.117 0.289 0.000 1.180 46 I CA -0.976 60.491 61.300 0.278 0.000 1.040 46 I CB 2.237 40.357 38.000 0.199 0.000 1.255 46 I HN 0.667 nan 8.210 nan 0.000 0.422 47 H N 7.756 126.931 119.070 0.175 0.000 2.673 47 H HA 0.611 5.165 4.556 -0.003 0.000 0.293 47 H C -1.445 173.916 175.328 0.055 0.000 1.065 47 H CA -0.376 55.773 56.048 0.169 0.000 1.236 47 H CB 0.845 30.741 29.762 0.225 0.000 1.389 47 H HN 0.482 nan 8.280 nan 0.000 0.481 48 V N 1.857 121.902 119.914 0.218 0.000 3.181 48 V HA 0.903 5.021 4.120 -0.003 0.000 0.314 48 V C 0.185 176.212 176.094 -0.111 0.000 1.173 48 V CA -0.917 61.256 62.300 -0.212 0.000 1.052 48 V CB 1.069 32.798 31.823 -0.157 0.000 1.123 48 V HN 0.817 nan 8.190 nan 0.000 0.454 49 A N 0.772 123.411 122.820 -0.302 0.000 2.440 49 A HA 0.583 4.901 4.320 -0.003 0.000 0.251 49 A C 0.194 177.771 177.584 -0.011 0.000 1.089 49 A CA -0.305 51.733 52.037 0.002 0.000 0.779 49 A CB 0.144 19.177 19.000 0.054 0.000 1.022 49 A HN 1.368 nan 8.150 nan 0.000 0.492 50 V N 4.738 124.644 119.914 -0.013 0.000 2.539 50 V HA 0.080 4.199 4.120 -0.003 0.000 0.300 50 V C -1.829 174.184 176.094 -0.134 0.000 1.019 50 V CA -0.124 62.101 62.300 -0.124 0.000 1.160 50 V CB 0.199 31.896 31.823 -0.208 0.000 0.901 50 V HN 0.803 nan 8.190 nan 0.000 0.481 51 P HA 0.250 nan 4.420 nan 0.000 0.274 51 P C 0.515 177.814 177.300 -0.001 0.000 1.504 51 P CA -0.423 62.553 63.100 -0.207 0.000 1.011 51 P CB 0.836 32.142 31.700 -0.657 0.000 1.366 52 Q N 2.016 121.823 119.800 0.011 0.000 2.234 52 Q HA -0.190 4.149 4.340 -0.003 0.000 0.206 52 Q C 1.175 177.231 176.000 0.092 0.000 0.980 52 Q CA 1.511 57.352 55.803 0.063 0.000 0.869 52 Q CB -0.321 28.436 28.738 0.031 0.000 0.912 52 Q HN 0.553 nan 8.270 nan 0.000 0.436 53 K N 0.733 121.173 120.400 0.066 0.000 1.969 53 K HA -0.159 4.159 4.320 -0.003 0.000 0.220 53 K C 1.810 178.467 176.600 0.095 0.000 1.040 53 K CA 1.248 57.573 56.287 0.063 0.000 0.981 53 K CB -0.624 31.906 32.500 0.050 0.000 0.746 53 K HN -0.024 nan 8.250 nan 0.000 0.444 54 F N 1.024 120.930 119.950 -0.074 0.000 2.076 54 F HA -0.389 4.136 4.527 -0.003 0.000 0.285 54 F C 1.979 177.721 175.800 -0.097 0.000 1.083 54 F CA 1.869 59.798 58.000 -0.118 0.000 1.294 54 F CB -0.509 38.319 39.000 -0.286 0.000 0.947 54 F HN 0.029 nan 8.300 nan 0.000 0.501 55 F N 0.130 120.188 119.950 0.179 0.000 2.074 55 F HA -0.110 4.415 4.527 -0.003 0.000 0.293 55 F C 2.434 178.230 175.800 -0.008 0.000 1.116 55 F CA 1.897 59.945 58.000 0.081 0.000 1.212 55 F CB -1.032 37.998 39.000 0.049 0.000 0.998 55 F HN -0.184 nan 8.300 nan 0.000 0.471 56 K N 0.234 120.730 120.400 0.159 0.000 2.032 56 K HA -0.276 4.042 4.320 -0.003 0.000 0.218 56 K C 1.700 178.311 176.600 0.019 0.000 1.054 56 K CA 2.151 58.470 56.287 0.054 0.000 0.941 56 K CB -0.601 31.926 32.500 0.044 0.000 0.720 56 K HN 0.163 nan 8.250 nan 0.000 0.449 57 D N -0.421 119.970 120.400 -0.016 0.000 2.177 57 D HA -0.236 4.403 4.640 -0.003 0.000 0.189 57 D C 1.788 178.042 176.300 -0.077 0.000 1.002 57 D CA 1.894 55.857 54.000 -0.060 0.000 0.845 57 D CB -0.734 39.992 40.800 -0.125 0.000 0.960 57 D HN 0.361 nan 8.370 nan 0.000 0.447 58 H N 0.080 119.011 119.070 -0.233 0.000 2.297 58 H HA -0.167 4.387 4.556 -0.003 0.000 0.289 58 H C 2.087 177.372 175.328 -0.072 0.000 1.105 58 H CA 2.329 58.245 56.048 -0.220 0.000 1.219 58 H CB -0.514 29.038 29.762 -0.349 0.000 1.351 58 H HN 0.033 nan 8.280 nan 0.000 0.481 59 V N 0.348 120.279 119.914 0.028 0.000 2.490 59 V HA -0.207 3.912 4.120 -0.003 0.000 0.250 59 V C 2.256 178.409 176.094 0.098 0.000 1.061 59 V CA 2.138 64.474 62.300 0.059 0.000 1.064 59 V CB -0.381 31.454 31.823 0.020 0.000 0.670 59 V HN 0.456 nan 8.190 nan 0.000 0.461 60 K N -0.793 119.635 120.400 0.046 0.000 2.001 60 K HA -0.117 4.201 4.320 -0.003 0.000 0.208 60 K C 1.964 178.568 176.600 0.006 0.000 1.048 60 K CA 1.537 57.857 56.287 0.055 0.000 0.932 60 K CB -0.415 32.098 32.500 0.021 0.000 0.715 60 K HN 0.338 nan 8.250 nan 0.000 0.437 61 V N 2.067 121.937 119.914 -0.073 0.000 2.546 61 V HA -0.237 3.881 4.120 -0.003 0.000 0.254 61 V C 1.958 178.003 176.094 -0.080 0.000 1.076 61 V CA 1.491 63.734 62.300 -0.096 0.000 1.087 61 V CB -0.462 31.272 31.823 -0.149 0.000 0.674 61 V HN 0.334 nan 8.190 nan 0.000 0.470 62 I N -0.063 120.463 120.570 -0.072 0.000 3.251 62 I HA 0.136 4.305 4.170 -0.003 0.000 0.277 62 I C 1.516 177.674 176.117 0.069 0.000 1.268 62 I CA 1.060 62.362 61.300 0.003 0.000 1.449 62 I CB -0.375 37.671 38.000 0.076 0.000 1.083 62 I HN 0.530 nan 8.210 nan 0.000 0.464 63 G N 1.463 110.310 108.800 0.079 0.000 2.356 63 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.233 63 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.233 63 G C -0.247 174.671 174.900 0.029 0.000 1.105 63 G CA -0.356 44.771 45.100 0.044 0.000 0.861 63 G HN 0.425 nan 8.290 nan 0.000 0.493 64 H N -0.910 118.209 119.070 0.081 0.000 2.713 64 H HA 0.808 5.362 4.556 -0.003 0.000 0.340 64 H C 0.591 175.985 175.328 0.111 0.000 1.271 64 H CA -0.552 55.570 56.048 0.123 0.000 1.306 64 H CB 1.047 30.968 29.762 0.265 0.000 1.839 64 H HN 0.348 nan 8.280 nan 0.000 0.627 65 R N 0.733 121.395 120.500 0.271 0.000 2.460 65 R HA 0.668 5.006 4.340 -0.003 0.000 0.303 65 R C -1.063 175.360 176.300 0.205 0.000 0.968 65 R CA -0.934 55.268 56.100 0.171 0.000 0.889 65 R CB 0.972 31.333 30.300 0.101 0.000 1.123 65 R HN 0.702 nan 8.270 nan 0.000 0.455 66 A N 5.682 128.582 122.820 0.133 0.000 2.450 66 A HA 0.350 4.668 4.320 -0.003 0.000 0.255 66 A C -2.132 175.512 177.584 0.102 0.000 1.096 66 A CA -1.175 50.928 52.037 0.109 0.000 0.778 66 A CB -0.009 19.029 19.000 0.063 0.000 1.031 66 A HN 0.617 nan 8.150 nan 0.000 0.494 67 P HA 0.241 nan 4.420 nan 0.000 0.275 67 P C -0.355 176.975 177.300 0.050 0.000 1.266 67 P CA -0.254 62.899 63.100 0.089 0.000 0.793 67 P CB 0.545 32.311 31.700 0.110 0.000 1.074 68 D N -1.581 118.839 120.400 0.034 0.000 2.183 68 D HA -0.069 4.570 4.640 -0.003 0.000 0.205 68 D C 0.399 176.710 176.300 0.019 0.000 0.962 68 D CA 1.001 55.014 54.000 0.022 0.000 0.849 68 D CB -0.795 40.013 40.800 0.013 0.000 0.978 68 D HN 0.421 nan 8.370 nan 0.000 0.488 69 N N 0.464 119.171 118.700 0.012 0.000 2.267 69 N HA 0.133 4.872 4.740 -0.003 0.000 0.269 69 N C -0.111 175.415 175.510 0.027 0.000 1.287 69 N CA -0.251 52.804 53.050 0.008 0.000 0.916 69 N CB 0.443 38.916 38.487 -0.024 0.000 1.052 69 N HN -0.130 nan 8.380 nan 0.000 0.496 70 K N -0.620 119.806 120.400 0.043 0.000 2.098 70 K HA 0.426 4.745 4.320 -0.003 0.000 0.258 70 K C -1.265 175.397 176.600 0.103 0.000 0.973 70 K CA -0.689 55.639 56.287 0.068 0.000 0.898 70 K CB 0.893 33.451 32.500 0.097 0.000 1.057 70 K HN 0.222 nan 8.250 nan 0.000 0.447 71 L N 2.262 123.524 121.223 0.065 0.000 2.307 71 L HA 0.496 4.834 4.340 -0.003 0.000 0.284 71 L C -0.725 176.149 176.870 0.006 0.000 1.023 71 L CA -0.105 54.759 54.840 0.039 0.000 0.810 71 L CB 1.271 43.292 42.059 -0.063 0.000 1.231 71 L HN 0.773 nan 8.230 nan 0.000 0.423 72 A N 4.411 127.275 122.820 0.074 0.000 2.304 72 A HA 0.763 5.082 4.320 -0.003 0.000 0.271 72 A C -0.908 176.509 177.584 -0.279 0.000 1.091 72 A CA -0.425 51.529 52.037 -0.140 0.000 0.812 72 A CB 0.825 19.660 19.000 -0.275 0.000 1.056 72 A HN 0.540 nan 8.150 nan 0.000 0.489 73 V N 0.208 119.906 119.914 -0.360 0.000 2.709 73 V HA 0.639 4.758 4.120 -0.003 0.000 0.308 73 V C 0.588 176.510 176.094 -0.287 0.000 1.062 73 V CA -0.238 61.850 62.300 -0.354 0.000 0.901 73 V CB 1.909 33.438 31.823 -0.490 0.000 1.003 73 V HN 1.246 nan 8.190 nan 0.000 0.425 74 G N 1.954 110.598 108.800 -0.260 0.000 2.348 74 G HA2 0.571 4.529 3.960 -0.003 0.000 0.312 74 G HA3 0.571 4.529 3.960 -0.003 0.000 0.312 74 G C -0.803 173.987 174.900 -0.184 0.000 1.126 74 G CA -0.335 44.621 45.100 -0.239 0.000 0.865 74 G HN 0.656 nan 8.290 nan 0.000 0.474 75 Q N 0.916 120.601 119.800 -0.191 0.000 2.348 75 Q HA 0.532 4.870 4.340 -0.003 0.000 0.265 75 Q C -0.899 174.998 176.000 -0.171 0.000 0.998 75 Q CA -0.718 54.992 55.803 -0.156 0.000 0.831 75 Q CB 1.906 30.519 28.738 -0.207 0.000 1.251 75 Q HN 0.705 nan 8.270 nan 0.000 0.456 76 V N 4.045 123.950 119.914 -0.016 0.000 2.760 76 V HA 0.657 4.776 4.120 -0.003 0.000 0.309 76 V C -1.795 174.446 176.094 0.245 0.000 1.077 76 V CA -0.686 61.599 62.300 -0.025 0.000 0.910 76 V CB 1.481 33.316 31.823 0.019 0.000 1.008 76 V HN 0.672 nan 8.190 nan 0.000 0.424 77 F N 6.515 126.413 119.950 -0.086 0.000 2.371 77 F HA 0.666 5.192 4.527 -0.002 0.000 0.363 77 F C 0.117 175.898 175.800 -0.032 0.000 1.122 77 F CA -1.307 56.684 58.000 -0.015 0.000 1.129 77 F CB 0.911 39.948 39.000 0.061 0.000 1.173 77 F HN 0.414 nan 8.300 nan 0.000 0.489 78 L N 4.993 126.340 121.223 0.207 0.000 2.375 78 L HA 0.550 4.888 4.340 -0.003 0.000 0.268 78 L C -2.208 174.738 176.870 0.126 0.000 1.058 78 L CA -2.129 52.840 54.840 0.215 0.000 0.803 78 L CB 0.453 42.617 42.059 0.176 0.000 1.212 78 L HN 0.311 nan 8.230 nan 0.000 0.451 79 P HA 0.004 nan 4.420 nan 0.000 0.265 79 P C -0.355 176.955 177.300 0.017 0.000 1.187 79 P CA 0.061 63.204 63.100 0.071 0.000 0.766 79 P CB 0.470 32.214 31.700 0.074 0.000 0.820 80 R N 3.251 123.738 120.500 -0.022 0.000 2.446 80 R HA 0.302 4.641 4.340 -0.003 0.000 0.254 80 R C 0.891 177.169 176.300 -0.036 0.000 0.918 80 R CA 0.238 56.311 56.100 -0.045 0.000 1.069 80 R CB 0.063 30.306 30.300 -0.094 0.000 1.194 80 R HN 0.356 nan 8.270 nan 0.000 0.534 81 I N 0.015 120.571 120.570 -0.023 0.000 3.939 81 I HA 0.121 4.289 4.170 -0.003 0.000 0.313 81 I C 0.167 176.275 176.117 -0.014 0.000 1.274 81 I CA 0.113 61.402 61.300 -0.019 0.000 1.301 81 I CB 1.071 39.061 38.000 -0.016 0.000 1.105 81 I HN 0.040 nan 8.210 nan 0.000 0.427 82 S N 1.549 117.243 115.700 -0.009 0.000 2.488 82 S HA 0.343 4.811 4.470 -0.003 0.000 0.310 82 S C 1.143 175.733 174.600 -0.016 0.000 1.093 82 S CA -0.547 57.647 58.200 -0.010 0.000 1.129 82 S CB 0.377 63.574 63.200 -0.004 0.000 0.989 82 S HN 0.183 nan 8.310 nan 0.000 0.479 83 L N 2.866 124.075 121.223 -0.023 0.000 2.043 83 L HA -0.142 4.197 4.340 -0.003 0.000 0.212 83 L C 2.010 178.860 176.870 -0.034 0.000 1.075 83 L CA 1.286 56.107 54.840 -0.032 0.000 0.752 83 L CB -0.627 41.412 42.059 -0.034 0.000 0.891 83 L HN 0.512 nan 8.230 nan 0.000 0.432 84 D N 0.306 120.689 120.400 -0.027 0.000 2.149 84 D HA -0.222 4.417 4.640 -0.003 0.000 0.194 84 D C 2.139 178.421 176.300 -0.031 0.000 1.001 84 D CA 1.792 55.775 54.000 -0.028 0.000 0.849 84 D CB 0.026 40.813 40.800 -0.021 0.000 0.939 84 D HN 0.400 nan 8.370 nan 0.000 0.449 85 A N 0.486 123.293 122.820 -0.022 0.000 1.930 85 A HA -0.151 4.168 4.320 -0.003 0.000 0.215 85 A C 2.100 179.671 177.584 -0.023 0.000 1.176 85 A CA 0.979 53.005 52.037 -0.018 0.000 0.632 85 A CB -0.447 18.554 19.000 0.002 0.000 0.819 85 A HN 0.206 nan 8.150 nan 0.000 0.445 86 Q N -0.210 119.577 119.800 -0.022 0.000 2.133 86 Q HA -0.249 4.090 4.340 -0.003 0.000 0.208 86 Q C 1.879 177.828 176.000 -0.085 0.000 0.991 86 Q CA 1.575 57.358 55.803 -0.034 0.000 0.867 86 Q CB -0.300 28.405 28.738 -0.056 0.000 0.911 86 Q HN 0.580 nan 8.270 nan 0.000 0.417 87 E N 0.682 120.826 120.200 -0.093 0.000 2.021 87 E HA -0.227 4.121 4.350 -0.003 0.000 0.200 87 E C 2.101 178.644 176.600 -0.094 0.000 1.015 87 E CA 1.376 57.711 56.400 -0.109 0.000 0.824 87 E CB -0.521 29.131 29.700 -0.081 0.000 0.762 87 E HN 0.390 nan 8.360 nan 0.000 0.454 88 A N 1.016 123.791 122.820 -0.075 0.000 1.940 88 A HA -0.293 4.025 4.320 -0.003 0.000 0.221 88 A C 2.728 180.243 177.584 -0.114 0.000 1.190 88 A CA 2.023 54.012 52.037 -0.079 0.000 0.647 88 A CB -1.186 17.771 19.000 -0.071 0.000 0.821 88 A HN 0.400 nan 8.150 nan 0.000 0.457 89 C N -0.466 118.760 119.300 -0.123 0.000 2.455 89 C HA -0.137 4.322 4.460 -0.003 0.000 0.281 89 C C 2.930 177.862 174.990 -0.096 0.000 1.237 89 C CA 1.336 60.246 59.018 -0.180 0.000 1.726 89 C CB -1.310 26.396 27.740 -0.057 0.000 2.068 89 C HN 0.804 nan 8.230 nan 0.000 0.466 90 R N 0.418 120.866 120.500 -0.088 0.000 2.152 90 R HA -0.125 4.214 4.340 -0.003 0.000 0.232 90 R C 1.894 178.219 176.300 0.041 0.000 1.117 90 R CA 1.960 58.024 56.100 -0.060 0.000 0.981 90 R CB -1.214 28.771 30.300 -0.524 0.000 0.870 90 R HN 0.517 nan 8.270 nan 0.000 0.451 91 C N 1.180 120.469 119.300 -0.019 0.000 2.446 91 C HA 0.036 4.494 4.460 -0.003 0.000 0.277 91 C C 2.638 177.642 174.990 0.023 0.000 1.275 91 C CA 0.300 59.326 59.018 0.013 0.000 1.727 91 C CB -0.741 26.990 27.740 -0.014 0.000 2.010 91 C HN 0.446 nan 8.230 nan 0.000 0.486 92 I N 1.008 121.561 120.570 -0.029 0.000 2.179 92 I HA -0.176 3.992 4.170 -0.003 0.000 0.242 92 I C 2.432 178.550 176.117 0.001 0.000 1.088 92 I CA 1.442 62.712 61.300 -0.050 0.000 1.357 92 I CB -0.510 37.400 38.000 -0.151 0.000 1.051 92 I HN 0.155 nan 8.210 nan 0.000 0.409 93 V N 0.629 120.576 119.914 0.053 0.000 2.332 93 V HA -0.298 3.820 4.120 -0.003 0.000 0.248 93 V C 2.294 178.466 176.094 0.131 0.000 1.055 93 V CA 1.984 64.367 62.300 0.138 0.000 1.038 93 V CB -0.815 31.218 31.823 0.351 0.000 0.651 93 V HN 0.446 nan 8.190 nan 0.000 0.450 94 E N 0.064 120.377 120.200 0.188 0.000 2.015 94 E HA -0.152 4.197 4.350 -0.003 0.000 0.191 94 E C 2.314 178.974 176.600 0.100 0.000 0.991 94 E CA 1.703 58.196 56.400 0.156 0.000 0.802 94 E CB -0.434 29.390 29.700 0.206 0.000 0.759 94 E HN 0.578 nan 8.360 nan 0.000 0.447 95 T N 1.734 116.338 114.554 0.083 0.000 2.531 95 T HA -0.261 4.087 4.350 -0.003 0.000 0.261 95 T C 1.599 176.352 174.700 0.088 0.000 1.141 95 T CA 1.825 63.969 62.100 0.074 0.000 1.176 95 T CB -0.485 68.412 68.868 0.049 0.000 0.863 95 T HN 0.155 nan 8.240 nan 0.000 0.424 96 E N 0.834 121.073 120.200 0.065 0.000 2.086 96 E HA -0.161 4.187 4.350 -0.003 0.000 0.205 96 E C 2.245 178.902 176.600 0.096 0.000 1.027 96 E CA 1.317 57.760 56.400 0.071 0.000 0.830 96 E CB -0.739 28.960 29.700 -0.002 0.000 0.751 96 E HN 0.580 nan 8.360 nan 0.000 0.456 97 I N 0.618 121.214 120.570 0.044 0.000 2.454 97 I HA -0.247 3.921 4.170 -0.003 0.000 0.254 97 I C 2.441 178.680 176.117 0.204 0.000 1.156 97 I CA 0.615 61.946 61.300 0.051 0.000 1.433 97 I CB -0.208 37.791 38.000 -0.003 0.000 1.082 97 I HN 0.031 nan 8.210 nan 0.000 0.432 98 L N 0.406 121.733 121.223 0.173 0.000 2.056 98 L HA -0.130 4.209 4.340 -0.003 0.000 0.207 98 L C 2.611 179.618 176.870 0.228 0.000 1.078 98 L CA 1.182 56.138 54.840 0.193 0.000 0.749 98 L CB -0.553 41.586 42.059 0.134 0.000 0.901 98 L HN 0.207 nan 8.230 nan 0.000 0.433 99 A N -1.281 121.676 122.820 0.229 0.000 2.239 99 A HA -0.089 4.229 4.320 -0.003 0.000 0.209 99 A C 1.535 179.253 177.584 0.223 0.000 1.171 99 A CA 0.727 52.878 52.037 0.189 0.000 0.768 99 A CB -0.598 18.478 19.000 0.127 0.000 0.790 99 A HN 0.346 nan 8.150 nan 0.000 0.478 100 F N -0.423 119.648 119.950 0.202 0.000 2.732 100 F HA 0.312 4.837 4.527 -0.002 0.000 0.303 100 F C 1.811 177.777 175.800 0.277 0.000 1.110 100 F CA 0.076 58.254 58.000 0.295 0.000 1.355 100 F CB -0.150 39.122 39.000 0.454 0.000 1.081 100 F HN 0.343 nan 8.300 nan 0.000 0.565 101 G N -0.212 108.783 108.800 0.325 0.000 2.233 101 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.270 101 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.270 101 G C 0.325 175.342 174.900 0.195 0.000 1.011 101 G CA 0.291 45.507 45.100 0.193 0.000 0.762 101 G HN 0.336 nan 8.290 nan 0.000 0.511 102 Y N -1.489 118.961 120.300 0.250 0.000 2.433 102 Y HA 0.594 5.143 4.550 -0.003 0.000 0.411 102 Y C 0.650 176.717 175.900 0.278 0.000 1.383 102 Y CA -0.334 57.927 58.100 0.268 0.000 1.896 102 Y CB 0.257 38.913 38.460 0.327 0.000 1.750 102 Y HN 0.201 nan 8.280 nan 0.000 0.627 103 Y N 0.578 121.084 120.300 0.344 0.000 2.391 103 Y HA 0.503 5.051 4.550 -0.003 0.000 0.341 103 Y C -1.130 174.883 175.900 0.188 0.000 0.965 103 Y CA -1.703 56.512 58.100 0.193 0.000 1.067 103 Y CB 0.805 39.341 38.460 0.127 0.000 1.199 103 Y HN 0.304 nan 8.280 nan 0.000 0.450 104 I N 7.891 128.015 120.570 -0.743 0.000 2.307 104 I HA 0.089 4.258 4.170 -0.003 0.000 0.287 104 I C -0.281 175.395 176.117 -0.734 0.000 1.054 104 I CA -0.408 60.565 61.300 -0.546 0.000 1.218 104 I CB 0.443 38.280 38.000 -0.271 0.000 1.398 104 I HN 0.736 nan 8.210 nan 0.000 0.475 105 Y N 4.794 124.802 120.300 -0.486 0.000 2.497 105 Y HA 0.075 4.623 4.550 -0.003 0.000 0.292 105 Y C 1.702 177.502 175.900 -0.167 0.000 1.137 105 Y CA 0.648 58.557 58.100 -0.319 0.000 1.285 105 Y CB -0.584 37.748 38.460 -0.213 0.000 0.991 105 Y HN 0.762 nan 8.280 nan 0.000 0.556 106 G N -1.724 107.060 108.800 -0.027 0.000 2.655 106 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.680 106 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.680 106 G C -0.799 174.085 174.900 -0.026 0.000 1.302 106 G CA -0.992 44.100 45.100 -0.014 0.000 0.872 106 G HN 0.159 nan 8.290 nan 0.000 0.540 107 W N -0.070 121.279 121.300 0.082 0.000 2.123 107 W HA 0.617 5.275 4.660 -0.003 0.000 0.351 107 W C 1.247 177.820 176.519 0.090 0.000 1.292 107 W CA 0.454 57.847 57.345 0.079 0.000 1.263 107 W CB 0.429 29.926 29.460 0.061 0.000 1.165 107 W HN 0.654 nan 8.180 nan 0.000 0.590 108 R N 2.180 122.848 120.500 0.279 0.000 2.531 108 R HA 0.148 4.487 4.340 -0.003 0.000 0.293 108 R C -0.831 175.555 176.300 0.143 0.000 1.124 108 R CA -0.774 55.416 56.100 0.150 0.000 0.945 108 R CB 1.049 31.314 30.300 -0.057 0.000 1.195 108 R HN 0.686 nan 8.270 nan 0.000 0.433 109 Q N 3.826 123.704 119.800 0.131 0.000 2.289 109 Q HA 0.140 4.478 4.340 -0.003 0.000 0.273 109 Q C -0.836 175.205 176.000 0.067 0.000 1.029 109 Q CA -0.300 55.561 55.803 0.098 0.000 0.896 109 Q CB 1.131 29.910 28.738 0.069 0.000 1.182 109 Q HN 0.413 nan 8.270 nan 0.000 0.385 110 V N 6.985 126.935 119.914 0.060 0.000 2.555 110 V HA 0.208 4.326 4.120 -0.003 0.000 0.286 110 V C -1.893 174.218 176.094 0.029 0.000 1.044 110 V CA -1.430 60.895 62.300 0.042 0.000 1.026 110 V CB 0.548 32.373 31.823 0.004 0.000 0.981 110 V HN 0.884 nan 8.190 nan 0.000 0.480 111 P HA 0.387 nan 4.420 nan 0.000 0.269 111 P C -0.433 176.842 177.300 -0.042 0.000 1.215 111 P CA 0.118 63.218 63.100 0.001 0.000 0.780 111 P CB 0.444 32.160 31.700 0.027 0.000 0.898 112 I N -1.868 118.601 120.570 -0.168 0.000 2.947 112 I HA 0.426 4.594 4.170 -0.003 0.000 0.301 112 I C -1.754 174.107 176.117 -0.428 0.000 1.453 112 I CA -0.993 60.030 61.300 -0.462 0.000 0.984 112 I CB 2.566 40.095 38.000 -0.785 0.000 1.333 112 I HN 0.217 nan 8.210 nan 0.000 0.475 113 N N 3.394 121.782 118.700 -0.519 0.000 2.626 113 N HA 0.401 5.139 4.740 -0.003 0.000 0.242 113 N C 0.554 175.973 175.510 -0.151 0.000 1.005 113 N CA -0.718 52.186 53.050 -0.243 0.000 0.905 113 N CB 1.873 40.282 38.487 -0.131 0.000 1.128 113 N HN 0.686 nan 8.380 nan 0.000 0.512 114 V N 0.351 120.213 119.914 -0.087 0.000 3.541 114 V HA 0.025 4.144 4.120 -0.003 0.000 0.272 114 V C 0.804 176.949 176.094 0.084 0.000 1.215 114 V CA 0.736 63.083 62.300 0.079 0.000 1.176 114 V CB -0.340 31.526 31.823 0.072 0.000 0.854 114 V HN 0.560 nan 8.190 nan 0.000 0.496 115 D N 2.254 122.676 120.400 0.038 0.000 2.178 115 D HA -0.055 4.583 4.640 -0.003 0.000 0.202 115 D C 1.794 178.129 176.300 0.058 0.000 0.974 115 D CA 1.916 55.938 54.000 0.037 0.000 0.841 115 D CB -0.141 40.666 40.800 0.013 0.000 0.953 115 D HN 0.777 nan 8.370 nan 0.000 0.478 116 I N -1.658 118.963 120.570 0.085 0.000 3.752 116 I HA 0.196 4.365 4.170 -0.003 0.000 0.313 116 I C 0.357 176.539 176.117 0.108 0.000 1.304 116 I CA -0.016 61.332 61.300 0.081 0.000 1.171 116 I CB -0.213 37.831 38.000 0.072 0.000 1.038 116 I HN -0.223 nan 8.210 nan 0.000 0.427 117 I N 1.182 121.833 120.570 0.135 0.000 2.707 117 I HA 0.530 4.698 4.170 -0.003 0.000 0.309 117 I C 0.890 177.058 176.117 0.086 0.000 1.001 117 I CA -0.645 60.737 61.300 0.136 0.000 1.129 117 I CB 2.008 40.152 38.000 0.240 0.000 1.308 117 I HN 0.162 nan 8.210 nan 0.000 0.466 118 G N 1.801 110.637 108.800 0.060 0.000 2.502 118 G HA2 0.197 4.156 3.960 -0.003 0.000 0.305 118 G HA3 0.197 4.156 3.960 -0.003 0.000 0.305 118 G C 0.399 175.335 174.900 0.059 0.000 1.190 118 G CA -0.236 44.886 45.100 0.037 0.000 0.933 118 G HN 0.783 nan 8.290 nan 0.000 0.503 119 E N -0.405 119.821 120.200 0.044 0.000 2.047 119 E HA -0.127 4.221 4.350 -0.003 0.000 0.191 119 E C 2.220 178.863 176.600 0.072 0.000 0.987 119 E CA 0.942 57.376 56.400 0.056 0.000 0.799 119 E CB 0.047 29.773 29.700 0.042 0.000 0.752 119 E HN 0.338 nan 8.360 nan 0.000 0.449 120 K N 0.602 121.038 120.400 0.059 0.000 2.071 120 K HA -0.245 4.073 4.320 -0.003 0.000 0.217 120 K C 1.709 178.381 176.600 0.120 0.000 1.054 120 K CA 1.939 58.271 56.287 0.076 0.000 0.937 120 K CB -0.691 31.827 32.500 0.030 0.000 0.719 120 K HN 0.220 nan 8.250 nan 0.000 0.454 121 A N -0.012 122.883 122.820 0.124 0.000 1.874 121 A HA -0.099 4.220 4.320 -0.003 0.000 0.214 121 A C 2.023 179.800 177.584 0.322 0.000 1.189 121 A CA 1.676 53.860 52.037 0.244 0.000 0.615 121 A CB -0.725 18.374 19.000 0.166 0.000 0.830 121 A HN 0.498 nan 8.150 nan 0.000 0.443 122 N N 0.345 119.170 118.700 0.209 0.000 2.430 122 N HA -0.076 4.663 4.740 -0.003 0.000 0.186 122 N C 1.475 177.030 175.510 0.074 0.000 1.032 122 N CA 1.380 54.516 53.050 0.142 0.000 0.893 122 N CB -0.241 38.306 38.487 0.100 0.000 0.957 122 N HN 0.396 nan 8.380 nan 0.000 0.442 123 A N -0.977 121.902 122.820 0.098 0.000 1.929 123 A HA -0.054 4.264 4.320 -0.003 0.000 0.216 123 A C 2.018 179.629 177.584 0.045 0.000 1.176 123 A CA 1.804 53.880 52.037 0.064 0.000 0.628 123 A CB -0.756 18.294 19.000 0.083 0.000 0.816 123 A HN 0.495 nan 8.150 nan 0.000 0.444 124 T N -3.309 111.304 114.554 0.099 0.000 3.092 124 T HA 0.273 4.621 4.350 -0.003 0.000 0.258 124 T C 0.654 175.263 174.700 -0.150 0.000 1.031 124 T CA -0.437 61.704 62.100 0.068 0.000 0.925 124 T CB -0.267 68.719 68.868 0.196 0.000 1.036 124 T HN 0.312 nan 8.240 nan 0.000 0.544 125 R N 3.232 123.562 120.500 -0.283 0.000 2.502 125 R HA 0.167 4.505 4.340 -0.003 0.000 0.292 125 R C -2.184 173.695 176.300 -0.702 0.000 0.998 125 R CA -1.108 54.438 56.100 -0.923 0.000 1.056 125 R CB 0.379 30.360 30.300 -0.533 0.000 0.939 125 R HN 0.283 nan 8.270 nan 0.000 0.411 126 P HA 0.071 nan 4.420 nan 0.000 0.293 126 P C -1.218 175.860 177.300 -0.370 0.000 1.304 126 P CA -0.334 62.496 63.100 -0.450 0.000 0.767 126 P CB 0.551 32.004 31.700 -0.412 0.000 1.247 127 E N 0.242 120.342 120.200 -0.167 0.000 2.046 127 E HA 0.308 4.657 4.350 -0.003 0.000 0.279 127 E C -0.746 175.841 176.600 -0.020 0.000 0.989 127 E CA -0.321 56.021 56.400 -0.095 0.000 0.798 127 E CB -0.933 28.745 29.700 -0.037 0.000 1.086 127 E HN 0.214 nan 8.360 nan 0.000 0.399 128 I N 4.571 125.125 120.570 -0.026 0.000 2.396 128 I HA 0.232 4.401 4.170 -0.003 0.000 0.289 128 I C 0.330 176.528 176.117 0.136 0.000 1.056 128 I CA 0.081 61.445 61.300 0.106 0.000 1.365 128 I CB 0.569 38.649 38.000 0.133 0.000 1.407 128 I HN 0.498 nan 8.210 nan 0.000 0.509 129 E N 5.887 126.205 120.200 0.197 0.000 2.343 129 E HA 0.377 4.726 4.350 -0.003 0.000 0.278 129 E C -1.385 175.348 176.600 0.220 0.000 0.910 129 E CA -0.934 55.605 56.400 0.232 0.000 0.757 129 E CB 2.447 32.358 29.700 0.352 0.000 1.218 129 E HN 0.519 nan 8.360 nan 0.000 0.435 130 Q N 1.474 121.373 119.800 0.166 0.000 2.222 130 Q HA 0.606 4.945 4.340 -0.003 0.000 0.252 130 Q C -0.673 175.287 176.000 -0.067 0.000 0.926 130 Q CA -0.531 55.312 55.803 0.066 0.000 0.899 130 Q CB 2.249 31.060 28.738 0.121 0.000 1.250 130 Q HN 0.485 nan 8.270 nan 0.000 0.441 131 I N 2.006 122.391 120.570 -0.309 0.000 2.498 131 I HA 0.457 4.625 4.170 -0.003 0.000 0.290 131 I C -1.451 174.448 176.117 -0.364 0.000 1.032 131 I CA -0.880 60.011 61.300 -0.681 0.000 1.073 131 I CB 1.105 38.327 38.000 -1.296 0.000 1.251 131 I HN 0.582 nan 8.210 nan 0.000 0.426 132 I N 7.792 128.217 120.570 -0.241 0.000 2.321 132 I HA 0.424 4.593 4.170 -0.003 0.000 0.291 132 I C -0.480 175.614 176.117 -0.039 0.000 0.998 132 I CA -0.745 60.495 61.300 -0.101 0.000 1.227 132 I CB 1.548 39.552 38.000 0.008 0.000 1.368 132 I HN 0.283 nan 8.210 nan 0.000 0.466 133 V N 4.649 124.549 119.914 -0.023 0.000 2.815 133 V HA 0.786 4.904 4.120 -0.003 0.000 0.314 133 V C 0.407 176.696 176.094 0.325 0.000 1.064 133 V CA -0.465 61.921 62.300 0.144 0.000 0.952 133 V CB 2.121 33.980 31.823 0.059 0.000 1.020 133 V HN 0.900 nan 8.190 nan 0.000 0.439 134 G N 0.592 109.727 108.800 0.559 0.000 2.524 134 G HA2 0.396 4.354 3.960 -0.003 0.000 0.310 134 G HA3 0.396 4.354 3.960 -0.003 0.000 0.310 134 G C -0.645 174.530 174.900 0.458 0.000 1.279 134 G CA -0.553 44.884 45.100 0.561 0.000 0.974 134 G HN 0.541 nan 8.290 nan 0.000 0.484 135 N N 1.313 120.075 118.700 0.104 0.000 3.331 135 N HA -0.024 4.714 4.740 -0.003 0.000 0.303 135 N C 1.615 177.051 175.510 -0.124 0.000 1.326 135 N CA -0.582 52.325 53.050 -0.238 0.000 1.207 135 N CB 0.019 38.044 38.487 -0.770 0.000 1.477 135 N HN 0.567 nan 8.380 nan 0.000 0.541 136 N N 1.061 119.760 118.700 -0.002 0.000 2.192 136 N HA -0.224 4.514 4.740 -0.003 0.000 0.188 136 N C 0.696 176.122 175.510 -0.139 0.000 1.013 136 N CA 1.289 54.305 53.050 -0.057 0.000 0.863 136 N CB -0.152 38.321 38.487 -0.023 0.000 0.990 136 N HN 0.371 nan 8.380 nan 0.000 0.430 137 K N -0.033 120.213 120.400 -0.256 0.000 2.555 137 K HA 0.062 4.380 4.320 -0.003 0.000 0.193 137 K C 0.644 177.144 176.600 -0.166 0.000 1.032 137 K CA 0.439 56.580 56.287 -0.243 0.000 1.004 137 K CB -0.373 31.892 32.500 -0.391 0.000 0.804 137 K HN 0.430 nan 8.250 nan 0.000 0.496 138 G N 1.596 110.301 108.800 -0.159 0.000 2.305 138 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.287 138 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.287 138 G C 0.261 175.109 174.900 -0.087 0.000 1.036 138 G CA 0.302 45.335 45.100 -0.111 0.000 0.887 138 G HN 0.117 nan 8.290 nan 0.000 0.505 139 V N -0.079 119.774 119.914 -0.102 0.000 3.556 139 V HA 0.725 4.844 4.120 -0.003 0.000 0.292 139 V C 1.274 177.368 176.094 -0.001 0.000 1.030 139 V CA 0.027 62.317 62.300 -0.016 0.000 1.009 139 V CB 1.496 33.362 31.823 0.073 0.000 1.242 139 V HN 0.983 nan 8.190 nan 0.000 0.431 140 S N -0.580 115.157 115.700 0.062 0.000 2.616 140 S HA 0.237 4.705 4.470 -0.003 0.000 0.277 140 S C 0.468 175.142 174.600 0.123 0.000 1.234 140 S CA -0.597 57.646 58.200 0.071 0.000 1.028 140 S CB 1.220 64.463 63.200 0.071 0.000 0.988 140 S HN 0.643 nan 8.310 nan 0.000 0.522 141 D N 1.996 122.462 120.400 0.109 0.000 2.355 141 D HA -0.228 4.411 4.640 -0.003 0.000 0.192 141 D C 1.689 178.085 176.300 0.161 0.000 1.014 141 D CA 2.413 56.500 54.000 0.145 0.000 0.862 141 D CB -0.647 40.211 40.800 0.098 0.000 0.986 141 D HN 0.818 nan 8.370 nan 0.000 0.456 142 E N 0.405 120.675 120.200 0.115 0.000 2.187 142 E HA -0.187 4.162 4.350 -0.003 0.000 0.199 142 E C 2.000 178.690 176.600 0.151 0.000 1.004 142 E CA 0.956 57.422 56.400 0.110 0.000 0.813 142 E CB -0.269 29.479 29.700 0.081 0.000 0.736 142 E HN 0.349 nan 8.360 nan 0.000 0.468 143 Q N -1.171 118.741 119.800 0.187 0.000 2.311 143 Q HA 0.002 4.340 4.340 -0.003 0.000 0.203 143 Q C 1.696 177.908 176.000 0.354 0.000 0.954 143 Q CA 0.358 56.304 55.803 0.239 0.000 0.885 143 Q CB -0.068 28.805 28.738 0.226 0.000 0.963 143 Q HN 0.286 nan 8.270 nan 0.000 0.471 144 F N 2.402 122.427 119.950 0.124 0.000 2.084 144 F HA -0.148 4.377 4.527 -0.003 0.000 0.296 144 F C 2.067 177.872 175.800 0.008 0.000 1.111 144 F CA 1.238 59.297 58.000 0.098 0.000 1.224 144 F CB -0.147 38.909 39.000 0.093 0.000 0.991 144 F HN 0.040 nan 8.300 nan 0.000 0.471 145 E N 0.270 120.504 120.200 0.057 0.000 2.058 145 E HA -0.226 4.122 4.350 -0.003 0.000 0.194 145 E C 2.277 178.887 176.600 0.016 0.000 0.997 145 E CA 1.138 57.506 56.400 -0.055 0.000 0.801 145 E CB -1.280 28.418 29.700 -0.002 0.000 0.746 145 E HN 0.346 nan 8.360 nan 0.000 0.450 146 L N 2.281 123.564 121.223 0.101 0.000 2.021 146 L HA -0.217 4.121 4.340 -0.003 0.000 0.215 146 L C 1.512 178.470 176.870 0.146 0.000 1.074 146 L CA 2.107 57.042 54.840 0.159 0.000 0.760 146 L CB -0.935 41.237 42.059 0.190 0.000 0.889 146 L HN -0.088 nan 8.230 nan 0.000 0.433 147 D N -0.574 119.889 120.400 0.105 0.000 2.097 147 D HA -0.152 4.487 4.640 -0.003 0.000 0.197 147 D C 2.381 178.413 176.300 -0.447 0.000 0.984 147 D CA 1.562 55.534 54.000 -0.046 0.000 0.826 147 D CB -0.309 40.604 40.800 0.189 0.000 0.973 147 D HN 0.366 nan 8.370 nan 0.000 0.460 148 L N -0.065 120.891 121.223 -0.445 0.000 2.021 148 L HA -0.281 4.057 4.340 -0.003 0.000 0.215 148 L C 2.397 179.051 176.870 -0.359 0.000 1.074 148 L CA 1.451 55.979 54.840 -0.519 0.000 0.760 148 L CB -0.629 41.095 42.059 -0.559 0.000 0.889 148 L HN 0.121 nan 8.230 nan 0.000 0.433 149 Y N 0.889 121.018 120.300 -0.285 0.000 2.014 149 Y HA -0.297 4.252 4.550 -0.003 0.000 0.270 149 Y C 2.492 178.245 175.900 -0.245 0.000 1.145 149 Y CA 1.847 59.821 58.100 -0.209 0.000 1.106 149 Y CB -0.418 37.977 38.460 -0.109 0.000 0.968 149 Y HN -0.011 nan 8.280 nan 0.000 0.484 150 I N 0.069 120.508 120.570 -0.218 0.000 2.502 150 I HA -0.354 3.814 4.170 -0.003 0.000 0.258 150 I C 2.288 178.104 176.117 -0.502 0.000 1.172 150 I CA 1.491 62.564 61.300 -0.380 0.000 1.430 150 I CB -0.555 37.324 38.000 -0.203 0.000 1.086 150 I HN 0.369 nan 8.210 nan 0.000 0.440 151 I N 0.251 120.465 120.570 -0.593 0.000 2.193 151 I HA -0.238 3.931 4.170 -0.003 0.000 0.240 151 I C 2.835 178.740 176.117 -0.353 0.000 1.084 151 I CA 1.044 62.034 61.300 -0.517 0.000 1.365 151 I CB -0.423 37.217 38.000 -0.600 0.000 1.064 151 I HN 0.159 nan 8.210 nan 0.000 0.410 152 R N 0.860 121.139 120.500 -0.368 0.000 2.117 152 R HA -0.176 4.162 4.340 -0.003 0.000 0.243 152 R C 2.393 178.528 176.300 -0.275 0.000 1.143 152 R CA 1.336 57.266 56.100 -0.284 0.000 0.968 152 R CB -0.045 30.081 30.300 -0.291 0.000 0.863 152 R HN 0.255 nan 8.270 nan 0.000 0.444 153 R N 0.047 120.301 120.500 -0.409 0.000 2.115 153 R HA -0.041 4.297 4.340 -0.003 0.000 0.226 153 R C 2.187 178.361 176.300 -0.210 0.000 1.100 153 R CA 0.928 56.822 56.100 -0.343 0.000 0.980 153 R CB -0.365 29.642 30.300 -0.488 0.000 0.875 153 R HN 0.293 nan 8.270 nan 0.000 0.445 154 R N 0.180 120.553 120.500 -0.212 0.000 2.115 154 R HA 0.012 4.351 4.340 -0.003 0.000 0.230 154 R C 2.312 178.559 176.300 -0.090 0.000 1.111 154 R CA 1.005 57.029 56.100 -0.127 0.000 0.976 154 R CB -0.195 30.040 30.300 -0.108 0.000 0.870 154 R HN 0.191 nan 8.270 nan 0.000 0.445 155 I N 0.169 120.682 120.570 -0.095 0.000 2.130 155 I HA -0.233 3.936 4.170 -0.003 0.000 0.234 155 I C 2.274 178.357 176.117 -0.056 0.000 1.067 155 I CA 1.113 62.370 61.300 -0.072 0.000 1.339 155 I CB -0.407 37.581 38.000 -0.020 0.000 1.073 155 I HN 0.104 nan 8.210 nan 0.000 0.405 156 E N 1.332 121.543 120.200 0.019 0.000 2.149 156 E HA -0.368 3.981 4.350 -0.003 0.000 0.215 156 E C 2.082 178.690 176.600 0.014 0.000 1.055 156 E CA 2.503 58.947 56.400 0.073 0.000 0.870 156 E CB -0.168 29.524 29.700 -0.013 0.000 0.764 156 E HN 0.266 nan 8.360 nan 0.000 0.463 157 K N -0.839 119.543 120.400 -0.031 0.000 2.057 157 K HA -0.108 4.211 4.320 -0.003 0.000 0.206 157 K C 1.984 178.565 176.600 -0.031 0.000 1.050 157 K CA 1.278 57.548 56.287 -0.028 0.000 0.935 157 K CB -0.184 32.294 32.500 -0.037 0.000 0.715 157 K HN 0.201 nan 8.250 nan 0.000 0.439 158 A N 0.560 123.348 122.820 -0.054 0.000 1.872 158 A HA -0.050 4.268 4.320 -0.003 0.000 0.214 158 A C 2.199 179.732 177.584 -0.086 0.000 1.187 158 A CA 1.337 53.337 52.037 -0.063 0.000 0.614 158 A CB -0.597 18.359 19.000 -0.072 0.000 0.826 158 A HN 0.146 nan 8.150 nan 0.000 0.442 159 V N 1.176 121.005 119.914 -0.142 0.000 2.324 159 V HA -0.347 3.771 4.120 -0.003 0.000 0.250 159 V C 2.570 178.631 176.094 -0.056 0.000 1.060 159 V CA 2.556 64.752 62.300 -0.173 0.000 1.042 159 V CB -0.846 30.839 31.823 -0.231 0.000 0.650 159 V HN 0.767 nan 8.190 nan 0.000 0.450 160 K N 0.836 121.226 120.400 -0.017 0.000 2.001 160 K HA -0.134 4.184 4.320 -0.003 0.000 0.208 160 K C 2.245 178.842 176.600 -0.006 0.000 1.048 160 K CA 1.856 58.149 56.287 0.009 0.000 0.932 160 K CB -0.823 31.691 32.500 0.024 0.000 0.715 160 K HN 0.426 nan 8.250 nan 0.000 0.437 161 G N 1.014 109.805 108.800 -0.015 0.000 2.485 161 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.221 161 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.221 161 G C 1.322 176.211 174.900 -0.017 0.000 1.115 161 G CA 1.005 46.097 45.100 -0.014 0.000 0.751 161 G HN 0.411 nan 8.290 nan 0.000 0.567 162 E N -0.050 120.133 120.200 -0.029 0.000 2.347 162 E HA 0.039 4.387 4.350 -0.003 0.000 0.196 162 E C 1.124 177.713 176.600 -0.019 0.000 1.008 162 E CA 0.077 56.459 56.400 -0.031 0.000 0.852 162 E CB -0.140 29.528 29.700 -0.053 0.000 0.783 162 E HN 0.569 nan 8.360 nan 0.000 0.505 163 Q N -0.636 119.158 119.800 -0.010 0.000 2.464 163 Q HA -0.193 4.146 4.340 -0.003 0.000 0.286 163 Q C -0.853 175.152 176.000 0.009 0.000 1.343 163 Q CA 0.301 56.106 55.803 0.003 0.000 0.772 163 Q CB -2.215 26.524 28.738 0.002 0.000 1.160 163 Q HN 0.278 nan 8.270 nan 0.000 0.422 164 I N 1.310 121.886 120.570 0.010 0.000 2.331 164 I HA 0.233 4.401 4.170 -0.003 0.000 0.292 164 I C 0.599 176.764 176.117 0.081 0.000 0.998 164 I CA -0.602 60.715 61.300 0.028 0.000 1.267 164 I CB 0.897 38.894 38.000 -0.005 0.000 1.386 164 I HN 0.117 nan 8.210 nan 0.000 0.476 165 N N 5.910 124.658 118.700 0.079 0.000 2.515 165 N HA 0.140 4.878 4.740 -0.003 0.000 0.279 165 N C -0.151 175.444 175.510 0.142 0.000 1.164 165 N CA -0.116 52.994 53.050 0.100 0.000 0.982 165 N CB 1.007 39.532 38.487 0.064 0.000 1.170 165 N HN 0.613 nan 8.380 nan 0.000 0.474 166 D N -0.412 120.082 120.400 0.157 0.000 3.068 166 D HA -0.218 4.421 4.640 -0.003 0.000 0.218 166 D C -0.600 175.846 176.300 0.243 0.000 1.145 166 D CA 0.719 54.819 54.000 0.167 0.000 0.896 166 D CB -1.462 39.404 40.800 0.109 0.000 1.105 166 D HN 0.350 nan 8.370 nan 0.000 0.423 167 F N 1.202 121.246 119.950 0.157 0.000 2.425 167 F HA 0.595 5.120 4.527 -0.003 0.000 0.331 167 F C -0.897 175.066 175.800 0.273 0.000 1.085 167 F CA -0.871 57.233 58.000 0.173 0.000 1.028 167 F CB 1.275 40.338 39.000 0.105 0.000 1.177 167 F HN -0.031 nan 8.300 nan 0.000 0.487 168 Y N 5.922 125.526 120.300 -1.159 0.000 2.393 168 Y HA 0.403 4.952 4.550 -0.002 0.000 0.320 168 Y C -1.875 173.549 175.900 -0.793 0.000 1.241 168 Y CA -1.573 56.100 58.100 -0.711 0.000 1.122 168 Y CB 0.896 39.193 38.460 -0.273 0.000 1.322 168 Y HN 0.547 nan 8.280 nan 0.000 0.441 169 I N 6.948 126.733 120.570 -1.309 0.000 2.310 169 I HA 0.152 4.320 4.170 -0.003 0.000 0.287 169 I C 0.869 176.347 176.117 -1.066 0.000 1.073 169 I CA -0.485 60.251 61.300 -0.941 0.000 1.216 169 I CB 0.442 38.112 38.000 -0.550 0.000 1.415 169 I HN 0.786 nan 8.210 nan 0.000 0.480 170 C N 2.930 121.690 119.300 -0.901 0.000 2.382 170 C HA -0.139 4.320 4.460 -0.003 0.000 0.281 170 C C 1.640 176.409 174.990 -0.369 0.000 1.191 170 C CA 1.108 59.809 59.018 -0.527 0.000 1.772 170 C CB -0.849 26.679 27.740 -0.354 0.000 2.013 170 C HN 0.883 nan 8.230 nan 0.000 0.437 171 S N -0.823 114.691 115.700 -0.310 0.000 2.671 171 S HA 0.734 5.203 4.470 -0.003 0.000 0.299 171 S C -1.156 173.294 174.600 -0.250 0.000 1.116 171 S CA -0.511 57.540 58.200 -0.248 0.000 0.912 171 S CB 1.916 64.983 63.200 -0.222 0.000 1.130 171 S HN 0.645 nan 8.310 nan 0.000 0.501 172 L N 1.900 122.984 121.223 -0.232 0.000 2.408 172 L HA 0.563 4.901 4.340 -0.003 0.000 0.260 172 L C -0.801 175.903 176.870 -0.278 0.000 1.305 172 L CA 0.583 55.266 54.840 -0.262 0.000 0.850 172 L CB 0.623 42.520 42.059 -0.269 0.000 1.004 172 L HN 1.147 nan 8.230 nan 0.000 0.506 173 S N 1.126 116.667 115.700 -0.265 0.000 2.685 173 S HA 0.911 5.380 4.470 -0.003 0.000 0.282 173 S C 0.474 174.916 174.600 -0.262 0.000 1.159 173 S CA -0.147 57.892 58.200 -0.269 0.000 0.833 173 S CB 1.707 64.824 63.200 -0.139 0.000 1.151 173 S HN 0.918 nan 8.310 nan 0.000 0.485 174 A N 0.084 122.773 122.820 -0.219 0.000 2.308 174 A HA 0.358 4.677 4.320 -0.003 0.000 0.217 174 A C 1.835 179.412 177.584 -0.013 0.000 1.216 174 A CA 0.244 52.233 52.037 -0.081 0.000 0.864 174 A CB -0.466 18.599 19.000 0.109 0.000 0.902 174 A HN 0.826 nan 8.150 nan 0.000 0.499 175 R N -0.868 119.636 120.500 0.006 0.000 2.146 175 R HA 0.213 4.551 4.340 -0.003 0.000 0.206 175 R C -0.119 176.266 176.300 0.142 0.000 1.049 175 R CA 1.127 57.277 56.100 0.082 0.000 1.029 175 R CB 0.304 30.669 30.300 0.109 0.000 0.949 175 R HN 0.345 nan 8.270 nan 0.000 0.471 176 S N -0.388 115.382 115.700 0.116 0.000 2.599 176 S HA 0.530 4.998 4.470 -0.003 0.000 0.294 176 S C -1.293 173.311 174.600 0.007 0.000 1.094 176 S CA -0.681 57.648 58.200 0.214 0.000 0.931 176 S CB 2.239 65.688 63.200 0.416 0.000 1.093 176 S HN 0.231 nan 8.310 nan 0.000 0.488 177 I N 1.733 122.300 120.570 -0.005 0.000 2.827 177 I HA 0.523 4.691 4.170 -0.003 0.000 0.298 177 I C -1.976 174.126 176.117 -0.026 0.000 1.235 177 I CA -1.034 60.239 61.300 -0.043 0.000 1.021 177 I CB 1.651 39.687 38.000 0.060 0.000 1.259 177 I HN 0.627 nan 8.210 nan 0.000 0.427 178 I N 6.515 127.046 120.570 -0.065 0.000 2.378 178 I HA 0.253 4.421 4.170 -0.003 0.000 0.291 178 I C -1.383 174.825 176.117 0.152 0.000 0.992 178 I CA -0.490 60.821 61.300 0.018 0.000 1.154 178 I CB 1.495 39.433 38.000 -0.104 0.000 1.315 178 I HN 0.370 nan 8.210 nan 0.000 0.448 179 Y N 6.699 127.060 120.300 0.101 0.000 2.854 179 Y HA 0.330 4.879 4.550 -0.003 0.000 0.330 179 Y C 0.175 176.355 175.900 0.468 0.000 1.037 179 Y CA -0.849 57.387 58.100 0.226 0.000 1.263 179 Y CB 0.511 39.025 38.460 0.090 0.000 1.120 179 Y HN 0.412 nan 8.280 nan 0.000 0.532 180 K N 0.914 121.637 120.400 0.538 0.000 2.295 180 K HA 0.989 5.308 4.320 -0.003 0.000 0.239 180 K C -0.373 176.575 176.600 0.581 0.000 0.991 180 K CA -1.037 55.503 56.287 0.422 0.000 0.845 180 K CB 2.676 35.266 32.500 0.151 0.000 1.197 180 K HN 0.562 nan 8.250 nan 0.000 0.441 181 G N 0.424 109.353 108.800 0.215 0.000 2.356 181 G HA2 0.296 4.255 3.960 -0.003 0.000 0.294 181 G HA3 0.296 4.255 3.960 -0.003 0.000 0.294 181 G C -1.466 172.798 174.900 -1.059 0.000 1.423 181 G CA -1.090 43.979 45.100 -0.051 0.000 0.806 181 G HN 0.505 nan 8.290 nan 0.000 0.527 182 M N 1.541 120.087 119.600 -1.756 0.000 3.709 182 M HA 0.460 4.938 4.480 -0.003 0.000 0.197 182 M C -0.925 174.800 176.300 -0.959 0.000 1.511 182 M CA -0.116 54.342 55.300 -1.405 0.000 1.688 182 M CB -1.345 30.262 32.600 -1.655 0.000 1.109 182 M HN 0.373 nan 8.290 nan 0.000 0.561 183 F N -1.384 118.203 119.950 -0.606 0.000 2.626 183 F HA 0.636 5.161 4.527 -0.003 0.000 0.311 183 F C -1.095 174.552 175.800 -0.255 0.000 1.088 183 F CA -2.113 55.639 58.000 -0.414 0.000 0.949 183 F CB 0.389 39.096 39.000 -0.489 0.000 1.322 183 F HN -0.273 nan 8.300 nan 0.000 0.461 184 L N 2.666 123.856 121.223 -0.055 0.000 2.640 184 L HA 0.141 4.479 4.340 -0.003 0.000 0.280 184 L C 1.609 178.518 176.870 0.065 0.000 1.229 184 L CA 0.812 55.628 54.840 -0.040 0.000 0.919 184 L CB -0.482 41.574 42.059 -0.006 0.000 1.168 184 L HN 1.020 nan 8.230 nan 0.000 0.496 185 A N 4.152 126.973 122.820 0.001 0.000 1.892 185 A HA -0.222 4.097 4.320 -0.003 0.000 0.218 185 A C 1.814 179.486 177.584 0.148 0.000 1.188 185 A CA 1.770 53.861 52.037 0.090 0.000 0.631 185 A CB -0.574 18.476 19.000 0.082 0.000 0.822 185 A HN 0.879 nan 8.150 nan 0.000 0.447 186 E N 0.046 120.317 120.200 0.118 0.000 2.273 186 E HA -0.222 4.126 4.350 -0.003 0.000 0.198 186 E C 0.724 177.368 176.600 0.074 0.000 1.002 186 E CA 1.197 57.648 56.400 0.084 0.000 0.828 186 E CB -0.281 29.429 29.700 0.017 0.000 0.747 186 E HN 0.734 nan 8.360 nan 0.000 0.491 187 Q N 0.588 120.460 119.800 0.120 0.000 2.225 187 Q HA 0.165 4.503 4.340 -0.003 0.000 0.259 187 Q C 1.458 177.511 176.000 0.088 0.000 0.872 187 Q CA -0.100 55.759 55.803 0.094 0.000 1.042 187 Q CB 0.660 29.447 28.738 0.082 0.000 1.142 187 Q HN 0.279 nan 8.270 nan 0.000 0.463 188 L N 0.034 121.360 121.223 0.173 0.000 2.027 188 L HA -0.082 4.257 4.340 -0.003 0.000 0.206 188 L C 2.136 178.973 176.870 -0.055 0.000 1.074 188 L CA 2.027 56.943 54.840 0.128 0.000 0.745 188 L CB -0.734 41.535 42.059 0.350 0.000 0.898 188 L HN 0.052 nan 8.230 nan 0.000 0.433 189 T N -1.103 113.454 114.554 0.005 0.000 2.833 189 T HA -0.152 4.196 4.350 -0.003 0.000 0.269 189 T C 1.665 176.347 174.700 -0.029 0.000 1.054 189 T CA 1.895 63.983 62.100 -0.020 0.000 1.135 189 T CB -0.306 68.545 68.868 -0.027 0.000 0.869 189 T HN 0.595 nan 8.240 nan 0.000 0.466 190 T N 0.812 115.345 114.554 -0.036 0.000 2.770 190 T HA 0.033 4.382 4.350 -0.003 0.000 0.263 190 T C 1.407 176.070 174.700 -0.062 0.000 1.039 190 T CA 0.807 62.884 62.100 -0.038 0.000 1.142 190 T CB -0.418 68.437 68.868 -0.021 0.000 0.868 190 T HN 0.464 nan 8.240 nan 0.000 0.435 191 F N 0.717 120.459 119.950 -0.346 0.000 2.502 191 F HA 0.130 4.655 4.527 -0.003 0.000 0.298 191 F C -0.376 175.239 175.800 -0.308 0.000 1.111 191 F CA 0.308 58.029 58.000 -0.464 0.000 1.445 191 F CB 0.211 38.617 39.000 -0.990 0.000 1.081 191 F HN 0.061 nan 8.300 nan 0.000 0.558 192 Y N 0.311 120.552 120.300 -0.099 0.000 2.400 192 Y HA 0.328 4.877 4.550 -0.002 0.000 0.335 192 Y C -2.055 173.778 175.900 -0.112 0.000 1.066 192 Y CA -3.564 54.501 58.100 -0.059 0.000 1.285 192 Y CB 0.781 39.314 38.460 0.122 0.000 1.103 192 Y HN -0.148 nan 8.280 nan 0.000 0.490 193 P HA -0.035 nan 4.420 nan 0.000 0.222 193 P C 0.915 178.148 177.300 -0.111 0.000 1.153 193 P CA 1.081 64.161 63.100 -0.034 0.000 0.798 193 P CB 0.676 32.370 31.700 -0.010 0.000 0.796 194 D N 0.134 120.455 120.400 -0.131 0.000 2.200 194 D HA -0.209 4.430 4.640 -0.003 0.000 0.192 194 D C 1.904 177.763 176.300 -0.735 0.000 1.008 194 D CA 1.148 54.965 54.000 -0.305 0.000 0.872 194 D CB -0.995 39.535 40.800 -0.449 0.000 0.923 194 D HN 0.200 nan 8.370 nan 0.000 0.447 195 L N -0.185 120.529 121.223 -0.848 0.000 2.127 195 L HA -0.144 4.195 4.340 -0.003 0.000 0.211 195 L C 2.292 178.900 176.870 -0.436 0.000 1.089 195 L CA 0.489 54.790 54.840 -0.898 0.000 0.757 195 L CB -0.230 41.485 42.059 -0.573 0.000 0.899 195 L HN 0.066 nan 8.230 nan 0.000 0.434 196 L N -0.646 120.429 121.223 -0.245 0.000 2.610 196 L HA -0.023 4.315 4.340 -0.003 0.000 0.232 196 L C 0.879 177.735 176.870 -0.023 0.000 1.149 196 L CA 0.078 54.854 54.840 -0.107 0.000 0.872 196 L CB -0.210 41.811 42.059 -0.063 0.000 0.992 196 L HN 0.188 nan 8.230 nan 0.000 0.447 197 D N 0.107 120.518 120.400 0.019 0.000 2.304 197 D HA -0.031 4.607 4.640 -0.003 0.000 0.250 197 D C 0.933 177.342 176.300 0.181 0.000 1.107 197 D CA -0.113 53.988 54.000 0.168 0.000 0.885 197 D CB 1.579 42.600 40.800 0.368 0.000 1.192 197 D HN 0.268 nan 8.370 nan 0.000 0.436 198 E N 3.083 123.366 120.200 0.138 0.000 2.265 198 E HA -0.159 4.189 4.350 -0.003 0.000 0.196 198 E C 1.592 178.265 176.600 0.122 0.000 0.996 198 E CA 0.924 57.390 56.400 0.109 0.000 0.832 198 E CB -0.169 29.573 29.700 0.070 0.000 0.756 198 E HN 0.392 nan 8.360 nan 0.000 0.491 199 R N -0.251 120.352 120.500 0.171 0.000 2.293 199 R HA 0.017 4.356 4.340 -0.003 0.000 0.219 199 R C -0.232 176.061 176.300 -0.011 0.000 1.091 199 R CA 0.320 56.491 56.100 0.118 0.000 1.004 199 R CB -0.282 30.148 30.300 0.217 0.000 0.865 199 R HN 0.143 nan 8.270 nan 0.000 0.469 200 F N 1.428 121.350 119.950 -0.047 0.000 2.434 200 F HA 0.128 4.654 4.527 -0.002 0.000 0.358 200 F C 0.396 176.147 175.800 -0.081 0.000 1.136 200 F CA 0.330 58.253 58.000 -0.129 0.000 1.157 200 F CB 0.468 39.321 39.000 -0.245 0.000 1.167 200 F HN -0.116 nan 8.300 nan 0.000 0.539 201 E N 1.331 121.531 120.200 0.000 0.000 2.369 201 E HA 0.712 5.061 4.350 -0.003 0.000 0.270 201 E C -1.198 175.389 176.600 -0.022 0.000 0.909 201 E CA -1.013 55.389 56.400 0.003 0.000 0.775 201 E CB 2.350 32.049 29.700 -0.001 0.000 1.270 201 E HN 0.363 nan 8.360 nan 0.000 0.445 202 S N 0.379 116.068 115.700 -0.019 0.000 2.578 202 S HA 0.055 4.524 4.470 -0.003 0.000 0.285 202 S C -0.935 173.671 174.600 0.010 0.000 1.126 202 S CA -0.649 57.525 58.200 -0.042 0.000 0.878 202 S CB 0.695 63.791 63.200 -0.174 0.000 1.091 202 S HN 0.675 nan 8.310 nan 0.000 0.450 203 D N 1.886 122.340 120.400 0.090 0.000 2.348 203 D HA 0.138 4.776 4.640 -0.003 0.000 0.216 203 D C 0.531 176.989 176.300 0.263 0.000 0.970 203 D CA 0.845 54.939 54.000 0.156 0.000 0.889 203 D CB -0.395 40.504 40.800 0.166 0.000 0.912 203 D HN 0.418 nan 8.370 nan 0.000 0.524 204 F N -1.270 118.709 119.950 0.049 0.000 2.711 204 F HA 0.774 5.299 4.527 -0.002 0.000 0.313 204 F C -1.831 174.022 175.800 0.088 0.000 1.141 204 F CA -1.737 56.302 58.000 0.064 0.000 0.941 204 F CB 1.153 40.168 39.000 0.024 0.000 1.349 204 F HN -0.034 nan 8.300 nan 0.000 0.464 205 A N 1.616 124.580 122.820 0.240 0.000 2.539 205 A HA 0.897 5.215 4.320 -0.003 0.000 0.296 205 A C -1.656 176.173 177.584 0.408 0.000 1.073 205 A CA -0.842 51.301 52.037 0.176 0.000 0.700 205 A CB 1.643 20.741 19.000 0.165 0.000 1.296 205 A HN 0.885 nan 8.150 nan 0.000 0.405 206 I N 2.431 123.233 120.570 0.386 0.000 2.590 206 I HA 0.261 4.429 4.170 -0.003 0.000 0.283 206 I C -1.220 175.142 176.117 0.408 0.000 1.154 206 I CA -0.427 61.090 61.300 0.361 0.000 1.067 206 I CB 1.345 39.479 38.000 0.223 0.000 1.243 206 I HN 0.798 nan 8.210 nan 0.000 0.451 207 Y N 3.390 123.798 120.300 0.180 0.000 2.565 207 Y HA 0.826 5.374 4.550 -0.003 0.000 0.325 207 Y C -0.099 175.926 175.900 0.209 0.000 1.221 207 Y CA -1.914 56.286 58.100 0.166 0.000 1.316 207 Y CB 0.555 39.087 38.460 0.120 0.000 1.404 207 Y HN 0.550 nan 8.280 nan 0.000 0.527 208 H N -0.656 118.496 119.070 0.137 0.000 3.179 208 H HA 0.230 4.784 4.556 -0.003 0.000 0.301 208 H C -1.681 173.644 175.328 -0.005 0.000 1.382 208 H CA -0.591 55.468 56.048 0.017 0.000 1.605 208 H CB 0.925 30.674 29.762 -0.021 0.000 2.343 208 H HN 0.884 nan 8.280 nan 0.000 0.372 209 Q N 4.159 123.959 119.800 0.001 0.000 2.180 209 Q HA 0.549 4.888 4.340 -0.003 0.000 0.241 209 Q C -0.700 175.243 176.000 -0.095 0.000 0.970 209 Q CA -0.794 55.014 55.803 0.007 0.000 0.919 209 Q CB 1.349 30.063 28.738 -0.040 0.000 1.222 209 Q HN 0.748 nan 8.270 nan 0.000 0.482 210 R N 0.855 121.358 120.500 0.005 0.000 2.764 210 R HA 0.405 4.744 4.340 -0.003 0.000 0.270 210 R C -1.820 174.503 176.300 0.039 0.000 1.014 210 R CA -0.679 55.466 56.100 0.076 0.000 0.904 210 R CB 0.854 31.324 30.300 0.283 0.000 1.236 210 R HN 0.671 nan 8.270 nan 0.000 0.466 211 Y N 0.157 120.427 120.300 -0.049 0.000 2.675 211 Y HA 0.673 5.221 4.550 -0.002 0.000 0.328 211 Y C -0.824 175.047 175.900 -0.049 0.000 1.092 211 Y CA 0.232 58.296 58.100 -0.060 0.000 1.190 211 Y CB 2.404 40.830 38.460 -0.058 0.000 1.350 211 Y HN 0.974 nan 8.280 nan 0.000 0.525 212 S N -1.713 114.199 115.700 0.353 0.000 2.595 212 S HA 0.191 4.660 4.470 -0.003 0.000 0.270 212 S C -0.575 174.144 174.600 0.197 0.000 1.145 212 S CA -0.465 57.855 58.200 0.200 0.000 0.825 212 S CB 0.836 64.080 63.200 0.073 0.000 1.107 212 S HN 0.722 nan 8.310 nan 0.000 0.461 213 T N -1.024 113.590 114.554 0.101 0.000 3.473 213 T HA 0.351 4.700 4.350 -0.003 0.000 0.247 213 T C 0.096 174.820 174.700 0.039 0.000 1.010 213 T CA -0.075 62.062 62.100 0.061 0.000 0.940 213 T CB -1.499 67.392 68.868 0.040 0.000 1.068 213 T HN 0.609 nan 8.240 nan 0.000 0.604 214 N N -1.267 117.437 118.700 0.007 0.000 2.853 214 N HA 0.362 5.100 4.740 -0.003 0.000 0.258 214 N C -0.211 175.176 175.510 -0.206 0.000 1.444 214 N CA -0.823 52.187 53.050 -0.068 0.000 0.837 214 N CB 1.860 40.355 38.487 0.013 0.000 1.489 214 N HN -0.116 nan 8.380 nan 0.000 0.529 215 T N -0.276 113.994 114.554 -0.474 0.000 2.955 215 T HA 0.285 4.633 4.350 -0.003 0.000 0.251 215 T C -0.442 173.936 174.700 -0.537 0.000 1.002 215 T CA 0.149 61.916 62.100 -0.555 0.000 0.970 215 T CB 0.084 68.536 68.868 -0.692 0.000 1.091 215 T HN 0.269 nan 8.240 nan 0.000 0.495 216 F N 3.436 123.372 119.950 -0.023 0.000 2.467 216 F HA 0.401 4.926 4.527 -0.002 0.000 0.362 216 F C -2.309 173.473 175.800 -0.031 0.000 1.090 216 F CA -3.137 54.854 58.000 -0.014 0.000 1.202 216 F CB -0.088 38.913 39.000 0.000 0.000 1.113 216 F HN -0.093 nan 8.300 nan 0.000 0.541 217 P HA 0.243 nan 4.420 nan 0.000 0.295 217 P C -0.440 176.906 177.300 0.076 0.000 1.397 217 P CA -0.495 62.611 63.100 0.010 0.000 0.903 217 P CB 1.388 33.050 31.700 -0.062 0.000 1.028 218 T N 2.483 117.072 114.554 0.058 0.000 2.845 218 T HA 0.165 4.513 4.350 -0.003 0.000 0.288 218 T C 0.371 175.132 174.700 0.102 0.000 0.980 218 T CA 0.038 62.211 62.100 0.122 0.000 1.071 218 T CB 0.399 69.313 68.868 0.076 0.000 0.941 218 T HN 0.280 nan 8.240 nan 0.000 0.487 219 W N 3.856 125.149 121.300 -0.011 0.000 2.441 219 W HA 0.129 4.787 4.660 -0.003 0.000 0.302 219 W C -0.871 175.683 176.519 0.059 0.000 1.191 219 W CA 0.530 57.898 57.345 0.040 0.000 1.327 219 W CB -1.902 27.568 29.460 0.018 0.000 1.128 219 W HN 0.624 nan 8.180 nan 0.000 0.522 220 P HA -0.190 nan 4.420 nan 0.000 0.216 220 P C 1.397 178.554 177.300 -0.238 0.000 1.153 220 P CA 1.706 64.481 63.100 -0.541 0.000 0.858 220 P CB -0.351 30.732 31.700 -1.029 0.000 0.789 221 L N -2.082 119.092 121.223 -0.080 0.000 2.642 221 L HA -0.018 4.321 4.340 -0.003 0.000 0.236 221 L C 1.254 178.045 176.870 -0.132 0.000 1.169 221 L CA -0.190 54.656 54.840 0.008 0.000 0.851 221 L CB -1.064 41.019 42.059 0.039 0.000 0.968 221 L HN -0.084 nan 8.230 nan 0.000 0.453 222 A N -0.027 122.668 122.820 -0.207 0.000 2.322 222 A HA 0.425 4.744 4.320 -0.003 0.000 0.269 222 A C 0.181 177.435 177.584 -0.550 0.000 1.094 222 A CA -0.320 51.525 52.037 -0.320 0.000 0.807 222 A CB 0.470 19.295 19.000 -0.292 0.000 1.047 222 A HN 0.273 nan 8.150 nan 0.000 0.487 223 Q N 0.565 119.935 119.800 -0.717 0.000 2.207 223 Q HA 0.388 4.726 4.340 -0.003 0.000 0.237 223 Q C -2.406 173.326 176.000 -0.446 0.000 0.998 223 Q CA -1.931 53.306 55.803 -0.943 0.000 0.951 223 Q CB 0.267 28.252 28.738 -1.255 0.000 1.213 223 Q HN 0.441 nan 8.270 nan 0.000 0.499 224 P HA 0.010 nan 4.420 nan 0.000 0.271 224 P C -0.873 176.257 177.300 -0.284 0.000 1.218 224 P CA 0.283 63.255 63.100 -0.213 0.000 0.780 224 P CB 0.363 32.120 31.700 0.095 0.000 0.901 225 F N 1.431 121.374 119.950 -0.012 0.000 2.239 225 F HA 0.256 4.781 4.527 -0.002 0.000 0.288 225 F C 2.304 178.116 175.800 0.019 0.000 1.225 225 F CA 0.058 58.056 58.000 -0.003 0.000 1.162 225 F CB -0.074 38.911 39.000 -0.024 0.000 1.484 225 F HN 0.240 nan 8.300 nan 0.000 0.512 226 R N -0.393 120.247 120.500 0.233 0.000 2.092 226 R HA -0.065 4.274 4.340 -0.003 0.000 0.231 226 R C 1.408 177.792 176.300 0.139 0.000 1.119 226 R CA 1.484 57.648 56.100 0.107 0.000 0.970 226 R CB -0.118 30.218 30.300 0.061 0.000 0.864 226 R HN 0.503 nan 8.270 nan 0.000 0.440 227 M N -1.007 118.618 119.600 0.042 0.000 2.393 227 M HA 0.208 4.686 4.480 -0.003 0.000 0.270 227 M C -0.292 175.872 176.300 -0.226 0.000 1.127 227 M CA 0.016 55.262 55.300 -0.090 0.000 1.104 227 M CB 0.481 32.927 32.600 -0.256 0.000 1.523 227 M HN -0.009 nan 8.290 nan 0.000 0.546 228 L N 0.563 121.687 121.223 -0.166 0.000 2.333 228 L HA 0.835 5.173 4.340 -0.003 0.000 0.269 228 L C -0.761 176.129 176.870 0.033 0.000 1.010 228 L CA -0.674 54.060 54.840 -0.175 0.000 0.818 228 L CB 1.924 43.893 42.059 -0.151 0.000 1.306 228 L HN 0.136 nan 8.230 nan 0.000 0.430 229 A N 1.805 124.648 122.820 0.039 0.000 2.427 229 A HA 0.580 4.899 4.320 -0.003 0.000 0.298 229 A C -1.610 176.123 177.584 0.248 0.000 1.036 229 A CA -0.448 51.674 52.037 0.141 0.000 0.701 229 A CB 0.850 19.935 19.000 0.142 0.000 1.250 229 A HN 0.840 nan 8.150 nan 0.000 0.412 230 H N 2.398 121.593 119.070 0.209 0.000 2.547 230 H HA 0.456 5.010 4.556 -0.002 0.000 0.342 230 H C -0.870 174.599 175.328 0.236 0.000 1.048 230 H CA -0.538 55.625 56.048 0.192 0.000 1.204 230 H CB 1.055 30.924 29.762 0.177 0.000 1.493 230 H HN 0.762 nan 8.280 nan 0.000 0.511 231 N N 3.911 122.874 118.700 0.438 0.000 2.419 231 N HA 0.447 5.185 4.740 -0.003 0.000 0.277 231 N C -0.225 175.413 175.510 0.213 0.000 1.006 231 N CA 0.532 53.675 53.050 0.156 0.000 0.923 231 N CB 1.387 39.911 38.487 0.062 0.000 1.140 231 N HN 1.005 nan 8.380 nan 0.000 0.488 232 G N 2.241 111.020 108.800 -0.035 0.000 2.250 232 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.196 232 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.196 232 G C -1.546 173.260 174.900 -0.156 0.000 1.308 232 G CA -0.561 44.557 45.100 0.030 0.000 1.207 232 G HN 0.664 nan 8.290 nan 0.000 0.505 233 E N -1.395 118.828 120.200 0.038 0.000 2.388 233 E HA 0.631 4.980 4.350 -0.003 0.000 0.281 233 E C -1.542 175.184 176.600 0.210 0.000 1.046 233 E CA -0.631 55.792 56.400 0.037 0.000 0.825 233 E CB 1.530 31.242 29.700 0.020 0.000 1.243 233 E HN 0.671 nan 8.360 nan 0.000 0.438 234 I N 4.652 125.346 120.570 0.206 0.000 2.464 234 I HA 0.210 4.379 4.170 -0.003 0.000 0.277 234 I C 0.948 177.124 176.117 0.098 0.000 1.040 234 I CA -0.350 61.077 61.300 0.212 0.000 1.153 234 I CB 0.823 39.014 38.000 0.318 0.000 1.274 234 I HN 0.621 nan 8.210 nan 0.000 0.469 235 N N 2.100 120.840 118.700 0.065 0.000 2.573 235 N HA -0.150 4.589 4.740 -0.003 0.000 0.187 235 N C 1.153 176.652 175.510 -0.017 0.000 1.107 235 N CA 0.608 53.670 53.050 0.020 0.000 0.918 235 N CB 0.165 38.669 38.487 0.029 0.000 0.966 235 N HN 0.416 nan 8.380 nan 0.000 0.448 236 T N -0.055 114.481 114.554 -0.029 0.000 3.186 236 T HA 0.133 4.482 4.350 -0.003 0.000 0.257 236 T C 1.380 175.954 174.700 -0.210 0.000 1.029 236 T CA -0.336 61.707 62.100 -0.094 0.000 0.916 236 T CB -0.092 68.736 68.868 -0.066 0.000 1.041 236 T HN 0.158 nan 8.240 nan 0.000 0.562 237 V N 2.000 121.816 119.914 -0.163 0.000 2.332 237 V HA -0.140 3.979 4.120 -0.003 0.000 0.248 237 V C 2.180 178.140 176.094 -0.223 0.000 1.055 237 V CA 1.951 64.125 62.300 -0.211 0.000 1.038 237 V CB -0.259 31.532 31.823 -0.052 0.000 0.651 237 V HN 0.561 nan 8.190 nan 0.000 0.450 238 K N 0.015 120.313 120.400 -0.169 0.000 2.442 238 K HA 0.013 4.331 4.320 -0.003 0.000 0.198 238 K C 2.018 178.478 176.600 -0.233 0.000 1.042 238 K CA 1.019 57.206 56.287 -0.167 0.000 0.958 238 K CB -0.451 31.968 32.500 -0.136 0.000 0.766 238 K HN 0.610 nan 8.250 nan 0.000 0.474 239 G N 2.198 110.843 108.800 -0.259 0.000 2.404 239 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.213 239 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.213 239 G C 1.329 176.054 174.900 -0.292 0.000 1.189 239 G CA 0.290 45.228 45.100 -0.270 0.000 0.796 239 G HN 0.165 nan 8.290 nan 0.000 0.532 240 N N 0.677 119.144 118.700 -0.390 0.000 2.036 240 N HA -0.137 4.602 4.740 -0.003 0.000 0.195 240 N C 2.318 177.693 175.510 -0.225 0.000 1.037 240 N CA 1.355 54.083 53.050 -0.536 0.000 0.855 240 N CB -0.917 36.590 38.487 -1.634 0.000 1.033 240 N HN 0.126 nan 8.380 nan 0.000 0.423 241 V N 2.413 122.192 119.914 -0.224 0.000 2.324 241 V HA -0.222 3.897 4.120 -0.003 0.000 0.250 241 V C 1.811 177.859 176.094 -0.077 0.000 1.060 241 V CA 1.541 63.808 62.300 -0.056 0.000 1.042 241 V CB -0.472 31.326 31.823 -0.041 0.000 0.650 241 V HN 0.428 nan 8.190 nan 0.000 0.450 242 N N -1.733 116.841 118.700 -0.210 0.000 2.354 242 N HA -0.151 4.588 4.740 -0.003 0.000 0.179 242 N C 1.753 177.090 175.510 -0.289 0.000 1.021 242 N CA 1.265 54.151 53.050 -0.273 0.000 0.887 242 N CB -0.182 38.079 38.487 -0.378 0.000 0.974 242 N HN 0.570 nan 8.380 nan 0.000 0.437 243 W N 1.734 122.953 121.300 -0.135 0.000 2.358 243 W HA -0.063 4.596 4.660 -0.003 0.000 0.303 243 W C 2.575 178.937 176.519 -0.262 0.000 1.208 243 W CA 0.261 57.446 57.345 -0.266 0.000 1.274 243 W CB -0.175 29.077 29.460 -0.346 0.000 1.138 243 W HN 0.019 nan 8.180 nan 0.000 0.515 244 M N 0.987 120.688 119.600 0.169 0.000 2.159 244 M HA -0.195 4.283 4.480 -0.003 0.000 0.263 244 M C 1.761 178.139 176.300 0.131 0.000 1.063 244 M CA 1.743 57.184 55.300 0.236 0.000 1.110 244 M CB -0.262 32.515 32.600 0.294 0.000 1.374 244 M HN -0.173 nan 8.290 nan 0.000 0.411 245 K N -0.404 120.026 120.400 0.050 0.000 2.444 245 K HA -0.174 4.145 4.320 -0.003 0.000 0.200 245 K C 1.472 178.082 176.600 0.017 0.000 1.045 245 K CA 1.112 57.406 56.287 0.012 0.000 0.934 245 K CB -0.311 32.157 32.500 -0.053 0.000 0.756 245 K HN 0.494 nan 8.250 nan 0.000 0.477 246 A N -0.397 122.449 122.820 0.044 0.000 2.026 246 A HA 0.074 4.392 4.320 -0.003 0.000 0.198 246 A C 1.413 179.054 177.584 0.094 0.000 1.390 246 A CA -0.088 51.969 52.037 0.033 0.000 0.915 246 A CB -0.314 18.713 19.000 0.045 0.000 0.974 246 A HN 0.226 nan 8.150 nan 0.000 0.477 247 H N 0.295 119.430 119.070 0.108 0.000 2.400 247 H HA -0.196 4.358 4.556 -0.003 0.000 0.295 247 H C 1.944 177.304 175.328 0.054 0.000 1.118 247 H CA 1.714 57.806 56.048 0.073 0.000 1.256 247 H CB 0.223 30.056 29.762 0.118 0.000 1.365 247 H HN 0.599 nan 8.280 nan 0.000 0.502 248 E N -0.495 119.824 120.200 0.199 0.000 2.072 248 E HA -0.129 4.219 4.350 -0.003 0.000 0.190 248 E C 2.186 178.840 176.600 0.090 0.000 0.982 248 E CA 0.928 57.407 56.400 0.131 0.000 0.803 248 E CB -0.053 29.711 29.700 0.107 0.000 0.755 248 E HN 0.237 nan 8.360 nan 0.000 0.453 249 T N 0.005 114.594 114.554 0.057 0.000 2.932 249 T HA -0.171 4.177 4.350 -0.003 0.000 0.269 249 T C 1.337 176.062 174.700 0.041 0.000 1.131 249 T CA 1.105 63.221 62.100 0.027 0.000 1.107 249 T CB 0.039 68.880 68.868 -0.044 0.000 0.824 249 T HN -0.018 nan 8.240 nan 0.000 0.552 250 R N -0.564 119.970 120.500 0.056 0.000 2.582 250 R HA 0.243 4.581 4.340 -0.003 0.000 0.285 250 R C 0.350 176.705 176.300 0.092 0.000 0.940 250 R CA -0.011 56.130 56.100 0.068 0.000 1.072 250 R CB -0.082 30.238 30.300 0.034 0.000 1.527 250 R HN 0.514 nan 8.270 nan 0.000 0.538 251 M N 1.083 120.746 119.600 0.105 0.000 2.269 251 M HA 0.340 4.818 4.480 -0.003 0.000 0.350 251 M C -0.498 175.899 176.300 0.161 0.000 1.429 251 M CA 0.761 56.139 55.300 0.130 0.000 1.063 251 M CB 0.530 33.213 32.600 0.138 0.000 1.841 251 M HN -0.259 nan 8.290 nan 0.000 0.455 252 E N 1.604 121.911 120.200 0.179 0.000 2.347 252 E HA 0.421 4.769 4.350 -0.003 0.000 0.285 252 E C -1.768 174.967 176.600 0.224 0.000 0.925 252 E CA -0.402 56.117 56.400 0.198 0.000 0.779 252 E CB 1.421 31.201 29.700 0.133 0.000 1.233 252 E HN 0.732 nan 8.360 nan 0.000 0.414 253 H N 4.090 123.218 119.070 0.097 0.000 3.008 253 H HA 0.428 4.982 4.556 -0.003 0.000 0.354 253 H C -2.331 172.956 175.328 -0.068 0.000 1.252 253 H CA -1.894 54.136 56.048 -0.029 0.000 1.117 253 H CB 2.307 31.993 29.762 -0.128 0.000 1.857 253 H HN 0.394 nan 8.280 nan 0.000 0.547 254 P HA 0.054 nan 4.420 nan 0.000 0.230 254 P C 0.885 178.281 177.300 0.160 0.000 1.168 254 P CA 1.084 64.268 63.100 0.139 0.000 0.793 254 P CB 0.203 31.881 31.700 -0.036 0.000 0.851 255 A N -0.154 122.755 122.820 0.148 0.000 2.019 255 A HA -0.116 4.203 4.320 -0.003 0.000 0.219 255 A C 1.516 179.040 177.584 -0.101 0.000 1.164 255 A CA 1.093 53.029 52.037 -0.169 0.000 0.644 255 A CB -1.464 17.229 19.000 -0.511 0.000 0.805 255 A HN 0.112 nan 8.150 nan 0.000 0.449 256 F N -0.415 119.636 119.950 0.168 0.000 2.765 256 F HA 0.368 4.894 4.527 -0.003 0.000 0.302 256 F C 1.916 177.833 175.800 0.195 0.000 1.111 256 F CA -0.286 57.841 58.000 0.211 0.000 1.359 256 F CB -1.073 38.048 39.000 0.202 0.000 1.097 256 F HN 0.372 nan 8.300 nan 0.000 0.577 257 G N 1.128 110.069 108.800 0.233 0.000 2.634 257 G HA2 -0.414 3.545 3.960 -0.003 0.000 0.309 257 G HA3 -0.414 3.545 3.960 -0.003 0.000 0.309 257 G C 1.183 176.127 174.900 0.073 0.000 1.265 257 G CA 1.016 46.184 45.100 0.115 0.000 0.998 257 G HN 0.300 nan 8.290 nan 0.000 0.551 258 T N -1.411 113.083 114.554 -0.099 0.000 3.160 258 T HA 0.157 4.505 4.350 -0.003 0.000 0.257 258 T C 1.602 176.256 174.700 -0.077 0.000 1.147 258 T CA 1.754 63.788 62.100 -0.111 0.000 1.064 258 T CB -0.200 68.548 68.868 -0.200 0.000 0.949 258 T HN 0.683 nan 8.240 nan 0.000 0.526 259 H N 0.274 119.455 119.070 0.184 0.000 2.462 259 H HA 0.167 4.721 4.556 -0.003 0.000 0.292 259 H C 2.239 177.641 175.328 0.124 0.000 1.049 259 H CA 0.834 56.981 56.048 0.166 0.000 1.334 259 H CB -0.219 29.669 29.762 0.210 0.000 1.404 259 H HN 0.131 nan 8.280 nan 0.000 0.544 260 M N 0.890 120.651 119.600 0.269 0.000 2.345 260 M HA -0.381 4.097 4.480 -0.003 0.000 0.253 260 M C 2.039 178.405 176.300 0.110 0.000 1.068 260 M CA 1.872 57.284 55.300 0.188 0.000 1.069 260 M CB -0.190 32.542 32.600 0.220 0.000 1.292 260 M HN 0.139 nan 8.290 nan 0.000 0.430 261 Q N -0.006 119.860 119.800 0.110 0.000 2.248 261 Q HA -0.177 4.162 4.340 -0.003 0.000 0.208 261 Q C 1.402 177.434 176.000 0.053 0.000 0.984 261 Q CA 1.873 57.722 55.803 0.076 0.000 0.875 261 Q CB -0.339 28.440 28.738 0.069 0.000 0.910 261 Q HN 0.618 nan 8.270 nan 0.000 0.433 262 D N -1.141 119.297 120.400 0.063 0.000 2.317 262 D HA -0.062 4.576 4.640 -0.003 0.000 0.211 262 D C 1.083 177.360 176.300 -0.039 0.000 0.966 262 D CA 0.259 54.269 54.000 0.016 0.000 0.876 262 D CB 0.131 40.945 40.800 0.023 0.000 0.927 262 D HN 0.176 nan 8.370 nan 0.000 0.519 263 L N 0.438 121.641 121.223 -0.034 0.000 2.376 263 L HA 0.011 4.350 4.340 -0.003 0.000 0.219 263 L C 0.561 177.405 176.870 -0.044 0.000 1.133 263 L CA 1.253 56.036 54.840 -0.095 0.000 0.816 263 L CB -0.121 41.843 42.059 -0.158 0.000 0.933 263 L HN -0.155 nan 8.230 nan 0.000 0.449 264 K N -0.681 119.715 120.400 -0.006 0.000 2.208 264 K HA 0.485 4.804 4.320 -0.003 0.000 0.247 264 K C -2.350 174.256 176.600 0.010 0.000 0.953 264 K CA -1.962 54.335 56.287 0.016 0.000 0.837 264 K CB 0.781 33.302 32.500 0.035 0.000 1.131 264 K HN -0.253 nan 8.250 nan 0.000 0.431 265 P HA 0.036 nan 4.420 nan 0.000 0.276 265 P C 0.545 177.864 177.300 0.031 0.000 1.235 265 P CA -0.384 62.734 63.100 0.029 0.000 0.772 265 P CB 0.794 32.510 31.700 0.027 0.000 0.871 266 V N 3.507 123.450 119.914 0.048 0.000 2.982 266 V HA -0.130 3.988 4.120 -0.003 0.000 0.265 266 V C 1.064 177.188 176.094 0.051 0.000 1.122 266 V CA 1.402 63.732 62.300 0.050 0.000 1.143 266 V CB -0.872 30.994 31.823 0.071 0.000 0.726 266 V HN 0.500 nan 8.190 nan 0.000 0.507 267 I N 0.899 121.504 120.570 0.058 0.000 2.464 267 I HA 0.458 4.626 4.170 -0.003 0.000 0.277 267 I C 0.747 176.888 176.117 0.040 0.000 1.040 267 I CA -0.147 61.187 61.300 0.056 0.000 1.153 267 I CB 0.933 38.988 38.000 0.091 0.000 1.274 267 I HN 0.146 nan 8.210 nan 0.000 0.469 268 G N 4.285 113.104 108.800 0.031 0.000 2.599 268 G HA2 0.361 4.320 3.960 -0.003 0.000 0.264 268 G HA3 0.361 4.320 3.960 -0.003 0.000 0.264 268 G C 0.040 174.959 174.900 0.032 0.000 1.200 268 G CA -0.373 44.746 45.100 0.032 0.000 0.896 268 G HN 0.452 nan 8.290 nan 0.000 0.536 269 V N 0.399 120.332 119.914 0.030 0.000 2.999 269 V HA 0.489 4.607 4.120 -0.003 0.000 0.307 269 V C 1.408 177.522 176.094 0.032 0.000 1.084 269 V CA 1.267 63.583 62.300 0.027 0.000 1.155 269 V CB 0.760 32.596 31.823 0.022 0.000 0.975 269 V HN 2.410 nan 8.190 nan 0.000 0.490 270 G N 3.613 112.429 108.800 0.027 0.000 2.157 270 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.248 270 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.248 270 G C -0.183 174.734 174.900 0.028 0.000 0.979 270 G CA 0.260 45.377 45.100 0.028 0.000 0.650 270 G HN 1.022 nan 8.290 nan 0.000 0.529 271 L N 1.529 122.766 121.223 0.022 0.000 2.375 271 L HA 0.616 4.955 4.340 -0.003 0.000 0.271 271 L C 1.429 178.314 176.870 0.023 0.000 1.107 271 L CA -0.056 54.789 54.840 0.007 0.000 0.806 271 L CB 1.476 43.517 42.059 -0.030 0.000 1.146 271 L HN 0.398 nan 8.230 nan 0.000 0.447 272 S N -0.159 115.565 115.700 0.040 0.000 2.645 272 S HA 0.067 4.535 4.470 -0.003 0.000 0.266 272 S C 0.852 175.488 174.600 0.061 0.000 1.258 272 S CA -0.231 58.014 58.200 0.075 0.000 0.990 272 S CB 1.003 64.290 63.200 0.146 0.000 0.967 272 S HN 0.738 nan 8.310 nan 0.000 0.556 273 D N 1.758 122.213 120.400 0.092 0.000 2.104 273 D HA -0.145 4.494 4.640 -0.003 0.000 0.194 273 D C 1.828 178.234 176.300 0.175 0.000 0.994 273 D CA 1.926 56.009 54.000 0.139 0.000 0.830 273 D CB -1.295 39.593 40.800 0.148 0.000 0.959 273 D HN 0.486 nan 8.370 nan 0.000 0.452 274 S N 0.468 116.286 115.700 0.196 0.000 2.382 274 S HA 0.002 4.470 4.470 -0.003 0.000 0.228 274 S C 2.209 176.733 174.600 -0.127 0.000 1.027 274 S CA 1.065 59.415 58.200 0.250 0.000 0.991 274 S CB -0.817 62.636 63.200 0.421 0.000 0.823 274 S HN 0.606 nan 8.310 nan 0.000 0.469 275 G N 1.662 110.208 108.800 -0.422 0.000 2.446 275 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.217 275 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.217 275 G C 1.532 176.123 174.900 -0.515 0.000 1.168 275 G CA 1.215 45.589 45.100 -1.209 0.000 0.771 275 G HN 0.547 nan 8.290 nan 0.000 0.551 276 S N 0.246 115.845 115.700 -0.169 0.000 2.399 276 S HA -0.073 4.396 4.470 -0.003 0.000 0.231 276 S C 2.127 176.693 174.600 -0.056 0.000 1.022 276 S CA 0.971 59.162 58.200 -0.015 0.000 0.983 276 S CB -0.202 63.106 63.200 0.179 0.000 0.803 276 S HN 0.258 nan 8.310 nan 0.000 0.480 277 L N 2.357 123.533 121.223 -0.079 0.000 1.994 277 L HA -0.112 4.227 4.340 -0.003 0.000 0.208 277 L C 1.990 178.704 176.870 -0.259 0.000 1.071 277 L CA 2.030 56.694 54.840 -0.295 0.000 0.745 277 L CB -0.826 41.162 42.059 -0.117 0.000 0.892 277 L HN 0.154 nan 8.230 nan 0.000 0.431 278 D N -1.700 118.569 120.400 -0.217 0.000 2.158 278 D HA -0.228 4.411 4.640 -0.003 0.000 0.197 278 D C 2.018 178.250 176.300 -0.114 0.000 0.995 278 D CA 1.679 55.568 54.000 -0.185 0.000 0.846 278 D CB -0.049 40.624 40.800 -0.212 0.000 0.941 278 D HN 0.367 nan 8.370 nan 0.000 0.456 279 T N -1.186 113.283 114.554 -0.142 0.000 2.720 279 T HA -0.123 4.226 4.350 -0.003 0.000 0.268 279 T C 1.863 176.543 174.700 -0.033 0.000 1.037 279 T CA 1.301 63.366 62.100 -0.060 0.000 1.144 279 T CB -0.162 68.677 68.868 -0.049 0.000 0.864 279 T HN -0.005 nan 8.240 nan 0.000 0.444 280 V N 0.402 120.254 119.914 -0.104 0.000 2.379 280 V HA 0.015 4.133 4.120 -0.003 0.000 0.243 280 V C 1.908 177.962 176.094 -0.066 0.000 1.035 280 V CA 1.196 63.432 62.300 -0.107 0.000 1.035 280 V CB -0.704 30.976 31.823 -0.238 0.000 0.673 280 V HN 0.418 nan 8.190 nan 0.000 0.457 281 F N 1.320 121.102 119.950 -0.279 0.000 2.085 281 F HA -0.285 4.241 4.527 -0.002 0.000 0.299 281 F C 2.469 178.168 175.800 -0.168 0.000 1.096 281 F CA 2.422 60.285 58.000 -0.227 0.000 1.227 281 F CB -0.237 38.631 39.000 -0.219 0.000 0.983 281 F HN 0.208 nan 8.300 nan 0.000 0.482 282 E N -0.266 120.045 120.200 0.185 0.000 2.038 282 E HA -0.212 4.137 4.350 -0.003 0.000 0.195 282 E C 2.244 178.762 176.600 -0.137 0.000 1.000 282 E CA 1.992 58.410 56.400 0.029 0.000 0.803 282 E CB -0.262 29.435 29.700 -0.004 0.000 0.750 282 E HN 0.326 nan 8.360 nan 0.000 0.448 283 V N 1.237 121.087 119.914 -0.106 0.000 2.295 283 V HA -0.320 3.799 4.120 -0.003 0.000 0.246 283 V C 2.475 178.542 176.094 -0.045 0.000 1.049 283 V CA 1.863 64.090 62.300 -0.122 0.000 1.024 283 V CB -0.550 31.270 31.823 -0.005 0.000 0.648 283 V HN 0.333 nan 8.190 nan 0.000 0.447 284 M N -0.076 119.484 119.600 -0.067 0.000 2.082 284 M HA -0.194 4.284 4.480 -0.003 0.000 0.258 284 M C 2.304 178.533 176.300 -0.118 0.000 1.071 284 M CA 2.032 57.275 55.300 -0.094 0.000 1.103 284 M CB -0.799 31.699 32.600 -0.171 0.000 1.307 284 M HN 0.285 nan 8.290 nan 0.000 0.409 285 V N -0.002 119.825 119.914 -0.147 0.000 2.324 285 V HA -0.259 3.860 4.120 -0.003 0.000 0.250 285 V C 2.388 178.424 176.094 -0.097 0.000 1.060 285 V CA 1.655 63.889 62.300 -0.110 0.000 1.042 285 V CB -0.948 30.855 31.823 -0.034 0.000 0.650 285 V HN 0.402 nan 8.190 nan 0.000 0.450 286 R N 0.357 120.775 120.500 -0.136 0.000 2.249 286 R HA -0.009 4.330 4.340 -0.003 0.000 0.230 286 R C 1.886 178.131 176.300 -0.092 0.000 1.121 286 R CA 1.205 57.230 56.100 -0.125 0.000 0.997 286 R CB -1.083 29.030 30.300 -0.312 0.000 0.867 286 R HN 0.582 nan 8.270 nan 0.000 0.465 287 A N -1.563 121.171 122.820 -0.143 0.000 2.345 287 A HA 0.435 4.754 4.320 -0.003 0.000 0.225 287 A C 1.218 178.616 177.584 -0.310 0.000 1.243 287 A CA 0.720 52.469 52.037 -0.479 0.000 0.875 287 A CB 0.223 18.834 19.000 -0.647 0.000 0.929 287 A HN 0.351 nan 8.150 nan 0.000 0.502 288 G N -0.790 107.932 108.800 -0.130 0.000 2.617 288 G HA2 -0.141 3.818 3.960 -0.003 0.000 0.197 288 G HA3 -0.141 3.818 3.960 -0.003 0.000 0.197 288 G C 0.382 175.273 174.900 -0.015 0.000 1.017 288 G CA -0.416 44.664 45.100 -0.033 0.000 0.713 288 G HN 0.405 nan 8.290 nan 0.000 0.481 289 R N 1.774 122.247 120.500 -0.045 0.000 2.438 289 R HA 0.480 4.819 4.340 -0.003 0.000 0.287 289 R C 0.534 176.771 176.300 -0.105 0.000 1.077 289 R CA 0.162 56.223 56.100 -0.066 0.000 1.034 289 R CB 0.536 30.779 30.300 -0.094 0.000 0.993 289 R HN 0.226 nan 8.270 nan 0.000 0.459 290 T N 1.588 116.075 114.554 -0.112 0.000 2.649 290 T HA -0.054 4.295 4.350 -0.003 0.000 0.337 290 T C 1.596 176.134 174.700 -0.269 0.000 1.070 290 T CA 0.413 62.412 62.100 -0.169 0.000 1.052 290 T CB 0.628 69.298 68.868 -0.330 0.000 0.994 290 T HN 0.744 nan 8.240 nan 0.000 0.544 291 A N 1.869 124.513 122.820 -0.293 0.000 1.841 291 A HA 0.049 4.368 4.320 -0.003 0.000 0.214 291 A C -0.203 177.160 177.584 -0.367 0.000 1.195 291 A CA 1.070 52.972 52.037 -0.225 0.000 0.611 291 A CB -1.784 17.173 19.000 -0.072 0.000 0.835 291 A HN 0.607 nan 8.150 nan 0.000 0.443 292 P HA -0.186 nan 4.420 nan 0.000 0.216 292 P C 1.755 178.811 177.300 -0.406 0.000 1.153 292 P CA 1.283 64.080 63.100 -0.505 0.000 0.858 292 P CB -0.188 31.055 31.700 -0.762 0.000 0.789 293 M N -1.168 118.196 119.600 -0.392 0.000 2.149 293 M HA -0.125 4.353 4.480 -0.003 0.000 0.261 293 M C 1.874 177.991 176.300 -0.305 0.000 1.064 293 M CA 1.652 56.783 55.300 -0.282 0.000 1.102 293 M CB -1.082 31.408 32.600 -0.184 0.000 1.369 293 M HN -0.134 nan 8.290 nan 0.000 0.408 294 V N -0.224 119.437 119.914 -0.422 0.000 2.407 294 V HA -0.205 3.914 4.120 -0.003 0.000 0.245 294 V C 2.494 178.304 176.094 -0.473 0.000 1.041 294 V CA 1.220 63.180 62.300 -0.566 0.000 1.040 294 V CB -0.708 30.503 31.823 -1.021 0.000 0.671 294 V HN 0.375 nan 8.190 nan 0.000 0.455 295 K N 0.255 120.438 120.400 -0.362 0.000 2.059 295 K HA -0.223 4.095 4.320 -0.003 0.000 0.212 295 K C 2.098 178.602 176.600 -0.160 0.000 1.050 295 K CA 2.119 58.313 56.287 -0.156 0.000 0.927 295 K CB -0.426 32.015 32.500 -0.098 0.000 0.714 295 K HN 0.376 nan 8.250 nan 0.000 0.447 296 M N -0.037 119.447 119.600 -0.194 0.000 2.066 296 M HA -0.164 4.315 4.480 -0.003 0.000 0.259 296 M C 2.427 178.635 176.300 -0.154 0.000 1.074 296 M CA 1.728 56.928 55.300 -0.168 0.000 1.114 296 M CB -0.480 32.001 32.600 -0.198 0.000 1.306 296 M HN 0.129 nan 8.290 nan 0.000 0.411 297 M N -0.115 119.376 119.600 -0.181 0.000 2.260 297 M HA -0.213 4.266 4.480 -0.003 0.000 0.261 297 M C 1.748 177.984 176.300 -0.106 0.000 1.066 297 M CA 1.423 56.630 55.300 -0.156 0.000 1.082 297 M CB -0.615 31.885 32.600 -0.166 0.000 1.388 297 M HN 0.329 nan 8.290 nan 0.000 0.419 298 L N -1.756 119.395 121.223 -0.121 0.000 2.537 298 L HA 0.161 4.499 4.340 -0.003 0.000 0.224 298 L C 0.572 177.482 176.870 0.066 0.000 1.065 298 L CA -0.095 54.720 54.840 -0.041 0.000 0.860 298 L CB 0.756 42.668 42.059 -0.244 0.000 1.086 298 L HN -0.080 nan 8.230 nan 0.000 0.482 299 V N 1.410 121.327 119.914 0.005 0.000 2.462 299 V HA 0.293 4.411 4.120 -0.003 0.000 0.257 299 V C -2.460 173.627 176.094 -0.011 0.000 0.944 299 V CA -1.071 61.248 62.300 0.032 0.000 0.903 299 V CB 1.263 33.096 31.823 0.016 0.000 1.128 299 V HN -0.026 nan 8.190 nan 0.000 0.486 300 P HA 0.290 nan 4.420 nan 0.000 0.276 300 P C -0.602 176.685 177.300 -0.023 0.000 1.252 300 P CA -0.306 62.770 63.100 -0.040 0.000 0.802 300 P CB 0.602 32.281 31.700 -0.036 0.000 1.035 301 Q N 0.714 120.497 119.800 -0.030 0.000 2.199 301 Q HA 0.668 5.007 4.340 -0.003 0.000 0.232 301 Q C -0.739 175.259 176.000 -0.003 0.000 0.969 301 Q CA -1.178 54.619 55.803 -0.011 0.000 0.925 301 Q CB 0.694 29.425 28.738 -0.010 0.000 1.198 301 Q HN 0.373 nan 8.270 nan 0.000 0.494 302 A N 1.467 124.292 122.820 0.008 0.000 2.409 302 A HA 0.248 4.567 4.320 -0.003 0.000 0.262 302 A C -0.280 177.310 177.584 0.011 0.000 1.113 302 A CA -0.603 51.439 52.037 0.009 0.000 0.790 302 A CB 0.169 19.177 19.000 0.013 0.000 1.046 302 A HN 0.638 nan 8.150 nan 0.000 0.496 303 L N 3.817 125.044 121.223 0.007 0.000 2.437 303 L HA 0.190 4.529 4.340 -0.003 0.000 0.243 303 L C 0.553 177.428 176.870 0.008 0.000 1.346 303 L CA 0.533 55.379 54.840 0.010 0.000 1.233 303 L CB -1.236 40.827 42.059 0.006 0.000 1.436 303 L HN 0.664 nan 8.230 nan 0.000 0.416 304 T N 0.926 115.485 114.554 0.009 0.000 2.928 304 T HA -0.030 4.318 4.350 -0.003 0.000 0.305 304 T C 0.700 175.397 174.700 -0.004 0.000 1.035 304 T CA 0.173 62.273 62.100 0.001 0.000 1.145 304 T CB 0.532 69.399 68.868 -0.002 0.000 0.963 304 T HN 0.559 nan 8.240 nan 0.000 0.545 305 S N 3.477 119.173 115.700 -0.006 0.000 3.072 305 S HA 0.414 4.882 4.470 -0.003 0.000 0.306 305 S C 0.051 174.639 174.600 -0.021 0.000 1.207 305 S CA -0.686 57.511 58.200 -0.006 0.000 1.008 305 S CB -0.976 62.224 63.200 0.001 0.000 1.390 305 S HN 0.822 nan 8.310 nan 0.000 0.523 306 S N 3.825 119.505 115.700 -0.032 0.000 2.625 306 S HA 0.390 4.858 4.470 -0.003 0.000 0.271 306 S C 0.457 175.012 174.600 -0.074 0.000 1.161 306 S CA -0.884 57.279 58.200 -0.063 0.000 0.820 306 S CB 1.035 64.178 63.200 -0.095 0.000 1.137 306 S HN 0.415 nan 8.310 nan 0.000 0.470 307 Q N 1.002 120.740 119.800 -0.103 0.000 2.291 307 Q HA -0.094 4.245 4.340 -0.003 0.000 0.206 307 Q C 2.138 178.066 176.000 -0.121 0.000 0.976 307 Q CA 2.049 57.790 55.803 -0.104 0.000 0.875 307 Q CB -0.794 27.875 28.738 -0.115 0.000 0.927 307 Q HN 1.028 nan 8.270 nan 0.000 0.450 308 T N -2.176 112.273 114.554 -0.174 0.000 2.869 308 T HA -0.086 4.262 4.350 -0.003 0.000 0.270 308 T C 0.918 175.603 174.700 -0.026 0.000 1.082 308 T CA 0.991 63.005 62.100 -0.144 0.000 1.123 308 T CB -0.179 68.602 68.868 -0.145 0.000 0.856 308 T HN -0.020 nan 8.240 nan 0.000 0.499 309 T N 3.802 118.333 114.554 -0.038 0.000 2.772 309 T HA 0.506 4.855 4.350 -0.003 0.000 0.288 309 T C -2.605 172.042 174.700 -0.089 0.000 0.994 309 T CA -1.331 60.753 62.100 -0.026 0.000 0.951 309 T CB 1.643 70.516 68.868 0.008 0.000 0.933 309 T HN 0.106 nan 8.240 nan 0.000 0.447 310 P HA 0.079 nan 4.420 nan 0.000 0.271 310 P C 0.091 177.289 177.300 -0.170 0.000 1.228 310 P CA 0.008 62.954 63.100 -0.256 0.000 0.797 310 P CB 0.581 31.933 31.700 -0.581 0.000 0.914 311 D N -0.885 119.455 120.400 -0.099 0.000 2.305 311 D HA -0.096 4.542 4.640 -0.003 0.000 0.206 311 D C 1.471 177.788 176.300 0.028 0.000 0.974 311 D CA 0.590 54.577 54.000 -0.022 0.000 0.871 311 D CB -0.296 40.502 40.800 -0.003 0.000 0.947 311 D HN 0.360 nan 8.370 nan 0.000 0.516 312 N N 1.256 119.973 118.700 0.028 0.000 2.006 312 N HA -0.244 4.495 4.740 -0.003 0.000 0.196 312 N C 1.523 177.163 175.510 0.217 0.000 1.057 312 N CA 1.490 54.629 53.050 0.148 0.000 0.853 312 N CB -1.225 37.378 38.487 0.194 0.000 1.051 312 N HN 0.435 nan 8.380 nan 0.000 0.423 313 H N 0.978 120.061 119.070 0.023 0.000 2.272 313 H HA -0.144 4.410 4.556 -0.003 0.000 0.289 313 H C 2.039 177.346 175.328 -0.035 0.000 1.100 313 H CA 1.706 57.742 56.048 -0.020 0.000 1.209 313 H CB -0.122 29.635 29.762 -0.007 0.000 1.348 313 H HN 0.318 nan 8.280 nan 0.000 0.481 314 K N 0.509 120.989 120.400 0.133 0.000 2.113 314 K HA -0.186 4.132 4.320 -0.003 0.000 0.208 314 K C 2.559 179.197 176.600 0.065 0.000 1.047 314 K CA 0.933 57.263 56.287 0.072 0.000 0.928 314 K CB -0.147 32.385 32.500 0.055 0.000 0.716 314 K HN 0.270 nan 8.250 nan 0.000 0.446 315 A N 1.637 124.511 122.820 0.090 0.000 1.841 315 A HA -0.200 4.119 4.320 -0.003 0.000 0.216 315 A C 2.046 179.666 177.584 0.060 0.000 1.199 315 A CA 1.313 53.431 52.037 0.133 0.000 0.621 315 A CB -0.805 18.329 19.000 0.223 0.000 0.835 315 A HN 0.223 nan 8.150 nan 0.000 0.445 316 L N 0.595 121.735 121.223 -0.138 0.000 1.963 316 L HA -0.232 4.107 4.340 -0.003 0.000 0.220 316 L C 2.387 179.110 176.870 -0.245 0.000 1.076 316 L CA 2.207 56.709 54.840 -0.564 0.000 0.772 316 L CB -1.099 40.586 42.059 -0.624 0.000 0.892 316 L HN 0.524 nan 8.230 nan 0.000 0.435 317 I N -0.800 119.685 120.570 -0.143 0.000 2.091 317 I HA -0.443 3.725 4.170 -0.003 0.000 0.240 317 I C 2.588 178.679 176.117 -0.044 0.000 1.046 317 I CA 1.958 63.206 61.300 -0.087 0.000 1.306 317 I CB -0.741 37.235 38.000 -0.039 0.000 1.018 317 I HN 0.469 nan 8.210 nan 0.000 0.404 318 Q N -0.406 119.400 119.800 0.011 0.000 2.197 318 Q HA -0.277 4.061 4.340 -0.003 0.000 0.207 318 Q C 2.152 178.197 176.000 0.075 0.000 0.984 318 Q CA 2.129 57.961 55.803 0.049 0.000 0.869 318 Q CB -0.330 28.470 28.738 0.104 0.000 0.906 318 Q HN 0.569 nan 8.270 nan 0.000 0.426 319 Y N 0.473 120.757 120.300 -0.025 0.000 2.070 319 Y HA -0.311 4.238 4.550 -0.003 0.000 0.279 319 Y C 2.340 178.220 175.900 -0.032 0.000 1.134 319 Y CA 1.418 59.529 58.100 0.019 0.000 1.113 319 Y CB -0.876 37.536 38.460 -0.080 0.000 0.981 319 Y HN 0.146 nan 8.280 nan 0.000 0.487 320 C N 1.600 120.737 119.300 -0.271 0.000 2.359 320 C HA -0.292 4.167 4.460 -0.003 0.000 0.277 320 C C 2.522 177.343 174.990 -0.282 0.000 1.192 320 C CA 1.603 60.405 59.018 -0.361 0.000 1.759 320 C CB -1.632 25.993 27.740 -0.192 0.000 2.038 320 C HN 0.662 nan 8.230 nan 0.000 0.448 321 N N 1.478 120.085 118.700 -0.155 0.000 2.314 321 N HA -0.155 4.584 4.740 -0.003 0.000 0.191 321 N C 1.692 177.130 175.510 -0.120 0.000 1.007 321 N CA 2.008 54.995 53.050 -0.104 0.000 0.883 321 N CB -0.364 38.086 38.487 -0.062 0.000 0.969 321 N HN 0.721 nan 8.380 nan 0.000 0.441 322 S N -0.372 115.235 115.700 -0.156 0.000 2.458 322 S HA 0.071 4.540 4.470 -0.003 0.000 0.223 322 S C 2.179 176.668 174.600 -0.185 0.000 1.019 322 S CA 0.119 58.238 58.200 -0.135 0.000 0.937 322 S CB -0.093 63.064 63.200 -0.072 0.000 0.788 322 S HN 0.013 nan 8.310 nan 0.000 0.511 323 V N 0.841 120.572 119.914 -0.305 0.000 2.331 323 V HA 0.275 4.394 4.120 -0.003 0.000 0.242 323 V C 0.694 176.656 176.094 -0.222 0.000 1.034 323 V CA 1.173 63.298 62.300 -0.292 0.000 1.027 323 V CB -0.241 31.330 31.823 -0.420 0.000 0.667 323 V HN 0.489 nan 8.190 nan 0.000 0.457 324 M N 0.274 119.766 119.600 -0.180 0.000 2.395 324 M HA 0.494 4.972 4.480 -0.003 0.000 0.307 324 M C -1.267 175.047 176.300 0.024 0.000 1.091 324 M CA -0.742 54.517 55.300 -0.069 0.000 0.919 324 M CB 1.769 34.328 32.600 -0.070 0.000 1.662 324 M HN 0.140 nan 8.290 nan 0.000 0.440 325 E N 5.330 125.591 120.200 0.103 0.000 2.227 325 E HA 0.504 4.853 4.350 -0.003 0.000 0.282 325 E C -2.503 174.184 176.600 0.144 0.000 1.015 325 E CA -1.647 54.786 56.400 0.056 0.000 0.823 325 E CB -0.069 29.625 29.700 -0.011 0.000 1.081 325 E HN 0.397 nan 8.360 nan 0.000 0.396 326 P HA -0.082 nan 4.420 nan 0.000 0.270 326 P C -0.892 176.507 177.300 0.166 0.000 1.221 326 P CA -0.054 63.169 63.100 0.204 0.000 0.788 326 P CB 0.379 32.145 31.700 0.111 0.000 0.904 327 W N 0.987 122.313 121.300 0.042 0.000 2.347 327 W HA 0.278 4.936 4.660 -0.003 0.000 0.321 327 W C -0.059 176.484 176.519 0.040 0.000 0.971 327 W CA 0.103 57.480 57.345 0.053 0.000 1.508 327 W CB 0.307 29.795 29.460 0.047 0.000 1.299 327 W HN 0.193 nan 8.180 nan 0.000 0.399 328 D N 0.863 121.338 120.400 0.125 0.000 2.332 328 D HA 0.725 5.364 4.640 -0.003 0.000 0.252 328 D C 0.389 176.751 176.300 0.103 0.000 1.050 328 D CA 0.184 54.244 54.000 0.100 0.000 0.970 328 D CB 1.923 42.761 40.800 0.064 0.000 1.141 328 D HN 0.475 nan 8.370 nan 0.000 0.485 329 G N 0.958 109.811 108.800 0.089 0.000 2.321 329 G HA2 0.108 4.067 3.960 -0.003 0.000 0.339 329 G HA3 0.108 4.067 3.960 -0.003 0.000 0.339 329 G C -3.084 171.871 174.900 0.092 0.000 1.518 329 G CA -1.101 44.057 45.100 0.096 0.000 0.994 329 G HN 0.323 nan 8.290 nan 0.000 0.668 330 P HA 0.437 nan 4.420 nan 0.000 0.266 330 P C -0.135 177.264 177.300 0.164 0.000 1.195 330 P CA 0.778 63.906 63.100 0.046 0.000 0.768 330 P CB 1.236 32.951 31.700 0.025 0.000 0.838 331 A N 2.510 125.398 122.820 0.114 0.000 2.579 331 A HA 0.600 4.919 4.320 -0.003 0.000 0.288 331 A C -0.540 177.081 177.584 0.062 0.000 1.079 331 A CA -0.504 51.608 52.037 0.124 0.000 0.889 331 A CB 0.470 19.411 19.000 -0.097 0.000 1.439 331 A HN 0.479 nan 8.150 nan 0.000 0.399 332 A N 2.896 125.790 122.820 0.122 0.000 2.409 332 A HA 0.695 5.013 4.320 -0.003 0.000 0.267 332 A C -0.236 177.406 177.584 0.096 0.000 1.127 332 A CA 0.125 52.219 52.037 0.095 0.000 0.795 332 A CB -0.052 19.006 19.000 0.096 0.000 1.061 332 A HN 0.898 nan 8.150 nan 0.000 0.502 333 L N 1.763 123.014 121.223 0.047 0.000 2.354 333 L HA 0.755 5.093 4.340 -0.003 0.000 0.269 333 L C 0.191 177.082 176.870 0.035 0.000 1.005 333 L CA -0.656 54.194 54.840 0.016 0.000 0.819 333 L CB 2.257 44.281 42.059 -0.058 0.000 1.311 333 L HN 0.740 nan 8.230 nan 0.000 0.423 334 A N 3.864 126.699 122.820 0.025 0.000 2.335 334 A HA 0.873 5.192 4.320 -0.003 0.000 0.304 334 A C -0.813 176.712 177.584 -0.098 0.000 1.118 334 A CA -0.388 51.647 52.037 -0.004 0.000 0.757 334 A CB 1.369 20.438 19.000 0.114 0.000 1.188 334 A HN 0.740 nan 8.150 nan 0.000 0.460 335 M N 1.166 120.656 119.600 -0.183 0.000 2.619 335 M HA 0.732 5.210 4.480 -0.003 0.000 0.297 335 M C -0.508 175.660 176.300 -0.222 0.000 1.229 335 M CA -0.234 54.930 55.300 -0.227 0.000 0.860 335 M CB 2.952 35.464 32.600 -0.147 0.000 1.741 335 M HN 0.790 nan 8.290 nan 0.000 0.462 336 T N 0.746 115.174 114.554 -0.210 0.000 3.709 336 T HA 0.296 4.644 4.350 -0.003 0.000 0.378 336 T C -1.854 172.791 174.700 -0.091 0.000 1.352 336 T CA -0.935 61.051 62.100 -0.190 0.000 1.144 336 T CB 0.640 69.257 68.868 -0.418 0.000 1.289 336 T HN 0.820 nan 8.240 nan 0.000 0.476 337 D N 2.846 123.251 120.400 0.010 0.000 2.511 337 D HA 0.373 5.012 4.640 -0.003 0.000 0.276 337 D C 1.747 178.035 176.300 -0.019 0.000 1.220 337 D CA 0.216 54.246 54.000 0.050 0.000 1.077 337 D CB -0.035 40.814 40.800 0.081 0.000 1.126 337 D HN 0.697 nan 8.370 nan 0.000 0.583 338 G N -0.991 107.808 108.800 -0.001 0.000 2.450 338 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.220 338 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.220 338 G C 1.583 176.419 174.900 -0.107 0.000 1.130 338 G CA 0.950 46.024 45.100 -0.043 0.000 0.760 338 G HN 0.547 nan 8.290 nan 0.000 0.557 339 R N -1.846 118.614 120.500 -0.068 0.000 2.191 339 R HA 0.179 4.517 4.340 -0.003 0.000 0.196 339 R C 0.171 176.328 176.300 -0.238 0.000 0.991 339 R CA -0.410 55.596 56.100 -0.157 0.000 1.075 339 R CB 0.230 30.436 30.300 -0.157 0.000 1.040 339 R HN 0.330 nan 8.270 nan 0.000 0.526 340 W N 0.272 121.447 121.300 -0.209 0.000 2.415 340 W HA 0.467 5.125 4.660 -0.003 0.000 0.355 340 W C -0.744 175.601 176.519 -0.290 0.000 1.161 340 W CA -0.525 56.677 57.345 -0.238 0.000 1.315 340 W CB 1.482 30.799 29.460 -0.239 0.000 1.261 340 W HN -0.338 nan 8.180 nan 0.000 0.636 341 V N 2.923 122.831 119.914 -0.009 0.000 2.525 341 V HA 0.477 4.595 4.120 -0.003 0.000 0.299 341 V C -0.745 175.205 176.094 -0.241 0.000 1.034 341 V CA -0.982 61.203 62.300 -0.191 0.000 0.863 341 V CB 1.269 32.973 31.823 -0.199 0.000 0.999 341 V HN 0.314 nan 8.190 nan 0.000 0.423 342 V N 2.583 122.311 119.914 -0.309 0.000 2.656 342 V HA 0.846 4.964 4.120 -0.003 0.000 0.307 342 V C 0.535 176.354 176.094 -0.458 0.000 1.051 342 V CA -0.639 61.450 62.300 -0.351 0.000 0.893 342 V CB 1.910 33.606 31.823 -0.212 0.000 0.999 342 V HN 0.885 nan 8.190 nan 0.000 0.426 343 G N 1.583 110.106 108.800 -0.463 0.000 2.335 343 G HA2 0.687 4.646 3.960 -0.003 0.000 0.316 343 G HA3 0.687 4.646 3.960 -0.003 0.000 0.316 343 G C -0.139 174.747 174.900 -0.023 0.000 1.129 343 G CA -0.146 44.851 45.100 -0.171 0.000 0.899 343 G HN 1.185 nan 8.290 nan 0.000 0.448 344 G N 0.299 109.106 108.800 0.010 0.000 2.642 344 G HA2 0.611 4.569 3.960 -0.003 0.000 0.293 344 G HA3 0.611 4.569 3.960 -0.003 0.000 0.293 344 G C -1.118 173.796 174.900 0.023 0.000 1.341 344 G CA -0.819 44.284 45.100 0.005 0.000 0.916 344 G HN 0.709 nan 8.290 nan 0.000 0.474 345 M N 0.743 120.351 119.600 0.014 0.000 2.716 345 M HA 0.393 4.872 4.480 -0.003 0.000 0.307 345 M C -0.287 176.015 176.300 0.003 0.000 1.223 345 M CA -0.910 54.399 55.300 0.016 0.000 0.871 345 M CB 1.975 34.590 32.600 0.024 0.000 1.739 345 M HN 0.719 nan 8.290 nan 0.000 0.475 346 D N 1.230 121.632 120.400 0.003 0.000 2.433 346 D HA 0.162 4.801 4.640 -0.003 0.000 0.255 346 D C 0.070 176.373 176.300 0.004 0.000 1.226 346 D CA -0.400 53.602 54.000 0.005 0.000 1.015 346 D CB 0.611 41.417 40.800 0.010 0.000 1.091 346 D HN 0.817 nan 8.370 nan 0.000 0.527 347 R N -0.754 119.752 120.500 0.010 0.000 2.339 347 R HA 0.046 4.385 4.340 -0.003 0.000 0.199 347 R C -0.016 176.287 176.300 0.005 0.000 1.018 347 R CA 0.614 56.719 56.100 0.009 0.000 1.036 347 R CB -0.438 29.870 30.300 0.014 0.000 0.899 347 R HN 0.185 nan 8.270 nan 0.000 0.473 348 N N 0.179 118.873 118.700 -0.010 0.000 2.241 348 N HA 0.153 4.892 4.740 -0.003 0.000 0.238 348 N C -0.192 175.293 175.510 -0.042 0.000 1.244 348 N CA 0.408 53.445 53.050 -0.022 0.000 0.880 348 N CB 1.464 39.928 38.487 -0.039 0.000 1.179 348 N HN 0.368 nan 8.380 nan 0.000 0.513 349 G N 1.236 110.020 108.800 -0.026 0.000 2.412 349 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.297 349 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.297 349 G C 0.768 175.625 174.900 -0.071 0.000 0.965 349 G CA 0.296 45.382 45.100 -0.024 0.000 1.134 349 G HN 0.424 nan 8.290 nan 0.000 0.511 350 L N -1.395 119.752 121.223 -0.126 0.000 2.478 350 L HA 0.168 4.506 4.340 -0.003 0.000 0.223 350 L C 1.547 178.331 176.870 -0.142 0.000 1.140 350 L CA 0.604 55.270 54.840 -0.290 0.000 0.842 350 L CB -0.127 41.745 42.059 -0.312 0.000 0.953 350 L HN 0.257 nan 8.230 nan 0.000 0.452 351 R N -0.002 120.489 120.500 -0.016 0.000 2.744 351 R HA 0.428 4.766 4.340 -0.003 0.000 0.279 351 R C -2.478 173.843 176.300 0.035 0.000 0.977 351 R CA -1.959 54.168 56.100 0.045 0.000 0.906 351 R CB 1.209 31.543 30.300 0.057 0.000 1.197 351 R HN -0.228 nan 8.270 nan 0.000 0.463 352 P HA 0.160 nan 4.420 nan 0.000 0.271 352 P C -0.426 176.876 177.300 0.004 0.000 1.233 352 P CA -0.275 62.822 63.100 -0.006 0.000 0.789 352 P CB 0.753 32.432 31.700 -0.035 0.000 0.951 353 M N 0.678 120.276 119.600 -0.004 0.000 4.463 353 M HA 0.173 4.651 4.480 -0.003 0.000 0.523 353 M C -0.840 175.461 176.300 0.001 0.000 2.065 353 M CA -0.226 55.087 55.300 0.021 0.000 0.509 353 M CB 0.398 33.044 32.600 0.077 0.000 2.446 353 M HN 0.046 nan 8.290 nan 0.000 0.576 354 R N 1.612 122.086 120.500 -0.043 0.000 2.801 354 R HA 0.636 4.975 4.340 -0.003 0.000 0.273 354 R C -0.854 175.440 176.300 -0.011 0.000 1.080 354 R CA 0.026 56.070 56.100 -0.094 0.000 1.197 354 R CB 0.175 30.422 30.300 -0.088 0.000 1.109 354 R HN 0.639 nan 8.270 nan 0.000 0.535 355 Y N -3.745 116.532 120.300 -0.040 0.000 2.604 355 Y HA 0.480 5.029 4.550 -0.003 0.000 0.331 355 Y C -1.339 174.546 175.900 -0.025 0.000 1.158 355 Y CA -1.071 56.994 58.100 -0.058 0.000 1.056 355 Y CB 0.957 39.400 38.460 -0.028 0.000 1.330 355 Y HN 0.390 nan 8.280 nan 0.000 0.457 356 T N 4.635 119.401 114.554 0.352 0.000 2.863 356 T HA 0.698 5.047 4.350 -0.003 0.000 0.285 356 T C -0.852 173.953 174.700 0.175 0.000 1.009 356 T CA -0.596 61.648 62.100 0.240 0.000 0.989 356 T CB 1.040 69.968 68.868 0.100 0.000 1.004 356 T HN 0.615 nan 8.240 nan 0.000 0.455 357 I N 3.138 123.797 120.570 0.147 0.000 2.474 357 I HA 0.417 4.586 4.170 -0.003 0.000 0.294 357 I C 0.641 176.795 176.117 0.061 0.000 1.005 357 I CA -0.734 60.613 61.300 0.077 0.000 1.113 357 I CB 2.232 40.273 38.000 0.068 0.000 1.289 357 I HN 0.709 nan 8.210 nan 0.000 0.436 358 T N -0.368 114.213 114.554 0.045 0.000 2.938 358 T HA 0.243 4.591 4.350 -0.003 0.000 0.285 358 T C 1.119 175.837 174.700 0.031 0.000 1.028 358 T CA -0.219 61.903 62.100 0.037 0.000 1.005 358 T CB 1.671 70.559 68.868 0.032 0.000 1.157 358 T HN 0.727 nan 8.240 nan 0.000 0.550 359 T N -1.283 113.287 114.554 0.026 0.000 2.857 359 T HA -0.122 4.226 4.350 -0.003 0.000 0.266 359 T C 1.271 175.984 174.700 0.022 0.000 1.048 359 T CA 1.323 63.436 62.100 0.023 0.000 1.139 359 T CB -0.925 67.955 68.868 0.019 0.000 0.874 359 T HN 0.753 nan 8.240 nan 0.000 0.455 360 D N 1.790 122.204 120.400 0.022 0.000 2.390 360 D HA 0.136 4.775 4.640 -0.003 0.000 0.235 360 D C 1.458 177.773 176.300 0.025 0.000 1.040 360 D CA 0.614 54.627 54.000 0.022 0.000 0.923 360 D CB -1.263 39.550 40.800 0.021 0.000 0.886 360 D HN 0.763 nan 8.370 nan 0.000 0.532 361 G N -0.308 108.508 108.800 0.027 0.000 2.212 361 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.255 361 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.255 361 G C -0.535 174.387 174.900 0.037 0.000 1.062 361 G CA 0.035 45.153 45.100 0.030 0.000 0.815 361 G HN 0.351 nan 8.290 nan 0.000 0.497 362 L N -0.286 120.962 121.223 0.041 0.000 2.370 362 L HA 0.835 5.174 4.340 -0.003 0.000 0.266 362 L C 0.019 176.921 176.870 0.053 0.000 1.002 362 L CA -1.492 53.380 54.840 0.053 0.000 0.818 362 L CB 2.006 44.093 42.059 0.047 0.000 1.325 362 L HN 0.312 nan 8.230 nan 0.000 0.418 363 I N 3.761 124.376 120.570 0.075 0.000 2.406 363 I HA 0.523 4.691 4.170 -0.003 0.000 0.290 363 I C -1.049 175.100 176.117 0.054 0.000 0.999 363 I CA -0.436 60.899 61.300 0.059 0.000 1.124 363 I CB 1.030 39.072 38.000 0.069 0.000 1.289 363 I HN 0.491 nan 8.210 nan 0.000 0.441 364 I N 7.971 128.530 120.570 -0.018 0.000 2.330 364 I HA 0.390 4.558 4.170 -0.003 0.000 0.286 364 I C 0.817 176.729 176.117 -0.342 0.000 1.025 364 I CA -0.489 60.747 61.300 -0.106 0.000 1.197 364 I CB 1.211 39.199 38.000 -0.020 0.000 1.358 364 I HN 0.618 nan 8.210 nan 0.000 0.467 365 G N 3.953 112.109 108.800 -1.074 0.000 2.442 365 G HA2 0.589 4.547 3.960 -0.003 0.000 0.249 365 G HA3 0.589 4.547 3.960 -0.003 0.000 0.249 365 G C -0.050 174.507 174.900 -0.572 0.000 1.263 365 G CA -0.158 44.040 45.100 -1.502 0.000 0.846 365 G HN 0.792 nan 8.290 nan 0.000 0.555 366 G N -0.533 108.109 108.800 -0.262 0.000 2.684 366 G HA2 0.461 4.419 3.960 -0.003 0.000 0.290 366 G HA3 0.461 4.419 3.960 -0.003 0.000 0.290 366 G C 0.203 175.065 174.900 -0.063 0.000 1.425 366 G CA 0.406 45.435 45.100 -0.118 0.000 0.822 366 G HN 0.615 nan 8.290 nan 0.000 0.482 367 S N -1.237 114.437 115.700 -0.044 0.000 2.510 367 S HA 0.205 4.674 4.470 -0.003 0.000 0.230 367 S C 0.972 175.556 174.600 -0.027 0.000 1.066 367 S CA 0.861 59.042 58.200 -0.032 0.000 0.941 367 S CB -0.128 63.049 63.200 -0.039 0.000 0.829 367 S HN 0.695 nan 8.310 nan 0.000 0.530 368 E N -0.688 119.505 120.200 -0.011 0.000 2.518 368 E HA 0.439 4.787 4.350 -0.003 0.000 0.248 368 E C 0.333 176.925 176.600 -0.014 0.000 1.028 368 E CA -0.456 55.937 56.400 -0.011 0.000 0.922 368 E CB 0.673 30.382 29.700 0.016 0.000 1.299 368 E HN 0.031 nan 8.360 nan 0.000 0.457 369 T N -1.662 112.882 114.554 -0.018 0.000 3.174 369 T HA 0.146 4.494 4.350 -0.003 0.000 0.252 369 T C 1.537 176.227 174.700 -0.016 0.000 0.984 369 T CA 0.624 62.712 62.100 -0.020 0.000 1.113 369 T CB -0.606 68.243 68.868 -0.032 0.000 1.088 369 T HN 0.559 nan 8.240 nan 0.000 0.442 370 G N 1.998 110.785 108.800 -0.022 0.000 2.780 370 G HA2 -0.064 3.895 3.960 -0.003 0.000 0.205 370 G HA3 -0.064 3.895 3.960 -0.003 0.000 0.205 370 G C 1.317 176.195 174.900 -0.036 0.000 1.158 370 G CA 0.207 45.291 45.100 -0.028 0.000 0.812 370 G HN 0.497 nan 8.290 nan 0.000 0.521 371 M N -0.537 119.048 119.600 -0.025 0.000 2.539 371 M HA 0.048 4.526 4.480 -0.003 0.000 0.261 371 M C -0.138 176.153 176.300 -0.014 0.000 1.069 371 M CA 0.916 56.206 55.300 -0.017 0.000 1.081 371 M CB 0.233 32.853 32.600 0.033 0.000 1.412 371 M HN 0.002 nan 8.290 nan 0.000 0.482 372 V N 0.370 120.276 119.914 -0.013 0.000 2.739 372 V HA 0.121 4.240 4.120 -0.003 0.000 0.293 372 V C -0.277 175.811 176.094 -0.010 0.000 1.199 372 V CA -1.304 60.985 62.300 -0.018 0.000 0.931 372 V CB 2.142 33.954 31.823 -0.019 0.000 1.052 372 V HN 0.120 nan 8.190 nan 0.000 0.441 373 K N 4.730 125.125 120.400 -0.008 0.000 2.550 373 K HA 0.279 4.597 4.320 -0.003 0.000 0.280 373 K C -0.934 175.667 176.600 0.002 0.000 0.987 373 K CA 0.655 56.941 56.287 -0.001 0.000 1.048 373 K CB 0.272 32.773 32.500 0.000 0.000 0.879 373 K HN 0.602 nan 8.250 nan 0.000 0.491 374 I N 2.700 123.274 120.570 0.006 0.000 2.722 374 I HA 0.027 4.195 4.170 -0.003 0.000 0.292 374 I C -1.034 175.089 176.117 0.011 0.000 1.267 374 I CA -0.965 60.341 61.300 0.010 0.000 1.036 374 I CB 2.156 40.164 38.000 0.014 0.000 1.281 374 I HN 0.655 nan 8.210 nan 0.000 0.423 375 D N 4.213 124.620 120.400 0.011 0.000 2.308 375 D HA 0.095 4.734 4.640 -0.003 0.000 0.251 375 D C 1.126 177.433 176.300 0.012 0.000 1.127 375 D CA -0.048 53.958 54.000 0.011 0.000 0.876 375 D CB 1.329 42.135 40.800 0.010 0.000 1.176 375 D HN 0.380 nan 8.370 nan 0.000 0.446 376 E N 1.635 121.842 120.200 0.011 0.000 2.070 376 E HA -0.204 4.145 4.350 -0.003 0.000 0.197 376 E C 1.824 178.431 176.600 0.012 0.000 1.004 376 E CA 1.233 57.639 56.400 0.011 0.000 0.805 376 E CB -0.479 29.227 29.700 0.009 0.000 0.744 376 E HN 0.596 nan 8.360 nan 0.000 0.451 377 T N 1.308 115.869 114.554 0.011 0.000 2.795 377 T HA -0.225 4.123 4.350 -0.003 0.000 0.266 377 T C 1.267 175.974 174.700 0.013 0.000 1.056 377 T CA 1.636 63.742 62.100 0.011 0.000 1.141 377 T CB -0.112 68.762 68.868 0.010 0.000 0.840 377 T HN 0.269 nan 8.240 nan 0.000 0.493 378 Q N -0.103 119.706 119.800 0.015 0.000 2.172 378 Q HA 0.263 4.601 4.340 -0.003 0.000 0.217 378 Q C -0.544 175.470 176.000 0.022 0.000 0.832 378 Q CA -0.245 55.569 55.803 0.018 0.000 1.010 378 Q CB 1.132 29.880 28.738 0.017 0.000 1.133 378 Q HN 0.246 nan 8.270 nan 0.000 0.489 379 V N 2.675 122.603 119.914 0.022 0.000 2.432 379 V HA 0.075 4.194 4.120 -0.003 0.000 0.271 379 V C 1.174 177.286 176.094 0.031 0.000 1.046 379 V CA 0.106 62.424 62.300 0.030 0.000 0.945 379 V CB 0.720 32.559 31.823 0.027 0.000 0.992 379 V HN 0.415 nan 8.190 nan 0.000 0.471 380 I N 1.576 122.170 120.570 0.040 0.000 3.462 380 I HA 0.419 4.588 4.170 -0.003 0.000 0.290 380 I C 0.672 176.818 176.117 0.049 0.000 1.236 380 I CA 0.709 62.032 61.300 0.039 0.000 1.418 380 I CB 0.424 38.447 38.000 0.037 0.000 1.102 380 I HN 0.702 nan 8.210 nan 0.000 0.441 381 E N 1.123 121.367 120.200 0.073 0.000 2.407 381 E HA 0.428 4.776 4.350 -0.003 0.000 0.279 381 E C -1.531 175.139 176.600 0.116 0.000 1.012 381 E CA -0.873 55.584 56.400 0.095 0.000 0.800 381 E CB 1.848 31.631 29.700 0.139 0.000 1.276 381 E HN 0.095 nan 8.360 nan 0.000 0.452 382 K N 1.732 122.169 120.400 0.062 0.000 2.740 382 K HA 0.368 4.687 4.320 -0.003 0.000 0.246 382 K C -0.590 175.900 176.600 -0.185 0.000 1.021 382 K CA -0.422 55.854 56.287 -0.020 0.000 1.021 382 K CB 1.693 34.171 32.500 -0.036 0.000 1.233 382 K HN 0.634 nan 8.250 nan 0.000 0.497 383 G N 1.767 110.233 108.800 -0.557 0.000 2.857 383 G HA2 0.731 4.690 3.960 -0.003 0.000 0.217 383 G HA3 0.731 4.690 3.960 -0.003 0.000 0.217 383 G C -0.553 173.754 174.900 -0.987 0.000 1.357 383 G CA -0.452 44.079 45.100 -0.949 0.000 1.033 383 G HN 0.575 nan 8.290 nan 0.000 0.571 384 R N -2.417 117.587 120.500 -0.827 0.000 2.780 384 R HA 0.409 4.748 4.340 -0.003 0.000 0.280 384 R C -2.075 174.164 176.300 -0.102 0.000 1.016 384 R CA -0.873 55.009 56.100 -0.363 0.000 0.854 384 R CB 0.313 30.481 30.300 -0.219 0.000 1.293 384 R HN 0.414 nan 8.270 nan 0.000 0.483 385 L N 0.693 121.924 121.223 0.013 0.000 2.334 385 L HA 0.722 5.060 4.340 -0.003 0.000 0.272 385 L C 0.608 177.494 176.870 0.028 0.000 1.020 385 L CA -0.084 54.797 54.840 0.068 0.000 0.812 385 L CB 1.544 43.666 42.059 0.104 0.000 1.264 385 L HN 0.995 nan 8.230 nan 0.000 0.439 386 G N 1.408 110.227 108.800 0.032 0.000 2.932 386 G HA2 0.660 4.618 3.960 -0.003 0.000 0.283 386 G HA3 0.660 4.618 3.960 -0.003 0.000 0.283 386 G C -2.854 172.062 174.900 0.026 0.000 1.336 386 G CA -1.414 43.698 45.100 0.021 0.000 1.056 386 G HN 0.330 nan 8.290 nan 0.000 0.522 387 P HA 0.159 nan 4.420 nan 0.000 0.264 387 P C 1.042 178.355 177.300 0.022 0.000 1.183 387 P CA 1.752 64.863 63.100 0.019 0.000 0.763 387 P CB 0.905 32.617 31.700 0.020 0.000 0.807 388 G N 1.832 110.641 108.800 0.014 0.000 2.353 388 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.258 388 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.258 388 G C 0.162 175.065 174.900 0.004 0.000 1.013 388 G CA 0.083 45.187 45.100 0.007 0.000 0.622 388 G HN 0.608 nan 8.290 nan 0.000 0.535 389 E N 1.222 121.435 120.200 0.022 0.000 2.409 389 E HA 0.543 4.891 4.350 -0.003 0.000 0.257 389 E C 1.013 177.625 176.600 0.020 0.000 1.150 389 E CA 0.505 56.920 56.400 0.026 0.000 0.942 389 E CB 0.423 30.156 29.700 0.056 0.000 0.979 389 E HN 0.712 nan 8.360 nan 0.000 0.447 390 M N 0.447 120.053 119.600 0.009 0.000 2.755 390 M HA 0.721 5.200 4.480 -0.003 0.000 0.298 390 M C -0.935 175.387 176.300 0.037 0.000 1.251 390 M CA -1.109 54.191 55.300 -0.001 0.000 0.817 390 M CB 1.869 34.426 32.600 -0.072 0.000 1.760 390 M HN 0.581 nan 8.290 nan 0.000 0.473 391 I N 0.446 121.028 120.570 0.021 0.000 2.827 391 I HA 0.909 5.077 4.170 -0.003 0.000 0.298 391 I C -1.872 174.222 176.117 -0.040 0.000 1.235 391 I CA -0.318 61.005 61.300 0.038 0.000 1.021 391 I CB 2.204 40.244 38.000 0.068 0.000 1.259 391 I HN 1.081 nan 8.210 nan 0.000 0.427 392 A N 5.051 127.875 122.820 0.007 0.000 2.581 392 A HA 0.865 5.184 4.320 -0.003 0.000 0.290 392 A C -2.047 175.596 177.584 0.099 0.000 1.119 392 A CA -0.582 51.457 52.037 0.003 0.000 0.670 392 A CB 1.860 20.852 19.000 -0.013 0.000 1.280 392 A HN 0.490 nan 8.150 nan 0.000 0.425 393 V N 1.409 121.379 119.914 0.092 0.000 2.686 393 V HA 0.418 4.536 4.120 -0.003 0.000 0.306 393 V C -1.369 174.619 176.094 -0.176 0.000 1.065 393 V CA -0.512 61.801 62.300 0.021 0.000 0.894 393 V CB 1.956 33.772 31.823 -0.011 0.000 1.004 393 V HN 0.907 nan 8.190 nan 0.000 0.424 394 D N 4.398 124.488 120.400 -0.515 0.000 2.456 394 D HA 0.293 4.932 4.640 -0.003 0.000 0.219 394 D C 1.041 177.040 176.300 -0.500 0.000 1.126 394 D CA -0.173 53.184 54.000 -1.071 0.000 0.890 394 D CB 1.281 41.181 40.800 -1.500 0.000 1.025 394 D HN 0.456 nan 8.370 nan 0.000 0.511 395 L N 2.710 123.701 121.223 -0.388 0.000 2.127 395 L HA -0.221 4.117 4.340 -0.003 0.000 0.211 395 L C 2.377 179.132 176.870 -0.191 0.000 1.089 395 L CA 1.060 55.773 54.840 -0.211 0.000 0.757 395 L CB -0.233 41.725 42.059 -0.168 0.000 0.899 395 L HN 0.456 nan 8.230 nan 0.000 0.434 396 Q N -0.391 119.252 119.800 -0.261 0.000 2.124 396 Q HA -0.145 4.193 4.340 -0.003 0.000 0.202 396 Q C 1.949 177.869 176.000 -0.133 0.000 0.977 396 Q CA 1.843 57.544 55.803 -0.170 0.000 0.850 396 Q CB -0.009 28.628 28.738 -0.169 0.000 0.901 396 Q HN 0.508 nan 8.270 nan 0.000 0.429 397 S N -0.941 114.659 115.700 -0.166 0.000 2.540 397 S HA 0.230 4.699 4.470 -0.003 0.000 0.218 397 S C 0.890 175.452 174.600 -0.063 0.000 0.977 397 S CA 0.198 58.344 58.200 -0.089 0.000 0.918 397 S CB 0.999 64.155 63.200 -0.073 0.000 0.806 397 S HN 0.527 nan 8.310 nan 0.000 0.496 398 G N 3.037 111.785 108.800 -0.087 0.000 2.412 398 G HA2 -0.284 3.675 3.960 -0.003 0.000 0.297 398 G HA3 -0.284 3.675 3.960 -0.003 0.000 0.297 398 G C -0.362 174.531 174.900 -0.011 0.000 0.965 398 G CA 0.212 45.285 45.100 -0.045 0.000 1.134 398 G HN 0.510 nan 8.290 nan 0.000 0.511 399 K N -0.454 119.950 120.400 0.007 0.000 2.324 399 K HA 0.618 4.936 4.320 -0.003 0.000 0.253 399 K C -0.468 176.247 176.600 0.191 0.000 0.932 399 K CA -1.240 55.105 56.287 0.096 0.000 0.799 399 K CB 2.553 35.166 32.500 0.188 0.000 1.154 399 K HN 0.121 nan 8.250 nan 0.000 0.425 400 L N 2.895 124.215 121.223 0.162 0.000 2.292 400 L HA 0.341 4.679 4.340 -0.003 0.000 0.284 400 L C -1.495 175.571 176.870 0.326 0.000 1.065 400 L CA -0.097 54.867 54.840 0.207 0.000 0.806 400 L CB 0.183 42.295 42.059 0.088 0.000 1.175 400 L HN 0.403 nan 8.230 nan 0.000 0.431 401 Y N 4.674 125.016 120.300 0.071 0.000 2.331 401 Y HA 0.563 5.112 4.550 -0.003 0.000 0.334 401 Y C 0.476 176.405 175.900 0.047 0.000 0.960 401 Y CA -0.767 57.381 58.100 0.080 0.000 1.130 401 Y CB 1.284 39.816 38.460 0.120 0.000 1.164 401 Y HN 0.583 nan 8.280 nan 0.000 0.458 402 R N 0.775 121.379 120.500 0.174 0.000 2.652 402 R HA 0.034 4.373 4.340 -0.003 0.000 0.272 402 R C 1.067 177.448 176.300 0.133 0.000 1.162 402 R CA -0.390 55.791 56.100 0.135 0.000 1.199 402 R CB 0.454 30.824 30.300 0.116 0.000 1.166 402 R HN 0.712 nan 8.270 nan 0.000 0.597 403 D N 0.844 121.311 120.400 0.112 0.000 2.103 403 D HA -0.213 4.425 4.640 -0.003 0.000 0.190 403 D C 1.826 178.172 176.300 0.078 0.000 0.997 403 D CA 1.767 55.814 54.000 0.078 0.000 0.833 403 D CB 0.059 40.902 40.800 0.071 0.000 0.961 403 D HN 0.371 nan 8.370 nan 0.000 0.447 404 R N 0.253 120.820 120.500 0.112 0.000 2.113 404 R HA -0.191 4.148 4.340 -0.003 0.000 0.231 404 R C 2.302 178.696 176.300 0.156 0.000 1.129 404 R CA 2.397 58.593 56.100 0.161 0.000 0.915 404 R CB -0.285 30.103 30.300 0.147 0.000 0.837 404 R HN 0.210 nan 8.270 nan 0.000 0.430 405 E N 0.808 121.087 120.200 0.133 0.000 2.147 405 E HA -0.260 4.088 4.350 -0.003 0.000 0.199 405 E C 2.049 178.802 176.600 0.255 0.000 1.005 405 E CA 1.253 57.732 56.400 0.132 0.000 0.810 405 E CB -0.762 28.952 29.700 0.024 0.000 0.736 405 E HN 0.426 nan 8.360 nan 0.000 0.460 406 L N 1.028 122.412 121.223 0.268 0.000 2.093 406 L HA -0.086 4.253 4.340 -0.003 0.000 0.208 406 L C 2.112 179.030 176.870 0.080 0.000 1.085 406 L CA 1.705 56.703 54.840 0.265 0.000 0.755 406 L CB -0.148 41.950 42.059 0.065 0.000 0.904 406 L HN -0.100 nan 8.230 nan 0.000 0.435 407 K N -0.521 119.856 120.400 -0.039 0.000 2.155 407 K HA -0.092 4.226 4.320 -0.003 0.000 0.203 407 K C 1.679 178.196 176.600 -0.138 0.000 1.052 407 K CA 0.986 57.106 56.287 -0.278 0.000 0.948 407 K CB -0.354 31.729 32.500 -0.696 0.000 0.728 407 K HN 0.363 nan 8.250 nan 0.000 0.448 408 D N 0.745 121.219 120.400 0.122 0.000 2.108 408 D HA -0.199 4.440 4.640 -0.003 0.000 0.190 408 D C 1.878 178.308 176.300 0.216 0.000 0.995 408 D CA 1.426 55.577 54.000 0.253 0.000 0.834 408 D CB -0.581 40.351 40.800 0.220 0.000 0.967 408 D HN 0.366 nan 8.370 nan 0.000 0.446 409 H N -0.224 118.932 119.070 0.144 0.000 2.297 409 H HA -0.179 4.376 4.556 -0.003 0.000 0.289 409 H C 2.161 177.546 175.328 0.096 0.000 1.105 409 H CA 1.742 57.884 56.048 0.158 0.000 1.219 409 H CB -0.270 29.648 29.762 0.260 0.000 1.351 409 H HN 0.035 nan 8.280 nan 0.000 0.481 410 L N -0.062 121.326 121.223 0.274 0.000 2.201 410 L HA -0.053 4.285 4.340 -0.003 0.000 0.212 410 L C 2.745 179.795 176.870 0.300 0.000 1.105 410 L CA 1.061 56.022 54.840 0.202 0.000 0.775 410 L CB -0.454 41.592 42.059 -0.021 0.000 0.913 410 L HN 0.459 nan 8.230 nan 0.000 0.440 411 A N -1.050 121.914 122.820 0.240 0.000 1.930 411 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 411 A C 2.388 180.170 177.584 0.329 0.000 1.175 411 A CA 2.180 54.446 52.037 0.382 0.000 0.627 411 A CB -0.931 18.247 19.000 0.296 0.000 0.815 411 A HN 0.363 nan 8.150 nan 0.000 0.443 412 T N 0.793 115.435 114.554 0.147 0.000 2.737 412 T HA -0.131 4.218 4.350 -0.003 0.000 0.269 412 T C 1.732 176.363 174.700 -0.114 0.000 1.040 412 T CA 1.322 63.415 62.100 -0.013 0.000 1.142 412 T CB -0.335 68.492 68.868 -0.068 0.000 0.861 412 T HN 0.318 nan 8.240 nan 0.000 0.456 413 L N -0.233 120.972 121.223 -0.031 0.000 2.079 413 L HA -0.030 4.308 4.340 -0.003 0.000 0.210 413 L C 1.049 177.608 176.870 -0.520 0.000 1.081 413 L CA 1.452 56.201 54.840 -0.152 0.000 0.752 413 L CB -0.530 41.567 42.059 0.064 0.000 0.896 413 L HN 0.296 nan 8.230 nan 0.000 0.433 414 K N -1.388 118.345 120.400 -1.111 0.000 2.430 414 K HA 0.397 4.716 4.320 -0.003 0.000 0.268 414 K C -2.478 173.178 176.600 -1.574 0.000 1.043 414 K CA -1.955 53.386 56.287 -1.577 0.000 0.899 414 K CB 0.180 31.295 32.500 -2.308 0.000 1.472 414 K HN -0.343 nan 8.250 nan 0.000 0.451 415 P HA 0.172 nan 4.420 nan 0.000 0.225 415 P C 0.149 176.939 177.300 -0.851 0.000 1.813 415 P CA -0.263 62.319 63.100 -0.864 0.000 1.013 415 P CB -0.505 30.833 31.700 -0.604 0.000 1.961 416 W N 1.362 122.367 121.300 -0.492 0.000 2.301 416 W HA -0.297 4.361 4.660 -0.002 0.000 0.325 416 W C 1.786 178.257 176.519 -0.080 0.000 1.250 416 W CA 1.535 58.688 57.345 -0.320 0.000 1.261 416 W CB -0.976 28.369 29.460 -0.192 0.000 1.157 416 W HN 0.237 nan 8.180 nan 0.000 0.473 417 D N 0.308 120.802 120.400 0.157 0.000 2.084 417 D HA -0.205 4.434 4.640 -0.003 0.000 0.194 417 D C 1.694 178.085 176.300 0.152 0.000 0.990 417 D CA 1.395 55.483 54.000 0.147 0.000 0.826 417 D CB -1.155 39.700 40.800 0.092 0.000 0.971 417 D HN -0.031 nan 8.370 nan 0.000 0.453 418 K N -0.360 120.101 120.400 0.101 0.000 2.127 418 K HA -0.164 4.154 4.320 -0.003 0.000 0.208 418 K C 1.918 178.706 176.600 0.312 0.000 1.047 418 K CA 1.076 57.459 56.287 0.158 0.000 0.927 418 K CB -0.368 32.211 32.500 0.131 0.000 0.716 418 K HN 0.357 nan 8.250 nan 0.000 0.450 419 W N 0.152 121.479 121.300 0.045 0.000 2.443 419 W HA -0.009 4.650 4.660 -0.003 0.000 0.296 419 W C 2.242 178.837 176.519 0.126 0.000 1.202 419 W CA -0.299 57.090 57.345 0.073 0.000 1.312 419 W CB -1.153 28.356 29.460 0.081 0.000 1.120 419 W HN -0.219 nan 8.180 nan 0.000 0.536 420 V N 0.750 120.912 119.914 0.413 0.000 2.343 420 V HA -0.302 3.816 4.120 -0.003 0.000 0.247 420 V C 2.051 178.270 176.094 0.208 0.000 1.051 420 V CA 1.977 64.461 62.300 0.307 0.000 1.036 420 V CB -0.526 31.461 31.823 0.273 0.000 0.654 420 V HN 0.173 nan 8.190 nan 0.000 0.451 421 Q N -0.359 119.541 119.800 0.166 0.000 2.585 421 Q HA -0.183 4.155 4.340 -0.003 0.000 0.219 421 Q C 1.570 177.617 176.000 0.078 0.000 0.984 421 Q CA 0.892 56.749 55.803 0.091 0.000 0.915 421 Q CB -0.331 28.453 28.738 0.076 0.000 0.967 421 Q HN 0.656 nan 8.270 nan 0.000 0.530 422 N N 0.314 119.082 118.700 0.114 0.000 2.461 422 N HA -0.015 4.723 4.740 -0.003 0.000 0.188 422 N C -0.440 175.122 175.510 0.086 0.000 1.134 422 N CA 0.314 53.413 53.050 0.081 0.000 0.878 422 N CB 0.514 39.041 38.487 0.065 0.000 0.972 422 N HN 0.121 nan 8.380 nan 0.000 0.456 423 T N 0.236 114.856 114.554 0.109 0.000 2.837 423 T HA 0.183 4.531 4.350 -0.003 0.000 0.285 423 T C 0.285 175.069 174.700 0.140 0.000 0.984 423 T CA -0.225 61.963 62.100 0.147 0.000 1.049 423 T CB 2.025 71.035 68.868 0.238 0.000 0.947 423 T HN -0.161 nan 8.240 nan 0.000 0.472 424 T N 3.314 117.954 114.554 0.144 0.000 2.863 424 T HA 0.128 4.476 4.350 -0.003 0.000 0.299 424 T C 0.303 175.111 174.700 0.181 0.000 0.973 424 T CA -0.307 61.865 62.100 0.121 0.000 0.994 424 T CB -0.515 68.410 68.868 0.095 0.000 0.961 424 T HN 0.535 nan 8.240 nan 0.000 0.552 425 H N 4.034 123.096 119.070 -0.013 0.000 3.291 425 H HA 0.104 4.658 4.556 -0.003 0.000 0.256 425 H C 1.191 176.481 175.328 -0.063 0.000 1.315 425 H CA -0.583 55.446 56.048 -0.032 0.000 1.521 425 H CB 0.062 29.819 29.762 -0.009 0.000 1.621 425 H HN 0.566 nan 8.280 nan 0.000 0.498 426 L N 0.056 121.263 121.223 -0.027 0.000 2.930 426 L HA 0.126 4.465 4.340 -0.003 0.000 0.250 426 L C 0.256 177.092 176.870 -0.057 0.000 1.320 426 L CA -0.063 54.712 54.840 -0.108 0.000 1.163 426 L CB -0.072 41.792 42.059 -0.326 0.000 1.542 426 L HN 0.425 nan 8.230 nan 0.000 0.428 427 D N 0.987 121.389 120.400 0.004 0.000 2.165 427 D HA -0.116 4.522 4.640 -0.003 0.000 0.213 427 D C 1.728 178.037 176.300 0.015 0.000 0.983 427 D CA 1.165 55.169 54.000 0.006 0.000 0.881 427 D CB 0.157 40.974 40.800 0.027 0.000 1.028 427 D HN 0.566 nan 8.370 nan 0.000 0.457 428 E N 0.816 121.035 120.200 0.032 0.000 2.070 428 E HA -0.197 4.151 4.350 -0.003 0.000 0.197 428 E C 2.311 178.927 176.600 0.026 0.000 1.004 428 E CA 0.579 56.997 56.400 0.030 0.000 0.805 428 E CB -0.252 29.469 29.700 0.035 0.000 0.744 428 E HN 0.130 nan 8.360 nan 0.000 0.451 429 L N 0.446 121.685 121.223 0.027 0.000 2.189 429 L HA -0.186 4.152 4.340 -0.003 0.000 0.214 429 L C 2.089 178.973 176.870 0.023 0.000 1.097 429 L CA 1.131 55.991 54.840 0.032 0.000 0.764 429 L CB 0.054 42.140 42.059 0.045 0.000 0.900 429 L HN -0.043 nan 8.230 nan 0.000 0.436 430 V N -0.284 119.636 119.914 0.009 0.000 2.725 430 V HA -0.148 3.970 4.120 -0.003 0.000 0.247 430 V C 2.501 178.608 176.094 0.022 0.000 1.058 430 V CA 1.585 63.891 62.300 0.011 0.000 1.080 430 V CB -0.143 31.677 31.823 -0.005 0.000 0.713 430 V HN 0.531 nan 8.190 nan 0.000 0.465 431 K N -0.052 120.360 120.400 0.020 0.000 2.057 431 K HA -0.163 4.156 4.320 -0.003 0.000 0.206 431 K C 2.045 178.658 176.600 0.022 0.000 1.050 431 K CA 1.942 58.242 56.287 0.021 0.000 0.935 431 K CB -0.384 32.127 32.500 0.018 0.000 0.715 431 K HN 0.412 nan 8.250 nan 0.000 0.439 432 T N 1.308 115.876 114.554 0.023 0.000 2.469 432 T HA -0.254 4.094 4.350 -0.003 0.000 0.254 432 T C 1.872 176.587 174.700 0.024 0.000 1.214 432 T CA 2.316 64.430 62.100 0.023 0.000 1.202 432 T CB -0.727 68.157 68.868 0.026 0.000 0.864 432 T HN 0.507 nan 8.240 nan 0.000 0.408 433 A N 0.482 123.319 122.820 0.029 0.000 2.159 433 A HA -0.164 4.155 4.320 -0.003 0.000 0.222 433 A C 2.470 180.071 177.584 0.029 0.000 1.163 433 A CA 2.307 54.363 52.037 0.031 0.000 0.664 433 A CB -0.900 18.123 19.000 0.039 0.000 0.803 433 A HN 0.472 nan 8.150 nan 0.000 0.470 434 S N -0.776 114.940 115.700 0.027 0.000 2.348 434 S HA 0.010 4.479 4.470 -0.003 0.000 0.219 434 S C 1.868 176.475 174.600 0.012 0.000 1.033 434 S CA 0.960 59.174 58.200 0.023 0.000 0.974 434 S CB -0.393 62.821 63.200 0.024 0.000 0.868 434 S HN 0.538 nan 8.310 nan 0.000 0.459 435 L N 1.327 122.558 121.223 0.013 0.000 2.079 435 L HA -0.086 4.253 4.340 -0.003 0.000 0.210 435 L C 2.526 179.402 176.870 0.010 0.000 1.081 435 L CA 1.460 56.306 54.840 0.010 0.000 0.752 435 L CB -0.525 41.541 42.059 0.012 0.000 0.896 435 L HN 0.328 nan 8.230 nan 0.000 0.433 436 K N 0.581 120.989 120.400 0.014 0.000 2.585 436 K HA -0.005 4.313 4.320 -0.003 0.000 0.194 436 K C 0.243 176.849 176.600 0.010 0.000 1.037 436 K CA 0.603 56.898 56.287 0.014 0.000 0.964 436 K CB 0.001 32.511 32.500 0.017 0.000 0.787 436 K HN 0.389 nan 8.250 nan 0.000 0.488 437 G N 1.716 110.520 108.800 0.006 0.000 2.949 437 G HA2 -0.112 3.847 3.960 -0.003 0.000 0.658 437 G HA3 -0.112 3.847 3.960 -0.003 0.000 0.658 437 G C -1.281 173.617 174.900 -0.003 0.000 1.194 437 G CA -0.894 44.205 45.100 -0.002 0.000 1.204 437 G HN 0.117 nan 8.290 nan 0.000 0.524 438 E N 3.054 123.245 120.200 -0.015 0.000 2.383 438 E HA 0.143 4.491 4.350 -0.003 0.000 0.257 438 E C -1.062 175.525 176.600 -0.022 0.000 1.079 438 E CA -0.559 55.832 56.400 -0.015 0.000 0.934 438 E CB 1.221 30.899 29.700 -0.036 0.000 0.978 438 E HN 0.545 nan 8.360 nan 0.000 0.462 439 P HA 0.163 nan 4.420 nan 0.000 0.289 439 P C -0.577 176.716 177.300 -0.012 0.000 1.299 439 P CA -0.443 62.652 63.100 -0.008 0.000 0.766 439 P CB 1.011 32.711 31.700 -0.001 0.000 1.226 440 S N -1.323 114.373 115.700 -0.007 0.000 2.570 440 S HA 0.284 4.753 4.470 -0.003 0.000 0.286 440 S C -1.149 173.452 174.600 0.001 0.000 1.143 440 S CA -0.719 57.479 58.200 -0.003 0.000 0.921 440 S CB 0.675 63.873 63.200 -0.004 0.000 1.108 440 S HN 0.441 nan 8.310 nan 0.000 0.456 441 D N 3.298 123.698 120.400 0.001 0.000 2.673 441 D HA 0.254 4.892 4.640 -0.003 0.000 0.278 441 D C -0.390 175.911 176.300 0.002 0.000 1.393 441 D CA -0.022 53.978 54.000 -0.001 0.000 0.805 441 D CB 0.441 41.235 40.800 -0.010 0.000 1.110 441 D HN 0.490 nan 8.370 nan 0.000 0.476 442 M N 1.707 121.312 119.600 0.007 0.000 2.528 442 M HA 0.174 4.653 4.480 -0.003 0.000 0.321 442 M C -1.002 175.299 176.300 0.001 0.000 1.153 442 M CA -0.822 54.481 55.300 0.006 0.000 0.951 442 M CB 2.614 35.223 32.600 0.015 0.000 1.705 442 M HN -0.131 nan 8.290 nan 0.000 0.451 443 D N 2.431 122.828 120.400 -0.005 0.000 2.225 443 D HA 0.137 4.776 4.640 -0.003 0.000 0.248 443 D C 0.496 176.787 176.300 -0.016 0.000 1.096 443 D CA -0.389 53.606 54.000 -0.008 0.000 0.863 443 D CB 1.432 42.226 40.800 -0.010 0.000 1.156 443 D HN 0.659 nan 8.370 nan 0.000 0.450 444 K N 2.206 122.599 120.400 -0.011 0.000 2.229 444 K HA -0.372 3.946 4.320 -0.003 0.000 0.213 444 K C 1.696 178.274 176.600 -0.037 0.000 1.038 444 K CA 2.430 58.705 56.287 -0.019 0.000 0.936 444 K CB -0.459 32.033 32.500 -0.013 0.000 0.771 444 K HN 0.551 nan 8.250 nan 0.000 0.480 445 A N -0.008 122.789 122.820 -0.039 0.000 2.019 445 A HA -0.206 4.113 4.320 -0.003 0.000 0.219 445 A C 1.947 179.482 177.584 -0.081 0.000 1.164 445 A CA 1.943 53.945 52.037 -0.058 0.000 0.644 445 A CB -0.463 18.506 19.000 -0.051 0.000 0.805 445 A HN 0.643 nan 8.150 nan 0.000 0.449 446 E N -0.803 119.358 120.200 -0.065 0.000 2.035 446 E HA -0.042 4.307 4.350 -0.003 0.000 0.191 446 E C 1.814 178.361 176.600 -0.088 0.000 0.966 446 E CA 0.655 57.009 56.400 -0.077 0.000 0.823 446 E CB -0.385 29.294 29.700 -0.035 0.000 0.791 446 E HN 0.203 nan 8.360 nan 0.000 0.459 447 L N 1.894 123.086 121.223 -0.052 0.000 2.064 447 L HA -0.337 4.001 4.340 -0.003 0.000 0.234 447 L C 2.080 178.898 176.870 -0.087 0.000 1.103 447 L CA 2.205 57.016 54.840 -0.049 0.000 0.824 447 L CB -1.096 40.948 42.059 -0.026 0.000 0.919 447 L HN 0.225 nan 8.230 nan 0.000 0.447 448 R N -0.675 119.773 120.500 -0.086 0.000 2.103 448 R HA -0.225 4.113 4.340 -0.003 0.000 0.242 448 R C 2.270 178.470 176.300 -0.167 0.000 1.142 448 R CA 2.074 58.111 56.100 -0.104 0.000 0.960 448 R CB -0.542 29.711 30.300 -0.078 0.000 0.858 448 R HN 0.642 nan 8.270 nan 0.000 0.439 449 R N 0.893 121.262 120.500 -0.218 0.000 2.075 449 R HA -0.030 4.308 4.340 -0.003 0.000 0.226 449 R C 2.067 178.121 176.300 -0.410 0.000 1.114 449 R CA 0.855 56.745 56.100 -0.350 0.000 0.972 449 R CB -0.210 29.809 30.300 -0.468 0.000 0.869 449 R HN 0.059 nan 8.270 nan 0.000 0.437 450 R N 0.927 121.236 120.500 -0.319 0.000 2.126 450 R HA -0.121 4.217 4.340 -0.003 0.000 0.224 450 R C 2.418 178.468 176.300 -0.418 0.000 1.128 450 R CA 2.294 58.187 56.100 -0.345 0.000 0.895 450 R CB -0.639 29.540 30.300 -0.203 0.000 0.817 450 R HN 0.339 nan 8.270 nan 0.000 0.435 451 Q N 0.023 119.658 119.800 -0.274 0.000 2.245 451 Q HA -0.398 3.941 4.340 -0.003 0.000 0.220 451 Q C 2.144 178.016 176.000 -0.214 0.000 1.050 451 Q CA 2.412 58.101 55.803 -0.190 0.000 0.956 451 Q CB -0.341 28.339 28.738 -0.097 0.000 1.066 451 Q HN 0.299 nan 8.270 nan 0.000 0.430 452 Q N -0.174 119.482 119.800 -0.240 0.000 2.167 452 Q HA -0.083 4.256 4.340 -0.003 0.000 0.202 452 Q C 1.794 177.626 176.000 -0.280 0.000 0.970 452 Q CA 1.500 57.173 55.803 -0.215 0.000 0.855 452 Q CB -0.280 28.328 28.738 -0.216 0.000 0.911 452 Q HN 0.413 nan 8.270 nan 0.000 0.438 453 A N 0.029 122.604 122.820 -0.408 0.000 1.851 453 A HA -0.123 4.196 4.320 -0.003 0.000 0.216 453 A C 1.031 178.373 177.584 -0.404 0.000 1.195 453 A CA 1.404 53.194 52.037 -0.412 0.000 0.622 453 A CB -0.851 17.834 19.000 -0.525 0.000 0.831 453 A HN 0.460 nan 8.150 nan 0.000 0.444 454 F N 0.870 120.710 119.950 -0.184 0.000 2.726 454 F HA 0.361 4.887 4.527 -0.003 0.000 0.296 454 F C 1.793 177.423 175.800 -0.283 0.000 1.250 454 F CA -0.697 57.155 58.000 -0.248 0.000 1.434 454 F CB -1.576 37.426 39.000 0.002 0.000 1.043 454 F HN 0.319 nan 8.300 nan 0.000 0.508 455 G N 0.824 109.459 108.800 -0.276 0.000 2.361 455 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.294 455 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.294 455 G C 0.508 175.471 174.900 0.104 0.000 1.004 455 G CA 0.062 45.120 45.100 -0.070 0.000 0.870 455 G HN 0.417 nan 8.290 nan 0.000 0.510 456 L N -0.270 121.005 121.223 0.088 0.000 2.476 456 L HA 0.576 4.914 4.340 -0.003 0.000 0.264 456 L C 1.341 178.265 176.870 0.089 0.000 1.224 456 L CA 0.740 55.649 54.840 0.115 0.000 0.821 456 L CB 0.740 42.849 42.059 0.083 0.000 1.101 456 L HN 0.542 nan 8.230 nan 0.000 0.488 457 T N -2.455 112.167 114.554 0.113 0.000 2.754 457 T HA 0.272 4.621 4.350 -0.003 0.000 0.296 457 T C 0.427 175.188 174.700 0.101 0.000 1.205 457 T CA -0.831 61.331 62.100 0.103 0.000 1.009 457 T CB 1.203 70.152 68.868 0.135 0.000 1.368 457 T HN 0.545 nan 8.240 nan 0.000 0.509 458 M N 0.427 120.078 119.600 0.085 0.000 2.132 458 M HA 0.044 4.522 4.480 -0.003 0.000 0.263 458 M C 2.316 178.676 176.300 0.101 0.000 1.065 458 M CA 1.746 57.091 55.300 0.075 0.000 1.122 458 M CB -0.384 32.244 32.600 0.047 0.000 1.365 458 M HN 0.915 nan 8.290 nan 0.000 0.411 459 E N 0.079 120.362 120.200 0.138 0.000 2.130 459 E HA -0.271 4.077 4.350 -0.003 0.000 0.196 459 E C 1.338 178.045 176.600 0.179 0.000 0.998 459 E CA 1.642 58.150 56.400 0.180 0.000 0.806 459 E CB -0.002 29.870 29.700 0.287 0.000 0.738 459 E HN 0.496 nan 8.360 nan 0.000 0.459 460 D N -0.485 120.036 120.400 0.203 0.000 2.144 460 D HA -0.152 4.487 4.640 -0.003 0.000 0.199 460 D C 1.849 178.235 176.300 0.145 0.000 0.984 460 D CA 1.015 55.133 54.000 0.197 0.000 0.834 460 D CB 0.019 40.938 40.800 0.197 0.000 0.955 460 D HN 0.274 nan 8.370 nan 0.000 0.465 461 M N -0.133 119.542 119.600 0.125 0.000 2.287 461 M HA 0.022 4.500 4.480 -0.003 0.000 0.266 461 M C 2.024 178.412 176.300 0.148 0.000 1.079 461 M CA 0.824 56.200 55.300 0.125 0.000 1.146 461 M CB -0.493 32.166 32.600 0.099 0.000 1.374 461 M HN 0.017 nan 8.290 nan 0.000 0.435 462 E N 0.431 120.691 120.200 0.101 0.000 2.075 462 E HA -0.002 4.347 4.350 -0.003 0.000 0.190 462 E C 2.133 178.781 176.600 0.079 0.000 0.969 462 E CA 0.390 56.825 56.400 0.059 0.000 0.815 462 E CB 0.402 30.108 29.700 0.010 0.000 0.776 462 E HN 0.311 nan 8.360 nan 0.000 0.457 463 L N 0.496 121.756 121.223 0.062 0.000 2.156 463 L HA -0.061 4.278 4.340 -0.003 0.000 0.208 463 L C 1.886 178.758 176.870 0.003 0.000 1.095 463 L CA 1.042 55.892 54.840 0.018 0.000 0.770 463 L CB 0.100 42.140 42.059 -0.032 0.000 0.914 463 L HN 0.223 nan 8.230 nan 0.000 0.439 464 I N -2.707 117.885 120.570 0.036 0.000 4.228 464 I HA -0.101 4.067 4.170 -0.003 0.000 0.298 464 I C 1.652 177.842 176.117 0.121 0.000 1.206 464 I CA -0.068 61.255 61.300 0.039 0.000 1.322 464 I CB 0.477 38.473 38.000 -0.006 0.000 1.411 464 I HN 0.026 nan 8.210 nan 0.000 0.454 465 L N 0.875 122.188 121.223 0.150 0.000 1.993 465 L HA -0.123 4.215 4.340 -0.003 0.000 0.206 465 L C 2.362 179.337 176.870 0.176 0.000 1.074 465 L CA 2.268 57.200 54.840 0.154 0.000 0.746 465 L CB -1.263 40.868 42.059 0.121 0.000 0.896 465 L HN 0.241 nan 8.230 nan 0.000 0.435 466 H N 0.370 119.543 119.070 0.173 0.000 2.266 466 H HA -0.191 4.363 4.556 -0.003 0.000 0.286 466 H C -0.844 174.620 175.328 0.226 0.000 1.102 466 H CA 3.564 59.773 56.048 0.267 0.000 1.182 466 H CB -1.329 28.555 29.762 0.202 0.000 1.345 466 H HN 0.314 nan 8.280 nan 0.000 0.485 467 P HA -0.162 nan 4.420 nan 0.000 0.219 467 P C 1.501 178.869 177.300 0.113 0.000 1.146 467 P CA 1.655 64.873 63.100 0.196 0.000 0.808 467 P CB -0.101 31.696 31.700 0.163 0.000 0.779 468 M N -0.969 118.693 119.600 0.104 0.000 2.059 468 M HA -0.141 4.338 4.480 -0.003 0.000 0.259 468 M C 1.996 178.315 176.300 0.030 0.000 1.072 468 M CA 1.768 57.121 55.300 0.088 0.000 1.117 468 M CB -0.899 31.804 32.600 0.172 0.000 1.320 468 M HN -0.247 nan 8.290 nan 0.000 0.408 469 V N 0.026 119.903 119.914 -0.062 0.000 2.332 469 V HA -0.301 3.817 4.120 -0.003 0.000 0.248 469 V C 2.102 178.062 176.094 -0.224 0.000 1.055 469 V CA 2.175 64.303 62.300 -0.286 0.000 1.038 469 V CB -0.912 30.422 31.823 -0.814 0.000 0.651 469 V HN 0.522 nan 8.190 nan 0.000 0.450 470 E N 0.277 120.425 120.200 -0.087 0.000 2.004 470 E HA -0.199 4.149 4.350 -0.003 0.000 0.193 470 E C 1.843 178.475 176.600 0.053 0.000 0.985 470 E CA 1.404 57.840 56.400 0.059 0.000 0.832 470 E CB -0.099 29.716 29.700 0.192 0.000 0.787 470 E HN 0.588 nan 8.360 nan 0.000 0.466 471 D N -0.739 119.704 120.400 0.073 0.000 2.347 471 D HA 0.026 4.664 4.640 -0.003 0.000 0.215 471 D C 0.653 176.975 176.300 0.037 0.000 0.976 471 D CA 0.972 55.009 54.000 0.062 0.000 0.884 471 D CB 0.100 40.947 40.800 0.079 0.000 0.915 471 D HN 0.425 nan 8.370 nan 0.000 0.526 472 G N 1.218 110.031 108.800 0.023 0.000 2.351 472 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.297 472 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.297 472 G C -0.024 174.881 174.900 0.009 0.000 1.054 472 G CA 0.405 45.508 45.100 0.006 0.000 1.123 472 G HN 0.325 nan 8.290 nan 0.000 0.512 473 K N -0.667 119.746 120.400 0.022 0.000 2.625 473 K HA 0.325 4.643 4.320 -0.003 0.000 0.284 473 K C -0.263 176.360 176.600 0.038 0.000 0.984 473 K CA -0.780 55.523 56.287 0.027 0.000 0.865 473 K CB 1.791 34.318 32.500 0.045 0.000 1.468 473 K HN 0.459 nan 8.250 nan 0.000 0.407 474 E N 0.827 121.049 120.200 0.037 0.000 2.248 474 E HA 0.583 4.931 4.350 -0.003 0.000 0.272 474 E C -0.527 176.109 176.600 0.059 0.000 1.008 474 E CA -1.013 55.418 56.400 0.051 0.000 0.856 474 E CB 1.435 31.166 29.700 0.052 0.000 1.120 474 E HN 0.585 nan 8.360 nan 0.000 0.397 475 A N 3.991 126.847 122.820 0.059 0.000 2.583 475 A HA 0.026 4.345 4.320 -0.003 0.000 0.249 475 A C 0.069 177.671 177.584 0.031 0.000 1.035 475 A CA 0.341 52.405 52.037 0.045 0.000 0.777 475 A CB -0.497 18.504 19.000 0.002 0.000 0.942 475 A HN 0.616 nan 8.150 nan 0.000 0.516 476 I N 1.929 122.520 120.570 0.035 0.000 2.664 476 I HA 0.629 4.797 4.170 -0.003 0.000 0.308 476 I C 1.026 177.054 176.117 -0.149 0.000 0.984 476 I CA 0.142 61.427 61.300 -0.024 0.000 1.213 476 I CB 2.094 40.102 38.000 0.014 0.000 1.379 476 I HN 0.787 nan 8.210 nan 0.000 0.501 477 G N 2.262 110.882 108.800 -0.300 0.000 2.815 477 G HA2 0.699 4.658 3.960 -0.003 0.000 0.305 477 G HA3 0.699 4.658 3.960 -0.003 0.000 0.305 477 G C -1.441 173.184 174.900 -0.458 0.000 1.277 477 G CA -0.171 44.671 45.100 -0.430 0.000 0.795 477 G HN 0.689 nan 8.290 nan 0.000 0.528 478 S N -2.073 113.514 115.700 -0.188 0.000 2.611 478 S HA 0.689 5.157 4.470 -0.003 0.000 0.268 478 S C -0.737 173.874 174.600 0.018 0.000 1.156 478 S CA -0.305 57.856 58.200 -0.065 0.000 0.817 478 S CB 1.763 64.961 63.200 -0.004 0.000 1.122 478 S HN 1.895 nan 8.310 nan 0.000 0.466 479 M N 0.295 119.912 119.600 0.029 0.000 7.110 479 M HA 0.052 4.530 4.480 -0.003 0.000 0.157 479 M C 0.591 176.919 176.300 0.046 0.000 0.634 479 M CA 1.198 56.521 55.300 0.039 0.000 1.295 479 M CB -1.604 31.020 32.600 0.040 0.000 0.556 479 M HN 1.544 nan 8.290 nan 0.000 0.190 480 G N 1.142 109.982 108.800 0.067 0.000 2.583 480 G HA2 0.347 4.305 3.960 -0.003 0.000 0.275 480 G HA3 0.347 4.305 3.960 -0.003 0.000 0.275 480 G C -0.467 174.457 174.900 0.039 0.000 1.342 480 G CA 0.280 45.416 45.100 0.060 0.000 1.030 480 G HN 0.881 nan 8.290 nan 0.000 0.520 481 D N -0.496 119.902 120.400 -0.004 0.000 2.467 481 D HA 0.138 4.776 4.640 -0.003 0.000 0.220 481 D C 0.139 176.398 176.300 -0.068 0.000 1.103 481 D CA -0.720 53.228 54.000 -0.087 0.000 0.886 481 D CB 0.806 41.516 40.800 -0.150 0.000 1.025 481 D HN 0.283 nan 8.370 nan 0.000 0.514 482 D N 1.727 122.121 120.400 -0.009 0.000 2.460 482 D HA 0.007 4.645 4.640 -0.003 0.000 0.229 482 D C -0.326 175.844 176.300 -0.218 0.000 1.170 482 D CA -0.369 53.615 54.000 -0.027 0.000 0.827 482 D CB -0.214 40.662 40.800 0.127 0.000 0.973 482 D HN 0.138 nan 8.370 nan 0.000 0.496 483 S N -0.139 115.329 115.700 -0.387 0.000 2.686 483 S HA 0.553 5.022 4.470 -0.003 0.000 0.270 483 S C -2.383 172.037 174.600 -0.300 0.000 1.194 483 S CA -1.234 56.651 58.200 -0.525 0.000 0.990 483 S CB 0.666 63.473 63.200 -0.655 0.000 1.029 483 S HN -0.006 nan 8.310 nan 0.000 0.560 484 P HA 0.224 nan 4.420 nan 0.000 0.272 484 P C -0.454 176.748 177.300 -0.163 0.000 1.254 484 P CA -0.474 62.520 63.100 -0.177 0.000 0.795 484 P CB 0.148 31.762 31.700 -0.144 0.000 1.022 485 I N -2.506 117.970 120.570 -0.156 0.000 2.396 485 I HA 0.474 4.642 4.170 -0.003 0.000 0.292 485 I C 1.254 177.248 176.117 -0.205 0.000 0.999 485 I CA -0.758 60.445 61.300 -0.161 0.000 1.310 485 I CB 1.180 39.089 38.000 -0.152 0.000 1.404 485 I HN 0.302 nan 8.210 nan 0.000 0.496 486 A N 5.499 128.150 122.820 -0.282 0.000 1.909 486 A HA -0.224 4.095 4.320 -0.003 0.000 0.221 486 A C 2.099 179.444 177.584 -0.399 0.000 1.223 486 A CA 3.156 54.924 52.037 -0.449 0.000 0.658 486 A CB -1.468 17.052 19.000 -0.800 0.000 0.831 486 A HN 0.913 nan 8.150 nan 0.000 0.462 487 V N -1.261 118.442 119.914 -0.353 0.000 2.380 487 V HA -0.263 3.855 4.120 -0.003 0.000 0.251 487 V C 2.354 178.420 176.094 -0.046 0.000 1.063 487 V CA 2.028 64.292 62.300 -0.060 0.000 1.055 487 V CB -1.115 30.738 31.823 0.049 0.000 0.657 487 V HN 0.517 nan 8.190 nan 0.000 0.455 488 L N 0.567 121.738 121.223 -0.086 0.000 2.478 488 L HA 0.058 4.397 4.340 -0.003 0.000 0.223 488 L C 1.696 178.526 176.870 -0.067 0.000 1.140 488 L CA 0.437 55.237 54.840 -0.067 0.000 0.842 488 L CB -0.251 41.756 42.059 -0.088 0.000 0.953 488 L HN 0.394 nan 8.230 nan 0.000 0.452 489 S N -0.056 115.588 115.700 -0.094 0.000 2.569 489 S HA -0.133 4.336 4.470 -0.003 0.000 0.274 489 S C 0.871 175.452 174.600 -0.032 0.000 1.353 489 S CA -0.116 58.038 58.200 -0.076 0.000 1.023 489 S CB 0.852 63.988 63.200 -0.107 0.000 0.876 489 S HN 0.267 nan 8.310 nan 0.000 0.540 490 D N 1.239 121.631 120.400 -0.014 0.000 2.367 490 D HA 0.202 4.840 4.640 -0.003 0.000 0.207 490 D C -0.263 176.060 176.300 0.039 0.000 1.034 490 D CA 0.620 54.629 54.000 0.015 0.000 0.861 490 D CB 0.224 41.034 40.800 0.017 0.000 0.943 490 D HN 0.404 nan 8.370 nan 0.000 0.515 491 K N 0.505 120.925 120.400 0.033 0.000 2.507 491 K HA 0.069 4.387 4.320 -0.003 0.000 0.252 491 K C -1.149 175.503 176.600 0.087 0.000 0.943 491 K CA -1.057 55.275 56.287 0.075 0.000 0.808 491 K CB 1.910 34.455 32.500 0.075 0.000 1.142 491 K HN -0.040 nan 8.250 nan 0.000 0.426 492 Y N 3.719 124.042 120.300 0.040 0.000 2.914 492 Y HA -0.284 4.264 4.550 -0.002 0.000 0.381 492 Y C -0.566 175.341 175.900 0.012 0.000 1.223 492 Y CA 1.145 59.282 58.100 0.061 0.000 1.612 492 Y CB 0.263 38.782 38.460 0.099 0.000 1.092 492 Y HN 0.385 nan 8.280 nan 0.000 0.549 493 R N 4.408 124.534 120.500 -0.624 0.000 2.750 493 R HA 0.554 4.892 4.340 -0.003 0.000 0.281 493 R C -0.083 175.865 176.300 -0.587 0.000 0.972 493 R CA -0.479 55.260 56.100 -0.602 0.000 0.912 493 R CB 1.877 31.811 30.300 -0.611 0.000 1.187 493 R HN 0.864 nan 8.270 nan 0.000 0.464 494 G N 1.065 109.840 108.800 -0.041 0.000 2.425 494 G HA2 0.271 4.230 3.960 -0.003 0.000 0.302 494 G HA3 0.271 4.230 3.960 -0.003 0.000 0.302 494 G C 0.936 176.089 174.900 0.421 0.000 1.159 494 G CA -0.566 44.683 45.100 0.249 0.000 0.865 494 G HN 0.362 nan 8.290 nan 0.000 0.515 495 L N 1.471 122.872 121.223 0.298 0.000 2.082 495 L HA -0.264 4.075 4.340 -0.003 0.000 0.223 495 L C 2.981 180.094 176.870 0.405 0.000 1.086 495 L CA 2.444 57.440 54.840 0.259 0.000 0.793 495 L CB -0.896 41.213 42.059 0.084 0.000 0.896 495 L HN 0.854 nan 8.230 nan 0.000 0.441 496 H N -2.254 116.869 119.070 0.089 0.000 2.492 496 H HA -0.186 4.368 4.556 -0.003 0.000 0.296 496 H C 2.023 177.479 175.328 0.213 0.000 1.095 496 H CA 1.808 57.851 56.048 -0.008 0.000 1.281 496 H CB -1.011 28.579 29.762 -0.286 0.000 1.374 496 H HN 0.555 nan 8.280 nan 0.000 0.545 497 H N 0.204 119.127 119.070 -0.244 0.000 2.353 497 H HA -0.084 4.470 4.556 -0.003 0.000 0.300 497 H C 1.563 176.905 175.328 0.023 0.000 1.090 497 H CA 1.549 57.525 56.048 -0.119 0.000 1.327 497 H CB -0.187 29.444 29.762 -0.218 0.000 1.383 497 H HN 0.368 nan 8.280 nan 0.000 0.508 498 F N -0.219 119.775 119.950 0.073 0.000 2.502 498 F HA -0.007 4.518 4.527 -0.003 0.000 0.298 498 F C 0.580 176.249 175.800 -0.218 0.000 1.111 498 F CA 0.197 58.144 58.000 -0.089 0.000 1.445 498 F CB -0.351 38.508 39.000 -0.236 0.000 1.081 498 F HN -0.104 nan 8.300 nan 0.000 0.558 499 F N 2.324 122.381 119.950 0.179 0.000 2.404 499 F HA 0.332 4.858 4.527 -0.003 0.000 0.358 499 F C 0.682 176.699 175.800 0.362 0.000 1.120 499 F CA -0.994 57.090 58.000 0.140 0.000 1.144 499 F CB 0.345 39.229 39.000 -0.194 0.000 1.133 499 F HN -0.285 nan 8.300 nan 0.000 0.495 500 R N 3.444 124.214 120.500 0.450 0.000 2.349 500 R HA 0.251 4.589 4.340 -0.003 0.000 0.299 500 R C -0.349 176.287 176.300 0.560 0.000 1.027 500 R CA -0.696 55.689 56.100 0.475 0.000 0.958 500 R CB 0.561 31.031 30.300 0.283 0.000 1.047 500 R HN 0.672 nan 8.270 nan 0.000 0.468 501 Q N 1.937 122.077 119.800 0.567 0.000 2.337 501 Q HA 0.119 4.457 4.340 -0.003 0.000 0.270 501 Q C -0.205 175.940 176.000 0.242 0.000 1.002 501 Q CA -0.087 55.915 55.803 0.332 0.000 0.888 501 Q CB 0.482 29.462 28.738 0.403 0.000 1.222 501 Q HN 0.333 nan 8.270 nan 0.000 0.400 502 N N 1.432 120.146 118.700 0.022 0.000 2.434 502 N HA 0.610 5.348 4.740 -0.003 0.000 0.266 502 N C -0.722 174.914 175.510 0.210 0.000 1.223 502 N CA -0.270 52.797 53.050 0.027 0.000 0.972 502 N CB 0.628 39.018 38.487 -0.161 0.000 1.207 502 N HN 0.536 nan 8.380 nan 0.000 0.525 503 F N -3.004 116.945 119.950 -0.002 0.000 2.858 503 F HA 0.577 5.102 4.527 -0.003 0.000 0.319 503 F C -0.821 174.990 175.800 0.019 0.000 1.166 503 F CA -1.334 56.678 58.000 0.020 0.000 0.899 503 F CB 0.615 39.639 39.000 0.039 0.000 1.332 503 F HN 0.336 nan 8.300 nan 0.000 0.461 504 S N -0.265 115.563 115.700 0.215 0.000 2.532 504 S HA 0.638 5.106 4.470 -0.003 0.000 0.301 504 S C -0.647 174.032 174.600 0.131 0.000 1.083 504 S CA -0.392 57.830 58.200 0.037 0.000 1.025 504 S CB 2.516 65.731 63.200 0.026 0.000 1.056 504 S HN 0.884 nan 8.310 nan 0.000 0.494 505 Q N 1.122 120.939 119.800 0.030 0.000 2.627 505 Q HA 0.363 4.701 4.340 -0.003 0.000 0.201 505 Q C 1.029 177.050 176.000 0.035 0.000 0.912 505 Q CA 0.250 56.099 55.803 0.077 0.000 0.877 505 Q CB 0.249 29.027 28.738 0.068 0.000 1.125 505 Q HN 0.632 nan 8.270 nan 0.000 0.637 506 V N -0.488 119.423 119.914 -0.006 0.000 3.562 506 V HA 0.002 4.121 4.120 -0.003 0.000 0.270 506 V C 1.603 177.678 176.094 -0.031 0.000 1.418 506 V CA 0.738 63.023 62.300 -0.024 0.000 1.033 506 V CB 0.935 32.726 31.823 -0.054 0.000 0.820 506 V HN 0.359 nan 8.190 nan 0.000 0.441 507 T N 2.227 116.763 114.554 -0.030 0.000 2.622 507 T HA -0.086 4.263 4.350 -0.003 0.000 0.266 507 T C 0.814 175.516 174.700 0.003 0.000 1.047 507 T CA 1.913 63.995 62.100 -0.029 0.000 1.159 507 T CB -0.176 68.675 68.868 -0.029 0.000 0.863 507 T HN 0.682 nan 8.240 nan 0.000 0.422 508 N N 0.952 119.670 118.700 0.030 0.000 2.357 508 N HA 0.358 5.097 4.740 -0.003 0.000 0.284 508 N C -3.465 172.108 175.510 0.105 0.000 1.236 508 N CA -2.001 51.090 53.050 0.069 0.000 0.774 508 N CB 1.867 40.386 38.487 0.054 0.000 1.534 508 N HN 0.064 nan 8.380 nan 0.000 0.478 509 P HA 0.463 nan 4.420 nan 0.000 0.284 509 P C -2.908 174.472 177.300 0.134 0.000 1.258 509 P CA -1.299 61.919 63.100 0.197 0.000 0.824 509 P CB 1.077 33.020 31.700 0.404 0.000 1.038 510 P HA 0.457 nan 4.420 nan 0.000 0.285 510 P C -0.174 177.190 177.300 0.106 0.000 1.269 510 P CA -0.567 62.598 63.100 0.108 0.000 0.844 510 P CB 0.902 32.669 31.700 0.111 0.000 1.094 511 I N -0.056 120.573 120.570 0.097 0.000 3.062 511 I HA 0.277 4.445 4.170 -0.003 0.000 0.318 511 I C 0.684 176.874 176.117 0.121 0.000 1.026 511 I CA -0.455 60.911 61.300 0.110 0.000 1.096 511 I CB 0.608 38.658 38.000 0.083 0.000 1.348 511 I HN 0.187 nan 8.210 nan 0.000 0.543 512 D N 1.505 121.998 120.400 0.155 0.000 2.396 512 D HA 0.095 4.733 4.640 -0.003 0.000 0.225 512 D C 0.718 177.080 176.300 0.103 0.000 1.121 512 D CA -0.012 54.085 54.000 0.162 0.000 0.853 512 D CB 1.112 42.063 40.800 0.252 0.000 1.043 512 D HN 0.586 nan 8.370 nan 0.000 0.500 513 S N 2.754 118.501 115.700 0.078 0.000 2.607 513 S HA -0.005 4.464 4.470 -0.003 0.000 0.224 513 S C 1.681 176.306 174.600 0.042 0.000 0.969 513 S CA 0.057 58.286 58.200 0.049 0.000 0.927 513 S CB 0.072 63.290 63.200 0.031 0.000 0.772 513 S HN 0.475 nan 8.310 nan 0.000 0.533 514 L N 0.605 121.863 121.223 0.058 0.000 2.327 514 L HA 0.269 4.607 4.340 -0.003 0.000 0.192 514 L C 2.763 179.645 176.870 0.019 0.000 1.158 514 L CA 0.204 55.068 54.840 0.040 0.000 0.813 514 L CB -0.513 41.579 42.059 0.054 0.000 1.021 514 L HN 0.122 nan 8.230 nan 0.000 0.481 515 R N 0.732 121.240 120.500 0.012 0.000 2.249 515 R HA -0.122 4.216 4.340 -0.003 0.000 0.230 515 R C 0.616 176.888 176.300 -0.047 0.000 1.121 515 R CA 1.036 57.094 56.100 -0.070 0.000 0.997 515 R CB -0.220 29.943 30.300 -0.228 0.000 0.867 515 R HN 0.488 nan 8.270 nan 0.000 0.465 516 E N -0.086 120.118 120.200 0.006 0.000 2.789 516 E HA 0.116 4.465 4.350 -0.003 0.000 0.208 516 E C 0.753 177.363 176.600 0.017 0.000 0.988 516 E CA -0.262 56.146 56.400 0.014 0.000 1.092 516 E CB 0.604 30.330 29.700 0.043 0.000 1.066 516 E HN 0.139 nan 8.360 nan 0.000 0.465 517 R N 1.234 121.740 120.500 0.010 0.000 2.159 517 R HA -0.081 4.257 4.340 -0.003 0.000 0.237 517 R C 1.808 178.110 176.300 0.003 0.000 1.131 517 R CA 1.098 57.203 56.100 0.007 0.000 0.982 517 R CB 0.092 30.394 30.300 0.002 0.000 0.868 517 R HN 0.120 nan 8.270 nan 0.000 0.453 518 R N -0.167 120.334 120.500 0.002 0.000 2.200 518 R HA -0.097 4.241 4.340 -0.003 0.000 0.234 518 R C 1.861 178.164 176.300 0.005 0.000 1.127 518 R CA 1.490 57.590 56.100 0.001 0.000 0.989 518 R CB 0.036 30.336 30.300 -0.000 0.000 0.869 518 R HN 0.191 nan 8.270 nan 0.000 0.459 519 V N -1.690 118.231 119.914 0.010 0.000 3.608 519 V HA 0.089 4.207 4.120 -0.003 0.000 0.269 519 V C 1.373 177.473 176.094 0.010 0.000 1.245 519 V CA 0.408 62.715 62.300 0.012 0.000 1.138 519 V CB -0.382 31.452 31.823 0.018 0.000 0.841 519 V HN 0.071 nan 8.190 nan 0.000 0.451 520 M N 0.673 120.277 119.600 0.007 0.000 2.066 520 M HA 0.578 5.056 4.480 -0.003 0.000 0.203 520 M C 0.293 176.591 176.300 -0.003 0.000 1.145 520 M CA 0.238 55.541 55.300 0.004 0.000 1.084 520 M CB 1.203 33.805 32.600 0.002 0.000 1.177 520 M HN 0.359 nan 8.290 nan 0.000 0.588 521 S N -0.775 114.919 115.700 -0.010 0.000 2.744 521 S HA 0.288 4.757 4.470 -0.003 0.000 0.284 521 S C -1.294 173.293 174.600 -0.021 0.000 0.979 521 S CA -0.772 57.419 58.200 -0.016 0.000 0.870 521 S CB 0.421 63.613 63.200 -0.013 0.000 1.094 521 S HN 0.668 nan 8.310 nan 0.000 0.458 522 L N 2.890 124.097 121.223 -0.026 0.000 3.229 522 L HA 0.333 4.672 4.340 -0.003 0.000 0.286 522 L C 0.377 177.232 176.870 -0.024 0.000 1.239 522 L CA -0.563 54.262 54.840 -0.024 0.000 1.035 522 L CB 0.202 42.243 42.059 -0.030 0.000 1.408 522 L HN 0.537 nan 8.230 nan 0.000 0.593 523 K N 1.526 121.906 120.400 -0.034 0.000 2.518 523 K HA 0.171 4.489 4.320 -0.003 0.000 0.276 523 K C -0.029 176.546 176.600 -0.042 0.000 0.974 523 K CA 0.568 56.825 56.287 -0.051 0.000 0.986 523 K CB 0.638 33.097 32.500 -0.067 0.000 0.901 523 K HN -0.068 nan 8.250 nan 0.000 0.497 524 T N 2.201 116.724 114.554 -0.051 0.000 2.909 524 T HA 0.434 4.783 4.350 -0.003 0.000 0.299 524 T C -0.730 173.940 174.700 -0.051 0.000 1.073 524 T CA -0.856 61.222 62.100 -0.036 0.000 0.999 524 T CB 1.557 70.416 68.868 -0.014 0.000 1.098 524 T HN 0.427 nan 8.240 nan 0.000 0.477 525 R N 1.574 122.048 120.500 -0.044 0.000 2.538 525 R HA 0.582 4.920 4.340 -0.003 0.000 0.292 525 R C -1.649 174.644 176.300 -0.012 0.000 1.008 525 R CA -0.891 55.185 56.100 -0.040 0.000 0.896 525 R CB 1.361 31.628 30.300 -0.055 0.000 1.187 525 R HN 0.269 nan 8.270 nan 0.000 0.440 526 L N 1.484 122.722 121.223 0.024 0.000 2.296 526 L HA 0.570 4.909 4.340 -0.003 0.000 0.286 526 L C 0.968 177.884 176.870 0.078 0.000 1.023 526 L CA -0.269 54.623 54.840 0.087 0.000 0.812 526 L CB 1.611 43.787 42.059 0.195 0.000 1.223 526 L HN 0.859 nan 8.230 nan 0.000 0.421 527 G N 2.257 111.074 108.800 0.028 0.000 2.368 527 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.290 527 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.290 527 G C 0.176 175.079 174.900 0.004 0.000 1.098 527 G CA 0.287 45.392 45.100 0.007 0.000 1.073 527 G HN 0.907 nan 8.290 nan 0.000 0.511 528 N N -0.366 118.319 118.700 -0.025 0.000 2.365 528 N HA 0.128 4.866 4.740 -0.003 0.000 0.257 528 N C 0.280 175.763 175.510 -0.044 0.000 1.287 528 N CA -0.427 52.604 53.050 -0.032 0.000 0.882 528 N CB 0.320 38.779 38.487 -0.046 0.000 1.250 528 N HN 0.400 nan 8.380 nan 0.000 0.507 529 L N 1.187 122.388 121.223 -0.038 0.000 2.475 529 L HA 0.494 4.832 4.340 -0.003 0.000 0.253 529 L C 0.740 177.599 176.870 -0.018 0.000 1.137 529 L CA -0.362 54.461 54.840 -0.028 0.000 1.058 529 L CB 0.750 42.765 42.059 -0.073 0.000 1.382 529 L HN 0.277 nan 8.230 nan 0.000 0.416 530 G N 1.242 110.040 108.800 -0.002 0.000 2.667 530 G HA2 0.036 3.995 3.960 -0.003 0.000 0.209 530 G HA3 0.036 3.995 3.960 -0.003 0.000 0.209 530 G C -0.055 174.853 174.900 0.014 0.000 1.963 530 G CA -0.146 44.961 45.100 0.011 0.000 0.728 530 G HN 0.345 nan 8.290 nan 0.000 0.807 531 N N 1.715 120.423 118.700 0.012 0.000 2.707 531 N HA 0.178 4.916 4.740 -0.003 0.000 0.235 531 N C 1.759 177.265 175.510 -0.006 0.000 1.028 531 N CA -0.296 52.767 53.050 0.022 0.000 0.906 531 N CB 1.212 39.728 38.487 0.048 0.000 1.131 531 N HN 0.456 nan 8.380 nan 0.000 0.509 532 I N 0.409 120.937 120.570 -0.070 0.000 2.597 532 I HA -0.249 3.919 4.170 -0.003 0.000 0.262 532 I C 1.162 177.275 176.117 -0.007 0.000 1.194 532 I CA 1.258 62.487 61.300 -0.117 0.000 1.437 532 I CB -0.028 37.832 38.000 -0.233 0.000 1.096 532 I HN 0.350 nan 8.210 nan 0.000 0.451 533 L N 0.305 121.562 121.223 0.057 0.000 2.240 533 L HA 0.073 4.411 4.340 -0.003 0.000 0.211 533 L C 1.101 178.068 176.870 0.161 0.000 1.106 533 L CA 0.449 55.367 54.840 0.130 0.000 0.793 533 L CB -0.578 41.599 42.059 0.198 0.000 0.927 533 L HN 0.258 nan 8.230 nan 0.000 0.446 534 D N 1.044 121.510 120.400 0.109 0.000 2.368 534 D HA -0.019 4.619 4.640 -0.003 0.000 0.240 534 D C 0.128 176.532 176.300 0.173 0.000 1.169 534 D CA 0.513 54.570 54.000 0.096 0.000 0.906 534 D CB 1.090 41.927 40.800 0.062 0.000 1.187 534 D HN 0.099 nan 8.370 nan 0.000 0.435 535 E N 1.608 121.918 120.200 0.183 0.000 3.626 535 E HA 0.149 4.498 4.350 -0.003 0.000 0.245 535 E C -1.659 175.119 176.600 0.296 0.000 1.236 535 E CA -0.671 55.924 56.400 0.325 0.000 1.072 535 E CB 0.115 29.992 29.700 0.296 0.000 1.309 535 E HN 0.357 nan 8.360 nan 0.000 0.400 536 D N -0.014 120.452 120.400 0.109 0.000 2.575 536 D HA 0.048 4.686 4.640 -0.003 0.000 0.236 536 D C 0.914 176.698 176.300 -0.859 0.000 1.075 536 D CA -0.708 53.110 54.000 -0.303 0.000 0.860 536 D CB 1.388 42.075 40.800 -0.189 0.000 1.475 536 D HN 0.270 nan 8.370 nan 0.000 0.474 537 E N 0.458 119.390 120.200 -2.113 0.000 2.333 537 E HA -0.276 4.072 4.350 -0.003 0.000 0.200 537 E C 1.144 177.368 176.600 -0.627 0.000 1.010 537 E CA 1.454 56.740 56.400 -1.857 0.000 0.841 537 E CB -0.447 28.050 29.700 -2.006 0.000 0.757 537 E HN 0.405 nan 8.360 nan 0.000 0.508 538 T N -0.268 114.028 114.554 -0.430 0.000 3.155 538 T HA -0.075 4.274 4.350 -0.003 0.000 0.264 538 T C 1.242 175.889 174.700 -0.087 0.000 1.160 538 T CA 0.896 62.877 62.100 -0.199 0.000 1.075 538 T CB -0.218 68.565 68.868 -0.141 0.000 0.921 538 T HN 0.350 nan 8.240 nan 0.000 0.533 539 Q N -0.544 119.227 119.800 -0.048 0.000 2.360 539 Q HA 0.077 4.416 4.340 -0.003 0.000 0.202 539 Q C 1.504 177.555 176.000 0.085 0.000 0.915 539 Q CA 0.636 56.471 55.803 0.054 0.000 0.943 539 Q CB 0.488 29.325 28.738 0.164 0.000 1.064 539 Q HN 0.412 nan 8.270 nan 0.000 0.511 540 T N -0.236 114.371 114.554 0.089 0.000 3.069 540 T HA 0.147 4.496 4.350 -0.003 0.000 0.252 540 T C 0.447 175.195 174.700 0.080 0.000 1.053 540 T CA -0.159 62.016 62.100 0.124 0.000 0.964 540 T CB 0.189 69.171 68.868 0.190 0.000 1.005 540 T HN 0.071 nan 8.240 nan 0.000 0.532 541 R N 2.494 123.020 120.500 0.044 0.000 2.878 541 R HA 0.431 4.770 4.340 -0.003 0.000 0.239 541 R C -0.848 175.486 176.300 0.057 0.000 1.515 541 R CA -0.135 55.993 56.100 0.046 0.000 1.210 541 R CB -0.599 29.715 30.300 0.024 0.000 1.209 541 R HN 0.308 nan 8.270 nan 0.000 0.610 542 L N -1.485 119.779 121.223 0.069 0.000 2.671 542 L HA 0.558 4.896 4.340 -0.003 0.000 0.259 542 L C -0.971 175.937 176.870 0.063 0.000 1.021 542 L CA -1.262 53.616 54.840 0.063 0.000 0.871 542 L CB 1.002 43.084 42.059 0.038 0.000 1.472 542 L HN 0.048 nan 8.230 nan 0.000 0.410 543 L N 0.656 121.905 121.223 0.043 0.000 2.379 543 L HA 0.682 5.020 4.340 -0.003 0.000 0.269 543 L C -0.171 176.681 176.870 -0.030 0.000 1.084 543 L CA -0.471 54.360 54.840 -0.015 0.000 0.802 543 L CB 1.165 43.165 42.059 -0.098 0.000 1.175 543 L HN 0.703 nan 8.230 nan 0.000 0.448 544 Q N 2.170 121.935 119.800 -0.059 0.000 2.271 544 Q HA 0.535 4.873 4.340 -0.003 0.000 0.268 544 Q C -1.453 174.472 176.000 -0.126 0.000 1.021 544 Q CA -0.431 55.309 55.803 -0.106 0.000 0.802 544 Q CB 2.672 31.298 28.738 -0.187 0.000 1.282 544 Q HN 0.598 nan 8.270 nan 0.000 0.431 545 L N 1.204 122.366 121.223 -0.103 0.000 2.492 545 L HA 0.472 4.810 4.340 -0.003 0.000 0.263 545 L C 0.800 177.618 176.870 -0.086 0.000 1.062 545 L CA -0.516 54.275 54.840 -0.082 0.000 0.817 545 L CB 0.991 43.018 42.059 -0.053 0.000 1.441 545 L HN 0.662 nan 8.230 nan 0.000 0.493 546 E N -0.363 119.801 120.200 -0.059 0.000 2.641 546 E HA 0.126 4.474 4.350 -0.003 0.000 0.224 546 E C -0.624 175.956 176.600 -0.033 0.000 0.951 546 E CA 0.131 56.498 56.400 -0.055 0.000 1.102 546 E CB 1.521 31.190 29.700 -0.051 0.000 1.091 546 E HN 0.435 nan 8.360 nan 0.000 0.507 547 S N 1.105 116.793 115.700 -0.019 0.000 2.543 547 S HA 0.276 4.745 4.470 -0.003 0.000 0.273 547 S C -2.465 172.151 174.600 0.026 0.000 1.152 547 S CA -1.111 57.088 58.200 -0.002 0.000 0.910 547 S CB 1.908 65.104 63.200 -0.008 0.000 1.105 547 S HN -0.242 nan 8.310 nan 0.000 0.465 548 P HA 0.027 nan 4.420 nan 0.000 0.236 548 P C 0.146 177.517 177.300 0.119 0.000 1.172 548 P CA 0.388 63.532 63.100 0.074 0.000 0.759 548 P CB -0.137 31.618 31.700 0.091 0.000 0.843 549 V N 1.880 121.868 119.914 0.123 0.000 2.432 549 V HA 0.202 4.320 4.120 -0.003 0.000 0.275 549 V C 0.506 176.691 176.094 0.151 0.000 1.043 549 V CA -0.219 62.193 62.300 0.186 0.000 0.925 549 V CB 1.081 32.967 31.823 0.106 0.000 0.985 549 V HN -0.052 nan 8.190 nan 0.000 0.466 550 L N 4.680 126.027 121.223 0.206 0.000 2.410 550 L HA 0.525 4.863 4.340 -0.003 0.000 0.270 550 L C 0.425 177.424 176.870 0.215 0.000 0.983 550 L CA -0.585 54.370 54.840 0.192 0.000 0.822 550 L CB 2.482 44.677 42.059 0.225 0.000 1.285 550 L HN 0.738 nan 8.230 nan 0.000 0.409 551 T N -2.363 112.294 114.554 0.171 0.000 2.899 551 T HA 0.078 4.427 4.350 -0.003 0.000 0.295 551 T C 1.185 175.974 174.700 0.149 0.000 1.033 551 T CA -0.390 61.803 62.100 0.154 0.000 1.084 551 T CB 1.181 70.113 68.868 0.108 0.000 0.979 551 T HN 0.638 nan 8.240 nan 0.000 0.532 552 T N 2.067 116.685 114.554 0.106 0.000 2.802 552 T HA -0.126 4.223 4.350 -0.003 0.000 0.269 552 T C 2.167 176.935 174.700 0.113 0.000 1.062 552 T CA 1.422 63.565 62.100 0.072 0.000 1.133 552 T CB -0.707 68.169 68.868 0.015 0.000 0.852 552 T HN 0.827 nan 8.240 nan 0.000 0.485 553 A N 2.643 125.520 122.820 0.095 0.000 1.823 553 A HA -0.170 4.149 4.320 -0.003 0.000 0.214 553 A C 2.240 179.898 177.584 0.122 0.000 1.227 553 A CA 1.707 53.797 52.037 0.087 0.000 0.616 553 A CB -0.872 18.162 19.000 0.056 0.000 0.874 553 A HN 0.683 nan 8.150 nan 0.000 0.455 554 E N -0.963 119.302 120.200 0.107 0.000 2.169 554 E HA -0.315 4.033 4.350 -0.003 0.000 0.202 554 E C 1.794 178.473 176.600 0.131 0.000 1.016 554 E CA 1.806 58.262 56.400 0.094 0.000 0.817 554 E CB -0.757 28.988 29.700 0.075 0.000 0.736 554 E HN 0.609 nan 8.360 nan 0.000 0.462 555 F N 2.550 122.515 119.950 0.026 0.000 2.046 555 F HA -0.144 4.381 4.527 -0.003 0.000 0.297 555 F C 2.387 178.192 175.800 0.008 0.000 1.123 555 F CA 1.919 59.931 58.000 0.020 0.000 1.199 555 F CB -0.221 38.800 39.000 0.035 0.000 0.972 555 F HN -0.210 nan 8.300 nan 0.000 0.474 556 R N 0.543 121.320 120.500 0.462 0.000 2.120 556 R HA -0.098 4.241 4.340 -0.003 0.000 0.234 556 R C 2.483 178.816 176.300 0.056 0.000 1.123 556 R CA 0.996 57.245 56.100 0.249 0.000 0.975 556 R CB -0.960 29.470 30.300 0.217 0.000 0.866 556 R HN 0.445 nan 8.270 nan 0.000 0.446 557 A N 1.619 124.471 122.820 0.054 0.000 1.869 557 A HA -0.296 4.023 4.320 -0.003 0.000 0.218 557 A C 2.197 179.776 177.584 -0.008 0.000 1.203 557 A CA 1.893 53.946 52.037 0.028 0.000 0.638 557 A CB -0.608 18.405 19.000 0.022 0.000 0.831 557 A HN 0.313 nan 8.150 nan 0.000 0.450 558 M N -1.404 118.136 119.600 -0.099 0.000 2.059 558 M HA -0.188 4.290 4.480 -0.003 0.000 0.259 558 M C 2.339 178.522 176.300 -0.195 0.000 1.072 558 M CA 2.327 57.517 55.300 -0.184 0.000 1.117 558 M CB -0.208 32.214 32.600 -0.296 0.000 1.320 558 M HN 0.459 nan 8.290 nan 0.000 0.408 559 R N 0.573 120.868 120.500 -0.341 0.000 2.332 559 R HA -0.185 4.153 4.340 -0.003 0.000 0.239 559 R C 0.864 177.110 176.300 -0.089 0.000 1.160 559 R CA 2.147 58.073 56.100 -0.290 0.000 1.020 559 R CB -0.501 29.579 30.300 -0.368 0.000 0.859 559 R HN 0.451 nan 8.270 nan 0.000 0.478 560 D N -1.113 119.271 120.400 -0.027 0.000 2.394 560 D HA -0.081 4.558 4.640 -0.003 0.000 0.237 560 D C 1.256 177.589 176.300 0.056 0.000 1.028 560 D CA 1.134 55.146 54.000 0.020 0.000 0.937 560 D CB -0.877 39.943 40.800 0.033 0.000 1.072 560 D HN 0.140 nan 8.370 nan 0.000 0.457 561 Y N 1.458 121.719 120.300 -0.066 0.000 2.265 561 Y HA -0.340 4.208 4.550 -0.003 0.000 0.280 561 Y C 1.903 177.764 175.900 -0.066 0.000 1.222 561 Y CA 1.610 59.675 58.100 -0.058 0.000 1.226 561 Y CB -0.255 38.165 38.460 -0.066 0.000 0.968 561 Y HN -0.030 nan 8.280 nan 0.000 0.540 562 M N -1.664 118.032 119.600 0.160 0.000 2.113 562 M HA 0.145 4.623 4.480 -0.003 0.000 0.252 562 M C 2.090 178.418 176.300 0.046 0.000 1.122 562 M CA 1.431 56.773 55.300 0.070 0.000 1.119 562 M CB -0.917 31.611 32.600 -0.119 0.000 1.235 562 M HN 0.348 nan 8.290 nan 0.000 0.432 563 G N 1.113 109.927 108.800 0.024 0.000 2.848 563 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.246 563 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.246 563 G C 0.226 175.147 174.900 0.035 0.000 1.374 563 G CA 0.211 45.323 45.100 0.020 0.000 0.982 563 G HN 0.561 nan 8.290 nan 0.000 0.563 564 D N 0.455 120.873 120.400 0.029 0.000 2.218 564 D HA -0.084 4.555 4.640 -0.003 0.000 0.204 564 D C 2.154 178.485 176.300 0.052 0.000 0.976 564 D CA 1.979 55.997 54.000 0.030 0.000 0.853 564 D CB -0.741 40.069 40.800 0.017 0.000 0.939 564 D HN 0.471 nan 8.370 nan 0.000 0.481 565 T N 0.496 115.099 114.554 0.081 0.000 3.007 565 T HA 0.130 4.479 4.350 -0.003 0.000 0.270 565 T C 1.089 175.895 174.700 0.176 0.000 1.107 565 T CA 0.769 62.950 62.100 0.136 0.000 1.118 565 T CB 0.025 69.031 68.868 0.231 0.000 0.889 565 T HN 0.336 nan 8.240 nan 0.000 0.506 566 A N 0.678 123.580 122.820 0.137 0.000 2.256 566 A HA 0.867 5.185 4.320 -0.003 0.000 0.318 566 A C -0.185 177.456 177.584 0.095 0.000 1.103 566 A CA -0.549 51.570 52.037 0.137 0.000 0.860 566 A CB 0.841 19.886 19.000 0.075 0.000 1.182 566 A HN 0.423 nan 8.150 nan 0.000 0.501 567 A N 0.238 123.115 122.820 0.095 0.000 2.486 567 A HA 0.682 5.000 4.320 -0.003 0.000 0.300 567 A C -0.937 176.692 177.584 0.076 0.000 1.048 567 A CA -0.493 51.588 52.037 0.073 0.000 0.696 567 A CB 1.143 20.182 19.000 0.064 0.000 1.278 567 A HN 0.759 nan 8.150 nan 0.000 0.405 568 E N 1.713 121.952 120.200 0.065 0.000 2.176 568 E HA 0.497 4.846 4.350 -0.003 0.000 0.267 568 E C -0.956 175.678 176.600 0.056 0.000 0.893 568 E CA -0.639 55.803 56.400 0.070 0.000 0.761 568 E CB 1.739 31.480 29.700 0.069 0.000 1.133 568 E HN 0.527 nan 8.360 nan 0.000 0.409 569 I N 1.500 122.105 120.570 0.059 0.000 2.493 569 I HA 0.183 4.351 4.170 -0.003 0.000 0.298 569 I C 0.076 176.222 176.117 0.049 0.000 0.998 569 I CA -0.940 60.387 61.300 0.046 0.000 1.137 569 I CB 1.312 39.334 38.000 0.037 0.000 1.310 569 I HN 0.493 nan 8.210 nan 0.000 0.445 570 D N 4.975 125.401 120.400 0.043 0.000 2.508 570 D HA 0.268 4.906 4.640 -0.003 0.000 0.224 570 D C 0.521 176.857 176.300 0.059 0.000 1.171 570 D CA -0.202 53.827 54.000 0.048 0.000 1.006 570 D CB 0.310 41.134 40.800 0.040 0.000 1.073 570 D HN 0.606 nan 8.370 nan 0.000 0.513 571 A N 3.423 126.283 122.820 0.068 0.000 3.076 571 A HA 0.334 4.652 4.320 -0.003 0.000 0.269 571 A C 0.347 178.000 177.584 0.115 0.000 1.916 571 A CA 0.058 52.142 52.037 0.079 0.000 1.492 571 A CB -0.378 18.665 19.000 0.072 0.000 1.000 571 A HN 0.422 nan 8.150 nan 0.000 0.615 572 T N 0.264 114.893 114.554 0.126 0.000 2.843 572 T HA 0.690 5.039 4.350 -0.003 0.000 0.302 572 T C -1.144 173.683 174.700 0.211 0.000 1.232 572 T CA -0.293 61.891 62.100 0.139 0.000 1.009 572 T CB 1.220 70.117 68.868 0.049 0.000 1.254 572 T HN 0.784 nan 8.240 nan 0.000 0.504 573 F N -0.538 119.391 119.950 -0.035 0.000 2.631 573 F HA 0.819 5.344 4.527 -0.003 0.000 0.308 573 F C -3.233 172.523 175.800 -0.073 0.000 1.097 573 F CA -3.010 54.962 58.000 -0.046 0.000 0.952 573 F CB -0.042 38.933 39.000 -0.043 0.000 1.307 573 F HN 0.238 nan 8.300 nan 0.000 0.450 574 P HA 0.174 nan 4.420 nan 0.000 0.270 574 P C 0.400 177.631 177.300 -0.115 0.000 1.227 574 P CA -0.175 62.882 63.100 -0.071 0.000 0.788 574 P CB 1.071 32.795 31.700 0.040 0.000 0.926 575 V N 0.503 120.341 119.914 -0.127 0.000 3.307 575 V HA -0.033 4.085 4.120 -0.003 0.000 0.244 575 V C 1.695 177.788 176.094 -0.001 0.000 1.196 575 V CA 1.004 63.245 62.300 -0.099 0.000 1.132 575 V CB -0.805 30.936 31.823 -0.136 0.000 0.875 575 V HN 0.560 nan 8.190 nan 0.000 0.468 576 D N 1.675 122.072 120.400 -0.005 0.000 2.351 576 D HA -0.129 4.510 4.640 -0.003 0.000 0.216 576 D C 2.052 178.373 176.300 0.036 0.000 0.968 576 D CA 1.300 55.309 54.000 0.016 0.000 0.899 576 D CB -0.256 40.549 40.800 0.008 0.000 0.907 576 D HN 0.401 nan 8.370 nan 0.000 0.514 577 G N 1.496 110.331 108.800 0.057 0.000 2.679 577 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.222 577 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.222 577 G C 0.986 175.925 174.900 0.064 0.000 1.164 577 G CA 1.684 46.833 45.100 0.081 0.000 0.769 577 G HN 0.889 nan 8.290 nan 0.000 0.610 578 G N -2.155 106.685 108.800 0.067 0.000 2.408 578 G HA2 0.132 4.091 3.960 -0.003 0.000 0.682 578 G HA3 0.132 4.091 3.960 -0.003 0.000 0.682 578 G C -1.901 173.030 174.900 0.052 0.000 1.303 578 G CA -0.053 45.077 45.100 0.051 0.000 0.966 578 G HN 0.093 nan 8.290 nan 0.000 0.560 579 P HA 0.035 nan 4.420 nan 0.000 0.221 579 P C 1.027 178.340 177.300 0.022 0.000 1.145 579 P CA 1.343 64.470 63.100 0.046 0.000 0.795 579 P CB 0.218 31.945 31.700 0.045 0.000 0.775 580 E N -1.415 118.791 120.200 0.010 0.000 2.499 580 E HA 0.243 4.592 4.350 -0.003 0.000 0.199 580 E C 1.620 178.193 176.600 -0.046 0.000 1.016 580 E CA -0.107 56.282 56.400 -0.017 0.000 0.933 580 E CB -0.211 29.485 29.700 -0.007 0.000 1.050 580 E HN 0.103 nan 8.360 nan 0.000 0.462 581 A N 1.505 124.307 122.820 -0.031 0.000 1.869 581 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 581 A C 2.139 179.587 177.584 -0.226 0.000 1.203 581 A CA 1.707 53.730 52.037 -0.023 0.000 0.638 581 A CB -0.601 18.482 19.000 0.137 0.000 0.831 581 A HN 0.316 nan 8.150 nan 0.000 0.450 582 L N -0.396 120.504 121.223 -0.537 0.000 2.141 582 L HA -0.090 4.248 4.340 -0.003 0.000 0.209 582 L C 2.360 179.014 176.870 -0.359 0.000 1.094 582 L CA 2.274 56.639 54.840 -0.793 0.000 0.763 582 L CB -0.647 40.858 42.059 -0.923 0.000 0.908 582 L HN 0.473 nan 8.230 nan 0.000 0.437 583 R N -0.089 120.282 120.500 -0.214 0.000 2.096 583 R HA -0.205 4.134 4.340 -0.003 0.000 0.229 583 R C 1.857 178.111 176.300 -0.078 0.000 1.134 583 R CA 2.369 58.403 56.100 -0.111 0.000 0.917 583 R CB -0.558 29.705 30.300 -0.062 0.000 0.832 583 R HN 0.465 nan 8.270 nan 0.000 0.430 584 D N 0.380 120.745 120.400 -0.059 0.000 2.190 584 D HA -0.167 4.472 4.640 -0.003 0.000 0.200 584 D C 1.671 177.951 176.300 -0.033 0.000 0.992 584 D CA 1.353 55.334 54.000 -0.031 0.000 0.854 584 D CB -0.251 40.539 40.800 -0.015 0.000 0.936 584 D HN 0.424 nan 8.370 nan 0.000 0.462 585 A N 0.574 123.358 122.820 -0.061 0.000 1.877 585 A HA -0.127 4.191 4.320 -0.003 0.000 0.216 585 A C 2.204 179.759 177.584 -0.048 0.000 1.186 585 A CA 0.999 53.014 52.037 -0.036 0.000 0.620 585 A CB -0.899 18.054 19.000 -0.078 0.000 0.822 585 A HN 0.242 nan 8.150 nan 0.000 0.443 586 L N -1.290 119.879 121.223 -0.089 0.000 2.131 586 L HA -0.176 4.162 4.340 -0.003 0.000 0.210 586 L C 2.852 179.692 176.870 -0.049 0.000 1.092 586 L CA 1.149 55.937 54.840 -0.086 0.000 0.759 586 L CB -0.338 41.645 42.059 -0.126 0.000 0.903 586 L HN 0.375 nan 8.230 nan 0.000 0.435 587 R N -0.571 119.910 120.500 -0.031 0.000 2.082 587 R HA -0.152 4.186 4.340 -0.003 0.000 0.228 587 R C 2.379 178.653 176.300 -0.043 0.000 1.140 587 R CA 1.372 57.459 56.100 -0.022 0.000 0.920 587 R CB -0.385 29.911 30.300 -0.006 0.000 0.828 587 R HN 0.148 nan 8.270 nan 0.000 0.430 588 R N 0.860 121.344 120.500 -0.027 0.000 2.191 588 R HA -0.266 4.073 4.340 -0.003 0.000 0.248 588 R C 2.412 178.690 176.300 -0.036 0.000 1.127 588 R CA 2.655 58.743 56.100 -0.021 0.000 0.943 588 R CB -0.805 29.492 30.300 -0.004 0.000 0.891 588 R HN 0.394 nan 8.270 nan 0.000 0.439 589 I N -1.694 118.854 120.570 -0.037 0.000 2.208 589 I HA -0.279 3.889 4.170 -0.003 0.000 0.245 589 I C 2.475 178.539 176.117 -0.088 0.000 1.097 589 I CA 1.570 62.846 61.300 -0.041 0.000 1.363 589 I CB -0.493 37.493 38.000 -0.024 0.000 1.051 589 I HN 0.093 nan 8.210 nan 0.000 0.413 590 R N 0.368 120.780 120.500 -0.146 0.000 2.094 590 R HA -0.252 4.086 4.340 -0.003 0.000 0.239 590 R C 2.524 178.601 176.300 -0.371 0.000 1.137 590 R CA 2.401 58.302 56.100 -0.333 0.000 0.943 590 R CB -0.389 29.693 30.300 -0.363 0.000 0.850 590 R HN 0.468 nan 8.270 nan 0.000 0.433 591 Q N 0.771 120.457 119.800 -0.190 0.000 1.993 591 Q HA -0.189 4.150 4.340 -0.003 0.000 0.202 591 Q C 1.668 177.641 176.000 -0.046 0.000 0.984 591 Q CA 2.130 57.884 55.803 -0.082 0.000 0.837 591 Q CB -0.051 28.671 28.738 -0.027 0.000 0.902 591 Q HN 0.368 nan 8.270 nan 0.000 0.423 592 E N -0.799 119.379 120.200 -0.036 0.000 2.114 592 E HA -0.222 4.127 4.350 -0.003 0.000 0.199 592 E C 1.906 178.502 176.600 -0.007 0.000 1.008 592 E CA 1.738 58.131 56.400 -0.012 0.000 0.810 592 E CB -0.348 29.350 29.700 -0.003 0.000 0.739 592 E HN 0.441 nan 8.360 nan 0.000 0.456 593 T N 0.968 115.506 114.554 -0.027 0.000 2.867 593 T HA -0.151 4.198 4.350 -0.003 0.000 0.268 593 T C 1.696 176.408 174.700 0.020 0.000 1.057 593 T CA 1.064 63.164 62.100 0.000 0.000 1.136 593 T CB -0.091 68.771 68.868 -0.010 0.000 0.874 593 T HN 0.232 nan 8.240 nan 0.000 0.466 594 E N 1.121 121.325 120.200 0.007 0.000 2.000 594 E HA -0.194 4.154 4.350 -0.003 0.000 0.199 594 E C 1.926 178.556 176.600 0.050 0.000 1.011 594 E CA 1.475 57.915 56.400 0.067 0.000 0.836 594 E CB -0.068 29.698 29.700 0.110 0.000 0.778 594 E HN 0.370 nan 8.360 nan 0.000 0.462 595 D N 0.485 120.906 120.400 0.034 0.000 2.321 595 D HA -0.318 4.320 4.640 -0.003 0.000 0.194 595 D C 1.815 178.128 176.300 0.020 0.000 1.013 595 D CA 1.707 55.721 54.000 0.024 0.000 0.863 595 D CB -0.976 39.834 40.800 0.017 0.000 1.011 595 D HN 0.330 nan 8.370 nan 0.000 0.457 596 A N 0.847 123.680 122.820 0.022 0.000 1.883 596 A HA -0.310 4.009 4.320 -0.003 0.000 0.222 596 A C 2.679 180.276 177.584 0.023 0.000 1.339 596 A CA 3.269 55.320 52.037 0.025 0.000 0.692 596 A CB -1.253 17.767 19.000 0.035 0.000 0.845 596 A HN 0.197 nan 8.150 nan 0.000 0.467 597 V N 0.025 119.962 119.914 0.038 0.000 2.392 597 V HA -0.285 3.833 4.120 -0.003 0.000 0.249 597 V C 2.740 178.827 176.094 -0.012 0.000 1.059 597 V CA 2.274 64.598 62.300 0.039 0.000 1.051 597 V CB -0.906 30.976 31.823 0.099 0.000 0.658 597 V HN 0.478 nan 8.190 nan 0.000 0.455 598 R N 0.317 120.814 120.500 -0.005 0.000 2.075 598 R HA -0.104 4.234 4.340 -0.003 0.000 0.230 598 R C 2.534 178.802 176.300 -0.052 0.000 1.140 598 R CA 1.593 57.670 56.100 -0.037 0.000 0.928 598 R CB -1.381 28.917 30.300 -0.004 0.000 0.834 598 R HN 0.554 nan 8.270 nan 0.000 0.429 599 G N -0.474 108.311 108.800 -0.025 0.000 2.605 599 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.222 599 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.222 599 G C 0.982 175.861 174.900 -0.034 0.000 1.092 599 G CA 1.653 46.739 45.100 -0.023 0.000 0.730 599 G HN 0.615 nan 8.290 nan 0.000 0.588 600 G N -1.802 106.968 108.800 -0.049 0.000 2.336 600 G HA2 0.246 4.204 3.960 -0.003 0.000 0.194 600 G HA3 0.246 4.204 3.960 -0.003 0.000 0.194 600 G C 0.574 175.453 174.900 -0.036 0.000 0.999 600 G CA 0.516 45.581 45.100 -0.059 0.000 0.669 600 G HN 1.434 nan 8.290 nan 0.000 0.482 601 A N 0.276 123.090 122.820 -0.011 0.000 2.586 601 A HA 0.526 4.844 4.320 -0.003 0.000 0.231 601 A C 1.229 178.810 177.584 -0.005 0.000 1.055 601 A CA 1.905 53.950 52.037 0.014 0.000 0.756 601 A CB 0.220 19.240 19.000 0.034 0.000 0.988 601 A HN 0.863 nan 8.150 nan 0.000 0.509 602 T N 1.832 116.368 114.554 -0.030 0.000 3.087 602 T HA 0.270 4.618 4.350 -0.003 0.000 0.283 602 T C -0.261 174.147 174.700 -0.487 0.000 0.956 602 T CA 0.144 62.121 62.100 -0.204 0.000 0.894 602 T CB -0.112 68.617 68.868 -0.230 0.000 1.160 602 T HN 0.751 nan 8.240 nan 0.000 0.532 603 H N 0.079 119.186 119.070 0.062 0.000 3.086 603 H HA 0.517 5.072 4.556 -0.003 0.000 0.353 603 H C -1.464 173.896 175.328 0.052 0.000 1.134 603 H CA -0.437 55.642 56.048 0.052 0.000 1.248 603 H CB 1.988 31.768 29.762 0.031 0.000 1.878 603 H HN -0.064 nan 8.280 nan 0.000 0.527 604 V N 4.009 124.034 119.914 0.185 0.000 2.680 604 V HA 0.474 4.593 4.120 -0.003 0.000 0.309 604 V C 0.102 176.271 176.094 0.125 0.000 1.052 604 V CA -0.655 61.724 62.300 0.131 0.000 0.908 604 V CB 2.445 34.332 31.823 0.106 0.000 1.001 604 V HN 0.527 nan 8.190 nan 0.000 0.431 605 I N 4.689 125.329 120.570 0.117 0.000 2.439 605 I HA 0.462 4.631 4.170 -0.003 0.000 0.285 605 I C -0.811 175.377 176.117 0.119 0.000 1.021 605 I CA -0.320 61.064 61.300 0.141 0.000 1.091 605 I CB 1.870 39.971 38.000 0.169 0.000 1.242 605 I HN 0.364 nan 8.210 nan 0.000 0.439 606 L N 6.071 127.363 121.223 0.115 0.000 2.307 606 L HA 0.713 5.051 4.340 -0.003 0.000 0.284 606 L C -0.148 176.778 176.870 0.094 0.000 1.023 606 L CA -0.087 54.805 54.840 0.086 0.000 0.810 606 L CB 1.900 44.000 42.059 0.068 0.000 1.231 606 L HN 0.722 nan 8.230 nan 0.000 0.423 607 T N -1.101 113.505 114.554 0.085 0.000 2.885 607 T HA 0.248 4.596 4.350 -0.003 0.000 0.322 607 T C -0.280 174.487 174.700 0.111 0.000 1.387 607 T CA -0.656 61.504 62.100 0.100 0.000 1.041 607 T CB 1.550 70.463 68.868 0.075 0.000 1.287 607 T HN 0.605 nan 8.240 nan 0.000 0.491 608 D N 1.072 121.573 120.400 0.168 0.000 2.350 608 D HA 0.092 4.730 4.640 -0.003 0.000 0.213 608 D C 1.317 177.744 176.300 0.212 0.000 1.031 608 D CA 0.159 54.278 54.000 0.198 0.000 0.861 608 D CB -0.133 40.811 40.800 0.240 0.000 0.926 608 D HN 0.810 nan 8.370 nan 0.000 0.520 609 E N 1.159 121.460 120.200 0.168 0.000 2.136 609 E HA -0.253 4.096 4.350 -0.003 0.000 0.208 609 E C 1.495 178.132 176.600 0.061 0.000 1.035 609 E CA 1.826 58.259 56.400 0.056 0.000 0.838 609 E CB -0.304 29.343 29.700 -0.088 0.000 0.748 609 E HN 0.431 nan 8.360 nan 0.000 0.459 610 A N 0.936 123.785 122.820 0.048 0.000 2.281 610 A HA 0.061 4.380 4.320 -0.003 0.000 0.231 610 A C 0.687 178.290 177.584 0.031 0.000 1.317 610 A CA -0.079 51.976 52.037 0.031 0.000 0.959 610 A CB -0.767 18.242 19.000 0.015 0.000 0.900 610 A HN 0.232 nan 8.150 nan 0.000 0.497 611 M N 0.733 120.378 119.600 0.075 0.000 2.252 611 M HA 0.389 4.867 4.480 -0.003 0.000 0.348 611 M C 0.379 176.681 176.300 0.003 0.000 1.334 611 M CA 0.892 56.227 55.300 0.058 0.000 1.071 611 M CB 0.239 32.934 32.600 0.159 0.000 1.763 611 M HN 0.330 nan 8.290 nan 0.000 0.452 612 G N 3.995 112.717 108.800 -0.131 0.000 2.749 612 G HA2 0.468 4.427 3.960 -0.003 0.000 0.300 612 G HA3 0.468 4.427 3.960 -0.003 0.000 0.300 612 G C -2.795 171.677 174.900 -0.713 0.000 1.352 612 G CA -0.672 44.261 45.100 -0.278 0.000 0.789 612 G HN 0.453 nan 8.290 nan 0.000 0.509 613 P HA -0.035 nan 4.420 nan 0.000 0.223 613 P C 1.101 178.285 177.300 -0.193 0.000 1.144 613 P CA 1.733 64.527 63.100 -0.510 0.000 0.783 613 P CB 0.406 32.062 31.700 -0.074 0.000 0.771 614 A N -0.934 121.795 122.820 -0.153 0.000 2.382 614 A HA 0.233 4.552 4.320 -0.003 0.000 0.228 614 A C 0.968 178.456 177.584 -0.160 0.000 1.217 614 A CA -0.105 51.872 52.037 -0.100 0.000 0.923 614 A CB 0.190 19.148 19.000 -0.070 0.000 0.979 614 A HN 0.058 nan 8.150 nan 0.000 0.515 615 R N 0.029 120.399 120.500 -0.216 0.000 2.502 615 R HA 0.575 4.913 4.340 -0.003 0.000 0.298 615 R C -0.485 175.503 176.300 -0.521 0.000 1.018 615 R CA -0.238 55.655 56.100 -0.345 0.000 0.899 615 R CB 1.861 32.042 30.300 -0.198 0.000 1.181 615 R HN 0.268 nan 8.270 nan 0.000 0.444 616 A N 2.085 124.287 122.820 -1.029 0.000 2.366 616 A HA 0.643 4.961 4.320 -0.003 0.000 0.249 616 A C 0.041 177.287 177.584 -0.565 0.000 1.084 616 A CA -0.285 51.106 52.037 -1.077 0.000 0.794 616 A CB 0.556 18.723 19.000 -1.388 0.000 1.034 616 A HN 0.756 nan 8.150 nan 0.000 0.491 617 A N 1.217 123.997 122.820 -0.067 0.000 2.310 617 A HA 0.597 4.915 4.320 -0.003 0.000 0.299 617 A C 0.004 177.766 177.584 0.297 0.000 1.147 617 A CA -0.481 51.648 52.037 0.154 0.000 0.818 617 A CB 0.043 19.240 19.000 0.327 0.000 1.096 617 A HN 0.722 nan 8.150 nan 0.000 0.495 618 I N 2.697 123.444 120.570 0.295 0.000 2.529 618 I HA 0.168 4.336 4.170 -0.003 0.000 0.284 618 I C -1.909 174.284 176.117 0.126 0.000 1.082 618 I CA -1.693 59.759 61.300 0.254 0.000 1.406 618 I CB 1.230 39.313 38.000 0.138 0.000 1.405 618 I HN 0.420 nan 8.210 nan 0.000 0.548 619 P HA -0.061 nan 4.420 nan 0.000 0.254 619 P C 0.544 177.844 177.300 -0.001 0.000 1.186 619 P CA 0.236 63.363 63.100 0.044 0.000 0.868 619 P CB 0.582 32.311 31.700 0.047 0.000 0.856 620 A N 4.825 127.636 122.820 -0.015 0.000 1.935 620 A HA -0.310 4.009 4.320 -0.003 0.000 0.224 620 A C 1.980 179.511 177.584 -0.089 0.000 1.324 620 A CA 2.193 54.213 52.037 -0.029 0.000 0.686 620 A CB -1.600 17.405 19.000 0.008 0.000 0.837 620 A HN 0.516 nan 8.150 nan 0.000 0.481 621 I N -1.390 119.068 120.570 -0.188 0.000 2.118 621 I HA -0.275 3.893 4.170 -0.003 0.000 0.241 621 I C 2.389 178.483 176.117 -0.039 0.000 1.070 621 I CA 1.633 62.769 61.300 -0.274 0.000 1.327 621 I CB -0.284 37.412 38.000 -0.508 0.000 1.034 621 I HN 0.438 nan 8.210 nan 0.000 0.405 622 L N 0.637 121.896 121.223 0.059 0.000 2.083 622 L HA -0.141 4.198 4.340 -0.003 0.000 0.209 622 L C 2.440 179.286 176.870 -0.040 0.000 1.083 622 L CA 2.180 57.102 54.840 0.136 0.000 0.752 622 L CB -1.000 41.071 42.059 0.020 0.000 0.899 622 L HN 0.232 nan 8.230 nan 0.000 0.433 623 A N -1.908 120.887 122.820 -0.042 0.000 1.897 623 A HA -0.137 4.182 4.320 -0.003 0.000 0.215 623 A C 2.206 179.772 177.584 -0.030 0.000 1.181 623 A CA 1.925 53.934 52.037 -0.048 0.000 0.620 623 A CB -1.013 17.977 19.000 -0.016 0.000 0.821 623 A HN 0.479 nan 8.150 nan 0.000 0.443 624 T N -0.080 114.458 114.554 -0.027 0.000 2.708 624 T HA -0.054 4.294 4.350 -0.003 0.000 0.266 624 T C 1.982 176.689 174.700 0.012 0.000 1.037 624 T CA 1.513 63.602 62.100 -0.018 0.000 1.146 624 T CB -0.715 68.111 68.868 -0.070 0.000 0.865 624 T HN 0.550 nan 8.240 nan 0.000 0.435 625 G N 1.319 110.135 108.800 0.028 0.000 2.453 625 G HA2 -0.033 3.926 3.960 -0.003 0.000 0.215 625 G HA3 -0.033 3.926 3.960 -0.003 0.000 0.215 625 G C 1.915 176.812 174.900 -0.005 0.000 1.201 625 G CA 0.964 46.099 45.100 0.058 0.000 0.784 625 G HN 0.571 nan 8.290 nan 0.000 0.545 626 A N -0.080 122.680 122.820 -0.100 0.000 1.940 626 A HA -0.100 4.218 4.320 -0.003 0.000 0.221 626 A C 2.625 180.225 177.584 0.026 0.000 1.190 626 A CA 2.380 54.406 52.037 -0.019 0.000 0.647 626 A CB -0.811 18.144 19.000 -0.075 0.000 0.821 626 A HN 0.330 nan 8.150 nan 0.000 0.457 627 V N -1.172 118.756 119.914 0.023 0.000 2.283 627 V HA -0.207 3.912 4.120 -0.003 0.000 0.243 627 V C 2.410 178.574 176.094 0.115 0.000 1.039 627 V CA 2.384 64.708 62.300 0.039 0.000 1.016 627 V CB -0.910 30.926 31.823 0.021 0.000 0.650 627 V HN 0.863 nan 8.190 nan 0.000 0.449 628 H N 1.118 120.197 119.070 0.016 0.000 2.265 628 H HA -0.198 4.357 4.556 -0.003 0.000 0.295 628 H C 2.425 177.765 175.328 0.020 0.000 1.084 628 H CA 2.884 58.945 56.048 0.022 0.000 1.261 628 H CB -0.571 29.190 29.762 -0.002 0.000 1.360 628 H HN 0.578 nan 8.280 nan 0.000 0.487 629 T N -1.759 112.825 114.554 0.050 0.000 2.502 629 T HA -0.372 3.977 4.350 -0.003 0.000 0.258 629 T C 1.931 176.621 174.700 -0.018 0.000 1.146 629 T CA 2.002 64.066 62.100 -0.061 0.000 1.208 629 T CB -1.416 67.446 68.868 -0.010 0.000 0.864 629 T HN 0.727 nan 8.240 nan 0.000 0.402 630 H N 1.095 120.125 119.070 -0.067 0.000 2.407 630 H HA -0.116 4.438 4.556 -0.003 0.000 0.293 630 H C 2.261 177.556 175.328 -0.054 0.000 1.122 630 H CA 1.970 57.986 56.048 -0.053 0.000 1.232 630 H CB -0.398 29.351 29.762 -0.022 0.000 1.361 630 H HN 0.251 nan 8.280 nan 0.000 0.498 631 L N 0.013 121.336 121.223 0.167 0.000 2.042 631 L HA -0.201 4.138 4.340 -0.003 0.000 0.210 631 L C 2.341 179.190 176.870 -0.035 0.000 1.076 631 L CA 1.153 56.050 54.840 0.095 0.000 0.749 631 L CB -0.552 41.548 42.059 0.067 0.000 0.893 631 L HN 0.469 nan 8.230 nan 0.000 0.432 632 I N 0.037 120.514 120.570 -0.156 0.000 2.179 632 I HA -0.250 3.919 4.170 -0.003 0.000 0.242 632 I C 2.493 178.536 176.117 -0.123 0.000 1.088 632 I CA 1.279 62.471 61.300 -0.181 0.000 1.357 632 I CB -0.976 36.858 38.000 -0.278 0.000 1.051 632 I HN 0.318 nan 8.210 nan 0.000 0.409 633 R N 0.870 121.289 120.500 -0.135 0.000 2.355 633 R HA -0.075 4.263 4.340 -0.003 0.000 0.219 633 R C 0.836 177.042 176.300 -0.156 0.000 1.107 633 R CA 1.091 57.103 56.100 -0.146 0.000 1.021 633 R CB -0.311 29.880 30.300 -0.182 0.000 0.852 633 R HN 0.403 nan 8.270 nan 0.000 0.475 634 S N 0.063 115.691 115.700 -0.120 0.000 2.941 634 S HA 0.153 4.621 4.470 -0.003 0.000 0.251 634 S C -0.308 174.293 174.600 0.002 0.000 1.029 634 S CA -0.755 57.399 58.200 -0.077 0.000 1.062 634 S CB 0.242 63.379 63.200 -0.106 0.000 0.977 634 S HN 0.222 nan 8.310 nan 0.000 0.552 635 N N 1.147 119.838 118.700 -0.013 0.000 2.714 635 N HA -0.131 4.607 4.740 -0.003 0.000 0.253 635 N C -0.277 175.265 175.510 0.053 0.000 1.024 635 N CA 0.422 53.476 53.050 0.006 0.000 0.726 635 N CB -0.804 37.708 38.487 0.041 0.000 0.908 635 N HN 0.342 nan 8.380 nan 0.000 0.542 636 L N -0.645 120.609 121.223 0.052 0.000 2.885 636 L HA 0.190 4.528 4.340 -0.003 0.000 0.251 636 L C 2.101 179.025 176.870 0.090 0.000 1.071 636 L CA 0.516 55.468 54.840 0.188 0.000 0.956 636 L CB -0.477 41.706 42.059 0.207 0.000 1.483 636 L HN 0.033 nan 8.230 nan 0.000 0.525 637 R N -0.179 120.338 120.500 0.029 0.000 2.185 637 R HA -0.177 4.162 4.340 -0.003 0.000 0.247 637 R C 1.962 178.251 176.300 -0.018 0.000 1.159 637 R CA 2.047 58.170 56.100 0.039 0.000 0.988 637 R CB -0.905 29.391 30.300 -0.006 0.000 0.871 637 R HN 0.234 nan 8.270 nan 0.000 0.458 638 T N -0.894 113.539 114.554 -0.202 0.000 3.035 638 T HA -0.023 4.325 4.350 -0.003 0.000 0.268 638 T C 0.565 175.030 174.700 -0.392 0.000 1.109 638 T CA 0.749 62.653 62.100 -0.327 0.000 1.119 638 T CB -0.188 68.396 68.868 -0.473 0.000 0.900 638 T HN 0.201 nan 8.240 nan 0.000 0.503 639 F N 1.665 121.633 119.950 0.030 0.000 2.776 639 F HA 0.291 4.817 4.527 -0.003 0.000 0.300 639 F C 1.223 177.003 175.800 -0.034 0.000 1.116 639 F CA -0.175 57.825 58.000 -0.001 0.000 1.375 639 F CB -0.117 38.884 39.000 0.002 0.000 1.109 639 F HN 0.065 nan 8.300 nan 0.000 0.585 640 T N -2.261 112.361 114.554 0.114 0.000 2.838 640 T HA 0.561 4.909 4.350 -0.003 0.000 0.292 640 T C -0.294 174.439 174.700 0.055 0.000 1.113 640 T CA -1.004 61.119 62.100 0.039 0.000 1.008 640 T CB 1.701 70.615 68.868 0.077 0.000 1.259 640 T HN -0.054 nan 8.240 nan 0.000 0.520 641 S N 0.391 116.130 115.700 0.065 0.000 2.608 641 S HA 0.766 5.234 4.470 -0.003 0.000 0.291 641 S C -0.716 173.979 174.600 0.158 0.000 1.146 641 S CA -0.957 57.330 58.200 0.145 0.000 1.043 641 S CB 1.026 64.395 63.200 0.281 0.000 1.037 641 S HN 0.959 nan 8.310 nan 0.000 0.520 642 L N 1.763 123.073 121.223 0.145 0.000 2.406 642 L HA 0.687 5.026 4.340 -0.003 0.000 0.270 642 L C -1.921 175.012 176.870 0.104 0.000 0.982 642 L CA -0.541 54.376 54.840 0.129 0.000 0.843 642 L CB 1.121 43.262 42.059 0.138 0.000 1.225 642 L HN 0.782 nan 8.230 nan 0.000 0.412 643 N N 3.790 122.555 118.700 0.108 0.000 2.314 643 N HA 0.693 5.431 4.740 -0.003 0.000 0.294 643 N C -1.304 174.289 175.510 0.138 0.000 1.029 643 N CA -0.637 52.481 53.050 0.114 0.000 0.845 643 N CB 2.512 41.063 38.487 0.105 0.000 1.321 643 N HN 0.323 nan 8.380 nan 0.000 0.481 644 V N 1.002 120.988 119.914 0.119 0.000 2.628 644 V HA 0.571 4.689 4.120 -0.003 0.000 0.306 644 V C -0.051 176.108 176.094 0.108 0.000 1.045 644 V CA -0.923 61.433 62.300 0.093 0.000 0.905 644 V CB 1.631 33.463 31.823 0.015 0.000 0.997 644 V HN 0.580 nan 8.190 nan 0.000 0.436 645 R N 1.621 122.185 120.500 0.107 0.000 2.393 645 R HA 0.679 5.018 4.340 -0.003 0.000 0.315 645 R C -0.725 175.666 176.300 0.151 0.000 0.952 645 R CA -0.394 55.783 56.100 0.128 0.000 0.842 645 R CB 2.045 32.394 30.300 0.081 0.000 1.163 645 R HN 0.774 nan 8.270 nan 0.000 0.450 646 T N 0.473 115.037 114.554 0.017 0.000 2.879 646 T HA 0.397 4.746 4.350 -0.003 0.000 0.290 646 T C 0.713 175.098 174.700 -0.526 0.000 0.993 646 T CA -0.269 61.731 62.100 -0.167 0.000 0.975 646 T CB 1.655 70.413 68.868 -0.183 0.000 0.981 646 T HN 0.630 nan 8.240 nan 0.000 0.439 647 A N 3.268 125.818 122.820 -0.451 0.000 1.929 647 A HA 0.095 4.413 4.320 -0.003 0.000 0.216 647 A C 1.900 179.446 177.584 -0.063 0.000 1.176 647 A CA 1.538 53.353 52.037 -0.371 0.000 0.628 647 A CB -0.516 18.648 19.000 0.274 0.000 0.816 647 A HN 0.921 nan 8.150 nan 0.000 0.444 648 E N 0.082 119.986 120.200 -0.493 0.000 2.358 648 E HA 0.089 4.438 4.350 -0.003 0.000 0.195 648 E C 1.095 177.245 176.600 -0.751 0.000 1.010 648 E CA 0.311 56.358 56.400 -0.590 0.000 0.856 648 E CB -0.291 28.751 29.700 -1.098 0.000 0.795 648 E HN 0.460 nan 8.360 nan 0.000 0.504 649 G N 0.690 108.917 108.800 -0.955 0.000 2.491 649 G HA2 0.325 4.284 3.960 -0.003 0.000 0.242 649 G HA3 0.325 4.284 3.960 -0.003 0.000 0.242 649 G C 0.142 174.789 174.900 -0.421 0.000 1.266 649 G CA -0.062 44.335 45.100 -1.172 0.000 0.844 649 G HN 0.321 nan 8.290 nan 0.000 0.571 650 L N -0.075 121.027 121.223 -0.202 0.000 1.906 650 L HA 0.327 4.666 4.340 -0.003 0.000 0.169 650 L C -0.110 176.890 176.870 0.217 0.000 1.261 650 L CA 0.203 55.091 54.840 0.080 0.000 1.110 650 L CB 0.107 42.194 42.059 0.047 0.000 2.318 650 L HN 0.538 nan 8.230 nan 0.000 0.489 651 D N -0.160 120.358 120.400 0.196 0.000 2.432 651 D HA 0.218 4.857 4.640 -0.003 0.000 0.258 651 D C 1.173 177.592 176.300 0.198 0.000 1.146 651 D CA 0.385 54.513 54.000 0.213 0.000 1.015 651 D CB 0.271 41.248 40.800 0.294 0.000 1.107 651 D HN 0.359 nan 8.370 nan 0.000 0.529 652 T N -2.751 111.861 114.554 0.097 0.000 2.624 652 T HA -0.367 3.981 4.350 -0.003 0.000 0.268 652 T C 1.704 176.534 174.700 0.217 0.000 1.041 652 T CA 1.855 63.994 62.100 0.064 0.000 1.159 652 T CB -1.000 67.894 68.868 0.043 0.000 0.863 652 T HN 0.592 nan 8.240 nan 0.000 0.434 653 H N 0.140 119.304 119.070 0.158 0.000 2.296 653 H HA -0.235 4.320 4.556 -0.003 0.000 0.291 653 H C 2.166 177.547 175.328 0.089 0.000 1.074 653 H CA 2.551 58.649 56.048 0.084 0.000 1.176 653 H CB -0.833 28.822 29.762 -0.179 0.000 1.357 653 H HN 0.463 nan 8.280 nan 0.000 0.520 654 Y N 0.011 120.265 120.300 -0.077 0.000 2.215 654 Y HA -0.340 4.208 4.550 -0.003 0.000 0.282 654 Y C 2.499 178.320 175.900 -0.132 0.000 1.207 654 Y CA 2.063 60.031 58.100 -0.221 0.000 1.196 654 Y CB -0.498 37.812 38.460 -0.249 0.000 0.969 654 Y HN 0.176 nan 8.280 nan 0.000 0.528 655 F N -1.305 118.661 119.950 0.025 0.000 2.074 655 F HA -0.123 4.403 4.527 -0.003 0.000 0.293 655 F C 2.537 178.295 175.800 -0.069 0.000 1.116 655 F CA 1.120 59.116 58.000 -0.006 0.000 1.212 655 F CB -1.415 37.580 39.000 -0.009 0.000 0.998 655 F HN 0.036 nan 8.300 nan 0.000 0.471 656 A N 0.281 123.198 122.820 0.160 0.000 1.894 656 A HA -0.257 4.061 4.320 -0.003 0.000 0.220 656 A C 2.416 180.044 177.584 0.073 0.000 1.237 656 A CA 2.802 54.946 52.037 0.179 0.000 0.660 656 A CB -1.451 17.698 19.000 0.249 0.000 0.835 656 A HN 0.189 nan 8.150 nan 0.000 0.461 657 V N -0.442 119.214 119.914 -0.430 0.000 2.214 657 V HA -0.278 3.840 4.120 -0.003 0.000 0.245 657 V C 2.461 178.212 176.094 -0.572 0.000 1.047 657 V CA 2.075 63.792 62.300 -0.971 0.000 0.998 657 V CB -0.913 30.122 31.823 -1.313 0.000 0.633 657 V HN 0.535 nan 8.190 nan 0.000 0.446 658 L N -0.629 120.283 121.223 -0.519 0.000 2.030 658 L HA -0.278 4.060 4.340 -0.003 0.000 0.222 658 L C 2.214 178.969 176.870 -0.192 0.000 1.082 658 L CA 2.068 56.697 54.840 -0.352 0.000 0.785 658 L CB -1.010 40.877 42.059 -0.287 0.000 0.895 658 L HN 0.276 nan 8.230 nan 0.000 0.439 659 I N -1.012 119.517 120.570 -0.068 0.000 2.113 659 I HA -0.214 3.955 4.170 -0.003 0.000 0.238 659 I C 1.790 177.935 176.117 0.047 0.000 1.070 659 I CA 1.524 62.849 61.300 0.041 0.000 1.332 659 I CB -0.777 37.313 38.000 0.150 0.000 1.044 659 I HN 0.406 nan 8.210 nan 0.000 0.402 660 G N 0.205 109.088 108.800 0.138 0.000 3.375 660 G HA2 0.227 4.186 3.960 -0.003 0.000 0.247 660 G HA3 0.227 4.186 3.960 -0.003 0.000 0.247 660 G C 0.453 175.287 174.900 -0.111 0.000 1.343 660 G CA 0.090 45.191 45.100 0.002 0.000 1.368 660 G HN 0.260 nan 8.290 nan 0.000 0.549 661 V N -0.902 118.893 119.914 -0.198 0.000 3.399 661 V HA 0.461 4.579 4.120 -0.003 0.000 0.357 661 V C 1.218 177.089 176.094 -0.372 0.000 1.480 661 V CA 0.484 62.658 62.300 -0.209 0.000 1.263 661 V CB 0.081 31.759 31.823 -0.242 0.000 1.103 661 V HN 0.670 nan 8.190 nan 0.000 0.533 662 G N 0.781 109.265 108.800 -0.527 0.000 2.906 662 G HA2 0.105 4.063 3.960 -0.003 0.000 0.196 662 G HA3 0.105 4.063 3.960 -0.003 0.000 0.196 662 G C 0.617 175.368 174.900 -0.247 0.000 2.215 662 G CA -0.068 44.561 45.100 -0.785 0.000 1.518 662 G HN 1.491 nan 8.290 nan 0.000 0.495 663 A N 0.823 123.564 122.820 -0.132 0.000 2.573 663 A HA 0.320 4.638 4.320 -0.003 0.000 0.264 663 A C 1.556 179.157 177.584 0.028 0.000 0.934 663 A CA 2.088 54.105 52.037 -0.033 0.000 0.956 663 A CB -0.153 18.813 19.000 -0.057 0.000 0.798 663 A HN 1.332 nan 8.150 nan 0.000 0.439 664 T N 1.384 115.974 114.554 0.059 0.000 2.939 664 T HA 0.148 4.496 4.350 -0.003 0.000 0.254 664 T C 0.870 175.606 174.700 0.060 0.000 1.041 664 T CA 1.655 63.799 62.100 0.073 0.000 1.142 664 T CB 0.064 68.980 68.868 0.081 0.000 0.874 664 T HN 0.760 nan 8.240 nan 0.000 0.452 665 T N 1.398 115.987 114.554 0.058 0.000 2.912 665 T HA 0.654 5.002 4.350 -0.003 0.000 0.299 665 T C -1.472 173.266 174.700 0.063 0.000 1.052 665 T CA -0.481 61.659 62.100 0.067 0.000 0.996 665 T CB 2.097 71.001 68.868 0.060 0.000 1.070 665 T HN -0.095 nan 8.240 nan 0.000 0.465 666 V N 3.832 123.784 119.914 0.064 0.000 2.925 666 V HA 0.636 4.755 4.120 -0.003 0.000 0.311 666 V C -0.613 175.526 176.094 0.075 0.000 1.104 666 V CA -1.043 61.245 62.300 -0.020 0.000 0.954 666 V CB 2.272 33.911 31.823 -0.307 0.000 1.022 666 V HN 0.880 nan 8.190 nan 0.000 0.427 667 N N 2.539 121.271 118.700 0.054 0.000 2.549 667 N HA 0.453 5.192 4.740 -0.003 0.000 0.281 667 N C -0.650 174.898 175.510 0.063 0.000 1.084 667 N CA -0.344 52.779 53.050 0.122 0.000 0.862 667 N CB 2.030 40.585 38.487 0.113 0.000 1.333 667 N HN 0.863 nan 8.380 nan 0.000 0.523 668 A N 4.111 127.016 122.820 0.141 0.000 2.671 668 A HA 0.136 4.455 4.320 -0.003 0.000 0.306 668 A C 0.552 178.169 177.584 0.055 0.000 1.473 668 A CA -0.573 51.499 52.037 0.059 0.000 1.155 668 A CB -0.757 18.418 19.000 0.292 0.000 1.123 668 A HN 0.815 nan 8.150 nan 0.000 0.545 669 Y N 1.736 122.019 120.300 -0.028 0.000 2.286 669 Y HA 0.102 4.650 4.550 -0.003 0.000 0.293 669 Y C 1.071 176.951 175.900 -0.033 0.000 1.124 669 Y CA 0.692 58.761 58.100 -0.051 0.000 1.178 669 Y CB -0.108 38.280 38.460 -0.120 0.000 1.010 669 Y HN 0.383 nan 8.280 nan 0.000 0.536 670 L N 0.609 121.634 121.223 -0.331 0.000 2.672 670 L HA 0.409 4.748 4.340 -0.003 0.000 0.236 670 L C 1.087 177.898 176.870 -0.098 0.000 1.186 670 L CA 0.703 55.460 54.840 -0.138 0.000 0.977 670 L CB -0.239 41.664 42.059 -0.259 0.000 1.203 670 L HN 0.540 nan 8.230 nan 0.000 0.448 671 A N -1.493 121.273 122.820 -0.091 0.000 2.140 671 A HA 0.014 4.332 4.320 -0.003 0.000 0.199 671 A C 1.877 179.349 177.584 -0.186 0.000 1.416 671 A CA -0.100 51.868 52.037 -0.116 0.000 1.018 671 A CB 0.159 19.104 19.000 -0.092 0.000 1.117 671 A HN 0.413 nan 8.150 nan 0.000 0.480 672 Q N 0.104 119.824 119.800 -0.133 0.000 2.083 672 Q HA -0.178 4.160 4.340 -0.003 0.000 0.198 672 Q C 1.791 177.740 176.000 -0.086 0.000 0.969 672 Q CA 1.767 57.482 55.803 -0.146 0.000 0.838 672 Q CB -0.006 28.710 28.738 -0.037 0.000 0.900 672 Q HN 0.671 nan 8.270 nan 0.000 0.436 673 E N 0.366 120.551 120.200 -0.025 0.000 2.013 673 E HA -0.233 4.116 4.350 -0.003 0.000 0.202 673 E C 1.796 178.387 176.600 -0.015 0.000 1.018 673 E CA 1.863 58.261 56.400 -0.003 0.000 0.834 673 E CB -0.345 29.375 29.700 0.032 0.000 0.770 673 E HN 0.444 nan 8.360 nan 0.000 0.459 674 A N 0.375 123.182 122.820 -0.022 0.000 1.971 674 A HA -0.275 4.044 4.320 -0.003 0.000 0.222 674 A C 2.268 179.860 177.584 0.014 0.000 1.182 674 A CA 1.969 54.004 52.037 -0.004 0.000 0.649 674 A CB -1.006 17.988 19.000 -0.010 0.000 0.818 674 A HN 0.374 nan 8.150 nan 0.000 0.458 675 I N -0.485 120.053 120.570 -0.053 0.000 2.069 675 I HA -0.357 3.812 4.170 -0.003 0.000 0.237 675 I C 3.004 179.171 176.117 0.082 0.000 1.053 675 I CA 1.316 62.592 61.300 -0.039 0.000 1.311 675 I CB -0.660 37.201 38.000 -0.232 0.000 1.030 675 I HN 0.401 nan 8.210 nan 0.000 0.398 676 A N 0.455 123.284 122.820 0.015 0.000 1.893 676 A HA -0.392 3.926 4.320 -0.003 0.000 0.222 676 A C 2.309 179.981 177.584 0.147 0.000 1.309 676 A CA 2.576 54.648 52.037 0.057 0.000 0.681 676 A CB -1.087 17.918 19.000 0.008 0.000 0.842 676 A HN 0.555 nan 8.150 nan 0.000 0.468 677 E N -0.175 120.082 120.200 0.095 0.000 2.068 677 E HA -0.274 4.075 4.350 -0.003 0.000 0.207 677 E C 2.256 178.930 176.600 0.124 0.000 1.032 677 E CA 1.832 58.285 56.400 0.088 0.000 0.839 677 E CB -0.411 29.319 29.700 0.051 0.000 0.758 677 E HN 0.575 nan 8.360 nan 0.000 0.457 678 R N -0.403 120.196 120.500 0.164 0.000 2.113 678 R HA -0.200 4.139 4.340 -0.003 0.000 0.244 678 R C 2.551 178.970 176.300 0.198 0.000 1.142 678 R CA 1.699 57.905 56.100 0.178 0.000 0.953 678 R CB -0.968 29.549 30.300 0.362 0.000 0.860 678 R HN 0.487 nan 8.270 nan 0.000 0.438 679 H N 1.200 120.422 119.070 0.254 0.000 2.423 679 H HA -0.022 4.533 4.556 -0.003 0.000 0.297 679 H C 0.889 176.287 175.328 0.117 0.000 1.075 679 H CA 1.187 57.399 56.048 0.274 0.000 1.342 679 H CB 0.172 30.103 29.762 0.282 0.000 1.395 679 H HN 0.098 nan 8.280 nan 0.000 0.530 680 R N 0.674 121.299 120.500 0.207 0.000 2.404 680 R HA 0.126 4.465 4.340 -0.003 0.000 0.236 680 R C 0.621 176.930 176.300 0.015 0.000 1.044 680 R CA 0.094 56.253 56.100 0.099 0.000 1.133 680 R CB 0.311 30.673 30.300 0.103 0.000 1.142 680 R HN 0.243 nan 8.270 nan 0.000 0.512 681 R N -0.525 119.961 120.500 -0.023 0.000 2.642 681 R HA 0.134 4.473 4.340 -0.003 0.000 0.435 681 R C 0.421 176.665 176.300 -0.093 0.000 1.046 681 R CA 0.136 56.209 56.100 -0.045 0.000 1.103 681 R CB 1.338 31.616 30.300 -0.037 0.000 1.425 681 R HN 0.270 nan 8.270 nan 0.000 0.586 682 G N 1.794 110.515 108.800 -0.132 0.000 2.380 682 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.298 682 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.298 682 G C 0.854 175.641 174.900 -0.188 0.000 0.989 682 G CA 0.438 45.429 45.100 -0.181 0.000 0.836 682 G HN 0.376 nan 8.290 nan 0.000 0.511 683 L N -2.024 119.050 121.223 -0.247 0.000 2.353 683 L HA 0.043 4.382 4.340 -0.003 0.000 0.220 683 L C 2.163 178.707 176.870 -0.544 0.000 1.133 683 L CA 0.900 55.519 54.840 -0.367 0.000 0.798 683 L CB -0.241 41.563 42.059 -0.426 0.000 0.922 683 L HN 0.346 nan 8.230 nan 0.000 0.445 684 F N -0.713 119.248 119.950 0.018 0.000 2.695 684 F HA 0.324 4.849 4.527 -0.003 0.000 0.303 684 F C 1.706 177.503 175.800 -0.006 0.000 1.091 684 F CA 0.345 58.361 58.000 0.027 0.000 1.300 684 F CB -0.281 38.741 39.000 0.037 0.000 1.071 684 F HN 0.100 nan 8.300 nan 0.000 0.578 685 G N 0.890 109.681 108.800 -0.014 0.000 2.539 685 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.256 685 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.256 685 G C 1.250 176.146 174.900 -0.006 0.000 1.233 685 G CA 0.566 45.656 45.100 -0.018 0.000 0.936 685 G HN 0.494 nan 8.290 nan 0.000 0.571 686 S N 0.062 115.773 115.700 0.018 0.000 2.393 686 S HA -0.278 4.191 4.470 -0.003 0.000 0.234 686 S C 1.802 176.444 174.600 0.070 0.000 1.064 686 S CA 2.304 60.523 58.200 0.032 0.000 1.088 686 S CB -0.395 62.827 63.200 0.036 0.000 0.939 686 S HN 1.599 nan 8.310 nan 0.000 0.448 687 M N 3.796 123.459 119.600 0.106 0.000 2.336 687 M HA 0.071 4.549 4.480 -0.003 0.000 0.371 687 M C -2.453 174.000 176.300 0.254 0.000 1.542 687 M CA -1.117 54.273 55.300 0.150 0.000 0.959 687 M CB 0.150 32.844 32.600 0.156 0.000 2.033 687 M HN 0.091 nan 8.290 nan 0.000 0.472 688 P HA -0.015 nan 4.420 nan 0.000 0.271 688 P C 0.387 177.700 177.300 0.022 0.000 1.216 688 P CA -0.243 62.953 63.100 0.160 0.000 0.771 688 P CB 0.508 32.246 31.700 0.063 0.000 0.864 689 L N 2.966 124.039 121.223 -0.251 0.000 2.270 689 L HA -0.250 4.088 4.340 -0.003 0.000 0.217 689 L C 1.568 178.302 176.870 -0.226 0.000 1.107 689 L CA 2.118 56.649 54.840 -0.515 0.000 0.772 689 L CB -0.751 40.944 42.059 -0.606 0.000 0.902 689 L HN 0.278 nan 8.230 nan 0.000 0.439 690 E N -0.458 119.670 120.200 -0.119 0.000 2.024 690 E HA -0.158 4.190 4.350 -0.003 0.000 0.190 690 E C 2.078 178.644 176.600 -0.056 0.000 0.974 690 E CA 1.128 57.486 56.400 -0.070 0.000 0.810 690 E CB -0.414 29.266 29.700 -0.034 0.000 0.775 690 E HN 0.268 nan 8.360 nan 0.000 0.453 691 K N 0.937 121.317 120.400 -0.034 0.000 2.173 691 K HA -0.164 4.154 4.320 -0.003 0.000 0.207 691 K C 1.796 178.361 176.600 -0.059 0.000 1.046 691 K CA 1.704 57.975 56.287 -0.025 0.000 0.929 691 K CB -0.885 31.614 32.500 -0.001 0.000 0.720 691 K HN 0.205 nan 8.250 nan 0.000 0.453 692 G N 0.852 109.590 108.800 -0.103 0.000 2.739 692 G HA2 -0.320 3.639 3.960 -0.003 0.000 0.216 692 G HA3 -0.320 3.639 3.960 -0.003 0.000 0.216 692 G C 1.307 176.115 174.900 -0.153 0.000 1.298 692 G CA 1.598 46.574 45.100 -0.206 0.000 0.804 692 G HN 0.213 nan 8.290 nan 0.000 0.623 693 M N 1.307 120.837 119.600 -0.118 0.000 2.151 693 M HA -0.164 4.314 4.480 -0.003 0.000 0.256 693 M C 3.056 179.375 176.300 0.032 0.000 1.072 693 M CA 1.567 56.856 55.300 -0.017 0.000 1.090 693 M CB -1.881 30.717 32.600 -0.003 0.000 1.294 693 M HN 0.382 nan 8.290 nan 0.000 0.415 694 A N 0.882 123.702 122.820 -0.001 0.000 1.906 694 A HA -0.311 4.008 4.320 -0.003 0.000 0.222 694 A C 2.076 179.659 177.584 -0.002 0.000 1.282 694 A CA 2.632 54.669 52.037 0.001 0.000 0.675 694 A CB -1.196 17.799 19.000 -0.008 0.000 0.838 694 A HN 0.585 nan 8.150 nan 0.000 0.469 695 N N -1.538 117.155 118.700 -0.012 0.000 2.007 695 N HA -0.207 4.532 4.740 -0.003 0.000 0.197 695 N C 1.570 177.089 175.510 0.014 0.000 1.050 695 N CA 1.793 54.835 53.050 -0.014 0.000 0.856 695 N CB -0.970 37.495 38.487 -0.037 0.000 1.050 695 N HN 0.594 nan 8.380 nan 0.000 0.423 696 Y N 1.975 122.199 120.300 -0.127 0.000 2.038 696 Y HA -0.344 4.205 4.550 -0.003 0.000 0.266 696 Y C 2.369 178.198 175.900 -0.118 0.000 1.220 696 Y CA 2.174 60.199 58.100 -0.125 0.000 1.107 696 Y CB -0.564 37.823 38.460 -0.122 0.000 0.932 696 Y HN 0.070 nan 8.280 nan 0.000 0.500 697 K N 0.235 120.585 120.400 -0.084 0.000 2.103 697 K HA -0.256 4.063 4.320 -0.003 0.000 0.207 697 K C 2.374 178.850 176.600 -0.208 0.000 1.048 697 K CA 1.876 58.037 56.287 -0.210 0.000 0.930 697 K CB -0.285 32.180 32.500 -0.058 0.000 0.716 697 K HN 0.355 nan 8.250 nan 0.000 0.444 698 K N -0.038 120.287 120.400 -0.126 0.000 2.155 698 K HA -0.076 4.243 4.320 -0.003 0.000 0.203 698 K C 1.867 178.385 176.600 -0.136 0.000 1.052 698 K CA 0.988 57.212 56.287 -0.105 0.000 0.948 698 K CB -0.026 32.440 32.500 -0.057 0.000 0.728 698 K HN 0.172 nan 8.250 nan 0.000 0.448 699 A N 1.270 123.994 122.820 -0.161 0.000 1.930 699 A HA -0.078 4.241 4.320 -0.003 0.000 0.217 699 A C 1.999 179.439 177.584 -0.241 0.000 1.175 699 A CA 1.060 53.007 52.037 -0.151 0.000 0.627 699 A CB -0.358 18.577 19.000 -0.108 0.000 0.815 699 A HN 0.302 nan 8.150 nan 0.000 0.443 700 I N -0.450 119.865 120.570 -0.425 0.000 2.500 700 I HA -0.152 4.016 4.170 -0.003 0.000 0.252 700 I C 1.615 177.527 176.117 -0.340 0.000 1.142 700 I CA 0.959 61.944 61.300 -0.524 0.000 1.451 700 I CB -0.302 37.118 38.000 -0.968 0.000 1.093 700 I HN 0.208 nan 8.210 nan 0.000 0.430 701 D N 1.056 121.304 120.400 -0.254 0.000 2.097 701 D HA -0.162 4.477 4.640 -0.003 0.000 0.197 701 D C 1.656 177.886 176.300 -0.117 0.000 0.984 701 D CA 1.241 55.147 54.000 -0.157 0.000 0.826 701 D CB -0.240 40.494 40.800 -0.111 0.000 0.973 701 D HN 0.251 nan 8.370 nan 0.000 0.460 702 D N -0.035 120.305 120.400 -0.101 0.000 2.312 702 D HA -0.025 4.613 4.640 -0.003 0.000 0.211 702 D C 2.036 178.300 176.300 -0.060 0.000 0.964 702 D CA 0.661 54.625 54.000 -0.061 0.000 0.877 702 D CB -0.435 40.343 40.800 -0.038 0.000 0.924 702 D HN 0.208 nan 8.370 nan 0.000 0.515 703 G N 1.621 110.364 108.800 -0.095 0.000 2.628 703 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.217 703 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.217 703 G C 1.487 176.359 174.900 -0.046 0.000 1.240 703 G CA 0.588 45.642 45.100 -0.076 0.000 0.792 703 G HN 0.141 nan 8.290 nan 0.000 0.593 704 L N 0.720 121.895 121.223 -0.080 0.000 1.944 704 L HA -0.022 4.316 4.340 -0.003 0.000 0.218 704 L C 3.001 179.809 176.870 -0.104 0.000 1.075 704 L CA 1.073 55.855 54.840 -0.096 0.000 0.767 704 L CB -1.310 40.683 42.059 -0.109 0.000 0.890 704 L HN 0.181 nan 8.230 nan 0.000 0.434 705 L N -0.712 120.458 121.223 -0.088 0.000 2.256 705 L HA -0.361 3.977 4.340 -0.003 0.000 0.218 705 L C 2.539 179.385 176.870 -0.039 0.000 1.089 705 L CA 1.751 56.552 54.840 -0.064 0.000 0.777 705 L CB -0.771 41.265 42.059 -0.038 0.000 0.890 705 L HN 0.482 nan 8.230 nan 0.000 0.439 706 K N 0.392 120.779 120.400 -0.023 0.000 2.017 706 K HA -0.053 4.265 4.320 -0.003 0.000 0.207 706 K C 2.122 178.739 176.600 0.029 0.000 1.035 706 K CA 0.501 56.797 56.287 0.014 0.000 0.947 706 K CB -0.021 32.497 32.500 0.029 0.000 0.749 706 K HN 0.054 nan 8.250 nan 0.000 0.443 707 I N 1.604 122.200 120.570 0.043 0.000 2.161 707 I HA -0.464 3.704 4.170 -0.003 0.000 0.246 707 I C 2.447 178.592 176.117 0.047 0.000 1.048 707 I CA 1.764 63.114 61.300 0.083 0.000 1.314 707 I CB -0.186 37.884 38.000 0.117 0.000 1.014 707 I HN 0.373 nan 8.210 nan 0.000 0.418 708 M N -0.038 119.521 119.600 -0.068 0.000 2.091 708 M HA -0.223 4.256 4.480 -0.003 0.000 0.259 708 M C 2.491 178.819 176.300 0.046 0.000 1.076 708 M CA 2.392 57.656 55.300 -0.061 0.000 1.111 708 M CB -0.752 31.742 32.600 -0.177 0.000 1.291 708 M HN 0.363 nan 8.290 nan 0.000 0.417 709 S N 0.528 116.248 115.700 0.034 0.000 2.462 709 S HA -0.222 4.247 4.470 -0.003 0.000 0.251 709 S C 1.562 176.215 174.600 0.089 0.000 1.018 709 S CA 1.644 59.881 58.200 0.061 0.000 0.988 709 S CB -0.832 62.402 63.200 0.057 0.000 0.766 709 S HN 0.441 nan 8.310 nan 0.000 0.504 710 K N 1.171 121.635 120.400 0.106 0.000 2.280 710 K HA 0.028 4.347 4.320 -0.003 0.000 0.202 710 K C 1.111 177.817 176.600 0.177 0.000 1.047 710 K CA 1.292 57.668 56.287 0.148 0.000 0.942 710 K CB -0.297 32.307 32.500 0.174 0.000 0.739 710 K HN 0.745 nan 8.250 nan 0.000 0.457 711 M N -1.942 117.739 119.600 0.134 0.000 2.746 711 M HA 0.383 4.861 4.480 -0.003 0.000 0.209 711 M C 0.164 176.513 176.300 0.081 0.000 1.077 711 M CA -0.499 54.859 55.300 0.096 0.000 0.695 711 M CB 0.778 33.413 32.600 0.057 0.000 1.416 711 M HN 0.059 nan 8.290 nan 0.000 0.459 712 G N 2.180 111.029 108.800 0.083 0.000 2.435 712 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.341 712 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.341 712 G C 0.181 175.119 174.900 0.063 0.000 0.816 712 G CA 0.578 45.720 45.100 0.069 0.000 0.790 712 G HN 0.774 nan 8.290 nan 0.000 0.503 713 I N 0.605 121.221 120.570 0.076 0.000 2.396 713 I HA 0.103 4.271 4.170 -0.003 0.000 0.289 713 I C 1.099 177.249 176.117 0.056 0.000 1.056 713 I CA -0.216 61.131 61.300 0.078 0.000 1.365 713 I CB 1.441 39.519 38.000 0.130 0.000 1.407 713 I HN 0.028 nan 8.210 nan 0.000 0.509 714 S N 4.732 120.460 115.700 0.047 0.000 2.605 714 S HA 0.219 4.688 4.470 -0.003 0.000 0.217 714 S C 0.099 174.714 174.600 0.024 0.000 0.958 714 S CA -0.148 58.070 58.200 0.031 0.000 0.919 714 S CB 0.039 63.256 63.200 0.028 0.000 0.780 714 S HN 0.421 nan 8.310 nan 0.000 0.507 715 V N 1.150 121.085 119.914 0.036 0.000 2.823 715 V HA 0.268 4.386 4.120 -0.003 0.000 0.296 715 V C 0.514 176.644 176.094 0.060 0.000 1.250 715 V CA -0.800 61.520 62.300 0.032 0.000 0.939 715 V CB 1.911 33.756 31.823 0.038 0.000 1.062 715 V HN 0.279 nan 8.190 nan 0.000 0.433 716 I N 3.617 124.209 120.570 0.037 0.000 2.454 716 I HA -0.175 3.993 4.170 -0.003 0.000 0.254 716 I C 2.273 178.482 176.117 0.153 0.000 1.156 716 I CA 2.366 63.714 61.300 0.081 0.000 1.433 716 I CB 0.432 38.448 38.000 0.027 0.000 1.082 716 I HN 0.875 nan 8.210 nan 0.000 0.432 717 S N -0.616 115.139 115.700 0.091 0.000 2.399 717 S HA -0.143 4.326 4.470 -0.003 0.000 0.231 717 S C 1.973 176.685 174.600 0.187 0.000 1.022 717 S CA 1.415 59.661 58.200 0.077 0.000 0.983 717 S CB -0.572 62.606 63.200 -0.035 0.000 0.803 717 S HN 0.468 nan 8.310 nan 0.000 0.480 718 S N 0.580 116.380 115.700 0.166 0.000 2.395 718 S HA 0.053 4.521 4.470 -0.003 0.000 0.225 718 S C 1.519 176.238 174.600 0.198 0.000 1.027 718 S CA 0.765 59.069 58.200 0.173 0.000 0.965 718 S CB -0.551 62.687 63.200 0.065 0.000 0.812 718 S HN 0.653 nan 8.310 nan 0.000 0.482 719 Y N 2.733 123.081 120.300 0.080 0.000 2.293 719 Y HA 0.078 4.627 4.550 -0.003 0.000 0.291 719 Y C 1.154 177.105 175.900 0.085 0.000 1.137 719 Y CA 0.739 58.872 58.100 0.054 0.000 1.202 719 Y CB -0.085 38.401 38.460 0.044 0.000 0.990 719 Y HN 0.027 nan 8.280 nan 0.000 0.537 720 R N 0.164 120.867 120.500 0.339 0.000 2.623 720 R HA 0.138 4.476 4.340 -0.003 0.000 0.271 720 R C 1.374 177.718 176.300 0.073 0.000 1.043 720 R CA 0.981 57.242 56.100 0.269 0.000 1.083 720 R CB -0.100 30.400 30.300 0.334 0.000 0.974 720 R HN 0.644 nan 8.270 nan 0.000 0.436 721 G N 2.519 111.255 108.800 -0.107 0.000 2.238 721 G HA2 -0.355 3.604 3.960 -0.003 0.000 0.270 721 G HA3 -0.355 3.604 3.960 -0.003 0.000 0.270 721 G C 0.861 175.594 174.900 -0.278 0.000 0.977 721 G CA 0.782 45.706 45.100 -0.293 0.000 0.639 721 G HN 0.861 nan 8.290 nan 0.000 0.544 722 G N 0.453 109.082 108.800 -0.284 0.000 2.653 722 G HA2 0.420 4.378 3.960 -0.003 0.000 0.212 722 G HA3 0.420 4.378 3.960 -0.003 0.000 0.212 722 G C 1.647 176.415 174.900 -0.219 0.000 1.138 722 G CA 1.332 46.258 45.100 -0.291 0.000 0.782 722 G HN 2.006 nan 8.290 nan 0.000 0.535 723 G N 0.721 109.434 108.800 -0.145 0.000 2.366 723 G HA2 -0.302 3.657 3.960 -0.003 0.000 0.299 723 G HA3 -0.302 3.657 3.960 -0.003 0.000 0.299 723 G C 0.353 175.251 174.900 -0.003 0.000 1.020 723 G CA 0.172 45.282 45.100 0.017 0.000 1.026 723 G HN 0.658 nan 8.290 nan 0.000 0.512 724 N N 0.027 118.582 118.700 -0.241 0.000 3.243 724 N HA 0.352 5.090 4.740 -0.003 0.000 0.310 724 N C -0.438 174.513 175.510 -0.932 0.000 1.313 724 N CA 0.431 53.183 53.050 -0.497 0.000 1.204 724 N CB 0.065 38.214 38.487 -0.564 0.000 1.483 724 N HN 0.333 nan 8.380 nan 0.000 0.553 725 F N 0.302 120.275 119.950 0.038 0.000 2.664 725 F HA 0.385 4.910 4.527 -0.003 0.000 0.329 725 F C 0.278 176.137 175.800 0.098 0.000 1.090 725 F CA -1.168 56.913 58.000 0.135 0.000 0.978 725 F CB 1.616 40.776 39.000 0.266 0.000 1.378 725 F HN -0.033 nan 8.300 nan 0.000 0.495 726 E N 0.687 121.043 120.200 0.259 0.000 2.234 726 E HA 0.711 5.059 4.350 -0.003 0.000 0.266 726 E C -1.610 175.014 176.600 0.039 0.000 0.877 726 E CA -0.972 55.495 56.400 0.112 0.000 0.758 726 E CB 1.799 31.545 29.700 0.075 0.000 1.170 726 E HN 0.733 nan 8.360 nan 0.000 0.415 727 A N 5.551 128.320 122.820 -0.085 0.000 2.302 727 A HA 0.384 4.702 4.320 -0.003 0.000 0.295 727 A C -0.315 177.207 177.584 -0.104 0.000 1.235 727 A CA -0.534 51.347 52.037 -0.259 0.000 0.876 727 A CB 0.010 18.778 19.000 -0.387 0.000 1.133 727 A HN 0.733 nan 8.150 nan 0.000 0.533 728 I N 2.595 123.138 120.570 -0.046 0.000 2.359 728 I HA 0.591 4.760 4.170 -0.003 0.000 0.294 728 I C 0.979 177.145 176.117 0.082 0.000 0.987 728 I CA 1.051 62.351 61.300 0.000 0.000 1.225 728 I CB 1.198 39.192 38.000 -0.009 0.000 1.366 728 I HN 1.073 nan 8.210 nan 0.000 0.466 729 G N 6.290 115.140 108.800 0.083 0.000 2.279 729 G HA2 -0.200 3.759 3.960 -0.003 0.000 0.223 729 G HA3 -0.200 3.759 3.960 -0.003 0.000 0.223 729 G C -0.067 174.923 174.900 0.150 0.000 1.015 729 G CA 0.083 45.298 45.100 0.192 0.000 0.621 729 G HN 0.563 nan 8.290 nan 0.000 0.506 730 L N 1.827 123.059 121.223 0.015 0.000 2.360 730 L HA 0.682 5.021 4.340 -0.003 0.000 0.271 730 L C 1.236 178.094 176.870 -0.020 0.000 1.057 730 L CA -0.318 54.471 54.840 -0.086 0.000 0.803 730 L CB 1.715 43.649 42.059 -0.208 0.000 1.207 730 L HN 0.353 nan 8.230 nan 0.000 0.445 731 S N 1.476 117.177 115.700 0.003 0.000 2.549 731 S HA 0.138 4.606 4.470 -0.003 0.000 0.283 731 S C 1.147 175.769 174.600 0.036 0.000 1.320 731 S CA -0.300 57.914 58.200 0.022 0.000 1.058 731 S CB 0.887 64.102 63.200 0.025 0.000 0.882 731 S HN 0.709 nan 8.310 nan 0.000 0.498 732 R N 2.937 123.453 120.500 0.026 0.000 2.154 732 R HA -0.224 4.115 4.340 -0.003 0.000 0.236 732 R C 2.673 178.992 176.300 0.031 0.000 1.121 732 R CA 2.195 58.311 56.100 0.027 0.000 0.915 732 R CB -1.284 29.025 30.300 0.014 0.000 0.856 732 R HN 0.929 nan 8.270 nan 0.000 0.431 733 A N 1.078 123.909 122.820 0.017 0.000 1.881 733 A HA -0.271 4.048 4.320 -0.003 0.000 0.219 733 A C 2.041 179.630 177.584 0.008 0.000 1.215 733 A CA 1.906 53.944 52.037 0.002 0.000 0.648 733 A CB -1.025 17.973 19.000 -0.004 0.000 0.832 733 A HN 0.343 nan 8.150 nan 0.000 0.455 734 L N 0.201 121.455 121.223 0.052 0.000 1.978 734 L HA -0.192 4.146 4.340 -0.003 0.000 0.218 734 L C 2.482 179.457 176.870 0.174 0.000 1.075 734 L CA 2.590 57.505 54.840 0.125 0.000 0.767 734 L CB -1.076 41.083 42.059 0.167 0.000 0.890 734 L HN 0.239 nan 8.230 nan 0.000 0.434 735 V N -0.080 119.975 119.914 0.234 0.000 2.688 735 V HA -0.265 3.854 4.120 -0.003 0.000 0.256 735 V C 2.626 178.864 176.094 0.241 0.000 1.084 735 V CA 1.439 63.976 62.300 0.395 0.000 1.103 735 V CB -1.682 30.280 31.823 0.232 0.000 0.688 735 V HN 0.627 nan 8.190 nan 0.000 0.480 736 A N 0.511 123.383 122.820 0.086 0.000 1.844 736 A HA -0.104 4.215 4.320 -0.003 0.000 0.212 736 A C 2.194 179.734 177.584 -0.074 0.000 1.221 736 A CA 1.299 53.346 52.037 0.017 0.000 0.607 736 A CB -0.582 18.412 19.000 -0.010 0.000 0.878 736 A HN 0.498 nan 8.150 nan 0.000 0.451 737 E N 0.456 120.558 120.200 -0.162 0.000 2.095 737 E HA -0.281 4.068 4.350 -0.003 0.000 0.212 737 E C 1.532 177.851 176.600 -0.469 0.000 1.044 737 E CA 2.447 58.624 56.400 -0.372 0.000 0.857 737 E CB -0.452 28.900 29.700 -0.580 0.000 0.764 737 E HN 0.774 nan 8.360 nan 0.000 0.462 738 H N -2.165 116.730 119.070 -0.293 0.000 2.652 738 H HA 0.234 4.788 4.556 -0.003 0.000 0.274 738 H C -0.150 174.767 175.328 -0.685 0.000 1.021 738 H CA 0.003 55.738 56.048 -0.522 0.000 1.187 738 H CB 0.275 29.564 29.762 -0.789 0.000 1.505 738 H HN 0.082 nan 8.280 nan 0.000 0.530 739 F N 0.469 120.499 119.950 0.134 0.000 2.631 739 F HA 0.429 4.954 4.527 -0.003 0.000 0.328 739 F C -1.985 173.852 175.800 0.062 0.000 1.067 739 F CA -2.789 55.270 58.000 0.098 0.000 0.969 739 F CB 0.413 39.488 39.000 0.124 0.000 1.332 739 F HN -0.217 nan 8.300 nan 0.000 0.490 740 P HA 0.066 nan 4.420 nan 0.000 0.276 740 P C -1.049 176.313 177.300 0.104 0.000 1.264 740 P CA -0.279 62.880 63.100 0.099 0.000 0.815 740 P CB 0.177 31.909 31.700 0.054 0.000 1.121 741 A N 0.750 123.592 122.820 0.037 0.000 2.491 741 A HA 0.447 4.765 4.320 -0.003 0.000 0.261 741 A C 0.005 177.624 177.584 0.058 0.000 1.101 741 A CA 0.626 52.687 52.037 0.040 0.000 0.772 741 A CB -0.902 18.098 19.000 0.000 0.000 1.043 741 A HN 0.384 nan 8.150 nan 0.000 0.501 742 M N 2.195 121.847 119.600 0.087 0.000 2.569 742 M HA 0.312 4.791 4.480 -0.003 0.000 0.279 742 M C -0.873 175.462 176.300 0.059 0.000 1.253 742 M CA -0.677 54.674 55.300 0.086 0.000 0.867 742 M CB 2.298 34.992 32.600 0.156 0.000 1.727 742 M HN 0.326 nan 8.290 nan 0.000 0.467 743 V N 1.169 121.105 119.914 0.036 0.000 2.732 743 V HA 0.384 4.502 4.120 -0.003 0.000 0.297 743 V C 0.166 176.267 176.094 0.012 0.000 1.060 743 V CA 0.037 62.349 62.300 0.020 0.000 1.038 743 V CB 1.627 33.456 31.823 0.009 0.000 1.003 743 V HN 0.871 nan 8.190 nan 0.000 0.481 744 S N 4.049 119.754 115.700 0.008 0.000 2.317 744 S HA 0.298 4.766 4.470 -0.003 0.000 0.144 744 S C 0.994 175.594 174.600 -0.000 0.000 1.660 744 S CA -0.708 57.488 58.200 -0.007 0.000 1.273 744 S CB 0.045 63.233 63.200 -0.019 0.000 1.330 744 S HN 0.703 nan 8.310 nan 0.000 0.395 745 R N 1.112 121.612 120.500 0.001 0.000 2.350 745 R HA -0.074 4.264 4.340 -0.003 0.000 0.246 745 R C -0.171 176.130 176.300 0.001 0.000 1.182 745 R CA 1.292 57.394 56.100 0.002 0.000 1.030 745 R CB -0.523 29.780 30.300 0.004 0.000 0.861 745 R HN 0.549 nan 8.270 nan 0.000 0.483 746 I N -0.149 120.420 120.570 -0.001 0.000 2.534 746 I HA 0.096 4.265 4.170 -0.003 0.000 0.288 746 I C 0.356 176.476 176.117 0.006 0.000 1.077 746 I CA -0.731 60.570 61.300 0.001 0.000 1.051 746 I CB 2.086 40.085 38.000 -0.002 0.000 1.234 746 I HN -0.072 nan 8.210 nan 0.000 0.425 747 S N 3.456 119.161 115.700 0.008 0.000 2.611 747 S HA 0.706 5.174 4.470 -0.003 0.000 0.252 747 S C 0.416 175.026 174.600 0.017 0.000 1.369 747 S CA 0.219 58.426 58.200 0.012 0.000 0.975 747 S CB 0.882 64.090 63.200 0.013 0.000 0.937 747 S HN 0.935 nan 8.310 nan 0.000 0.584 748 G N -0.429 108.383 108.800 0.020 0.000 3.321 748 G HA2 0.520 4.478 3.960 -0.003 0.000 0.169 748 G HA3 0.520 4.478 3.960 -0.003 0.000 0.169 748 G C -0.138 174.782 174.900 0.032 0.000 1.153 748 G CA -0.469 44.653 45.100 0.036 0.000 1.007 748 G HN 1.033 nan 8.290 nan 0.000 0.668 749 I N -0.322 120.265 120.570 0.029 0.000 3.211 749 I HA 0.755 4.923 4.170 -0.003 0.000 0.297 749 I C 0.641 176.759 176.117 0.003 0.000 1.095 749 I CA -0.401 60.914 61.300 0.026 0.000 1.239 749 I CB 1.051 39.061 38.000 0.016 0.000 1.455 749 I HN 0.648 nan 8.210 nan 0.000 0.630 750 G N 0.902 109.714 108.800 0.020 0.000 3.105 750 G HA2 0.433 4.392 3.960 -0.003 0.000 0.277 750 G HA3 0.433 4.392 3.960 -0.003 0.000 0.277 750 G C 0.352 175.257 174.900 0.009 0.000 1.375 750 G CA -0.928 44.185 45.100 0.020 0.000 0.962 750 G HN 0.681 nan 8.290 nan 0.000 0.541 751 L N -0.283 120.944 121.223 0.007 0.000 1.997 751 L HA -0.198 4.140 4.340 -0.003 0.000 0.216 751 L C 2.656 179.517 176.870 -0.015 0.000 1.074 751 L CA 1.724 56.546 54.840 -0.030 0.000 0.763 751 L CB -0.413 41.626 42.059 -0.034 0.000 0.890 751 L HN 0.434 nan 8.230 nan 0.000 0.434 752 N N 0.078 118.798 118.700 0.033 0.000 2.289 752 N HA -0.122 4.616 4.740 -0.003 0.000 0.184 752 N C 1.695 177.248 175.510 0.071 0.000 1.016 752 N CA 1.292 54.391 53.050 0.083 0.000 0.872 752 N CB -0.373 38.216 38.487 0.170 0.000 0.973 752 N HN 0.375 nan 8.380 nan 0.000 0.433 753 G N 0.496 109.337 108.800 0.069 0.000 2.439 753 G HA2 -0.056 3.903 3.960 -0.003 0.000 0.212 753 G HA3 -0.056 3.903 3.960 -0.003 0.000 0.212 753 G C 1.517 176.400 174.900 -0.029 0.000 1.199 753 G CA 0.204 45.311 45.100 0.012 0.000 0.807 753 G HN 0.200 nan 8.290 nan 0.000 0.537 754 I N 0.767 121.327 120.570 -0.017 0.000 2.093 754 I HA -0.405 3.764 4.170 -0.003 0.000 0.239 754 I C 2.861 178.987 176.117 0.015 0.000 1.026 754 I CA 2.242 63.533 61.300 -0.015 0.000 1.295 754 I CB -0.481 37.490 38.000 -0.047 0.000 1.007 754 I HN 0.312 nan 8.210 nan 0.000 0.401 755 Q N 1.392 121.178 119.800 -0.022 0.000 2.047 755 Q HA -0.342 3.996 4.340 -0.003 0.000 0.211 755 Q C 2.237 178.274 176.000 0.061 0.000 1.005 755 Q CA 2.899 58.708 55.803 0.009 0.000 0.866 755 Q CB -0.272 28.437 28.738 -0.049 0.000 0.938 755 Q HN 0.416 nan 8.270 nan 0.000 0.414 756 K N -0.011 120.370 120.400 -0.031 0.000 2.074 756 K HA -0.229 4.089 4.320 -0.003 0.000 0.209 756 K C 1.907 178.517 176.600 0.018 0.000 1.048 756 K CA 1.940 58.187 56.287 -0.065 0.000 0.926 756 K CB -0.072 32.247 32.500 -0.303 0.000 0.713 756 K HN 0.189 nan 8.250 nan 0.000 0.444 757 K N 0.360 120.787 120.400 0.046 0.000 2.057 757 K HA -0.066 4.253 4.320 -0.003 0.000 0.206 757 K C 2.143 178.893 176.600 0.250 0.000 1.050 757 K CA 1.293 57.663 56.287 0.138 0.000 0.935 757 K CB -0.107 32.470 32.500 0.129 0.000 0.715 757 K HN -0.023 nan 8.250 nan 0.000 0.439 758 V N 2.408 122.479 119.914 0.261 0.000 2.252 758 V HA -0.270 3.848 4.120 -0.003 0.000 0.249 758 V C 2.282 178.523 176.094 0.244 0.000 1.056 758 V CA 1.737 64.239 62.300 0.336 0.000 1.022 758 V CB -0.498 31.535 31.823 0.350 0.000 0.641 758 V HN 0.315 nan 8.190 nan 0.000 0.445 759 L N -0.535 120.801 121.223 0.188 0.000 2.261 759 L HA -0.215 4.123 4.340 -0.003 0.000 0.216 759 L C 2.531 179.494 176.870 0.155 0.000 1.114 759 L CA 1.500 56.412 54.840 0.121 0.000 0.777 759 L CB -0.516 41.604 42.059 0.102 0.000 0.910 759 L HN 0.493 nan 8.230 nan 0.000 0.440 760 E N -0.698 119.591 120.200 0.150 0.000 2.051 760 E HA -0.228 4.121 4.350 -0.003 0.000 0.189 760 E C 2.108 178.781 176.600 0.122 0.000 0.979 760 E CA 0.546 57.020 56.400 0.123 0.000 0.803 760 E CB 0.070 29.836 29.700 0.110 0.000 0.761 760 E HN 0.233 nan 8.360 nan 0.000 0.451 761 Q N 0.328 120.207 119.800 0.131 0.000 2.135 761 Q HA -0.223 4.115 4.340 -0.003 0.000 0.204 761 Q C 1.747 177.783 176.000 0.059 0.000 0.981 761 Q CA 1.784 57.609 55.803 0.036 0.000 0.856 761 Q CB -0.408 28.261 28.738 -0.115 0.000 0.902 761 Q HN 0.370 nan 8.270 nan 0.000 0.425 762 H N -0.674 118.408 119.070 0.019 0.000 2.290 762 H HA -0.070 4.485 4.556 -0.003 0.000 0.298 762 H C 1.659 177.042 175.328 0.092 0.000 1.087 762 H CA 2.337 58.416 56.048 0.051 0.000 1.291 762 H CB -0.307 29.459 29.762 0.006 0.000 1.369 762 H HN 0.308 nan 8.280 nan 0.000 0.492 763 A N -0.840 122.085 122.820 0.174 0.000 1.908 763 A HA -0.234 4.084 4.320 -0.003 0.000 0.218 763 A C 2.531 180.129 177.584 0.024 0.000 1.181 763 A CA 2.178 54.267 52.037 0.088 0.000 0.627 763 A CB -1.308 17.743 19.000 0.086 0.000 0.818 763 A HN 0.570 nan 8.150 nan 0.000 0.445 764 T N -0.597 113.965 114.554 0.014 0.000 2.751 764 T HA -0.128 4.220 4.350 -0.003 0.000 0.268 764 T C 1.588 176.232 174.700 -0.093 0.000 1.045 764 T CA 1.881 63.963 62.100 -0.030 0.000 1.142 764 T CB -0.264 68.586 68.868 -0.030 0.000 0.851 764 T HN 0.644 nan 8.240 nan 0.000 0.474 765 A N -1.572 121.166 122.820 -0.137 0.000 2.431 765 A HA 0.410 4.728 4.320 -0.003 0.000 0.239 765 A C 0.649 177.893 177.584 -0.567 0.000 1.230 765 A CA -0.175 51.669 52.037 -0.323 0.000 0.928 765 A CB 0.327 19.088 19.000 -0.397 0.000 1.006 765 A HN 0.578 nan 8.150 nan 0.000 0.520 766 Y N -1.410 118.741 120.300 -0.249 0.000 2.779 766 Y HA 0.235 4.783 4.550 -0.003 0.000 0.251 766 Y C 1.321 177.141 175.900 -0.133 0.000 1.145 766 Y CA -0.471 57.499 58.100 -0.217 0.000 1.201 766 Y CB 0.347 38.619 38.460 -0.313 0.000 1.281 766 Y HN 0.227 nan 8.280 nan 0.000 0.563 767 N N 1.142 119.844 118.700 0.004 0.000 2.356 767 N HA 0.033 4.771 4.740 -0.003 0.000 0.178 767 N C 0.111 175.611 175.510 -0.017 0.000 1.075 767 N CA 0.575 53.630 53.050 0.007 0.000 0.889 767 N CB 0.634 39.128 38.487 0.013 0.000 0.999 767 N HN 0.632 nan 8.380 nan 0.000 0.464 768 E N -0.977 119.193 120.200 -0.051 0.000 2.421 768 E HA 0.089 4.438 4.350 -0.003 0.000 0.278 768 E C -1.488 175.060 176.600 -0.086 0.000 1.141 768 E CA -0.607 55.760 56.400 -0.054 0.000 0.880 768 E CB 0.422 30.100 29.700 -0.036 0.000 1.381 768 E HN -0.141 nan 8.360 nan 0.000 0.436 769 E N -0.083 120.074 120.200 -0.072 0.000 2.565 769 E HA 0.174 4.523 4.350 -0.003 0.000 0.268 769 E C -0.799 175.746 176.600 -0.092 0.000 1.000 769 E CA 0.898 57.250 56.400 -0.080 0.000 0.964 769 E CB 0.648 30.314 29.700 -0.056 0.000 0.955 769 E HN 0.287 nan 8.360 nan 0.000 0.459 770 V N 3.963 123.815 119.914 -0.104 0.000 2.498 770 V HA 0.038 4.156 4.120 -0.003 0.000 0.283 770 V C 0.405 176.449 176.094 -0.083 0.000 1.015 770 V CA -0.457 61.782 62.300 -0.102 0.000 0.867 770 V CB 1.533 33.268 31.823 -0.148 0.000 1.025 770 V HN 0.606 nan 8.190 nan 0.000 0.441 771 V N 2.572 122.450 119.914 -0.061 0.000 2.685 771 V HA 0.424 4.543 4.120 -0.003 0.000 0.244 771 V C 0.972 177.041 176.094 -0.042 0.000 1.054 771 V CA 1.277 63.548 62.300 -0.048 0.000 1.076 771 V CB 0.322 32.123 31.823 -0.038 0.000 0.725 771 V HN 0.806 nan 8.190 nan 0.000 0.467 772 A N -0.002 122.794 122.820 -0.039 0.000 2.414 772 A HA 0.746 5.064 4.320 -0.003 0.000 0.306 772 A C -0.728 176.838 177.584 -0.029 0.000 1.054 772 A CA -0.581 51.438 52.037 -0.030 0.000 0.724 772 A CB 1.188 20.176 19.000 -0.021 0.000 1.267 772 A HN 0.227 nan 8.150 nan 0.000 0.418 773 L N 1.478 122.689 121.223 -0.020 0.000 2.472 773 L HA 0.310 4.648 4.340 -0.003 0.000 0.260 773 L C -1.942 174.929 176.870 0.003 0.000 1.209 773 L CA -1.594 53.239 54.840 -0.012 0.000 0.817 773 L CB -0.038 42.025 42.059 0.006 0.000 1.106 773 L HN 0.449 nan 8.230 nan 0.000 0.479 774 P HA 0.077 nan 4.420 nan 0.000 0.274 774 P C 0.671 177.996 177.300 0.042 0.000 1.256 774 P CA -0.574 62.541 63.100 0.024 0.000 0.795 774 P CB 0.659 32.379 31.700 0.033 0.000 1.038 775 V N -0.562 119.377 119.914 0.042 0.000 2.283 775 V HA 0.117 4.235 4.120 -0.003 0.000 0.243 775 V C 1.077 177.227 176.094 0.094 0.000 1.039 775 V CA 1.674 64.005 62.300 0.053 0.000 1.016 775 V CB -1.870 29.972 31.823 0.032 0.000 0.650 775 V HN 1.037 nan 8.190 nan 0.000 0.449 776 G N -0.826 108.039 108.800 0.108 0.000 2.788 776 G HA2 0.330 4.288 3.960 -0.003 0.000 0.686 776 G HA3 0.330 4.288 3.960 -0.003 0.000 0.686 776 G C 0.014 175.029 174.900 0.190 0.000 1.147 776 G CA -0.398 44.804 45.100 0.170 0.000 0.755 776 G HN 1.135 nan 8.290 nan 0.000 0.634 777 G N -0.203 108.749 108.800 0.253 0.000 4.988 777 G HA2 0.562 4.520 3.960 -0.003 0.000 0.227 777 G HA3 0.562 4.520 3.960 -0.003 0.000 0.227 777 G C 0.439 175.601 174.900 0.437 0.000 0.955 777 G CA 0.884 46.154 45.100 0.284 0.000 0.784 777 G HN 1.071 nan 8.290 nan 0.000 0.537 778 F N 0.177 120.250 119.950 0.204 0.000 2.222 778 F HA 0.263 4.788 4.527 -0.003 0.000 0.285 778 F C 1.765 177.586 175.800 0.036 0.000 1.068 778 F CA 0.829 58.857 58.000 0.046 0.000 1.265 778 F CB 0.387 39.317 39.000 -0.117 0.000 1.087 778 F HN 0.164 nan 8.300 nan 0.000 0.511 779 Y N 0.637 121.131 120.300 0.323 0.000 2.578 779 Y HA 0.209 4.757 4.550 -0.003 0.000 0.297 779 Y C 0.623 176.591 175.900 0.113 0.000 1.176 779 Y CA 0.424 58.615 58.100 0.152 0.000 1.315 779 Y CB -0.045 38.543 38.460 0.214 0.000 1.031 779 Y HN -0.062 nan 8.280 nan 0.000 0.524 780 R N -0.869 119.761 120.500 0.215 0.000 2.664 780 R HA 0.185 4.523 4.340 -0.003 0.000 0.260 780 R C -1.925 174.334 176.300 -0.068 0.000 1.062 780 R CA -0.896 55.222 56.100 0.030 0.000 0.902 780 R CB 0.769 31.127 30.300 0.095 0.000 1.258 780 R HN -0.088 nan 8.270 nan 0.000 0.465 781 F N 3.737 123.441 119.950 -0.411 0.000 2.472 781 F HA 0.404 4.930 4.527 -0.002 0.000 0.364 781 F C -0.171 175.587 175.800 -0.069 0.000 1.090 781 F CA 0.205 58.020 58.000 -0.308 0.000 1.188 781 F CB 0.443 39.284 39.000 -0.266 0.000 1.105 781 F HN 0.397 nan 8.300 nan 0.000 0.536 782 R N 3.955 124.072 120.500 -0.639 0.000 2.943 782 R HA 0.396 4.734 4.340 -0.003 0.000 0.246 782 R C 0.494 176.173 176.300 -1.035 0.000 1.201 782 R CA -1.050 54.689 56.100 -0.603 0.000 1.056 782 R CB 1.222 31.387 30.300 -0.224 0.000 1.243 782 R HN 0.478 nan 8.270 nan 0.000 0.498 783 K N 0.249 120.298 120.400 -0.585 0.000 2.520 783 K HA 0.172 4.490 4.320 -0.003 0.000 0.205 783 K C 0.193 176.665 176.600 -0.213 0.000 1.035 783 K CA 0.099 56.093 56.287 -0.487 0.000 1.188 783 K CB 0.586 32.958 32.500 -0.214 0.000 0.894 783 K HN 0.364 nan 8.250 nan 0.000 0.497 784 S N -0.326 115.252 115.700 -0.204 0.000 2.140 784 S HA 0.138 4.607 4.470 -0.003 0.000 0.218 784 S C 1.722 176.360 174.600 0.064 0.000 1.282 784 S CA 0.154 58.331 58.200 -0.039 0.000 1.050 784 S CB 0.067 63.257 63.200 -0.017 0.000 0.907 784 S HN 0.439 nan 8.310 nan 0.000 0.420 785 G N 0.505 109.358 108.800 0.089 0.000 2.404 785 G HA2 -0.036 3.923 3.960 -0.003 0.000 0.214 785 G HA3 -0.036 3.923 3.960 -0.003 0.000 0.214 785 G C 0.226 175.218 174.900 0.153 0.000 1.189 785 G CA 0.405 45.574 45.100 0.115 0.000 0.789 785 G HN 0.498 nan 8.290 nan 0.000 0.533 786 D N 0.980 121.494 120.400 0.190 0.000 2.390 786 D HA 0.286 4.924 4.640 -0.003 0.000 0.249 786 D C 0.411 176.880 176.300 0.281 0.000 1.144 786 D CA 0.037 54.148 54.000 0.185 0.000 0.880 786 D CB 1.064 41.993 40.800 0.215 0.000 1.182 786 D HN 0.184 nan 8.370 nan 0.000 0.451 787 R N 1.760 122.340 120.500 0.133 0.000 2.541 787 R HA 0.654 4.992 4.340 -0.003 0.000 0.254 787 R C -0.312 175.988 176.300 -0.001 0.000 1.130 787 R CA -0.532 55.652 56.100 0.140 0.000 1.152 787 R CB 0.636 30.947 30.300 0.019 0.000 1.222 787 R HN 0.455 nan 8.270 nan 0.000 0.579 788 H N -2.705 116.261 119.070 -0.174 0.000 2.990 788 H HA 0.307 4.862 4.556 -0.003 0.000 0.336 788 H C 0.638 175.820 175.328 -0.242 0.000 1.306 788 H CA -0.018 55.927 56.048 -0.172 0.000 1.118 788 H CB 1.715 31.401 29.762 -0.128 0.000 1.856 788 H HN 0.668 nan 8.280 nan 0.000 0.538 789 G N -0.217 108.515 108.800 -0.114 0.000 2.454 789 G HA2 -0.140 3.819 3.960 -0.003 0.000 0.214 789 G HA3 -0.140 3.819 3.960 -0.003 0.000 0.214 789 G C -0.248 174.440 174.900 -0.354 0.000 1.217 789 G CA -0.176 44.721 45.100 -0.340 0.000 0.799 789 G HN 0.500 nan 8.290 nan 0.000 0.538 790 W N 2.158 123.439 121.300 -0.031 0.000 2.546 790 W HA 0.531 5.189 4.660 -0.003 0.000 0.323 790 W C 0.129 176.537 176.519 -0.185 0.000 1.272 790 W CA -0.664 56.649 57.345 -0.053 0.000 1.404 790 W CB 0.507 29.961 29.460 -0.010 0.000 1.411 790 W HN 0.131 nan 8.180 nan 0.000 0.480 791 E N 1.119 121.297 120.200 -0.037 0.000 2.369 791 E HA 0.277 4.626 4.350 -0.003 0.000 0.270 791 E C 1.044 177.644 176.600 -0.001 0.000 0.909 791 E CA -0.700 55.466 56.400 -0.391 0.000 0.775 791 E CB 1.871 31.117 29.700 -0.756 0.000 1.270 791 E HN 0.496 nan 8.360 nan 0.000 0.445 792 G N 1.301 110.178 108.800 0.128 0.000 2.553 792 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.218 792 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.218 792 G C 1.256 176.248 174.900 0.153 0.000 1.195 792 G CA 1.246 46.450 45.100 0.173 0.000 0.779 792 G HN 0.626 nan 8.290 nan 0.000 0.577 793 G N -0.017 108.864 108.800 0.134 0.000 2.476 793 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.218 793 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.218 793 G C 1.809 176.813 174.900 0.173 0.000 1.164 793 G CA 1.262 46.446 45.100 0.141 0.000 0.768 793 G HN 0.372 nan 8.290 nan 0.000 0.560 794 V N 1.504 121.510 119.914 0.154 0.000 2.295 794 V HA -0.151 3.968 4.120 -0.003 0.000 0.246 794 V C 2.850 179.098 176.094 0.256 0.000 1.049 794 V CA 1.650 64.085 62.300 0.226 0.000 1.024 794 V CB -0.308 31.611 31.823 0.161 0.000 0.648 794 V HN 0.425 nan 8.190 nan 0.000 0.447 795 I N -0.461 120.264 120.570 0.259 0.000 2.264 795 I HA -0.287 3.882 4.170 -0.003 0.000 0.248 795 I C 2.446 178.638 176.117 0.125 0.000 1.111 795 I CA 2.155 63.565 61.300 0.184 0.000 1.382 795 I CB -0.978 37.108 38.000 0.142 0.000 1.060 795 I HN 0.444 nan 8.210 nan 0.000 0.418 796 H N 1.808 120.908 119.070 0.050 0.000 2.256 796 H HA -0.145 4.410 4.556 -0.003 0.000 0.299 796 H C 2.295 177.634 175.328 0.018 0.000 1.071 796 H CA 2.574 58.640 56.048 0.030 0.000 1.280 796 H CB -0.508 29.279 29.762 0.041 0.000 1.370 796 H HN 0.145 nan 8.280 nan 0.000 0.490 797 T N 1.361 115.933 114.554 0.030 0.000 2.685 797 T HA -0.219 4.130 4.350 -0.003 0.000 0.268 797 T C 2.084 176.720 174.700 -0.106 0.000 1.034 797 T CA 1.528 63.602 62.100 -0.043 0.000 1.149 797 T CB -0.586 68.326 68.868 0.075 0.000 0.860 797 T HN 0.217 nan 8.240 nan 0.000 0.449 798 L N 0.907 122.012 121.223 -0.196 0.000 2.046 798 L HA -0.056 4.282 4.340 -0.003 0.000 0.208 798 L C 2.499 179.305 176.870 -0.107 0.000 1.077 798 L CA 1.710 56.347 54.840 -0.339 0.000 0.747 798 L CB -0.753 40.974 42.059 -0.553 0.000 0.896 798 L HN 0.238 nan 8.230 nan 0.000 0.432 799 Q N -1.100 118.639 119.800 -0.102 0.000 2.084 799 Q HA -0.243 4.096 4.340 -0.003 0.000 0.202 799 Q C 2.266 178.216 176.000 -0.082 0.000 0.978 799 Q CA 1.868 57.625 55.803 -0.077 0.000 0.844 799 Q CB -0.177 28.523 28.738 -0.065 0.000 0.898 799 Q HN 0.640 nan 8.270 nan 0.000 0.426 800 Q N -0.011 119.687 119.800 -0.170 0.000 2.014 800 Q HA -0.243 4.096 4.340 -0.003 0.000 0.207 800 Q C 2.191 178.181 176.000 -0.018 0.000 0.993 800 Q CA 1.551 57.260 55.803 -0.157 0.000 0.850 800 Q CB -0.312 28.277 28.738 -0.247 0.000 0.916 800 Q HN 0.411 nan 8.270 nan 0.000 0.417 801 A N 0.452 123.293 122.820 0.035 0.000 1.884 801 A HA -0.214 4.104 4.320 -0.003 0.000 0.219 801 A C 2.234 180.012 177.584 0.323 0.000 1.197 801 A CA 2.355 54.508 52.037 0.193 0.000 0.637 801 A CB -1.014 18.154 19.000 0.281 0.000 0.827 801 A HN 0.367 nan 8.150 nan 0.000 0.450 802 V N -3.579 116.476 119.914 0.234 0.000 2.951 802 V HA -0.047 4.071 4.120 -0.003 0.000 0.255 802 V C 2.126 178.255 176.094 0.058 0.000 1.088 802 V CA 2.091 64.480 62.300 0.148 0.000 1.109 802 V CB -1.248 30.601 31.823 0.044 0.000 0.724 802 V HN 0.399 nan 8.190 nan 0.000 0.471 803 T N 1.451 116.027 114.554 0.038 0.000 2.809 803 T HA -0.024 4.324 4.350 -0.003 0.000 0.260 803 T C 1.713 176.427 174.700 0.023 0.000 1.039 803 T CA 1.740 63.841 62.100 0.002 0.000 1.141 803 T CB -0.350 68.504 68.868 -0.023 0.000 0.869 803 T HN 0.492 nan 8.240 nan 0.000 0.437 804 N N 1.365 120.092 118.700 0.044 0.000 2.515 804 N HA -0.011 4.727 4.740 -0.003 0.000 0.185 804 N C 0.232 175.797 175.510 0.092 0.000 1.109 804 N CA 0.391 53.471 53.050 0.050 0.000 0.903 804 N CB -0.213 38.298 38.487 0.040 0.000 0.969 804 N HN 0.284 nan 8.380 nan 0.000 0.450 805 D N 0.036 120.525 120.400 0.149 0.000 2.716 805 D HA -0.159 4.480 4.640 -0.003 0.000 0.239 805 D C -0.837 175.652 176.300 0.314 0.000 1.125 805 D CA 0.493 54.645 54.000 0.254 0.000 0.681 805 D CB -1.379 39.508 40.800 0.145 0.000 1.070 805 D HN 0.284 nan 8.370 nan 0.000 0.432 806 S N -0.014 115.837 115.700 0.251 0.000 2.454 806 S HA 0.445 4.914 4.470 -0.003 0.000 0.306 806 S C 0.687 175.211 174.600 -0.127 0.000 1.100 806 S CA -0.684 57.580 58.200 0.108 0.000 1.087 806 S CB 1.478 64.708 63.200 0.050 0.000 1.019 806 S HN 0.203 nan 8.310 nan 0.000 0.480 807 Y N 4.073 124.130 120.300 -0.406 0.000 2.395 807 Y HA 0.092 4.641 4.550 -0.002 0.000 0.293 807 Y C 2.128 177.848 175.900 -0.299 0.000 1.123 807 Y CA 1.627 59.269 58.100 -0.764 0.000 1.227 807 Y CB -0.673 37.500 38.460 -0.478 0.000 1.012 807 Y HN 0.763 nan 8.280 nan 0.000 0.552 808 T N -0.704 113.744 114.554 -0.177 0.000 2.915 808 T HA -0.133 4.215 4.350 -0.003 0.000 0.269 808 T C 1.734 176.343 174.700 -0.151 0.000 1.071 808 T CA 1.940 63.930 62.100 -0.184 0.000 1.132 808 T CB -0.281 68.542 68.868 -0.075 0.000 0.878 808 T HN 0.356 nan 8.240 nan 0.000 0.479 809 T N 1.318 115.815 114.554 -0.095 0.000 2.851 809 T HA 0.090 4.439 4.350 -0.003 0.000 0.262 809 T C 1.475 176.167 174.700 -0.014 0.000 1.043 809 T CA 0.322 62.400 62.100 -0.037 0.000 1.140 809 T CB -0.378 68.492 68.868 0.002 0.000 0.872 809 T HN 0.278 nan 8.240 nan 0.000 0.446 810 F N 2.277 122.114 119.950 -0.188 0.000 2.063 810 F HA -0.153 4.372 4.527 -0.003 0.000 0.298 810 F C 2.201 177.957 175.800 -0.073 0.000 1.109 810 F CA 1.533 59.487 58.000 -0.078 0.000 1.212 810 F CB -0.214 38.605 39.000 -0.301 0.000 0.973 810 F HN -0.023 nan 8.300 nan 0.000 0.480 811 K N -0.040 120.225 120.400 -0.225 0.000 2.360 811 K HA -0.238 4.081 4.320 -0.003 0.000 0.201 811 K C 1.976 178.439 176.600 -0.228 0.000 1.046 811 K CA 1.560 57.670 56.287 -0.294 0.000 0.940 811 K CB -0.138 32.118 32.500 -0.406 0.000 0.748 811 K HN 0.399 nan 8.250 nan 0.000 0.465 812 K N -0.507 119.799 120.400 -0.158 0.000 2.262 812 K HA -0.126 4.193 4.320 -0.003 0.000 0.200 812 K C 2.007 178.547 176.600 -0.100 0.000 1.049 812 K CA 0.488 56.709 56.287 -0.110 0.000 0.979 812 K CB -0.216 32.246 32.500 -0.063 0.000 0.773 812 K HN 0.089 nan 8.250 nan 0.000 0.474 813 Y N 2.242 122.394 120.300 -0.247 0.000 2.089 813 Y HA -0.212 4.336 4.550 -0.003 0.000 0.282 813 Y C 2.417 178.145 175.900 -0.286 0.000 1.139 813 Y CA 2.187 60.136 58.100 -0.252 0.000 1.123 813 Y CB -0.939 37.325 38.460 -0.327 0.000 0.980 813 Y HN 0.231 nan 8.280 nan 0.000 0.493 814 S N -0.209 114.865 115.700 -1.043 0.000 2.387 814 S HA -0.297 4.172 4.470 -0.003 0.000 0.230 814 S C 1.951 176.248 174.600 -0.505 0.000 1.035 814 S CA 1.594 59.221 58.200 -0.955 0.000 1.014 814 S CB -0.797 62.012 63.200 -0.650 0.000 0.836 814 S HN 0.636 nan 8.310 nan 0.000 0.466 815 E N 1.457 121.455 120.200 -0.337 0.000 2.051 815 E HA -0.150 4.198 4.350 -0.003 0.000 0.192 815 E C 2.334 178.813 176.600 -0.202 0.000 0.991 815 E CA 1.655 57.923 56.400 -0.219 0.000 0.799 815 E CB -0.614 28.992 29.700 -0.157 0.000 0.748 815 E HN 0.735 nan 8.360 nan 0.000 0.449 816 Q N -0.570 119.113 119.800 -0.196 0.000 2.133 816 Q HA -0.183 4.155 4.340 -0.003 0.000 0.208 816 Q C 2.216 178.100 176.000 -0.193 0.000 0.991 816 Q CA 1.889 57.606 55.803 -0.144 0.000 0.867 816 Q CB -0.094 28.594 28.738 -0.083 0.000 0.911 816 Q HN 0.239 nan 8.270 nan 0.000 0.417 817 V N 1.191 120.915 119.914 -0.317 0.000 2.453 817 V HA -0.181 3.937 4.120 -0.003 0.000 0.247 817 V C 1.512 177.451 176.094 -0.258 0.000 1.048 817 V CA 1.485 63.584 62.300 -0.335 0.000 1.049 817 V CB -0.304 31.197 31.823 -0.537 0.000 0.672 817 V HN 0.374 nan 8.190 nan 0.000 0.457 818 N N -0.236 118.319 118.700 -0.241 0.000 2.422 818 N HA -0.016 4.722 4.740 -0.003 0.000 0.181 818 N C 1.292 176.724 175.510 -0.130 0.000 1.080 818 N CA 0.467 53.412 53.050 -0.175 0.000 0.893 818 N CB 0.004 38.395 38.487 -0.161 0.000 0.973 818 N HN 0.280 nan 8.380 nan 0.000 0.456 819 K N 1.265 121.590 120.400 -0.125 0.000 2.469 819 K HA 0.148 4.466 4.320 -0.003 0.000 0.201 819 K C 0.530 177.083 176.600 -0.080 0.000 1.028 819 K CA 0.019 56.252 56.287 -0.091 0.000 1.170 819 K CB 0.375 32.828 32.500 -0.079 0.000 0.874 819 K HN 0.298 nan 8.250 nan 0.000 0.507 820 R N 0.562 121.007 120.500 -0.092 0.000 2.602 820 R HA 0.412 4.750 4.340 -0.003 0.000 0.237 820 R C -2.247 174.013 176.300 -0.067 0.000 1.219 820 R CA -1.890 54.165 56.100 -0.075 0.000 1.121 820 R CB -0.826 29.420 30.300 -0.090 0.000 1.408 820 R HN -0.161 nan 8.270 nan 0.000 0.559 821 P HA 0.153 nan 4.420 nan 0.000 0.272 821 P C -2.448 174.813 177.300 -0.065 0.000 1.230 821 P CA -1.067 62.004 63.100 -0.049 0.000 0.788 821 P CB -0.182 31.497 31.700 -0.035 0.000 0.949 822 P HA 0.215 nan 4.420 nan 0.000 0.271 822 P C 0.018 177.266 177.300 -0.087 0.000 1.216 822 P CA 0.226 63.281 63.100 -0.075 0.000 0.776 822 P CB 0.444 32.108 31.700 -0.061 0.000 0.881 823 M N 0.405 119.939 119.600 -0.109 0.000 2.188 823 M HA 0.165 4.643 4.480 -0.003 0.000 0.310 823 M C -0.175 176.041 176.300 -0.141 0.000 0.993 823 M CA 0.530 55.755 55.300 -0.124 0.000 1.127 823 M CB 0.778 33.294 32.600 -0.141 0.000 1.927 823 M HN 0.249 nan 8.290 nan 0.000 0.655 824 Q N -0.422 119.290 119.800 -0.148 0.000 2.495 824 Q HA 0.453 4.791 4.340 -0.003 0.000 0.287 824 Q C 0.320 176.212 176.000 -0.180 0.000 1.078 824 Q CA -0.312 55.383 55.803 -0.180 0.000 0.793 824 Q CB 1.925 30.545 28.738 -0.197 0.000 1.459 824 Q HN 0.244 nan 8.270 nan 0.000 0.422 825 L N 0.790 121.882 121.223 -0.217 0.000 2.046 825 L HA -0.203 4.135 4.340 -0.003 0.000 0.208 825 L C 1.920 178.687 176.870 -0.172 0.000 1.077 825 L CA 1.745 56.474 54.840 -0.185 0.000 0.747 825 L CB -0.359 41.583 42.059 -0.196 0.000 0.896 825 L HN 0.629 nan 8.230 nan 0.000 0.432 826 R N -0.386 119.976 120.500 -0.230 0.000 2.159 826 R HA -0.153 4.185 4.340 -0.003 0.000 0.237 826 R C 1.371 177.609 176.300 -0.103 0.000 1.131 826 R CA 1.482 57.484 56.100 -0.163 0.000 0.982 826 R CB -0.744 29.457 30.300 -0.164 0.000 0.868 826 R HN 0.276 nan 8.270 nan 0.000 0.453 827 D N 1.198 121.530 120.400 -0.114 0.000 2.264 827 D HA -0.057 4.582 4.640 -0.003 0.000 0.208 827 D C 1.513 177.774 176.300 -0.065 0.000 0.966 827 D CA 0.869 54.816 54.000 -0.088 0.000 0.864 827 D CB 0.051 40.791 40.800 -0.099 0.000 0.933 827 D HN 0.296 nan 8.370 nan 0.000 0.499 828 L N 0.241 121.425 121.223 -0.065 0.000 2.612 828 L HA 0.151 4.490 4.340 -0.003 0.000 0.230 828 L C 0.377 177.234 176.870 -0.022 0.000 1.140 828 L CA 0.083 54.898 54.840 -0.042 0.000 0.896 828 L CB 0.030 42.062 42.059 -0.045 0.000 1.065 828 L HN -0.132 nan 8.230 nan 0.000 0.447 829 L N -0.252 120.959 121.223 -0.020 0.000 2.334 829 L HA 0.416 4.755 4.340 -0.003 0.000 0.276 829 L C -0.033 176.852 176.870 0.025 0.000 1.014 829 L CA -0.391 54.454 54.840 0.007 0.000 0.815 829 L CB 2.291 44.349 42.059 -0.002 0.000 1.268 829 L HN -0.009 nan 8.230 nan 0.000 0.428 830 E N 2.476 122.716 120.200 0.067 0.000 2.212 830 E HA 0.536 4.884 4.350 -0.003 0.000 0.270 830 E C -1.463 175.217 176.600 0.133 0.000 0.956 830 E CA -0.732 55.713 56.400 0.075 0.000 0.825 830 E CB 1.642 31.381 29.700 0.066 0.000 1.167 830 E HN 0.450 nan 8.360 nan 0.000 0.400 831 L N 4.136 125.421 121.223 0.103 0.000 2.294 831 L HA 0.542 4.880 4.340 -0.003 0.000 0.283 831 L C 0.044 177.002 176.870 0.146 0.000 1.015 831 L CA -0.510 54.410 54.840 0.133 0.000 0.831 831 L CB 1.209 43.314 42.059 0.077 0.000 1.217 831 L HN 0.469 nan 8.230 nan 0.000 0.420 832 R N 1.558 122.200 120.500 0.236 0.000 2.803 832 R HA 0.715 5.053 4.340 -0.003 0.000 0.276 832 R C -0.627 175.810 176.300 0.229 0.000 0.978 832 R CA -0.223 55.956 56.100 0.131 0.000 0.939 832 R CB 2.587 32.830 30.300 -0.095 0.000 1.179 832 R HN 0.731 nan 8.270 nan 0.000 0.472 833 S N -0.488 115.309 115.700 0.160 0.000 2.720 833 S HA 0.323 4.792 4.470 -0.003 0.000 0.287 833 S C 0.071 174.739 174.600 0.113 0.000 1.168 833 S CA -0.322 57.994 58.200 0.193 0.000 0.832 833 S CB 1.734 65.097 63.200 0.273 0.000 1.166 833 S HN 0.660 nan 8.310 nan 0.000 0.493 834 T N -0.801 113.812 114.554 0.097 0.000 3.129 834 T HA 0.414 4.762 4.350 -0.003 0.000 0.267 834 T C 0.038 174.736 174.700 -0.003 0.000 1.018 834 T CA -0.417 61.708 62.100 0.043 0.000 0.903 834 T CB -0.331 68.566 68.868 0.048 0.000 1.067 834 T HN 0.523 nan 8.240 nan 0.000 0.549 835 K N 1.261 121.638 120.400 -0.038 0.000 2.123 835 K HA 0.788 5.106 4.320 -0.003 0.000 0.248 835 K C -0.188 176.371 176.600 -0.069 0.000 0.969 835 K CA -0.864 55.363 56.287 -0.100 0.000 0.882 835 K CB 1.800 34.151 32.500 -0.249 0.000 1.080 835 K HN 0.204 nan 8.250 nan 0.000 0.441 836 A N 2.366 125.146 122.820 -0.067 0.000 2.304 836 A HA 0.439 4.758 4.320 -0.003 0.000 0.271 836 A C -2.283 175.268 177.584 -0.056 0.000 1.091 836 A CA -1.323 50.688 52.037 -0.045 0.000 0.812 836 A CB -0.328 18.651 19.000 -0.036 0.000 1.056 836 A HN 0.410 nan 8.150 nan 0.000 0.489 837 P HA 0.377 nan 4.420 nan 0.000 0.272 837 P C -0.802 176.483 177.300 -0.025 0.000 1.230 837 P CA -0.212 62.876 63.100 -0.019 0.000 0.788 837 P CB 0.701 32.400 31.700 -0.002 0.000 0.949 838 V N 2.519 122.424 119.914 -0.015 0.000 3.019 838 V HA 0.452 4.571 4.120 -0.003 0.000 0.317 838 V C -2.153 173.942 176.094 0.001 0.000 1.094 838 V CA -2.038 60.254 62.300 -0.014 0.000 1.000 838 V CB 1.685 33.497 31.823 -0.018 0.000 1.060 838 V HN 0.598 nan 8.190 nan 0.000 0.443 839 P HA 0.110 nan 4.420 nan 0.000 0.271 839 P C 0.897 178.203 177.300 0.009 0.000 1.220 839 P CA 0.259 63.362 63.100 0.005 0.000 0.768 839 P CB 1.299 32.999 31.700 0.000 0.000 0.848 840 V N 3.643 123.566 119.914 0.015 0.000 2.282 840 V HA -0.313 3.805 4.120 -0.003 0.000 0.249 840 V C 1.731 177.830 176.094 0.007 0.000 1.057 840 V CA 2.571 64.881 62.300 0.016 0.000 1.032 840 V CB -1.211 30.625 31.823 0.021 0.000 0.645 840 V HN 0.553 nan 8.190 nan 0.000 0.447 841 D N -0.375 120.027 120.400 0.003 0.000 2.218 841 D HA -0.275 4.363 4.640 -0.003 0.000 0.194 841 D C 2.048 178.347 176.300 -0.002 0.000 1.007 841 D CA 1.737 55.736 54.000 -0.002 0.000 0.879 841 D CB -0.265 40.534 40.800 -0.002 0.000 0.918 841 D HN 0.546 nan 8.370 nan 0.000 0.449 842 E N -0.241 119.960 120.200 0.001 0.000 2.338 842 E HA -0.017 4.331 4.350 -0.003 0.000 0.197 842 E C 0.179 176.782 176.600 0.005 0.000 1.007 842 E CA 0.050 56.451 56.400 0.001 0.000 0.849 842 E CB 0.384 30.084 29.700 0.000 0.000 0.774 842 E HN 0.073 nan 8.360 nan 0.000 0.506 843 V N 1.337 121.256 119.914 0.009 0.000 3.133 843 V HA -0.010 4.108 4.120 -0.003 0.000 0.305 843 V C 0.726 176.821 176.094 0.002 0.000 1.084 843 V CA -0.403 61.906 62.300 0.014 0.000 1.089 843 V CB 1.339 33.173 31.823 0.018 0.000 1.073 843 V HN 0.186 nan 8.190 nan 0.000 0.477 844 E N 0.990 121.191 120.200 0.002 0.000 2.521 844 E HA -0.013 4.336 4.350 -0.003 0.000 0.270 844 E C 0.256 176.840 176.600 -0.026 0.000 1.082 844 E CA 0.274 56.666 56.400 -0.013 0.000 0.997 844 E CB 0.456 30.147 29.700 -0.015 0.000 0.990 844 E HN 0.895 nan 8.360 nan 0.000 0.458 845 S N 2.571 118.249 115.700 -0.036 0.000 2.672 845 S HA 0.218 4.686 4.470 -0.003 0.000 0.276 845 S C 1.360 175.921 174.600 -0.064 0.000 1.207 845 S CA -0.791 57.383 58.200 -0.044 0.000 1.002 845 S CB 0.882 64.057 63.200 -0.040 0.000 0.998 845 S HN 0.599 nan 8.310 nan 0.000 0.542 846 I N 1.166 121.698 120.570 -0.064 0.000 2.099 846 I HA -0.212 3.956 4.170 -0.003 0.000 0.239 846 I C 2.697 178.762 176.117 -0.088 0.000 1.066 846 I CA 1.691 62.944 61.300 -0.078 0.000 1.324 846 I CB -1.118 36.846 38.000 -0.061 0.000 1.037 846 I HN 0.766 nan 8.210 nan 0.000 0.401 847 T N 1.046 115.561 114.554 -0.066 0.000 2.653 847 T HA -0.332 4.016 4.350 -0.003 0.000 0.267 847 T C 1.924 176.576 174.700 -0.080 0.000 1.037 847 T CA 1.933 63.996 62.100 -0.062 0.000 1.159 847 T CB -0.521 68.317 68.868 -0.049 0.000 0.859 847 T HN 0.554 nan 8.240 nan 0.000 0.449 848 A N 0.987 123.758 122.820 -0.082 0.000 1.841 848 A HA 0.002 4.321 4.320 -0.003 0.000 0.214 848 A C 2.365 179.863 177.584 -0.143 0.000 1.195 848 A CA 1.387 53.371 52.037 -0.089 0.000 0.611 848 A CB -0.812 18.145 19.000 -0.071 0.000 0.835 848 A HN 0.513 nan 8.150 nan 0.000 0.443 849 I N 0.410 120.870 120.570 -0.184 0.000 2.163 849 I HA -0.316 3.852 4.170 -0.003 0.000 0.243 849 I C 2.705 178.461 176.117 -0.602 0.000 1.085 849 I CA 1.877 62.981 61.300 -0.326 0.000 1.347 849 I CB -0.501 37.312 38.000 -0.312 0.000 1.044 849 I HN 0.492 nan 8.210 nan 0.000 0.408 850 R N 1.474 121.688 120.500 -0.476 0.000 2.200 850 R HA -0.178 4.160 4.340 -0.003 0.000 0.234 850 R C 1.811 177.939 176.300 -0.287 0.000 1.127 850 R CA 1.205 57.005 56.100 -0.501 0.000 0.989 850 R CB -0.569 29.738 30.300 0.011 0.000 0.869 850 R HN 0.263 nan 8.270 nan 0.000 0.459 851 K N 0.777 121.057 120.400 -0.199 0.000 2.442 851 K HA 0.014 4.332 4.320 -0.003 0.000 0.198 851 K C 1.615 178.180 176.600 -0.059 0.000 1.042 851 K CA 0.766 57.008 56.287 -0.076 0.000 0.958 851 K CB 0.140 32.602 32.500 -0.064 0.000 0.766 851 K HN 0.204 nan 8.250 nan 0.000 0.474 852 R N -0.530 119.877 120.500 -0.155 0.000 2.317 852 R HA 0.096 4.434 4.340 -0.003 0.000 0.208 852 R C -0.332 176.140 176.300 0.286 0.000 0.914 852 R CA -0.060 56.060 56.100 0.033 0.000 1.060 852 R CB 0.313 30.692 30.300 0.131 0.000 1.015 852 R HN -0.041 nan 8.270 nan 0.000 0.498 853 F N 1.389 121.405 119.950 0.110 0.000 2.379 853 F HA 0.413 4.939 4.527 -0.002 0.000 0.332 853 F C 0.628 176.507 175.800 0.132 0.000 1.096 853 F CA -2.146 55.886 58.000 0.054 0.000 1.105 853 F CB 0.670 39.566 39.000 -0.173 0.000 1.189 853 F HN -0.140 nan 8.300 nan 0.000 0.515 854 I N -1.636 119.113 120.570 0.299 0.000 3.095 854 I HA 0.593 4.762 4.170 -0.003 0.000 0.310 854 I C -0.957 175.308 176.117 0.246 0.000 1.196 854 I CA -0.622 60.828 61.300 0.251 0.000 0.985 854 I CB 2.492 40.561 38.000 0.115 0.000 1.250 854 I HN 0.305 nan 8.210 nan 0.000 0.446 855 T N 4.687 119.365 114.554 0.207 0.000 2.758 855 T HA 0.530 4.878 4.350 -0.003 0.000 0.285 855 T C -2.450 172.291 174.700 0.069 0.000 0.981 855 T CA -1.209 60.986 62.100 0.158 0.000 0.965 855 T CB 1.211 70.125 68.868 0.076 0.000 0.927 855 T HN 0.473 nan 8.240 nan 0.000 0.448 856 P HA 0.212 nan 4.420 nan 0.000 0.272 856 P C 0.022 177.336 177.300 0.023 0.000 1.254 856 P CA -0.347 62.772 63.100 0.033 0.000 0.795 856 P CB 0.374 32.096 31.700 0.036 0.000 1.022 857 G N 0.822 109.639 108.800 0.028 0.000 2.349 857 G HA2 0.505 4.464 3.960 -0.003 0.000 0.281 857 G HA3 0.505 4.464 3.960 -0.003 0.000 0.281 857 G C -0.622 174.313 174.900 0.058 0.000 1.182 857 G CA -0.354 44.773 45.100 0.044 0.000 0.899 857 G HN 0.275 nan 8.290 nan 0.000 0.455 858 M N 2.728 122.374 119.600 0.076 0.000 2.224 858 M HA 0.230 4.708 4.480 -0.003 0.000 0.281 858 M C 0.182 176.594 176.300 0.187 0.000 1.025 858 M CA -0.721 54.635 55.300 0.095 0.000 0.954 858 M CB 2.438 35.076 32.600 0.064 0.000 1.639 858 M HN 0.591 nan 8.290 nan 0.000 0.461 859 S N 2.762 118.557 115.700 0.157 0.000 2.585 859 S HA 0.454 4.923 4.470 -0.003 0.000 0.273 859 S C -0.096 174.567 174.600 0.106 0.000 1.339 859 S CA -0.658 57.637 58.200 0.158 0.000 1.028 859 S CB 0.930 64.184 63.200 0.091 0.000 0.906 859 S HN 0.774 nan 8.310 nan 0.000 0.528 860 M N 3.919 123.441 119.600 -0.130 0.000 2.292 860 M HA 0.473 4.951 4.480 -0.003 0.000 0.342 860 M C 0.853 177.076 176.300 -0.128 0.000 1.538 860 M CA 1.590 56.694 55.300 -0.327 0.000 1.163 860 M CB -0.803 31.473 32.600 -0.539 0.000 1.823 860 M HN 1.175 nan 8.290 nan 0.000 0.462 861 G N 3.095 111.845 108.800 -0.082 0.000 2.483 861 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.196 861 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.196 861 G C 0.825 175.707 174.900 -0.029 0.000 2.335 861 G CA 0.047 45.108 45.100 -0.064 0.000 1.576 861 G HN 1.033 nan 8.290 nan 0.000 0.499 862 A N 0.566 123.386 122.820 -0.001 0.000 1.927 862 A HA 0.331 4.649 4.320 -0.003 0.000 0.220 862 A C 1.367 178.969 177.584 0.031 0.000 1.185 862 A CA 2.495 54.545 52.037 0.022 0.000 0.639 862 A CB -0.873 18.153 19.000 0.043 0.000 0.820 862 A HN 1.568 nan 8.150 nan 0.000 0.451 863 L N -2.748 118.500 121.223 0.041 0.000 2.322 863 L HA 0.661 4.999 4.340 -0.003 0.000 0.269 863 L C 0.528 177.391 176.870 -0.011 0.000 1.012 863 L CA -0.401 54.459 54.840 0.033 0.000 0.815 863 L CB 1.096 43.191 42.059 0.061 0.000 1.295 863 L HN 0.148 nan 8.230 nan 0.000 0.438 864 S N 0.031 115.697 115.700 -0.056 0.000 2.566 864 S HA 0.243 4.711 4.470 -0.003 0.000 0.280 864 S C -1.700 172.835 174.600 -0.108 0.000 1.343 864 S CA -0.343 57.791 58.200 -0.111 0.000 1.036 864 S CB 0.457 63.524 63.200 -0.221 0.000 0.866 864 S HN 0.665 nan 8.310 nan 0.000 0.526 865 P HA -0.040 nan 4.420 nan 0.000 0.217 865 P C 1.082 178.355 177.300 -0.045 0.000 1.150 865 P CA 1.198 64.261 63.100 -0.062 0.000 0.832 865 P CB 0.019 31.674 31.700 -0.075 0.000 0.787 866 E N -0.018 120.074 120.200 -0.180 0.000 2.031 866 E HA -0.160 4.189 4.350 -0.003 0.000 0.193 866 E C 2.182 178.579 176.600 -0.337 0.000 0.994 866 E CA 1.665 57.909 56.400 -0.260 0.000 0.800 866 E CB -1.428 27.976 29.700 -0.494 0.000 0.752 866 E HN 0.100 nan 8.360 nan 0.000 0.447 867 A N 1.187 123.664 122.820 -0.570 0.000 1.873 867 A HA -0.312 4.007 4.320 -0.003 0.000 0.218 867 A C 2.182 179.763 177.584 -0.005 0.000 1.193 867 A CA 2.038 53.919 52.037 -0.260 0.000 0.629 867 A CB -0.972 17.937 19.000 -0.152 0.000 0.826 867 A HN 0.407 nan 8.150 nan 0.000 0.447 868 H N -0.651 118.382 119.070 -0.061 0.000 2.254 868 H HA -0.178 4.376 4.556 -0.003 0.000 0.294 868 H C 2.375 177.723 175.328 0.034 0.000 1.071 868 H CA 2.203 58.252 56.048 0.002 0.000 1.228 868 H CB -0.573 29.198 29.762 0.015 0.000 1.358 868 H HN 0.439 nan 8.280 nan 0.000 0.495 869 G N -0.940 108.020 108.800 0.266 0.000 2.470 869 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.220 869 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.220 869 G C 1.722 176.594 174.900 -0.048 0.000 1.121 869 G CA 1.090 46.340 45.100 0.250 0.000 0.766 869 G HN 0.405 nan 8.290 nan 0.000 0.553 870 T N 1.335 115.894 114.554 0.008 0.000 2.652 870 T HA -0.099 4.250 4.350 -0.003 0.000 0.267 870 T C 2.378 176.976 174.700 -0.170 0.000 1.039 870 T CA 0.981 63.041 62.100 -0.066 0.000 1.153 870 T CB -0.225 68.717 68.868 0.122 0.000 0.863 870 T HN 0.181 nan 8.240 nan 0.000 0.428 871 L N 1.134 122.276 121.223 -0.134 0.000 1.989 871 L HA -0.167 4.171 4.340 -0.003 0.000 0.211 871 L C 2.511 179.255 176.870 -0.211 0.000 1.071 871 L CA 1.282 56.016 54.840 -0.176 0.000 0.749 871 L CB -0.704 41.253 42.059 -0.171 0.000 0.890 871 L HN 0.233 nan 8.230 nan 0.000 0.431 872 N N -0.513 118.065 118.700 -0.203 0.000 2.348 872 N HA -0.145 4.594 4.740 -0.003 0.000 0.185 872 N C 1.660 177.019 175.510 -0.252 0.000 1.019 872 N CA 0.952 53.894 53.050 -0.180 0.000 0.880 872 N CB -0.328 38.108 38.487 -0.086 0.000 0.965 872 N HN 0.175 nan 8.380 nan 0.000 0.437 873 V N 0.659 120.353 119.914 -0.367 0.000 2.446 873 V HA -0.000 4.118 4.120 -0.003 0.000 0.244 873 V C 2.279 178.191 176.094 -0.303 0.000 1.039 873 V CA 1.314 63.350 62.300 -0.439 0.000 1.045 873 V CB -0.726 30.674 31.823 -0.704 0.000 0.681 873 V HN 0.252 nan 8.190 nan 0.000 0.459 874 A N 0.134 122.785 122.820 -0.283 0.000 1.851 874 A HA -0.267 4.052 4.320 -0.003 0.000 0.216 874 A C 2.196 179.626 177.584 -0.256 0.000 1.195 874 A CA 2.348 54.222 52.037 -0.273 0.000 0.622 874 A CB -0.613 18.195 19.000 -0.320 0.000 0.831 874 A HN 0.388 nan 8.150 nan 0.000 0.444 875 M N 0.639 120.092 119.600 -0.246 0.000 2.082 875 M HA -0.128 4.350 4.480 -0.003 0.000 0.258 875 M C 1.494 177.719 176.300 -0.125 0.000 1.069 875 M CA 1.219 56.414 55.300 -0.174 0.000 1.102 875 M CB -1.848 30.685 32.600 -0.113 0.000 1.336 875 M HN 0.427 nan 8.290 nan 0.000 0.404 876 N N -0.270 118.351 118.700 -0.132 0.000 2.573 876 N HA -0.114 4.625 4.740 -0.003 0.000 0.187 876 N C 1.727 177.176 175.510 -0.101 0.000 1.107 876 N CA 0.534 53.523 53.050 -0.101 0.000 0.918 876 N CB -0.214 38.215 38.487 -0.097 0.000 0.966 876 N HN 0.464 nan 8.380 nan 0.000 0.448 877 R N 1.216 121.640 120.500 -0.127 0.000 2.161 877 R HA 0.091 4.430 4.340 -0.003 0.000 0.213 877 R C 1.554 177.801 176.300 -0.089 0.000 1.055 877 R CA 0.444 56.477 56.100 -0.112 0.000 0.996 877 R CB 0.137 30.355 30.300 -0.136 0.000 0.901 877 R HN 0.229 nan 8.270 nan 0.000 0.456 878 I N -3.030 117.487 120.570 -0.089 0.000 3.874 878 I HA 0.426 4.594 4.170 -0.003 0.000 0.331 878 I C 0.508 176.602 176.117 -0.039 0.000 1.489 878 I CA 0.210 61.473 61.300 -0.061 0.000 1.187 878 I CB 0.605 38.571 38.000 -0.055 0.000 1.150 878 I HN 0.166 nan 8.210 nan 0.000 0.412 879 G N 1.437 110.210 108.800 -0.044 0.000 2.187 879 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.261 879 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.261 879 G C 0.447 175.336 174.900 -0.018 0.000 1.000 879 G CA 0.455 45.535 45.100 -0.033 0.000 0.718 879 G HN 0.894 nan 8.290 nan 0.000 0.519 880 A N -0.802 122.015 122.820 -0.004 0.000 3.179 880 A HA 0.907 5.225 4.320 -0.003 0.000 0.213 880 A C 0.568 178.161 177.584 0.016 0.000 1.752 880 A CA 0.245 52.303 52.037 0.035 0.000 0.857 880 A CB 0.789 19.858 19.000 0.114 0.000 1.798 880 A HN 0.431 nan 8.150 nan 0.000 0.606 881 K N -0.510 119.917 120.400 0.045 0.000 2.464 881 K HA 0.523 4.841 4.320 -0.003 0.000 0.253 881 K C -1.117 175.494 176.600 0.018 0.000 0.933 881 K CA -0.380 55.916 56.287 0.013 0.000 0.801 881 K CB 2.243 34.747 32.500 0.008 0.000 1.271 881 K HN 0.817 nan 8.250 nan 0.000 0.430 882 S N -0.039 115.649 115.700 -0.019 0.000 2.689 882 S HA 0.458 4.927 4.470 -0.003 0.000 0.306 882 S C -1.073 173.511 174.600 -0.028 0.000 1.104 882 S CA -0.815 57.367 58.200 -0.029 0.000 0.973 882 S CB 1.906 65.058 63.200 -0.079 0.000 1.121 882 S HN 0.548 nan 8.310 nan 0.000 0.523 883 D N 0.388 120.771 120.400 -0.029 0.000 2.505 883 D HA 0.328 4.966 4.640 -0.003 0.000 0.250 883 D C 1.325 177.638 176.300 0.021 0.000 1.164 883 D CA -0.244 53.754 54.000 -0.005 0.000 0.870 883 D CB 1.968 42.773 40.800 0.007 0.000 1.160 883 D HN 0.549 nan 8.370 nan 0.000 0.549 884 S N 3.216 118.961 115.700 0.076 0.000 2.393 884 S HA -0.065 4.403 4.470 -0.003 0.000 0.234 884 S C 1.187 175.959 174.600 0.286 0.000 1.064 884 S CA 1.622 59.956 58.200 0.224 0.000 1.088 884 S CB -0.729 62.628 63.200 0.260 0.000 0.939 884 S HN 1.218 nan 8.310 nan 0.000 0.448 885 G N 0.165 109.077 108.800 0.187 0.000 2.612 885 G HA2 -0.115 3.844 3.960 -0.003 0.000 0.686 885 G HA3 -0.115 3.844 3.960 -0.003 0.000 0.686 885 G C -0.099 174.891 174.900 0.150 0.000 1.274 885 G CA 0.126 45.324 45.100 0.163 0.000 0.849 885 G HN 0.388 nan 8.290 nan 0.000 0.595 886 E N -0.601 119.662 120.200 0.104 0.000 2.448 886 E HA 0.060 4.409 4.350 -0.003 0.000 0.203 886 E C 1.687 178.356 176.600 0.116 0.000 1.046 886 E CA 1.672 58.115 56.400 0.072 0.000 0.871 886 E CB -0.372 29.356 29.700 0.047 0.000 0.790 886 E HN 1.191 nan 8.360 nan 0.000 0.545 887 G N -0.320 108.564 108.800 0.141 0.000 4.864 887 G HA2 0.504 4.463 3.960 -0.003 0.000 0.280 887 G HA3 0.504 4.463 3.960 -0.003 0.000 0.280 887 G C -0.059 174.881 174.900 0.066 0.000 1.239 887 G CA -0.107 45.084 45.100 0.151 0.000 0.951 887 G HN 0.450 nan 8.290 nan 0.000 0.583 888 G N -0.096 108.717 108.800 0.023 0.000 2.730 888 G HA2 0.044 4.002 3.960 -0.003 0.000 0.686 888 G HA3 0.044 4.002 3.960 -0.003 0.000 0.686 888 G C -0.931 174.033 174.900 0.105 0.000 1.343 888 G CA -0.721 44.351 45.100 -0.047 0.000 0.826 888 G HN 0.432 nan 8.290 nan 0.000 0.582 889 E N 0.051 120.352 120.200 0.169 0.000 2.291 889 E HA 0.299 4.648 4.350 -0.003 0.000 0.276 889 E C -1.205 175.434 176.600 0.065 0.000 0.896 889 E CA -0.776 55.745 56.400 0.201 0.000 0.774 889 E CB 2.039 31.987 29.700 0.413 0.000 1.227 889 E HN 0.670 nan 8.360 nan 0.000 0.413 890 D N 4.401 124.765 120.400 -0.061 0.000 2.417 890 D HA 0.060 4.699 4.640 -0.003 0.000 0.250 890 D C -1.656 174.353 176.300 -0.484 0.000 1.166 890 D CA -1.576 52.314 54.000 -0.184 0.000 0.881 890 D CB 1.234 41.942 40.800 -0.153 0.000 1.164 890 D HN 0.063 nan 8.370 nan 0.000 0.467 891 P HA -0.008 nan 4.420 nan 0.000 0.226 891 P C 1.002 177.826 177.300 -0.795 0.000 1.153 891 P CA 0.858 63.122 63.100 -1.394 0.000 0.777 891 P CB 0.042 31.436 31.700 -0.511 0.000 0.794 892 A N 0.856 123.443 122.820 -0.388 0.000 1.917 892 A HA -0.246 4.072 4.320 -0.003 0.000 0.219 892 A C 2.283 179.752 177.584 -0.192 0.000 1.182 892 A CA 1.594 53.504 52.037 -0.213 0.000 0.633 892 A CB -1.357 17.533 19.000 -0.184 0.000 0.819 892 A HN 0.065 nan 8.150 nan 0.000 0.448 893 R N -1.324 119.022 120.500 -0.256 0.000 2.316 893 R HA -0.130 4.208 4.340 -0.003 0.000 0.232 893 R C 0.007 176.356 176.300 0.082 0.000 1.137 893 R CA 0.732 56.784 56.100 -0.079 0.000 1.012 893 R CB -0.405 29.881 30.300 -0.023 0.000 0.859 893 R HN 0.536 nan 8.270 nan 0.000 0.474 894 F N 0.876 120.869 119.950 0.072 0.000 2.778 894 F HA 0.178 4.704 4.527 -0.002 0.000 0.295 894 F C 0.334 176.166 175.800 0.053 0.000 1.262 894 F CA 0.195 58.230 58.000 0.060 0.000 1.429 894 F CB -0.566 38.462 39.000 0.046 0.000 1.072 894 F HN -0.185 nan 8.300 nan 0.000 0.514 895 R N -0.651 119.972 120.500 0.205 0.000 2.663 895 R HA 0.421 4.759 4.340 -0.003 0.000 0.267 895 R C -2.933 173.460 176.300 0.155 0.000 1.038 895 R CA -1.804 54.383 56.100 0.146 0.000 0.886 895 R CB 1.602 31.963 30.300 0.102 0.000 1.249 895 R HN -0.144 nan 8.270 nan 0.000 0.463 896 P HA 0.114 nan 4.420 nan 0.000 0.277 896 P C -1.128 176.256 177.300 0.141 0.000 1.240 896 P CA -0.408 62.777 63.100 0.142 0.000 0.798 896 P CB 0.566 32.317 31.700 0.085 0.000 0.979 897 D N -0.212 120.300 120.400 0.186 0.000 2.437 897 D HA 0.130 4.769 4.640 -0.003 0.000 0.259 897 D C 1.057 177.419 176.300 0.103 0.000 1.118 897 D CA -0.818 53.271 54.000 0.148 0.000 1.017 897 D CB 0.639 41.569 40.800 0.217 0.000 1.120 897 D HN 0.354 nan 8.370 nan 0.000 0.541 898 K N -0.181 120.263 120.400 0.073 0.000 2.218 898 K HA -0.214 4.104 4.320 -0.003 0.000 0.205 898 K C 0.654 177.288 176.600 0.056 0.000 1.046 898 K CA 1.255 57.574 56.287 0.052 0.000 0.933 898 K CB -0.424 32.098 32.500 0.036 0.000 0.728 898 K HN 0.159 nan 8.250 nan 0.000 0.454 899 N N 0.191 118.939 118.700 0.080 0.000 2.398 899 N HA 0.045 4.783 4.740 -0.003 0.000 0.188 899 N C 0.920 176.461 175.510 0.053 0.000 1.122 899 N CA 0.978 54.068 53.050 0.066 0.000 0.866 899 N CB 0.932 39.470 38.487 0.085 0.000 0.970 899 N HN 0.606 nan 8.380 nan 0.000 0.462 900 G N 0.042 108.879 108.800 0.062 0.000 2.195 900 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.246 900 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.246 900 G C -0.246 174.675 174.900 0.034 0.000 0.984 900 G CA -0.061 45.063 45.100 0.040 0.000 0.633 900 G HN 0.277 nan 8.290 nan 0.000 0.525 901 D N 0.564 120.998 120.400 0.057 0.000 2.372 901 D HA 0.397 5.036 4.640 -0.003 0.000 0.243 901 D C 0.051 176.343 176.300 -0.013 0.000 1.121 901 D CA 0.064 54.042 54.000 -0.037 0.000 0.898 901 D CB 0.853 41.605 40.800 -0.079 0.000 1.202 901 D HN 0.222 nan 8.370 nan 0.000 0.428 902 N N 1.849 120.446 118.700 -0.170 0.000 2.524 902 N HA 0.080 4.819 4.740 -0.003 0.000 0.261 902 N C -0.276 175.149 175.510 -0.142 0.000 0.998 902 N CA -0.566 52.465 53.050 -0.033 0.000 0.915 902 N CB 0.441 38.919 38.487 -0.014 0.000 1.187 902 N HN 0.343 nan 8.380 nan 0.000 0.507 903 W N 1.333 122.649 121.300 0.027 0.000 2.863 903 W HA 0.259 4.918 4.660 -0.003 0.000 0.258 903 W C 0.901 177.456 176.519 0.059 0.000 1.298 903 W CA -0.418 56.946 57.345 0.032 0.000 1.451 903 W CB -0.284 29.191 29.460 0.024 0.000 1.107 903 W HN 0.436 nan 8.180 nan 0.000 0.641 904 N N 1.403 120.266 118.700 0.271 0.000 2.454 904 N HA -0.005 4.734 4.740 -0.003 0.000 0.254 904 N C -0.134 175.457 175.510 0.135 0.000 1.228 904 N CA 0.372 53.570 53.050 0.247 0.000 0.900 904 N CB 0.628 39.295 38.487 0.300 0.000 1.089 904 N HN -0.059 nan 8.380 nan 0.000 0.449 905 S N 1.313 117.094 115.700 0.134 0.000 2.508 905 S HA 0.612 5.080 4.470 -0.003 0.000 0.284 905 S C 0.993 175.595 174.600 0.004 0.000 1.192 905 S CA -0.454 57.774 58.200 0.048 0.000 1.070 905 S CB 1.682 64.919 63.200 0.062 0.000 1.004 905 S HN 0.592 nan 8.310 nan 0.000 0.493 906 A N 2.985 125.789 122.820 -0.027 0.000 2.014 906 A HA 0.284 4.603 4.320 -0.003 0.000 0.218 906 A C 0.801 178.338 177.584 -0.078 0.000 1.163 906 A CA 0.556 52.562 52.037 -0.053 0.000 0.652 906 A CB -0.464 18.509 19.000 -0.046 0.000 0.808 906 A HN 0.855 nan 8.150 nan 0.000 0.449 907 I N 1.074 121.602 120.570 -0.069 0.000 2.382 907 I HA 0.215 4.383 4.170 -0.003 0.000 0.285 907 I C -0.699 175.360 176.117 -0.097 0.000 1.007 907 I CA -0.518 60.732 61.300 -0.083 0.000 1.142 907 I CB 1.575 39.545 38.000 -0.050 0.000 1.289 907 I HN 0.084 nan 8.210 nan 0.000 0.453 908 K N 6.497 126.791 120.400 -0.178 0.000 2.130 908 K HA 0.451 4.769 4.320 -0.003 0.000 0.268 908 K C -0.416 176.130 176.600 -0.090 0.000 0.983 908 K CA -0.752 55.401 56.287 -0.225 0.000 0.893 908 K CB 1.917 33.995 32.500 -0.703 0.000 1.066 908 K HN 0.538 nan 8.250 nan 0.000 0.450 909 Q N 0.733 120.570 119.800 0.063 0.000 2.317 909 Q HA 0.366 4.704 4.340 -0.003 0.000 0.229 909 Q C -0.526 175.556 176.000 0.137 0.000 0.984 909 Q CA -0.657 55.195 55.803 0.082 0.000 0.911 909 Q CB 1.484 30.276 28.738 0.090 0.000 1.217 909 Q HN 0.213 nan 8.270 nan 0.000 0.501 910 V N 0.990 120.954 119.914 0.083 0.000 2.419 910 V HA 0.602 4.721 4.120 -0.003 0.000 0.287 910 V C -0.743 175.426 176.094 0.125 0.000 1.017 910 V CA -0.365 61.985 62.300 0.083 0.000 0.844 910 V CB 1.178 33.038 31.823 0.062 0.000 1.011 910 V HN 0.866 nan 8.190 nan 0.000 0.429 911 A N 3.499 126.296 122.820 -0.039 0.000 2.437 911 A HA 0.824 5.142 4.320 -0.003 0.000 0.288 911 A C 1.263 178.458 177.584 -0.648 0.000 1.201 911 A CA 0.210 52.109 52.037 -0.230 0.000 0.795 911 A CB 1.285 20.168 19.000 -0.196 0.000 1.359 911 A HN 0.846 nan 8.150 nan 0.000 0.435 912 S N 0.116 115.270 115.700 -0.910 0.000 2.404 912 S HA -0.116 4.353 4.470 -0.003 0.000 0.230 912 S C 1.247 175.545 174.600 -0.503 0.000 1.046 912 S CA 1.374 59.139 58.200 -0.723 0.000 1.135 912 S CB -1.211 61.677 63.200 -0.520 0.000 1.056 912 S HN 1.701 nan 8.310 nan 0.000 0.426 913 G N 2.109 110.520 108.800 -0.647 0.000 2.394 913 G HA2 0.398 4.357 3.960 -0.003 0.000 0.298 913 G HA3 0.398 4.357 3.960 -0.003 0.000 0.298 913 G C -0.004 174.301 174.900 -0.992 0.000 1.087 913 G CA -0.783 43.838 45.100 -0.797 0.000 1.035 913 G HN 0.258 nan 8.290 nan 0.000 0.420 914 R N 3.826 123.959 120.500 -0.613 0.000 4.510 914 R HA 0.000 4.339 4.340 -0.003 0.000 0.170 914 R C 0.688 176.796 176.300 -0.320 0.000 1.906 914 R CA -0.300 55.512 56.100 -0.480 0.000 1.492 914 R CB -0.615 29.418 30.300 -0.445 0.000 1.383 914 R HN 0.573 nan 8.270 nan 0.000 0.823 915 F N 0.681 120.515 119.950 -0.192 0.000 2.104 915 F HA -0.283 4.242 4.527 -0.002 0.000 0.289 915 F C 2.170 177.806 175.800 -0.273 0.000 1.115 915 F CA 1.975 59.857 58.000 -0.197 0.000 1.273 915 F CB -1.159 37.761 39.000 -0.133 0.000 0.933 915 F HN 0.396 nan 8.300 nan 0.000 0.517 916 G N -0.745 107.907 108.800 -0.247 0.000 4.144 916 G HA2 0.422 4.380 3.960 -0.003 0.000 0.297 916 G HA3 0.422 4.380 3.960 -0.003 0.000 0.297 916 G C -0.842 173.740 174.900 -0.530 0.000 1.090 916 G CA -0.178 44.718 45.100 -0.339 0.000 0.870 916 G HN 0.144 nan 8.290 nan 0.000 0.532 917 V N 1.749 121.423 119.914 -0.401 0.000 2.397 917 V HA 0.381 4.500 4.120 -0.003 0.000 0.262 917 V C 0.300 176.345 176.094 -0.083 0.000 1.047 917 V CA 0.442 62.576 62.300 -0.278 0.000 1.003 917 V CB 0.397 32.138 31.823 -0.137 0.000 1.037 917 V HN 0.213 nan 8.190 nan 0.000 0.480 918 T N 3.520 118.072 114.554 -0.003 0.000 2.909 918 T HA 0.521 4.870 4.350 -0.003 0.000 0.299 918 T C 1.178 175.906 174.700 0.046 0.000 1.073 918 T CA 0.228 62.361 62.100 0.056 0.000 0.999 918 T CB 1.995 70.913 68.868 0.083 0.000 1.098 918 T HN 0.640 nan 8.240 nan 0.000 0.477 919 A N 1.165 124.004 122.820 0.031 0.000 1.958 919 A HA -0.162 4.156 4.320 -0.003 0.000 0.221 919 A C 1.967 179.522 177.584 -0.049 0.000 1.178 919 A CA 2.249 54.267 52.037 -0.031 0.000 0.642 919 A CB -0.522 18.471 19.000 -0.011 0.000 0.816 919 A HN 0.910 nan 8.150 nan 0.000 0.453 920 E N -1.982 118.224 120.200 0.009 0.000 2.216 920 E HA -0.165 4.184 4.350 -0.003 0.000 0.192 920 E C 1.742 178.346 176.600 0.008 0.000 0.988 920 E CA 0.942 57.347 56.400 0.008 0.000 0.834 920 E CB -0.219 29.551 29.700 0.117 0.000 0.772 920 E HN 0.800 nan 8.360 nan 0.000 0.479 921 Y N 1.169 121.452 120.300 -0.029 0.000 2.130 921 Y HA -0.124 4.424 4.550 -0.002 0.000 0.287 921 Y C 2.020 177.830 175.900 -0.150 0.000 1.124 921 Y CA 1.496 59.589 58.100 -0.013 0.000 1.118 921 Y CB -0.305 38.192 38.460 0.060 0.000 0.994 921 Y HN -0.049 nan 8.280 nan 0.000 0.497 922 L N 0.965 122.158 121.223 -0.050 0.000 2.189 922 L HA -0.283 4.056 4.340 -0.003 0.000 0.214 922 L C 1.745 178.439 176.870 -0.293 0.000 1.097 922 L CA 1.459 56.140 54.840 -0.265 0.000 0.764 922 L CB -0.568 41.281 42.059 -0.349 0.000 0.900 922 L HN 0.421 nan 8.230 nan 0.000 0.436 923 N N -0.713 117.834 118.700 -0.255 0.000 2.280 923 N HA -0.024 4.714 4.740 -0.003 0.000 0.192 923 N C 0.437 175.752 175.510 -0.326 0.000 1.109 923 N CA 0.178 53.072 53.050 -0.259 0.000 0.855 923 N CB 0.406 38.771 38.487 -0.205 0.000 0.974 923 N HN 0.301 nan 8.380 nan 0.000 0.482 924 Q N 1.086 120.617 119.800 -0.448 0.000 2.936 924 Q HA 0.179 4.518 4.340 -0.003 0.000 0.383 924 Q C -0.258 175.519 176.000 -0.371 0.000 1.167 924 Q CA -0.150 55.319 55.803 -0.557 0.000 1.038 924 Q CB -0.278 27.757 28.738 -1.173 0.000 1.409 924 Q HN 0.388 nan 8.270 nan 0.000 0.448 925 C N -3.163 115.970 119.300 -0.279 0.000 3.249 925 C HA 0.531 4.989 4.460 -0.003 0.000 0.350 925 C C 0.884 175.775 174.990 -0.165 0.000 1.431 925 C CA -0.853 58.039 59.018 -0.210 0.000 1.209 925 C CB 1.576 29.175 27.740 -0.234 0.000 1.546 925 C HN 0.524 nan 8.230 nan 0.000 0.450 926 R N 0.491 120.911 120.500 -0.132 0.000 2.335 926 R HA 0.363 4.701 4.340 -0.003 0.000 0.210 926 R C 0.125 176.361 176.300 -0.108 0.000 0.892 926 R CA 0.472 56.506 56.100 -0.109 0.000 1.048 926 R CB 0.510 30.760 30.300 -0.084 0.000 1.067 926 R HN 0.834 nan 8.270 nan 0.000 0.524 927 E N 0.806 120.934 120.200 -0.120 0.000 2.321 927 E HA 0.243 4.591 4.350 -0.003 0.000 0.281 927 E C -1.488 175.037 176.600 -0.126 0.000 0.910 927 E CA -0.474 55.860 56.400 -0.109 0.000 0.770 927 E CB 1.524 31.174 29.700 -0.084 0.000 1.225 927 E HN -0.034 nan 8.360 nan 0.000 0.417 928 L N 3.542 124.692 121.223 -0.122 0.000 2.282 928 L HA 0.446 4.784 4.340 -0.003 0.000 0.288 928 L C -0.016 176.805 176.870 -0.081 0.000 1.033 928 L CA -0.515 54.253 54.840 -0.120 0.000 0.807 928 L CB 1.481 43.459 42.059 -0.136 0.000 1.209 928 L HN 0.593 nan 8.230 nan 0.000 0.423 929 E N 4.062 124.226 120.200 -0.059 0.000 2.092 929 E HA 0.357 4.706 4.350 -0.003 0.000 0.271 929 E C -0.709 175.880 176.600 -0.019 0.000 0.919 929 E CA -0.594 55.785 56.400 -0.036 0.000 0.760 929 E CB 1.194 30.884 29.700 -0.018 0.000 1.106 929 E HN 0.489 nan 8.360 nan 0.000 0.408 930 I N 4.962 125.510 120.570 -0.037 0.000 2.421 930 I HA 0.029 4.197 4.170 -0.003 0.000 0.291 930 I C 0.645 176.765 176.117 0.005 0.000 1.089 930 I CA 0.122 61.397 61.300 -0.043 0.000 1.354 930 I CB 0.421 38.345 38.000 -0.127 0.000 1.413 930 I HN 0.253 nan 8.210 nan 0.000 0.513 931 K N 6.896 127.357 120.400 0.102 0.000 2.219 931 K HA 0.203 4.521 4.320 -0.003 0.000 0.280 931 K C 0.300 177.022 176.600 0.204 0.000 1.104 931 K CA -0.215 56.143 56.287 0.117 0.000 0.925 931 K CB 0.848 33.394 32.500 0.077 0.000 1.261 931 K HN 0.522 nan 8.250 nan 0.000 0.445 932 V N 2.535 122.513 119.914 0.106 0.000 3.406 932 V HA 0.149 4.267 4.120 -0.003 0.000 0.263 932 V C 0.375 176.532 176.094 0.105 0.000 1.172 932 V CA 0.871 63.246 62.300 0.124 0.000 1.140 932 V CB -0.167 31.687 31.823 0.051 0.000 0.784 932 V HN 0.852 nan 8.190 nan 0.000 0.467 933 A N -0.219 122.644 122.820 0.071 0.000 2.586 933 A HA 0.633 4.951 4.320 -0.003 0.000 0.298 933 A C -1.409 176.181 177.584 0.010 0.000 1.013 933 A CA -0.758 51.301 52.037 0.037 0.000 0.707 933 A CB 0.947 19.991 19.000 0.072 0.000 1.276 933 A HN 0.228 nan 8.150 nan 0.000 0.414 934 Q N 0.530 120.312 119.800 -0.030 0.000 2.342 934 Q HA 0.567 4.906 4.340 -0.003 0.000 0.267 934 Q C 1.034 177.000 176.000 -0.057 0.000 1.038 934 Q CA -0.556 55.233 55.803 -0.024 0.000 0.832 934 Q CB 1.937 30.665 28.738 -0.018 0.000 1.323 934 Q HN 1.121 nan 8.270 nan 0.000 0.448 935 G N 1.027 109.815 108.800 -0.020 0.000 2.535 935 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.218 935 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.218 935 G C 1.038 175.912 174.900 -0.042 0.000 1.122 935 G CA 0.872 45.957 45.100 -0.025 0.000 0.769 935 G HN 0.685 nan 8.290 nan 0.000 0.549 936 A N 0.684 123.483 122.820 -0.034 0.000 1.930 936 A HA 0.227 4.546 4.320 -0.003 0.000 0.215 936 A C 1.486 179.035 177.584 -0.058 0.000 1.176 936 A CA 1.403 53.421 52.037 -0.032 0.000 0.632 936 A CB 0.031 19.023 19.000 -0.013 0.000 0.819 936 A HN 0.454 nan 8.150 nan 0.000 0.445 937 K N -1.904 118.445 120.400 -0.084 0.000 3.157 937 K HA 0.370 4.688 4.320 -0.003 0.000 0.173 937 K C -2.790 173.698 176.600 -0.187 0.000 1.127 937 K CA -1.512 54.713 56.287 -0.104 0.000 0.849 937 K CB 1.224 33.692 32.500 -0.053 0.000 1.038 937 K HN -0.071 nan 8.250 nan 0.000 0.603 938 P HA -0.246 nan 4.420 nan 0.000 0.212 938 P C 1.477 178.519 177.300 -0.429 0.000 1.174 938 P CA 2.084 64.772 63.100 -0.687 0.000 0.934 938 P CB -0.044 30.590 31.700 -1.778 0.000 0.791 939 G N -0.845 107.749 108.800 -0.344 0.000 2.687 939 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.209 939 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.209 939 G C 0.945 175.847 174.900 0.004 0.000 1.146 939 G CA 1.027 46.110 45.100 -0.029 0.000 0.787 939 G HN 0.526 nan 8.290 nan 0.000 0.532 940 E N -2.506 117.672 120.200 -0.037 0.000 2.661 940 E HA 0.390 4.739 4.350 -0.003 0.000 0.202 940 E C 0.852 177.436 176.600 -0.027 0.000 0.911 940 E CA 0.008 56.399 56.400 -0.015 0.000 1.581 940 E CB 0.419 30.118 29.700 -0.002 0.000 1.667 940 E HN 0.677 nan 8.360 nan 0.000 0.911 941 G N 0.861 109.636 108.800 -0.042 0.000 2.770 941 G HA2 0.208 4.167 3.960 -0.003 0.000 0.686 941 G HA3 0.208 4.167 3.960 -0.003 0.000 0.686 941 G C 0.097 174.976 174.900 -0.035 0.000 1.180 941 G CA -0.616 44.450 45.100 -0.058 0.000 0.767 941 G HN 0.511 nan 8.290 nan 0.000 0.646 942 G N 0.044 108.821 108.800 -0.037 0.000 2.606 942 G HA2 0.555 4.514 3.960 -0.003 0.000 0.252 942 G HA3 0.555 4.514 3.960 -0.003 0.000 0.252 942 G C 0.007 174.922 174.900 0.026 0.000 1.206 942 G CA -0.087 45.013 45.100 0.001 0.000 0.861 942 G HN 0.799 nan 8.290 nan 0.000 0.561 943 Q N -0.793 119.023 119.800 0.025 0.000 2.375 943 Q HA 0.564 4.903 4.340 -0.003 0.000 0.271 943 Q C -1.605 174.395 176.000 0.000 0.000 1.074 943 Q CA -0.888 54.926 55.803 0.019 0.000 0.808 943 Q CB 2.832 31.575 28.738 0.009 0.000 1.327 943 Q HN 0.315 nan 8.270 nan 0.000 0.441 944 L N 2.913 124.116 121.223 -0.033 0.000 2.504 944 L HA 0.454 4.793 4.340 -0.003 0.000 0.265 944 L C -2.807 173.950 176.870 -0.189 0.000 0.975 944 L CA -1.625 53.158 54.840 -0.095 0.000 0.864 944 L CB 1.729 43.737 42.059 -0.086 0.000 1.212 944 L HN 0.342 nan 8.230 nan 0.000 0.416 945 P HA 0.118 nan 4.420 nan 0.000 0.266 945 P C 0.763 177.660 177.300 -0.671 0.000 1.186 945 P CA 0.466 63.223 63.100 -0.572 0.000 0.767 945 P CB 0.756 31.849 31.700 -1.013 0.000 0.820 946 G N 2.051 110.554 108.800 -0.495 0.000 2.432 946 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.219 946 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.219 946 G C 0.595 175.376 174.900 -0.199 0.000 1.135 946 G CA 0.299 45.259 45.100 -0.232 0.000 0.767 946 G HN 0.619 nan 8.290 nan 0.000 0.550 947 F N -0.694 119.253 119.950 -0.005 0.000 2.811 947 F HA 0.571 5.097 4.527 -0.002 0.000 0.292 947 F C 1.260 177.051 175.800 -0.015 0.000 1.240 947 F CA -0.619 57.374 58.000 -0.011 0.000 1.422 947 F CB 0.259 39.254 39.000 -0.008 0.000 1.045 947 F HN -0.080 nan 8.300 nan 0.000 0.512 948 K N -0.339 119.941 120.400 -0.199 0.000 2.562 948 K HA 0.212 4.531 4.320 -0.003 0.000 0.218 948 K C 0.045 176.580 176.600 -0.109 0.000 1.374 948 K CA 0.184 56.402 56.287 -0.115 0.000 0.996 948 K CB 1.401 33.781 32.500 -0.201 0.000 1.127 948 K HN 0.164 nan 8.250 nan 0.000 0.603 949 V N 3.147 122.983 119.914 -0.130 0.000 1.973 949 V HA 0.035 4.153 4.120 -0.003 0.000 0.255 949 V C 0.738 176.787 176.094 -0.076 0.000 1.605 949 V CA 0.339 62.567 62.300 -0.119 0.000 1.542 949 V CB -0.553 31.189 31.823 -0.134 0.000 1.504 949 V HN 0.169 nan 8.190 nan 0.000 0.505 950 T N 1.593 116.109 114.554 -0.062 0.000 2.600 950 T HA -0.054 4.294 4.350 -0.003 0.000 0.369 950 T C 1.476 176.141 174.700 -0.059 0.000 1.055 950 T CA 0.394 62.467 62.100 -0.045 0.000 1.051 950 T CB 0.599 69.437 68.868 -0.051 0.000 1.106 950 T HN 0.673 nan 8.240 nan 0.000 0.524 951 E N -0.170 119.998 120.200 -0.053 0.000 2.140 951 E HA -0.015 4.333 4.350 -0.003 0.000 0.191 951 E C 2.142 178.698 176.600 -0.073 0.000 0.973 951 E CA 0.218 56.582 56.400 -0.060 0.000 0.829 951 E CB -0.099 29.572 29.700 -0.049 0.000 0.781 951 E HN 0.539 nan 8.360 nan 0.000 0.466 952 M N 1.111 120.668 119.600 -0.072 0.000 2.086 952 M HA -0.170 4.309 4.480 -0.003 0.000 0.261 952 M C 2.162 178.407 176.300 -0.092 0.000 1.067 952 M CA 1.431 56.681 55.300 -0.082 0.000 1.116 952 M CB -0.248 32.303 32.600 -0.082 0.000 1.348 952 M HN 0.047 nan 8.290 nan 0.000 0.407 953 I N 1.279 121.792 120.570 -0.095 0.000 2.068 953 I HA -0.334 3.834 4.170 -0.003 0.000 0.238 953 I C 2.753 178.797 176.117 -0.122 0.000 1.046 953 I CA 2.000 63.233 61.300 -0.112 0.000 1.306 953 I CB -0.607 37.322 38.000 -0.117 0.000 1.023 953 I HN 0.458 nan 8.210 nan 0.000 0.399 954 A N 0.180 122.928 122.820 -0.120 0.000 1.948 954 A HA -0.303 4.016 4.320 -0.003 0.000 0.220 954 A C 2.436 179.955 177.584 -0.107 0.000 1.177 954 A CA 2.094 54.059 52.037 -0.121 0.000 0.636 954 A CB -0.778 18.162 19.000 -0.100 0.000 0.815 954 A HN 0.438 nan 8.150 nan 0.000 0.449 955 R N -0.418 120.016 120.500 -0.109 0.000 2.073 955 R HA -0.071 4.268 4.340 -0.003 0.000 0.234 955 R C 2.079 178.307 176.300 -0.120 0.000 1.134 955 R CA 1.485 57.501 56.100 -0.140 0.000 0.952 955 R CB -0.440 29.785 30.300 -0.125 0.000 0.850 955 R HN 0.547 nan 8.270 nan 0.000 0.433 956 L N 0.693 121.879 121.223 -0.061 0.000 1.971 956 L HA -0.200 4.139 4.340 -0.003 0.000 0.215 956 L C 2.401 179.346 176.870 0.125 0.000 1.072 956 L CA 1.703 56.545 54.840 0.003 0.000 0.758 956 L CB -0.304 41.727 42.059 -0.047 0.000 0.889 956 L HN 0.263 nan 8.230 nan 0.000 0.433 957 R N -0.945 119.572 120.500 0.028 0.000 2.323 957 R HA -0.043 4.295 4.340 -0.003 0.000 0.198 957 R C -0.198 176.217 176.300 0.191 0.000 0.988 957 R CA 0.057 56.165 56.100 0.015 0.000 1.041 957 R CB -0.395 29.698 30.300 -0.346 0.000 0.926 957 R HN 0.429 nan 8.270 nan 0.000 0.476 958 H N -0.385 118.638 119.070 -0.078 0.000 2.557 958 H HA -0.174 4.380 4.556 -0.003 0.000 0.319 958 H C 0.092 175.377 175.328 -0.073 0.000 1.102 958 H CA 0.699 56.717 56.048 -0.050 0.000 1.126 958 H CB -1.808 27.952 29.762 -0.005 0.000 1.498 958 H HN 0.165 nan 8.280 nan 0.000 0.411 959 S N -1.403 114.279 115.700 -0.030 0.000 2.786 959 S HA 0.693 5.161 4.470 -0.003 0.000 0.307 959 S C 0.408 174.969 174.600 -0.065 0.000 1.121 959 S CA -0.301 57.844 58.200 -0.092 0.000 0.975 959 S CB 1.922 64.978 63.200 -0.240 0.000 1.220 959 S HN 0.311 nan 8.310 nan 0.000 0.550 960 T N 3.358 117.877 114.554 -0.059 0.000 2.795 960 T HA 0.524 4.873 4.350 -0.003 0.000 0.282 960 T C -2.666 172.003 174.700 -0.052 0.000 0.980 960 T CA -1.090 60.985 62.100 -0.042 0.000 1.012 960 T CB 1.234 70.090 68.868 -0.021 0.000 0.936 960 T HN 0.397 nan 8.240 nan 0.000 0.457 961 P HA 0.097 nan 4.420 nan 0.000 0.263 961 P C 1.073 178.355 177.300 -0.030 0.000 1.175 961 P CA 0.851 63.925 63.100 -0.043 0.000 0.761 961 P CB 0.269 31.949 31.700 -0.032 0.000 0.794 962 G N 1.383 110.163 108.800 -0.033 0.000 2.249 962 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.269 962 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.269 962 G C 0.226 175.118 174.900 -0.013 0.000 0.979 962 G CA 0.412 45.506 45.100 -0.010 0.000 0.644 962 G HN 0.533 nan 8.290 nan 0.000 0.546 963 V N 1.780 121.677 119.914 -0.028 0.000 2.498 963 V HA 0.484 4.603 4.120 -0.003 0.000 0.279 963 V C 1.140 177.198 176.094 -0.059 0.000 1.048 963 V CA -0.227 62.057 62.300 -0.026 0.000 0.967 963 V CB 1.553 33.364 31.823 -0.020 0.000 0.988 963 V HN 0.486 nan 8.190 nan 0.000 0.473 964 M N 4.912 124.480 119.600 -0.053 0.000 2.234 964 M HA 0.078 4.557 4.480 -0.003 0.000 0.326 964 M C -0.685 175.585 176.300 -0.050 0.000 1.077 964 M CA 0.806 56.062 55.300 -0.072 0.000 1.052 964 M CB 0.140 32.722 32.600 -0.030 0.000 1.607 964 M HN 0.511 nan 8.290 nan 0.000 0.445 965 L N 7.129 128.316 121.223 -0.060 0.000 2.337 965 L HA 0.458 4.796 4.340 -0.003 0.000 0.269 965 L C -0.737 176.179 176.870 0.076 0.000 1.018 965 L CA -0.387 54.450 54.840 -0.005 0.000 0.876 965 L CB 0.562 42.546 42.059 -0.124 0.000 1.236 965 L HN 0.649 nan 8.230 nan 0.000 0.436 966 I N 1.487 122.121 120.570 0.108 0.000 2.392 966 I HA 0.317 4.485 4.170 -0.003 0.000 0.295 966 I C 0.382 176.571 176.117 0.120 0.000 0.985 966 I CA -0.172 61.191 61.300 0.105 0.000 1.221 966 I CB 2.115 40.176 38.000 0.101 0.000 1.366 966 I HN 0.489 nan 8.210 nan 0.000 0.467 967 S N 6.536 122.263 115.700 0.045 0.000 2.646 967 S HA 0.435 4.904 4.470 -0.003 0.000 0.276 967 S C -2.394 172.108 174.600 -0.163 0.000 1.222 967 S CA -1.125 57.021 58.200 -0.089 0.000 1.014 967 S CB 1.352 64.461 63.200 -0.152 0.000 0.991 967 S HN 0.394 nan 8.310 nan 0.000 0.533 968 P HA 0.241 nan 4.420 nan 0.000 0.276 968 P C -2.067 175.123 177.300 -0.183 0.000 1.230 968 P CA -1.360 61.549 63.100 -0.319 0.000 0.776 968 P CB 0.238 31.626 31.700 -0.519 0.000 0.888 969 P HA -0.022 nan 4.420 nan 0.000 0.217 969 P C -1.901 175.354 177.300 -0.075 0.000 1.150 969 P CA 1.784 64.856 63.100 -0.046 0.000 0.832 969 P CB -1.504 30.210 31.700 0.023 0.000 0.787 970 P HA 0.145 nan 4.420 nan 0.000 0.289 970 P C -0.531 176.599 177.300 -0.283 0.000 1.293 970 P CA -0.471 62.563 63.100 -0.109 0.000 0.897 970 P CB 1.290 32.965 31.700 -0.041 0.000 1.166 971 H N 1.036 119.949 119.070 -0.261 0.000 2.732 971 H HA 0.064 4.619 4.556 -0.002 0.000 0.351 971 H C 1.382 176.402 175.328 -0.514 0.000 1.090 971 H CA 0.288 56.193 56.048 -0.238 0.000 1.431 971 H CB 0.764 30.450 29.762 -0.127 0.000 1.447 971 H HN 0.562 nan 8.280 nan 0.000 0.582 972 H N 1.592 120.477 119.070 -0.308 0.000 2.547 972 H HA -0.073 4.482 4.556 -0.003 0.000 0.272 972 H C 0.289 175.192 175.328 -0.707 0.000 0.989 972 H CA 0.689 56.305 56.048 -0.720 0.000 1.214 972 H CB 0.316 29.564 29.762 -0.856 0.000 1.389 972 H HN 0.629 nan 8.280 nan 0.000 0.577 973 D N -0.137 120.079 120.400 -0.307 0.000 2.894 973 D HA 0.159 4.798 4.640 -0.003 0.000 0.273 973 D C 0.120 176.236 176.300 -0.307 0.000 1.328 973 D CA -0.188 53.613 54.000 -0.330 0.000 0.845 973 D CB -0.602 39.931 40.800 -0.446 0.000 1.072 973 D HN 0.191 nan 8.370 nan 0.000 0.484 974 I N 0.996 121.344 120.570 -0.370 0.000 2.743 974 I HA 0.058 4.227 4.170 -0.003 0.000 0.268 974 I C -0.760 175.257 176.117 -0.167 0.000 1.441 974 I CA -0.512 60.650 61.300 -0.229 0.000 0.912 974 I CB 0.776 38.640 38.000 -0.226 0.000 1.410 974 I HN -0.128 nan 8.210 nan 0.000 0.540 975 Y N 1.951 122.258 120.300 0.012 0.000 2.458 975 Y HA 0.284 4.832 4.550 -0.003 0.000 0.256 975 Y C 1.201 177.098 175.900 -0.004 0.000 1.159 975 Y CA -0.603 57.508 58.100 0.019 0.000 1.261 975 Y CB 0.535 39.027 38.460 0.054 0.000 1.119 975 Y HN 0.540 nan 8.280 nan 0.000 0.524 976 S N -2.007 113.756 115.700 0.104 0.000 2.595 976 S HA 0.198 4.667 4.470 -0.003 0.000 0.270 976 S C 0.409 174.946 174.600 -0.105 0.000 1.145 976 S CA -0.683 57.519 58.200 0.003 0.000 0.825 976 S CB 0.120 63.322 63.200 0.004 0.000 1.107 976 S HN 0.074 nan 8.310 nan 0.000 0.461 977 I N 1.687 122.135 120.570 -0.202 0.000 2.264 977 I HA -0.199 3.969 4.170 -0.003 0.000 0.248 977 I C 2.325 178.170 176.117 -0.454 0.000 1.111 977 I CA 2.247 63.337 61.300 -0.351 0.000 1.382 977 I CB -0.297 37.418 38.000 -0.476 0.000 1.060 977 I HN 0.904 nan 8.210 nan 0.000 0.418 978 E N 0.191 120.123 120.200 -0.447 0.000 2.118 978 E HA -0.261 4.087 4.350 -0.003 0.000 0.195 978 E C 1.545 178.061 176.600 -0.141 0.000 0.992 978 E CA 1.457 57.695 56.400 -0.270 0.000 0.804 978 E CB -0.503 29.131 29.700 -0.110 0.000 0.741 978 E HN 0.543 nan 8.360 nan 0.000 0.458 979 D N 1.290 121.629 120.400 -0.103 0.000 2.092 979 D HA -0.161 4.477 4.640 -0.003 0.000 0.193 979 D C 2.015 178.251 176.300 -0.106 0.000 0.994 979 D CA 0.745 54.711 54.000 -0.056 0.000 0.828 979 D CB -0.476 40.318 40.800 -0.009 0.000 0.963 979 D HN 0.073 nan 8.370 nan 0.000 0.450 980 L N 1.371 122.512 121.223 -0.137 0.000 2.010 980 L HA -0.264 4.074 4.340 -0.003 0.000 0.219 980 L C 2.270 179.080 176.870 -0.101 0.000 1.077 980 L CA 2.117 56.873 54.840 -0.141 0.000 0.773 980 L CB -1.146 40.826 42.059 -0.145 0.000 0.892 980 L HN 0.033 nan 8.230 nan 0.000 0.436 981 A N -1.231 121.530 122.820 -0.098 0.000 1.917 981 A HA -0.338 3.981 4.320 -0.003 0.000 0.219 981 A C 2.248 179.835 177.584 0.005 0.000 1.182 981 A CA 2.188 54.206 52.037 -0.033 0.000 0.633 981 A CB -0.710 18.281 19.000 -0.015 0.000 0.819 981 A HN 0.673 nan 8.150 nan 0.000 0.448 982 Q N -0.574 119.215 119.800 -0.018 0.000 2.245 982 Q HA 0.079 4.418 4.340 -0.003 0.000 0.201 982 Q C 1.828 177.857 176.000 0.049 0.000 0.955 982 Q CA 1.167 56.984 55.803 0.024 0.000 0.870 982 Q CB -0.363 28.375 28.738 -0.000 0.000 0.945 982 Q HN 0.625 nan 8.270 nan 0.000 0.461 983 L N -0.092 121.112 121.223 -0.032 0.000 2.017 983 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 983 L C 2.101 178.978 176.870 0.011 0.000 1.073 983 L CA 1.411 56.227 54.840 -0.040 0.000 0.745 983 L CB -0.259 41.733 42.059 -0.112 0.000 0.894 983 L HN 0.376 nan 8.230 nan 0.000 0.432 984 I N -1.093 119.477 120.570 0.000 0.000 2.248 984 I HA -0.393 3.775 4.170 -0.003 0.000 0.248 984 I C 2.400 178.556 176.117 0.065 0.000 1.107 984 I CA 1.556 62.864 61.300 0.013 0.000 1.373 984 I CB -0.426 37.580 38.000 0.010 0.000 1.055 984 I HN 0.315 nan 8.210 nan 0.000 0.418 985 Y N 2.002 122.291 120.300 -0.018 0.000 2.114 985 Y HA -0.311 4.237 4.550 -0.003 0.000 0.284 985 Y C 2.264 178.173 175.900 0.016 0.000 1.143 985 Y CA 1.909 60.008 58.100 -0.001 0.000 1.135 985 Y CB -0.335 38.127 38.460 0.003 0.000 0.980 985 Y HN 0.228 nan 8.280 nan 0.000 0.499 986 D N 0.091 120.539 120.400 0.080 0.000 2.117 986 D HA -0.209 4.430 4.640 -0.003 0.000 0.197 986 D C 2.432 178.742 176.300 0.018 0.000 0.987 986 D CA 1.468 55.513 54.000 0.074 0.000 0.829 986 D CB -0.596 40.333 40.800 0.215 0.000 0.961 986 D HN 0.384 nan 8.370 nan 0.000 0.460 987 L N 0.677 121.898 121.223 -0.003 0.000 2.012 987 L HA -0.171 4.167 4.340 -0.003 0.000 0.210 987 L C 2.213 179.001 176.870 -0.136 0.000 1.073 987 L CA 1.279 56.063 54.840 -0.094 0.000 0.748 987 L CB -0.352 41.657 42.059 -0.084 0.000 0.891 987 L HN 0.041 nan 8.230 nan 0.000 0.431 988 K N -0.575 119.742 120.400 -0.138 0.000 2.439 988 K HA -0.107 4.211 4.320 -0.003 0.000 0.197 988 K C 1.934 178.408 176.600 -0.211 0.000 1.041 988 K CA 0.510 56.700 56.287 -0.162 0.000 0.970 988 K CB 0.075 32.495 32.500 -0.134 0.000 0.773 988 K HN 0.379 nan 8.250 nan 0.000 0.479 989 Q N 0.464 120.114 119.800 -0.251 0.000 2.204 989 Q HA -0.002 4.336 4.340 -0.003 0.000 0.198 989 Q C 2.059 177.978 176.000 -0.136 0.000 0.946 989 Q CA 0.725 56.386 55.803 -0.237 0.000 0.859 989 Q CB -0.035 28.542 28.738 -0.267 0.000 0.946 989 Q HN 0.236 nan 8.270 nan 0.000 0.474 990 I N 0.821 121.322 120.570 -0.115 0.000 2.876 990 I HA -0.045 4.123 4.170 -0.003 0.000 0.264 990 I C 0.000 176.024 176.117 -0.155 0.000 1.204 990 I CA 0.639 61.872 61.300 -0.113 0.000 1.485 990 I CB 0.304 38.191 38.000 -0.188 0.000 1.103 990 I HN -0.034 nan 8.210 nan 0.000 0.446 991 N N 0.770 119.367 118.700 -0.171 0.000 2.617 991 N HA 0.296 5.034 4.740 -0.003 0.000 0.263 991 N C -2.102 173.321 175.510 -0.146 0.000 1.074 991 N CA -2.261 50.689 53.050 -0.166 0.000 0.841 991 N CB 1.416 39.789 38.487 -0.190 0.000 1.221 991 N HN -0.039 nan 8.380 nan 0.000 0.529 992 P HA -0.016 nan 4.420 nan 0.000 0.225 992 P C -0.199 177.037 177.300 -0.106 0.000 1.148 992 P CA 0.941 63.970 63.100 -0.117 0.000 0.779 992 P CB 0.662 32.295 31.700 -0.112 0.000 0.780 993 D N -0.395 119.938 120.400 -0.112 0.000 2.367 993 D HA 0.154 4.793 4.640 -0.003 0.000 0.207 993 D C 1.110 177.350 176.300 -0.100 0.000 1.034 993 D CA 0.197 54.137 54.000 -0.100 0.000 0.861 993 D CB 0.063 40.802 40.800 -0.102 0.000 0.943 993 D HN 0.143 nan 8.370 nan 0.000 0.515 994 A N 0.642 123.394 122.820 -0.113 0.000 2.286 994 A HA 0.393 4.711 4.320 -0.003 0.000 0.286 994 A C 0.487 178.015 177.584 -0.092 0.000 1.097 994 A CA -0.400 51.572 52.037 -0.109 0.000 0.821 994 A CB 1.128 20.049 19.000 -0.133 0.000 1.076 994 A HN -0.159 nan 8.150 nan 0.000 0.490 995 K N 0.008 120.358 120.400 -0.083 0.000 2.098 995 K HA 0.558 4.876 4.320 -0.003 0.000 0.257 995 K C -1.015 175.540 176.600 -0.074 0.000 0.999 995 K CA -0.435 55.810 56.287 -0.070 0.000 0.924 995 K CB 1.486 33.949 32.500 -0.062 0.000 1.028 995 K HN 0.396 nan 8.250 nan 0.000 0.466 996 V N 1.455 121.331 119.914 -0.064 0.000 2.628 996 V HA 0.303 4.421 4.120 -0.003 0.000 0.306 996 V C -0.149 175.911 176.094 -0.058 0.000 1.045 996 V CA -0.604 61.656 62.300 -0.066 0.000 0.905 996 V CB 2.038 33.824 31.823 -0.061 0.000 0.997 996 V HN 0.807 nan 8.190 nan 0.000 0.436 997 T N 3.030 117.549 114.554 -0.059 0.000 2.942 997 T HA 0.679 5.027 4.350 -0.003 0.000 0.289 997 T C -0.885 173.786 174.700 -0.049 0.000 1.044 997 T CA -0.442 61.626 62.100 -0.052 0.000 1.023 997 T CB 2.000 70.838 68.868 -0.051 0.000 1.123 997 T HN 0.345 nan 8.240 nan 0.000 0.512 998 V N 2.355 122.243 119.914 -0.043 0.000 2.443 998 V HA 0.413 4.531 4.120 -0.003 0.000 0.293 998 V C -0.062 176.020 176.094 -0.021 0.000 1.021 998 V CA -0.868 61.408 62.300 -0.039 0.000 0.848 998 V CB 1.662 33.458 31.823 -0.046 0.000 0.998 998 V HN 0.670 nan 8.190 nan 0.000 0.424 999 K N 5.426 125.822 120.400 -0.007 0.000 2.258 999 K HA 0.663 4.982 4.320 -0.003 0.000 0.284 999 K C -1.203 175.415 176.600 0.029 0.000 1.051 999 K CA -0.268 56.024 56.287 0.009 0.000 0.923 999 K CB 0.710 33.220 32.500 0.016 0.000 1.046 999 K HN 0.565 nan 8.250 nan 0.000 0.474 1000 L N 2.899 124.146 121.223 0.040 0.000 2.303 1000 L HA 0.540 4.878 4.340 -0.003 0.000 0.256 1000 L C -0.889 176.047 176.870 0.109 0.000 1.034 1000 L CA -1.392 53.495 54.840 0.078 0.000 0.832 1000 L CB 2.282 44.379 42.059 0.063 0.000 1.403 1000 L HN 0.275 nan 8.230 nan 0.000 0.419 1001 V N 0.571 120.600 119.914 0.191 0.000 2.448 1001 V HA 0.218 4.336 4.120 -0.003 0.000 0.295 1001 V C 0.256 176.515 176.094 0.275 0.000 1.025 1001 V CA -0.512 61.920 62.300 0.221 0.000 0.859 1001 V CB 1.773 33.712 31.823 0.194 0.000 0.988 1001 V HN 0.837 nan 8.190 nan 0.000 0.431 1002 S N 6.243 122.065 115.700 0.203 0.000 2.571 1002 S HA 0.245 4.713 4.470 -0.003 0.000 0.298 1002 S C -0.107 174.617 174.600 0.206 0.000 1.280 1002 S CA 0.463 58.772 58.200 0.181 0.000 1.052 1002 S CB 0.004 63.311 63.200 0.178 0.000 0.799 1002 S HN 0.983 nan 8.310 nan 0.000 0.501 1003 R N 2.024 122.593 120.500 0.116 0.000 3.112 1003 R HA 0.223 4.562 4.340 -0.003 0.000 0.271 1003 R C -1.302 174.994 176.300 -0.007 0.000 1.008 1003 R CA -0.185 55.950 56.100 0.057 0.000 0.903 1003 R CB 0.009 30.290 30.300 -0.032 0.000 1.267 1003 R HN 0.795 nan 8.270 nan 0.000 0.514 1004 S N 1.099 116.791 115.700 -0.014 0.000 2.510 1004 S HA 0.513 4.982 4.470 -0.003 0.000 0.279 1004 S C 0.976 175.549 174.600 -0.046 0.000 1.284 1004 S CA 0.863 59.053 58.200 -0.016 0.000 1.059 1004 S CB 1.036 64.234 63.200 -0.003 0.000 0.901 1004 S HN 1.494 nan 8.310 nan 0.000 0.491 1005 G N 3.042 111.824 108.800 -0.031 0.000 2.229 1005 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.189 1005 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.189 1005 G C 0.502 175.382 174.900 -0.035 0.000 1.000 1005 G CA -0.021 45.055 45.100 -0.040 0.000 0.663 1005 G HN 0.825 nan 8.290 nan 0.000 0.493 1006 I N 1.486 122.043 120.570 -0.023 0.000 2.286 1006 I HA 0.059 4.227 4.170 -0.003 0.000 0.248 1006 I C 2.594 178.715 176.117 0.007 0.000 1.115 1006 I CA 2.305 63.600 61.300 -0.008 0.000 1.392 1006 I CB -0.477 37.536 38.000 0.021 0.000 1.065 1006 I HN 0.224 nan 8.210 nan 0.000 0.418 1007 G N 0.016 108.827 108.800 0.018 0.000 2.599 1007 G HA2 -0.384 3.575 3.960 -0.003 0.000 0.219 1007 G HA3 -0.384 3.575 3.960 -0.003 0.000 0.219 1007 G C 1.552 176.466 174.900 0.022 0.000 1.193 1007 G CA 1.624 46.740 45.100 0.027 0.000 0.778 1007 G HN 0.367 nan 8.290 nan 0.000 0.589 1008 T N 0.878 115.445 114.554 0.020 0.000 2.635 1008 T HA -0.124 4.225 4.350 -0.003 0.000 0.267 1008 T C 2.483 177.189 174.700 0.010 0.000 1.040 1008 T CA 1.421 63.535 62.100 0.023 0.000 1.156 1008 T CB -0.254 68.625 68.868 0.020 0.000 0.863 1008 T HN 0.246 nan 8.240 nan 0.000 0.430 1009 I N 1.211 121.779 120.570 -0.003 0.000 2.151 1009 I HA -0.242 3.927 4.170 -0.003 0.000 0.243 1009 I C 2.760 178.872 176.117 -0.007 0.000 1.080 1009 I CA 1.343 62.635 61.300 -0.013 0.000 1.339 1009 I CB -0.551 37.435 38.000 -0.022 0.000 1.039 1009 I HN 0.216 nan 8.210 nan 0.000 0.409 1010 A N 0.676 123.496 122.820 -0.000 0.000 1.929 1010 A HA -0.359 3.960 4.320 -0.003 0.000 0.221 1010 A C 2.505 180.089 177.584 -0.000 0.000 1.211 1010 A CA 2.696 54.734 52.037 0.002 0.000 0.657 1010 A CB -1.262 17.745 19.000 0.012 0.000 0.827 1010 A HN 0.494 nan 8.150 nan 0.000 0.462 1011 A N -0.865 121.957 122.820 0.003 0.000 1.841 1011 A HA 0.090 4.408 4.320 -0.003 0.000 0.216 1011 A C 2.624 180.214 177.584 0.010 0.000 1.199 1011 A CA 2.352 54.387 52.037 -0.002 0.000 0.621 1011 A CB -1.721 17.275 19.000 -0.005 0.000 0.835 1011 A HN 1.088 nan 8.150 nan 0.000 0.445 1012 G N -0.492 108.324 108.800 0.027 0.000 2.556 1012 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.220 1012 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.220 1012 G C 1.528 176.448 174.900 0.034 0.000 1.156 1012 G CA 1.710 46.847 45.100 0.062 0.000 0.766 1012 G HN 0.415 nan 8.290 nan 0.000 0.583 1013 V N 1.554 121.465 119.914 -0.005 0.000 2.324 1013 V HA -0.199 3.919 4.120 -0.003 0.000 0.250 1013 V C 3.333 179.428 176.094 0.001 0.000 1.060 1013 V CA 2.225 64.516 62.300 -0.016 0.000 1.042 1013 V CB -1.057 30.752 31.823 -0.024 0.000 0.650 1013 V HN 0.542 nan 8.190 nan 0.000 0.450 1014 A N 0.024 122.845 122.820 0.002 0.000 1.902 1014 A HA -0.215 4.103 4.320 -0.003 0.000 0.217 1014 A C 2.226 179.814 177.584 0.008 0.000 1.181 1014 A CA 1.782 53.817 52.037 -0.003 0.000 0.623 1014 A CB -0.408 18.582 19.000 -0.015 0.000 0.818 1014 A HN 0.559 nan 8.150 nan 0.000 0.443 1015 K N -0.108 120.310 120.400 0.030 0.000 2.362 1015 K HA 0.056 4.375 4.320 -0.003 0.000 0.200 1015 K C 1.439 178.092 176.600 0.088 0.000 1.046 1015 K CA 0.879 57.191 56.287 0.042 0.000 0.952 1015 K CB -0.230 32.314 32.500 0.073 0.000 0.753 1015 K HN 0.416 nan 8.250 nan 0.000 0.466 1016 A N 1.669 124.543 122.820 0.091 0.000 2.370 1016 A HA 0.063 4.381 4.320 -0.003 0.000 0.238 1016 A C -0.102 177.514 177.584 0.052 0.000 1.289 1016 A CA -0.250 51.843 52.037 0.092 0.000 0.885 1016 A CB -0.199 18.832 19.000 0.052 0.000 0.961 1016 A HN 0.312 nan 8.150 nan 0.000 0.499 1017 N N -2.011 116.711 118.700 0.036 0.000 2.818 1017 N HA -0.153 4.585 4.740 -0.003 0.000 0.250 1017 N C 0.109 175.624 175.510 0.007 0.000 1.108 1017 N CA 0.972 54.038 53.050 0.026 0.000 0.745 1017 N CB -1.740 36.777 38.487 0.050 0.000 1.104 1017 N HN 0.800 nan 8.380 nan 0.000 0.557 1018 A N -0.235 122.582 122.820 -0.005 0.000 2.340 1018 A HA 0.444 4.763 4.320 -0.003 0.000 0.268 1018 A C 0.953 178.523 177.584 -0.024 0.000 1.100 1018 A CA -0.092 51.932 52.037 -0.021 0.000 0.803 1018 A CB 0.510 19.494 19.000 -0.027 0.000 1.043 1018 A HN 0.111 nan 8.150 nan 0.000 0.488 1019 D N 0.284 120.664 120.400 -0.033 0.000 2.338 1019 D HA 0.218 4.857 4.640 -0.003 0.000 0.208 1019 D C 0.191 176.466 176.300 -0.042 0.000 0.997 1019 D CA 1.091 55.070 54.000 -0.035 0.000 0.880 1019 D CB 0.260 41.036 40.800 -0.039 0.000 0.980 1019 D HN 0.516 nan 8.370 nan 0.000 0.509 1020 I N 0.575 121.117 120.570 -0.047 0.000 2.865 1020 I HA 0.375 4.543 4.170 -0.003 0.000 0.302 1020 I C -0.892 175.193 176.117 -0.053 0.000 1.140 1020 I CA -0.817 60.449 61.300 -0.056 0.000 1.021 1020 I CB 3.086 41.047 38.000 -0.065 0.000 1.233 1020 I HN -0.361 nan 8.210 nan 0.000 0.427 1021 I N 5.197 125.733 120.570 -0.057 0.000 2.533 1021 I HA 0.382 4.551 4.170 -0.003 0.000 0.290 1021 I C -1.338 174.744 176.117 -0.057 0.000 1.056 1021 I CA -0.762 60.510 61.300 -0.046 0.000 1.057 1021 I CB 2.495 40.476 38.000 -0.031 0.000 1.240 1021 I HN 0.275 nan 8.210 nan 0.000 0.423 1022 L N 7.991 129.186 121.223 -0.046 0.000 2.333 1022 L HA 0.669 5.008 4.340 -0.003 0.000 0.280 1022 L C -1.394 175.462 176.870 -0.022 0.000 1.004 1022 L CA -0.092 54.714 54.840 -0.055 0.000 0.820 1022 L CB 1.385 43.411 42.059 -0.055 0.000 1.247 1022 L HN 0.379 nan 8.230 nan 0.000 0.416 1023 I N 3.910 124.465 120.570 -0.025 0.000 2.362 1023 I HA 0.490 4.658 4.170 -0.003 0.000 0.289 1023 I C 0.046 176.181 176.117 0.030 0.000 0.994 1023 I CA 0.222 61.539 61.300 0.028 0.000 1.158 1023 I CB 1.793 39.823 38.000 0.050 0.000 1.315 1023 I HN 0.588 nan 8.210 nan 0.000 0.451 1024 S N 3.517 119.259 115.700 0.071 0.000 2.475 1024 S HA 0.714 5.183 4.470 -0.003 0.000 0.298 1024 S C 0.368 175.060 174.600 0.153 0.000 1.119 1024 S CA -0.768 57.482 58.200 0.083 0.000 1.085 1024 S CB 1.586 64.820 63.200 0.058 0.000 1.028 1024 S HN 0.815 nan 8.310 nan 0.000 0.489 1025 G N 1.657 110.586 108.800 0.215 0.000 2.606 1025 G HA2 0.118 4.077 3.960 -0.003 0.000 0.252 1025 G HA3 0.118 4.077 3.960 -0.003 0.000 0.252 1025 G C 1.015 176.004 174.900 0.149 0.000 1.206 1025 G CA -0.571 44.693 45.100 0.272 0.000 0.861 1025 G HN 0.771 nan 8.290 nan 0.000 0.561 1026 N N -0.894 117.870 118.700 0.107 0.000 2.142 1026 N HA -0.185 4.553 4.740 -0.003 0.000 0.186 1026 N C 1.861 177.392 175.510 0.035 0.000 1.023 1026 N CA 1.728 54.811 53.050 0.055 0.000 0.852 1026 N CB -0.436 38.074 38.487 0.037 0.000 0.998 1026 N HN 0.451 nan 8.380 nan 0.000 0.424 1027 S N -0.094 115.632 115.700 0.043 0.000 2.803 1027 S HA 0.180 4.649 4.470 -0.003 0.000 0.226 1027 S C 1.033 175.678 174.600 0.076 0.000 0.962 1027 S CA -0.209 58.013 58.200 0.037 0.000 0.968 1027 S CB -0.948 62.271 63.200 0.032 0.000 0.786 1027 S HN 0.504 nan 8.310 nan 0.000 0.527 1028 G N 0.215 109.064 108.800 0.081 0.000 2.611 1028 G HA2 0.533 4.492 3.960 -0.003 0.000 0.273 1028 G HA3 0.533 4.492 3.960 -0.003 0.000 0.273 1028 G C 0.256 175.196 174.900 0.067 0.000 1.305 1028 G CA -0.358 44.794 45.100 0.087 0.000 1.010 1028 G HN 0.595 nan 8.290 nan 0.000 0.509 1029 G N -2.222 106.618 108.800 0.067 0.000 2.491 1029 G HA2 0.575 4.534 3.960 -0.003 0.000 0.327 1029 G HA3 0.575 4.534 3.960 -0.003 0.000 0.327 1029 G C -0.712 174.208 174.900 0.034 0.000 1.189 1029 G CA 0.143 45.274 45.100 0.052 0.000 0.956 1029 G HN 0.891 nan 8.290 nan 0.000 0.491 1030 T N -2.219 112.350 114.554 0.026 0.000 2.942 1030 T HA 0.497 4.845 4.350 -0.003 0.000 0.327 1030 T C 1.049 175.762 174.700 0.022 0.000 1.360 1030 T CA 0.513 62.624 62.100 0.019 0.000 1.055 1030 T CB 1.310 70.180 68.868 0.003 0.000 1.261 1030 T HN 0.900 nan 8.240 nan 0.000 0.485 1031 G N 1.238 110.055 108.800 0.029 0.000 2.623 1031 G HA2 0.510 4.468 3.960 -0.003 0.000 0.214 1031 G HA3 0.510 4.468 3.960 -0.003 0.000 0.214 1031 G C 0.459 175.381 174.900 0.037 0.000 1.138 1031 G CA 0.393 45.519 45.100 0.043 0.000 0.794 1031 G HN 1.298 nan 8.290 nan 0.000 0.535 1032 A N -0.777 122.046 122.820 0.004 0.000 2.512 1032 A HA 0.694 5.013 4.320 -0.003 0.000 0.294 1032 A C -0.647 176.916 177.584 -0.035 0.000 1.054 1032 A CA 0.206 52.230 52.037 -0.023 0.000 0.756 1032 A CB 1.109 20.116 19.000 0.013 0.000 1.293 1032 A HN 1.094 nan 8.150 nan 0.000 0.395 1033 S N 2.661 118.320 115.700 -0.068 0.000 2.608 1033 S HA 0.733 5.201 4.470 -0.003 0.000 0.285 1033 S C -3.423 171.158 174.600 -0.032 0.000 1.108 1033 S CA -0.722 57.458 58.200 -0.033 0.000 0.858 1033 S CB 1.489 64.675 63.200 -0.023 0.000 1.077 1033 S HN 0.360 nan 8.310 nan 0.000 0.450 1034 P HA 0.218 nan 4.420 nan 0.000 0.269 1034 P C 0.251 177.575 177.300 0.040 0.000 1.215 1034 P CA -0.091 63.024 63.100 0.025 0.000 0.780 1034 P CB 0.346 32.077 31.700 0.050 0.000 0.898 1035 Q N 0.566 120.406 119.800 0.066 0.000 2.472 1035 Q HA -0.040 4.299 4.340 -0.003 0.000 0.208 1035 Q C 1.344 177.437 176.000 0.155 0.000 0.958 1035 Q CA 1.320 57.197 55.803 0.124 0.000 0.932 1035 Q CB -0.532 28.291 28.738 0.141 0.000 1.007 1035 Q HN 0.612 nan 8.270 nan 0.000 0.508 1036 T N -2.211 112.449 114.554 0.177 0.000 2.937 1036 T HA 0.020 4.368 4.350 -0.003 0.000 0.260 1036 T C 2.099 176.892 174.700 0.155 0.000 1.051 1036 T CA 0.894 63.170 62.100 0.293 0.000 1.141 1036 T CB -0.058 69.044 68.868 0.389 0.000 0.879 1036 T HN 0.047 nan 8.240 nan 0.000 0.459 1037 S N 1.755 117.516 115.700 0.103 0.000 2.428 1037 S HA 0.188 4.657 4.470 -0.003 0.000 0.230 1037 S C 1.810 176.394 174.600 -0.026 0.000 1.014 1037 S CA 0.532 58.760 58.200 0.047 0.000 0.957 1037 S CB -0.462 62.753 63.200 0.025 0.000 0.784 1037 S HN 0.450 nan 8.310 nan 0.000 0.499 1038 I N 0.673 121.224 120.570 -0.032 0.000 3.444 1038 I HA 0.016 4.184 4.170 -0.003 0.000 0.287 1038 I C 1.616 177.632 176.117 -0.168 0.000 1.302 1038 I CA 0.842 62.104 61.300 -0.064 0.000 1.368 1038 I CB 0.050 38.039 38.000 -0.018 0.000 1.048 1038 I HN 0.085 nan 8.210 nan 0.000 0.487 1039 K N -0.872 119.328 120.400 -0.333 0.000 2.517 1039 K HA 0.240 4.558 4.320 -0.003 0.000 0.210 1039 K C 0.236 176.293 176.600 -0.906 0.000 1.166 1039 K CA 0.270 56.164 56.287 -0.654 0.000 1.030 1039 K CB 0.999 32.982 32.500 -0.861 0.000 0.974 1039 K HN 0.133 nan 8.250 nan 0.000 0.585 1040 F N -0.061 119.847 119.950 -0.071 0.000 2.912 1040 F HA 0.345 4.870 4.527 -0.003 0.000 0.357 1040 F C 0.961 176.754 175.800 -0.011 0.000 1.003 1040 F CA -0.855 57.039 58.000 -0.176 0.000 1.132 1040 F CB -0.069 38.594 39.000 -0.562 0.000 1.055 1040 F HN -0.201 nan 8.300 nan 0.000 0.572 1041 A N 0.439 123.347 122.820 0.148 0.000 2.250 1041 A HA 0.642 4.961 4.320 -0.003 0.000 0.283 1041 A C 1.069 178.712 177.584 0.098 0.000 1.206 1041 A CA 0.155 52.266 52.037 0.124 0.000 0.840 1041 A CB -0.814 18.174 19.000 -0.021 0.000 1.220 1041 A HN 0.753 nan 8.150 nan 0.000 0.505 1042 G N -2.294 106.571 108.800 0.110 0.000 3.016 1042 G HA2 0.053 4.011 3.960 -0.003 0.000 0.518 1042 G HA3 0.053 4.011 3.960 -0.003 0.000 0.518 1042 G C -0.708 174.289 174.900 0.162 0.000 1.586 1042 G CA 0.274 45.471 45.100 0.161 0.000 1.051 1042 G HN 1.155 nan 8.290 nan 0.000 0.572 1043 L N 2.052 123.368 121.223 0.155 0.000 2.333 1043 L HA 0.614 4.952 4.340 -0.003 0.000 0.263 1043 L C -2.034 174.873 176.870 0.061 0.000 1.014 1043 L CA -2.173 52.723 54.840 0.095 0.000 0.820 1043 L CB 2.678 44.798 42.059 0.102 0.000 1.352 1043 L HN 0.425 nan 8.230 nan 0.000 0.421 1044 P HA -0.111 nan 4.420 nan 0.000 0.266 1044 P C 0.260 177.546 177.300 -0.024 0.000 1.193 1044 P CA 0.052 63.090 63.100 -0.104 0.000 0.770 1044 P CB 0.218 31.800 31.700 -0.198 0.000 0.836 1045 W N 2.659 123.967 121.300 0.014 0.000 2.388 1045 W HA -0.140 4.518 4.660 -0.002 0.000 0.294 1045 W C 0.808 177.333 176.519 0.011 0.000 1.212 1045 W CA 0.819 58.174 57.345 0.016 0.000 1.271 1045 W CB -1.468 28.001 29.460 0.015 0.000 1.126 1045 W HN 0.291 nan 8.180 nan 0.000 0.535 1046 E N 0.961 121.015 120.200 -0.243 0.000 2.147 1046 E HA -0.248 4.101 4.350 -0.003 0.000 0.199 1046 E C 2.323 178.935 176.600 0.019 0.000 1.005 1046 E CA 2.838 59.164 56.400 -0.123 0.000 0.810 1046 E CB -0.635 28.825 29.700 -0.400 0.000 0.736 1046 E HN 0.364 nan 8.360 nan 0.000 0.460 1047 M N -0.723 118.876 119.600 -0.002 0.000 2.095 1047 M HA 0.060 4.538 4.480 -0.003 0.000 0.257 1047 M C 2.559 178.905 176.300 0.077 0.000 1.089 1047 M CA 1.593 56.911 55.300 0.029 0.000 1.138 1047 M CB -0.974 31.633 32.600 0.011 0.000 1.303 1047 M HN 0.245 nan 8.290 nan 0.000 0.422 1048 G N 1.076 109.936 108.800 0.100 0.000 2.469 1048 G HA2 -0.233 3.726 3.960 -0.003 0.000 0.219 1048 G HA3 -0.233 3.726 3.960 -0.003 0.000 0.219 1048 G C 1.524 176.497 174.900 0.122 0.000 1.150 1048 G CA 1.021 46.186 45.100 0.109 0.000 0.763 1048 G HN 0.312 nan 8.290 nan 0.000 0.561 1049 L N 1.778 123.104 121.223 0.171 0.000 2.017 1049 L HA -0.067 4.271 4.340 -0.003 0.000 0.208 1049 L C 3.111 180.055 176.870 0.123 0.000 1.073 1049 L CA 2.702 57.628 54.840 0.142 0.000 0.745 1049 L CB -0.700 41.471 42.059 0.186 0.000 0.894 1049 L HN 0.327 nan 8.230 nan 0.000 0.432 1050 S N -1.315 114.464 115.700 0.131 0.000 2.356 1050 S HA -0.251 4.217 4.470 -0.003 0.000 0.223 1050 S C 1.911 176.591 174.600 0.133 0.000 1.032 1050 S CA 1.100 59.382 58.200 0.136 0.000 1.005 1050 S CB -0.922 62.345 63.200 0.112 0.000 0.867 1050 S HN 0.587 nan 8.310 nan 0.000 0.449 1051 E N 0.880 121.136 120.200 0.093 0.000 2.086 1051 E HA -0.205 4.144 4.350 -0.003 0.000 0.205 1051 E C 2.029 178.675 176.600 0.077 0.000 1.027 1051 E CA 1.952 58.395 56.400 0.072 0.000 0.830 1051 E CB -0.332 29.401 29.700 0.055 0.000 0.751 1051 E HN 0.435 nan 8.360 nan 0.000 0.456 1052 V N 0.189 120.154 119.914 0.084 0.000 2.261 1052 V HA -0.262 3.857 4.120 -0.003 0.000 0.246 1052 V C 2.316 178.477 176.094 0.113 0.000 1.047 1052 V CA 2.294 64.639 62.300 0.075 0.000 1.015 1052 V CB -0.761 31.097 31.823 0.058 0.000 0.642 1052 V HN 0.404 nan 8.190 nan 0.000 0.446 1053 H N 0.508 119.583 119.070 0.009 0.000 2.321 1053 H HA -0.216 4.338 4.556 -0.003 0.000 0.295 1053 H C 2.301 177.637 175.328 0.014 0.000 1.102 1053 H CA 2.529 58.578 56.048 0.002 0.000 1.266 1053 H CB -0.184 29.582 29.762 0.007 0.000 1.363 1053 H HN 0.590 nan 8.280 nan 0.000 0.492 1054 Q N -0.671 119.164 119.800 0.058 0.000 1.890 1054 Q HA -0.102 4.236 4.340 -0.003 0.000 0.208 1054 Q C 2.501 178.484 176.000 -0.030 0.000 0.982 1054 Q CA 1.632 57.411 55.803 -0.040 0.000 0.856 1054 Q CB -0.577 28.174 28.738 0.021 0.000 0.915 1054 Q HN 0.252 nan 8.270 nan 0.000 0.427 1055 V N 1.829 121.754 119.914 0.020 0.000 2.242 1055 V HA -0.350 3.769 4.120 -0.003 0.000 0.257 1055 V C 2.396 178.501 176.094 0.018 0.000 1.073 1055 V CA 2.104 64.427 62.300 0.037 0.000 1.058 1055 V CB -0.903 30.948 31.823 0.047 0.000 0.664 1055 V HN 0.384 nan 8.190 nan 0.000 0.451 1056 L N -0.792 120.432 121.223 0.001 0.000 2.081 1056 L HA -0.264 4.074 4.340 -0.003 0.000 0.212 1056 L C 2.624 179.474 176.870 -0.033 0.000 1.080 1056 L CA 2.287 57.117 54.840 -0.016 0.000 0.754 1056 L CB -0.893 41.161 42.059 -0.009 0.000 0.893 1056 L HN 0.425 nan 8.230 nan 0.000 0.433 1057 T N -0.148 114.363 114.554 -0.072 0.000 2.737 1057 T HA -0.165 4.184 4.350 -0.003 0.000 0.265 1057 T C 1.841 176.545 174.700 0.007 0.000 1.038 1057 T CA 0.859 62.920 62.100 -0.064 0.000 1.144 1057 T CB -0.153 68.610 68.868 -0.175 0.000 0.866 1057 T HN 0.210 nan 8.240 nan 0.000 0.434 1058 L N 1.211 122.451 121.223 0.027 0.000 2.551 1058 L HA -0.030 4.309 4.340 -0.003 0.000 0.230 1058 L C 1.081 178.037 176.870 0.142 0.000 1.163 1058 L CA 1.189 56.091 54.840 0.104 0.000 0.826 1058 L CB -0.228 41.911 42.059 0.133 0.000 0.943 1058 L HN 0.378 nan 8.230 nan 0.000 0.452 1059 N N -0.130 118.581 118.700 0.018 0.000 2.241 1059 N HA 0.122 4.860 4.740 -0.003 0.000 0.238 1059 N C -0.427 175.005 175.510 -0.131 0.000 1.244 1059 N CA -0.254 52.715 53.050 -0.136 0.000 0.880 1059 N CB 0.766 39.126 38.487 -0.213 0.000 1.179 1059 N HN 0.128 nan 8.380 nan 0.000 0.513 1060 R N 0.834 121.296 120.500 -0.063 0.000 3.333 1060 R HA -0.155 4.184 4.340 -0.003 0.000 0.256 1060 R C 0.274 176.478 176.300 -0.160 0.000 1.010 1060 R CA 0.351 56.381 56.100 -0.116 0.000 0.680 1060 R CB -1.917 28.290 30.300 -0.155 0.000 1.102 1060 R HN 0.352 nan 8.270 nan 0.000 0.440 1061 L N -1.465 119.704 121.223 -0.091 0.000 2.840 1061 L HA 0.128 4.467 4.340 -0.003 0.000 0.249 1061 L C 1.822 178.677 176.870 -0.026 0.000 1.119 1061 L CA -0.389 54.405 54.840 -0.077 0.000 0.930 1061 L CB 0.075 42.093 42.059 -0.069 0.000 1.295 1061 L HN 0.015 nan 8.230 nan 0.000 0.534 1062 R N 0.249 120.746 120.500 -0.005 0.000 2.455 1062 R HA -0.177 4.162 4.340 -0.003 0.000 0.211 1062 R C 0.544 176.804 176.300 -0.065 0.000 1.143 1062 R CA 1.302 57.389 56.100 -0.022 0.000 1.110 1062 R CB -0.846 29.421 30.300 -0.055 0.000 0.819 1062 R HN 0.408 nan 8.270 nan 0.000 0.485 1063 H N -2.622 116.424 119.070 -0.040 0.000 3.078 1063 H HA 0.362 4.917 4.556 -0.002 0.000 0.263 1063 H C 0.983 176.295 175.328 -0.028 0.000 1.177 1063 H CA -0.213 55.832 56.048 -0.006 0.000 1.128 1063 H CB 0.521 30.291 29.762 0.013 0.000 1.623 1063 H HN 0.033 nan 8.280 nan 0.000 0.592 1064 R N -0.106 120.419 120.500 0.042 0.000 2.290 1064 R HA 0.262 4.601 4.340 -0.003 0.000 0.197 1064 R C -0.491 175.807 176.300 -0.005 0.000 0.913 1064 R CA 0.236 56.342 56.100 0.010 0.000 1.040 1064 R CB 0.937 31.226 30.300 -0.018 0.000 0.992 1064 R HN 0.006 nan 8.270 nan 0.000 0.500 1065 V N 0.454 120.360 119.914 -0.014 0.000 2.925 1065 V HA 0.392 4.511 4.120 -0.003 0.000 0.311 1065 V C -0.821 175.249 176.094 -0.041 0.000 1.104 1065 V CA -0.940 61.344 62.300 -0.027 0.000 0.954 1065 V CB 2.365 34.172 31.823 -0.025 0.000 1.022 1065 V HN 0.077 nan 8.190 nan 0.000 0.427 1066 R N 3.128 123.597 120.500 -0.052 0.000 2.573 1066 R HA 0.689 5.027 4.340 -0.003 0.000 0.272 1066 R C -1.296 174.950 176.300 -0.089 0.000 1.009 1066 R CA -0.640 55.416 56.100 -0.074 0.000 1.059 1066 R CB 1.370 31.624 30.300 -0.078 0.000 1.112 1066 R HN 0.538 nan 8.270 nan 0.000 0.517 1067 L N 2.287 123.437 121.223 -0.122 0.000 2.346 1067 L HA 0.588 4.927 4.340 -0.003 0.000 0.274 1067 L C -0.131 176.602 176.870 -0.228 0.000 1.007 1067 L CA -0.762 53.994 54.840 -0.141 0.000 0.818 1067 L CB 2.006 43.990 42.059 -0.125 0.000 1.284 1067 L HN 0.517 nan 8.230 nan 0.000 0.424 1068 R N 0.689 121.058 120.500 -0.218 0.000 2.795 1068 R HA 0.706 5.044 4.340 -0.003 0.000 0.275 1068 R C -1.262 174.883 176.300 -0.258 0.000 0.981 1068 R CA -0.296 55.630 56.100 -0.289 0.000 0.917 1068 R CB 2.549 32.728 30.300 -0.202 0.000 1.202 1068 R HN 0.648 nan 8.270 nan 0.000 0.469 1069 T N 1.024 115.382 114.554 -0.328 0.000 2.900 1069 T HA 0.479 4.827 4.350 -0.003 0.000 0.303 1069 T C -1.985 172.527 174.700 -0.314 0.000 1.142 1069 T CA -0.602 61.312 62.100 -0.310 0.000 1.007 1069 T CB 1.397 70.006 68.868 -0.432 0.000 1.156 1069 T HN 0.779 nan 8.240 nan 0.000 0.490 1070 D N 0.155 120.402 120.400 -0.255 0.000 2.626 1070 D HA 0.657 5.295 4.640 -0.003 0.000 0.278 1070 D C 0.132 176.381 176.300 -0.084 0.000 1.211 1070 D CA -0.123 53.768 54.000 -0.182 0.000 0.903 1070 D CB 1.060 41.818 40.800 -0.070 0.000 1.408 1070 D HN 1.070 nan 8.370 nan 0.000 0.454 1071 G N -1.677 107.153 108.800 0.050 0.000 2.419 1071 G HA2 0.509 4.468 3.960 -0.003 0.000 0.228 1071 G HA3 0.509 4.468 3.960 -0.003 0.000 0.228 1071 G C 0.673 175.752 174.900 0.299 0.000 1.177 1071 G CA 0.342 45.582 45.100 0.234 0.000 0.876 1071 G HN 1.711 nan 8.290 nan 0.000 0.493 1072 G N -0.683 108.247 108.800 0.217 0.000 2.143 1072 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.175 1072 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.175 1072 G C 0.371 175.374 174.900 0.173 0.000 1.004 1072 G CA -0.074 45.150 45.100 0.207 0.000 0.671 1072 G HN 1.166 nan 8.290 nan 0.000 0.512 1073 L N 0.596 121.907 121.223 0.146 0.000 2.433 1073 L HA 0.343 4.681 4.340 -0.003 0.000 0.284 1073 L C 1.362 178.270 176.870 0.064 0.000 1.120 1073 L CA 0.053 54.940 54.840 0.077 0.000 0.879 1073 L CB 0.622 42.662 42.059 -0.032 0.000 1.232 1073 L HN 0.200 nan 8.230 nan 0.000 0.454 1074 K N 0.798 121.224 120.400 0.044 0.000 2.373 1074 K HA 0.225 4.543 4.320 -0.003 0.000 0.200 1074 K C 0.214 176.889 176.600 0.125 0.000 1.054 1074 K CA 0.080 56.437 56.287 0.117 0.000 1.065 1074 K CB 0.974 33.436 32.500 -0.063 0.000 0.886 1074 K HN 0.422 nan 8.250 nan 0.000 0.546 1075 T N -0.968 113.599 114.554 0.022 0.000 2.896 1075 T HA 0.277 4.625 4.350 -0.003 0.000 0.297 1075 T C 0.980 175.694 174.700 0.022 0.000 1.108 1075 T CA -0.485 61.624 62.100 0.015 0.000 1.004 1075 T CB 1.867 70.669 68.868 -0.111 0.000 1.159 1075 T HN 0.152 nan 8.240 nan 0.000 0.499 1076 G N 1.419 110.272 108.800 0.089 0.000 2.553 1076 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.218 1076 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.218 1076 G C 1.499 176.396 174.900 -0.004 0.000 1.195 1076 G CA 1.605 46.744 45.100 0.065 0.000 0.779 1076 G HN 0.748 nan 8.290 nan 0.000 0.577 1077 R N 0.516 121.012 120.500 -0.007 0.000 2.091 1077 R HA -0.124 4.214 4.340 -0.003 0.000 0.238 1077 R C 1.954 178.255 176.300 0.002 0.000 1.136 1077 R CA 2.003 58.097 56.100 -0.011 0.000 0.959 1077 R CB -0.694 29.595 30.300 -0.018 0.000 0.856 1077 R HN 0.206 nan 8.270 nan 0.000 0.437 1078 D N 0.614 121.018 120.400 0.008 0.000 2.239 1078 D HA -0.167 4.471 4.640 -0.003 0.000 0.202 1078 D C 1.847 178.170 176.300 0.038 0.000 0.993 1078 D CA 1.367 55.417 54.000 0.083 0.000 0.874 1078 D CB -0.057 40.791 40.800 0.081 0.000 0.922 1078 D HN 0.424 nan 8.370 nan 0.000 0.464 1079 I N -0.480 120.031 120.570 -0.098 0.000 2.585 1079 I HA -0.138 4.031 4.170 -0.003 0.000 0.254 1079 I C 2.197 178.159 176.117 -0.258 0.000 1.129 1079 I CA 0.193 61.310 61.300 -0.304 0.000 1.455 1079 I CB 0.194 37.907 38.000 -0.478 0.000 1.111 1079 I HN -0.122 nan 8.210 nan 0.000 0.433 1080 V N 1.593 121.428 119.914 -0.132 0.000 2.237 1080 V HA -0.295 3.824 4.120 -0.003 0.000 0.245 1080 V C 2.362 178.451 176.094 -0.007 0.000 1.046 1080 V CA 1.950 64.203 62.300 -0.077 0.000 1.007 1080 V CB -0.418 31.377 31.823 -0.046 0.000 0.638 1080 V HN 0.290 nan 8.190 nan 0.000 0.445 1081 I N 0.650 121.244 120.570 0.040 0.000 2.236 1081 I HA -0.341 3.827 4.170 -0.003 0.000 0.249 1081 I C 2.592 178.814 176.117 0.175 0.000 1.102 1081 I CA 1.801 63.162 61.300 0.101 0.000 1.365 1081 I CB -0.684 37.404 38.000 0.146 0.000 1.051 1081 I HN 0.353 nan 8.210 nan 0.000 0.420 1082 A N 0.569 123.504 122.820 0.192 0.000 1.969 1082 A HA -0.032 4.287 4.320 -0.003 0.000 0.218 1082 A C 2.555 180.228 177.584 0.149 0.000 1.169 1082 A CA 1.544 53.676 52.037 0.159 0.000 0.635 1082 A CB -0.557 18.364 19.000 -0.132 0.000 0.810 1082 A HN 0.445 nan 8.150 nan 0.000 0.445 1083 A N -0.108 122.821 122.820 0.181 0.000 1.873 1083 A HA -0.111 4.208 4.320 -0.003 0.000 0.215 1083 A C 2.209 179.791 177.584 -0.004 0.000 1.186 1083 A CA 1.727 53.848 52.037 0.139 0.000 0.616 1083 A CB -0.582 18.497 19.000 0.131 0.000 0.823 1083 A HN 0.510 nan 8.150 nan 0.000 0.442 1084 M N -0.321 119.270 119.600 -0.015 0.000 2.202 1084 M HA -0.087 4.392 4.480 -0.003 0.000 0.262 1084 M C 1.563 177.833 176.300 -0.049 0.000 1.063 1084 M CA 1.084 56.353 55.300 -0.051 0.000 1.097 1084 M CB -0.428 32.143 32.600 -0.049 0.000 1.382 1084 M HN 0.300 nan 8.290 nan 0.000 0.413 1085 L N -0.887 120.332 121.223 -0.006 0.000 2.554 1085 L HA 0.072 4.410 4.340 -0.003 0.000 0.226 1085 L C 1.373 178.135 176.870 -0.180 0.000 1.137 1085 L CA 0.845 55.680 54.840 -0.008 0.000 0.863 1085 L CB -0.355 41.772 42.059 0.112 0.000 0.985 1085 L HN 0.644 nan 8.230 nan 0.000 0.451 1086 G N -0.770 107.855 108.800 -0.292 0.000 2.370 1086 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.174 1086 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.174 1086 G C 0.247 174.938 174.900 -0.347 0.000 1.002 1086 G CA -0.118 44.602 45.100 -0.632 0.000 0.730 1086 G HN 0.367 nan 8.290 nan 0.000 0.497 1087 A N 0.100 122.801 122.820 -0.199 0.000 2.302 1087 A HA 0.807 5.126 4.320 -0.003 0.000 0.285 1087 A C 0.771 178.189 177.584 -0.277 0.000 1.105 1087 A CA 0.423 52.304 52.037 -0.260 0.000 0.816 1087 A CB 0.658 19.474 19.000 -0.305 0.000 1.067 1087 A HN 0.282 nan 8.150 nan 0.000 0.489 1088 E N -0.112 119.845 120.200 -0.405 0.000 2.485 1088 E HA 0.117 4.466 4.350 -0.003 0.000 0.213 1088 E C -0.436 175.841 176.600 -0.538 0.000 0.923 1088 E CA 0.260 56.473 56.400 -0.311 0.000 1.054 1088 E CB 0.695 30.279 29.700 -0.194 0.000 1.077 1088 E HN 0.766 nan 8.360 nan 0.000 0.509 1089 E N 0.221 119.832 120.200 -0.982 0.000 2.356 1089 E HA 0.415 4.763 4.350 -0.003 0.000 0.275 1089 E C -1.437 174.385 176.600 -1.296 0.000 0.904 1089 E CA -0.574 55.296 56.400 -0.883 0.000 0.757 1089 E CB 1.947 31.429 29.700 -0.363 0.000 1.232 1089 E HN -0.133 nan 8.360 nan 0.000 0.442 1090 F N -0.101 119.841 119.950 -0.012 0.000 2.556 1090 F HA 0.557 5.082 4.527 -0.003 0.000 0.314 1090 F C 0.568 176.292 175.800 -0.126 0.000 1.106 1090 F CA -0.933 56.997 58.000 -0.117 0.000 0.911 1090 F CB 1.985 40.909 39.000 -0.127 0.000 1.190 1090 F HN 0.419 nan 8.300 nan 0.000 0.448 1091 G N 2.225 111.003 108.800 -0.037 0.000 2.372 1091 G HA2 0.706 4.664 3.960 -0.003 0.000 0.323 1091 G HA3 0.706 4.664 3.960 -0.003 0.000 0.323 1091 G C -1.277 173.595 174.900 -0.047 0.000 1.152 1091 G CA -0.603 44.479 45.100 -0.029 0.000 0.906 1091 G HN 0.598 nan 8.290 nan 0.000 0.460 1092 I N 2.809 123.369 120.570 -0.017 0.000 2.466 1092 I HA 0.343 4.512 4.170 -0.003 0.000 0.279 1092 I C 1.073 177.251 176.117 0.102 0.000 1.033 1092 I CA -0.424 60.876 61.300 -0.001 0.000 1.123 1092 I CB 1.928 39.832 38.000 -0.160 0.000 1.237 1092 I HN 0.632 nan 8.210 nan 0.000 0.460 1093 G N 2.650 111.506 108.800 0.093 0.000 2.600 1093 G HA2 -0.025 3.934 3.960 -0.003 0.000 0.225 1093 G HA3 -0.025 3.934 3.960 -0.003 0.000 0.225 1093 G C 1.156 176.099 174.900 0.072 0.000 1.623 1093 G CA 0.719 45.869 45.100 0.084 0.000 0.903 1093 G HN 0.401 nan 8.290 nan 0.000 0.574 1094 T N 2.109 116.701 114.554 0.063 0.000 2.594 1094 T HA -0.277 4.071 4.350 -0.003 0.000 0.266 1094 T C 2.660 177.309 174.700 -0.086 0.000 1.070 1094 T CA 2.572 64.657 62.100 -0.025 0.000 1.166 1094 T CB -0.675 68.210 68.868 0.028 0.000 0.862 1094 T HN 0.437 nan 8.240 nan 0.000 0.436 1095 A N 1.446 124.331 122.820 0.108 0.000 1.972 1095 A HA -0.120 4.199 4.320 -0.003 0.000 0.219 1095 A C 2.551 180.177 177.584 0.070 0.000 1.169 1095 A CA 2.257 54.366 52.037 0.120 0.000 0.635 1095 A CB -0.798 18.467 19.000 0.442 0.000 0.810 1095 A HN 0.673 nan 8.150 nan 0.000 0.446 1096 S N 0.111 115.876 115.700 0.109 0.000 2.402 1096 S HA -0.055 4.413 4.470 -0.003 0.000 0.229 1096 S C 1.854 176.462 174.600 0.014 0.000 1.021 1096 S CA 1.191 59.447 58.200 0.093 0.000 0.974 1096 S CB -0.700 62.594 63.200 0.156 0.000 0.800 1096 S HN 0.466 nan 8.310 nan 0.000 0.484 1097 L N 1.078 122.293 121.223 -0.014 0.000 2.012 1097 L HA -0.071 4.268 4.340 -0.003 0.000 0.210 1097 L C 2.650 179.474 176.870 -0.077 0.000 1.073 1097 L CA 1.586 56.408 54.840 -0.030 0.000 0.748 1097 L CB -0.755 41.273 42.059 -0.050 0.000 0.891 1097 L HN 0.324 nan 8.230 nan 0.000 0.431 1098 I N -0.004 120.459 120.570 -0.177 0.000 2.423 1098 I HA -0.278 3.890 4.170 -0.003 0.000 0.254 1098 I C 2.677 178.723 176.117 -0.119 0.000 1.151 1098 I CA 1.121 62.292 61.300 -0.215 0.000 1.421 1098 I CB -0.390 37.350 38.000 -0.435 0.000 1.079 1098 I HN 0.239 nan 8.210 nan 0.000 0.431 1099 A N 0.242 123.018 122.820 -0.074 0.000 1.970 1099 A HA -0.071 4.248 4.320 -0.003 0.000 0.216 1099 A C 2.231 179.771 177.584 -0.074 0.000 1.170 1099 A CA 0.803 52.807 52.037 -0.054 0.000 0.645 1099 A CB -0.355 18.634 19.000 -0.019 0.000 0.816 1099 A HN 0.322 nan 8.150 nan 0.000 0.447 1100 M N -1.113 118.455 119.600 -0.052 0.000 2.686 1100 M HA 0.079 4.558 4.480 -0.003 0.000 0.246 1100 M C 1.393 177.625 176.300 -0.115 0.000 1.096 1100 M CA 1.008 56.270 55.300 -0.063 0.000 1.076 1100 M CB 0.144 32.808 32.600 0.108 0.000 1.504 1100 M HN 0.658 nan 8.290 nan 0.000 0.524 1101 G N -0.317 108.433 108.800 -0.083 0.000 2.296 1101 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.188 1101 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.188 1101 G C 0.188 175.062 174.900 -0.043 0.000 1.000 1101 G CA -0.225 44.829 45.100 -0.076 0.000 0.672 1101 G HN 0.453 nan 8.290 nan 0.000 0.483 1102 C N 2.164 121.438 119.300 -0.044 0.000 2.502 1102 C HA 0.400 4.859 4.460 -0.003 0.000 0.404 1102 C C 2.243 177.188 174.990 -0.074 0.000 1.409 1102 C CA 0.901 59.885 59.018 -0.055 0.000 1.648 1102 C CB -0.836 26.841 27.740 -0.104 0.000 2.571 1102 C HN 0.831 nan 8.230 nan 0.000 0.601 1103 I N 3.605 124.152 120.570 -0.038 0.000 4.082 1103 I HA 0.347 4.515 4.170 -0.003 0.000 0.337 1103 I C 0.719 176.824 176.117 -0.020 0.000 1.352 1103 I CA -0.122 61.165 61.300 -0.023 0.000 1.097 1103 I CB -0.189 37.817 38.000 0.010 0.000 1.048 1103 I HN 0.625 nan 8.210 nan 0.000 0.393 1104 M N 1.247 120.821 119.600 -0.044 0.000 2.492 1104 M HA -0.143 4.335 4.480 -0.003 0.000 0.208 1104 M C 0.198 176.508 176.300 0.017 0.000 0.467 1104 M CA 0.264 55.541 55.300 -0.037 0.000 0.554 1104 M CB -1.763 30.804 32.600 -0.055 0.000 1.977 1104 M HN 0.222 nan 8.290 nan 0.000 0.846 1105 V N 0.120 120.048 119.914 0.024 0.000 3.650 1105 V HA 0.262 4.380 4.120 -0.003 0.000 0.271 1105 V C 1.250 177.379 176.094 0.059 0.000 1.281 1105 V CA 1.349 63.673 62.300 0.039 0.000 1.120 1105 V CB -0.201 31.640 31.823 0.031 0.000 0.856 1105 V HN 0.740 nan 8.190 nan 0.000 0.443 1106 R N 0.726 121.267 120.500 0.068 0.000 3.423 1106 R HA -0.189 4.150 4.340 -0.003 0.000 0.271 1106 R C 0.125 176.536 176.300 0.185 0.000 1.093 1106 R CA 0.887 57.057 56.100 0.117 0.000 0.730 1106 R CB -1.728 28.645 30.300 0.122 0.000 1.190 1106 R HN 0.691 nan 8.270 nan 0.000 0.437 1107 Q N -1.374 118.505 119.800 0.132 0.000 2.217 1107 Q HA 0.176 4.514 4.340 -0.003 0.000 0.340 1107 Q C 0.666 176.729 176.000 0.105 0.000 0.893 1107 Q CA -0.341 55.505 55.803 0.072 0.000 1.142 1107 Q CB 0.734 29.457 28.738 -0.025 0.000 1.288 1107 Q HN 0.388 nan 8.270 nan 0.000 0.426 1108 C N 0.403 119.858 119.300 0.259 0.000 2.446 1108 C HA -0.076 4.382 4.460 -0.003 0.000 0.279 1108 C C 2.034 177.189 174.990 0.275 0.000 1.366 1108 C CA 0.571 59.712 59.018 0.204 0.000 1.763 1108 C CB -0.991 26.833 27.740 0.141 0.000 1.929 1108 C HN 0.694 nan 8.230 nan 0.000 0.509 1109 H N -0.125 118.999 119.070 0.090 0.000 2.535 1109 H HA 0.127 4.681 4.556 -0.003 0.000 0.273 1109 H C 1.779 177.247 175.328 0.233 0.000 0.983 1109 H CA 0.866 56.982 56.048 0.114 0.000 1.238 1109 H CB -0.821 29.007 29.762 0.109 0.000 1.412 1109 H HN 0.336 nan 8.280 nan 0.000 0.562 1110 S N 0.588 116.253 115.700 -0.058 0.000 2.496 1110 S HA -0.072 4.396 4.470 -0.003 0.000 0.224 1110 S C 0.632 175.307 174.600 0.125 0.000 0.996 1110 S CA 0.469 58.644 58.200 -0.040 0.000 0.927 1110 S CB -0.257 62.764 63.200 -0.299 0.000 0.774 1110 S HN 0.506 nan 8.310 nan 0.000 0.524 1111 N N 1.541 120.351 118.700 0.183 0.000 2.780 1111 N HA -0.147 4.592 4.740 -0.003 0.000 0.248 1111 N C -0.248 175.290 175.510 0.047 0.000 1.102 1111 N CA 1.144 54.294 53.050 0.166 0.000 0.697 1111 N CB -1.617 37.062 38.487 0.320 0.000 1.028 1111 N HN 0.532 nan 8.380 nan 0.000 0.554 1112 T N -2.814 111.749 114.554 0.014 0.000 3.732 1112 T HA 0.355 4.703 4.350 -0.003 0.000 0.234 1112 T C 0.044 174.748 174.700 0.007 0.000 1.146 1112 T CA -0.429 61.665 62.100 -0.010 0.000 1.454 1112 T CB -0.555 68.284 68.868 -0.048 0.000 0.910 1112 T HN 0.311 nan 8.240 nan 0.000 0.640 1113 C N 3.477 122.793 119.300 0.027 0.000 2.373 1113 C HA 0.485 4.944 4.460 -0.003 0.000 0.354 1113 C C -0.882 174.131 174.990 0.038 0.000 1.249 1113 C CA -1.680 57.360 59.018 0.037 0.000 1.784 1113 C CB 0.551 28.322 27.740 0.052 0.000 2.408 1113 C HN 0.519 nan 8.230 nan 0.000 0.542 1114 P HA -0.103 nan 4.420 nan 0.000 0.221 1114 P C 0.695 178.022 177.300 0.045 0.000 1.141 1114 P CA 1.392 64.510 63.100 0.029 0.000 0.794 1114 P CB 0.166 31.880 31.700 0.024 0.000 0.764 1115 V N -3.849 116.105 119.914 0.067 0.000 3.440 1115 V HA 0.355 4.473 4.120 -0.003 0.000 0.301 1115 V C 1.349 177.557 176.094 0.189 0.000 1.555 1115 V CA 0.457 62.816 62.300 0.098 0.000 1.095 1115 V CB 0.236 32.104 31.823 0.076 0.000 0.936 1115 V HN 0.219 nan 8.190 nan 0.000 0.452 1116 G N 0.521 109.411 108.800 0.151 0.000 2.176 1116 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.253 1116 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.253 1116 G C 0.592 175.560 174.900 0.113 0.000 0.979 1116 G CA 0.602 45.797 45.100 0.158 0.000 0.641 1116 G HN 0.298 nan 8.290 nan 0.000 0.530 1117 V N 0.669 120.680 119.914 0.161 0.000 2.261 1117 V HA -0.027 4.092 4.120 -0.003 0.000 0.235 1117 V C 2.326 178.438 176.094 0.031 0.000 1.044 1117 V CA 1.822 64.190 62.300 0.114 0.000 1.007 1117 V CB -0.432 31.476 31.823 0.142 0.000 0.647 1117 V HN 1.151 nan 8.190 nan 0.000 0.462 1118 C N 1.619 120.947 119.300 0.047 0.000 2.328 1118 C HA 0.783 5.242 4.460 -0.003 0.000 0.446 1118 C C -0.138 174.877 174.990 0.042 0.000 1.090 1118 C CA -1.037 58.004 59.018 0.038 0.000 1.510 1118 C CB -0.952 26.815 27.740 0.045 0.000 1.543 1118 C HN 0.252 nan 8.230 nan 0.000 0.533 1119 V N 3.124 123.051 119.914 0.022 0.000 2.969 1119 V HA 0.445 4.563 4.120 -0.003 0.000 0.304 1119 V C -0.347 175.754 176.094 0.013 0.000 1.192 1119 V CA 0.038 62.359 62.300 0.034 0.000 0.962 1119 V CB 2.424 34.272 31.823 0.042 0.000 1.045 1119 V HN 0.544 nan 8.190 nan 0.000 0.428 1120 Q N 1.912 121.728 119.800 0.026 0.000 2.408 1120 Q HA 0.153 4.492 4.340 -0.003 0.000 0.205 1120 Q C 0.358 176.364 176.000 0.011 0.000 0.919 1120 Q CA 0.504 56.310 55.803 0.005 0.000 0.932 1120 Q CB -0.130 28.611 28.738 0.004 0.000 1.058 1120 Q HN 0.945 nan 8.270 nan 0.000 0.517 1121 D N 0.989 121.406 120.400 0.029 0.000 2.458 1121 D HA -0.074 4.564 4.640 -0.003 0.000 0.243 1121 D C 0.678 176.983 176.300 0.008 0.000 1.146 1121 D CA 0.226 54.239 54.000 0.020 0.000 0.877 1121 D CB 0.740 41.553 40.800 0.021 0.000 1.176 1121 D HN -0.168 nan 8.370 nan 0.000 0.461 1122 D N 3.051 123.453 120.400 0.003 0.000 2.104 1122 D HA -0.153 4.485 4.640 -0.003 0.000 0.194 1122 D C 1.445 177.749 176.300 0.007 0.000 0.994 1122 D CA 1.177 55.177 54.000 -0.000 0.000 0.830 1122 D CB 0.267 41.065 40.800 -0.004 0.000 0.959 1122 D HN 0.522 nan 8.370 nan 0.000 0.452 1123 K N -0.082 120.323 120.400 0.007 0.000 2.097 1123 K HA -0.097 4.221 4.320 -0.003 0.000 0.205 1123 K C 2.004 178.616 176.600 0.019 0.000 1.050 1123 K CA 0.248 56.541 56.287 0.010 0.000 0.938 1123 K CB 0.021 32.524 32.500 0.005 0.000 0.718 1123 K HN 0.021 nan 8.250 nan 0.000 0.442 1124 L N 1.322 122.556 121.223 0.019 0.000 2.093 1124 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 1124 L C 1.666 178.562 176.870 0.045 0.000 1.085 1124 L CA 1.562 56.419 54.840 0.029 0.000 0.755 1124 L CB -0.425 41.649 42.059 0.024 0.000 0.904 1124 L HN 0.026 nan 8.230 nan 0.000 0.435 1125 R N -0.897 119.621 120.500 0.031 0.000 2.357 1125 R HA -0.089 4.249 4.340 -0.003 0.000 0.202 1125 R C 1.439 177.782 176.300 0.072 0.000 1.047 1125 R CA 0.387 56.506 56.100 0.032 0.000 1.034 1125 R CB -0.121 30.173 30.300 -0.010 0.000 0.875 1125 R HN 0.557 nan 8.270 nan 0.000 0.473 1126 Q N -0.361 119.481 119.800 0.071 0.000 2.247 1126 Q HA 0.075 4.413 4.340 -0.003 0.000 0.211 1126 Q C 0.720 176.778 176.000 0.096 0.000 0.861 1126 Q CA 0.210 56.061 55.803 0.079 0.000 0.949 1126 Q CB 0.745 29.511 28.738 0.047 0.000 1.115 1126 Q HN 0.199 nan 8.270 nan 0.000 0.507 1127 K N 0.392 120.854 120.400 0.103 0.000 2.437 1127 K HA 0.077 4.396 4.320 -0.003 0.000 0.198 1127 K C -0.124 176.555 176.600 0.131 0.000 1.024 1127 K CA -0.123 56.219 56.287 0.091 0.000 1.148 1127 K CB 0.187 32.725 32.500 0.065 0.000 0.860 1127 K HN 0.019 nan 8.250 nan 0.000 0.515 1128 F N 2.020 121.977 119.950 0.012 0.000 2.467 1128 F HA 0.007 4.532 4.527 -0.003 0.000 0.362 1128 F C 0.877 176.684 175.800 0.012 0.000 1.090 1128 F CA -0.601 57.407 58.000 0.013 0.000 1.202 1128 F CB 0.883 39.895 39.000 0.020 0.000 1.113 1128 F HN -0.180 nan 8.300 nan 0.000 0.541 1129 V N 4.048 123.579 119.914 -0.638 0.000 3.176 1129 V HA 0.495 4.613 4.120 -0.003 0.000 0.332 1129 V C 0.875 176.483 176.094 -0.810 0.000 1.414 1129 V CA 0.143 62.112 62.300 -0.553 0.000 1.133 1129 V CB -0.627 31.029 31.823 -0.279 0.000 1.088 1129 V HN 0.872 nan 8.190 nan 0.000 0.473 1130 G N 0.192 107.922 108.800 -1.783 0.000 2.636 1130 G HA2 0.493 4.452 3.960 -0.003 0.000 0.246 1130 G HA3 0.493 4.452 3.960 -0.003 0.000 0.246 1130 G C -0.352 174.320 174.900 -0.379 0.000 1.216 1130 G CA 0.320 44.868 45.100 -0.920 0.000 0.854 1130 G HN 0.427 nan 8.290 nan 0.000 0.572 1131 T N 1.634 116.094 114.554 -0.156 0.000 2.982 1131 T HA 0.417 4.766 4.350 -0.003 0.000 0.321 1131 T C -1.887 172.761 174.700 -0.086 0.000 1.229 1131 T CA -0.562 61.489 62.100 -0.080 0.000 1.044 1131 T CB 2.522 71.329 68.868 -0.103 0.000 1.184 1131 T HN 0.192 nan 8.240 nan 0.000 0.477 1132 P HA -0.098 nan 4.420 nan 0.000 0.214 1132 P C 1.104 178.312 177.300 -0.154 0.000 1.163 1132 P CA 1.212 64.223 63.100 -0.148 0.000 0.889 1132 P CB 0.242 31.843 31.700 -0.165 0.000 0.790 1133 E N -0.152 119.973 120.200 -0.125 0.000 2.187 1133 E HA -0.211 4.138 4.350 -0.003 0.000 0.199 1133 E C 1.817 178.333 176.600 -0.140 0.000 1.004 1133 E CA 1.320 57.646 56.400 -0.123 0.000 0.813 1133 E CB -0.604 29.043 29.700 -0.089 0.000 0.736 1133 E HN 0.336 nan 8.360 nan 0.000 0.468 1134 K N 0.093 120.415 120.400 -0.130 0.000 2.031 1134 K HA -0.025 4.293 4.320 -0.003 0.000 0.205 1134 K C 2.245 178.753 176.600 -0.153 0.000 1.049 1134 K CA 1.057 57.268 56.287 -0.128 0.000 0.939 1134 K CB -0.420 32.014 32.500 -0.110 0.000 0.717 1134 K HN 0.051 nan 8.250 nan 0.000 0.438 1135 V N 1.803 121.618 119.914 -0.165 0.000 2.261 1135 V HA -0.227 3.891 4.120 -0.003 0.000 0.246 1135 V C 2.516 178.433 176.094 -0.294 0.000 1.047 1135 V CA 1.526 63.698 62.300 -0.215 0.000 1.015 1135 V CB -0.423 31.241 31.823 -0.265 0.000 0.642 1135 V HN 0.029 nan 8.190 nan 0.000 0.446 1136 V N 0.913 120.650 119.914 -0.294 0.000 2.370 1136 V HA -0.318 3.800 4.120 -0.003 0.000 0.252 1136 V C 2.301 178.234 176.094 -0.269 0.000 1.068 1136 V CA 2.329 64.463 62.300 -0.277 0.000 1.061 1136 V CB -1.006 30.686 31.823 -0.218 0.000 0.656 1136 V HN 0.605 nan 8.190 nan 0.000 0.455 1137 N N -0.081 118.424 118.700 -0.325 0.000 2.166 1137 N HA -0.140 4.598 4.740 -0.003 0.000 0.186 1137 N C 1.647 176.705 175.510 -0.754 0.000 1.019 1137 N CA 1.285 53.969 53.050 -0.611 0.000 0.856 1137 N CB -0.561 37.568 38.487 -0.596 0.000 0.993 1137 N HN 0.419 nan 8.380 nan 0.000 0.426 1138 L N 0.434 121.473 121.223 -0.307 0.000 1.970 1138 L HA -0.114 4.225 4.340 -0.003 0.000 0.212 1138 L C 1.837 178.765 176.870 0.097 0.000 1.071 1138 L CA 1.652 56.465 54.840 -0.045 0.000 0.751 1138 L CB -0.885 41.285 42.059 0.186 0.000 0.889 1138 L HN -0.059 nan 8.230 nan 0.000 0.432 1139 F N -0.145 119.720 119.950 -0.142 0.000 2.134 1139 F HA -0.177 4.348 4.527 -0.003 0.000 0.299 1139 F C 2.594 178.390 175.800 -0.006 0.000 1.097 1139 F CA 1.520 59.522 58.000 0.002 0.000 1.264 1139 F CB -1.826 37.238 39.000 0.108 0.000 1.001 1139 F HN 0.098 nan 8.300 nan 0.000 0.479 1140 T N 0.703 115.272 114.554 0.025 0.000 2.635 1140 T HA -0.203 4.146 4.350 -0.003 0.000 0.267 1140 T C 1.865 176.570 174.700 0.007 0.000 1.040 1140 T CA 1.602 63.667 62.100 -0.057 0.000 1.156 1140 T CB -0.497 68.255 68.868 -0.192 0.000 0.863 1140 T HN -0.026 nan 8.240 nan 0.000 0.430 1141 F N 0.955 120.780 119.950 -0.207 0.000 2.046 1141 F HA -0.031 4.494 4.527 -0.003 0.000 0.297 1141 F C 2.261 177.921 175.800 -0.233 0.000 1.123 1141 F CA 0.156 57.921 58.000 -0.393 0.000 1.199 1141 F CB -1.615 36.718 39.000 -1.112 0.000 0.972 1141 F HN 0.040 nan 8.300 nan 0.000 0.474 1142 L N 0.418 121.641 121.223 0.001 0.000 1.997 1142 L HA -0.314 4.024 4.340 -0.003 0.000 0.227 1142 L C 2.620 179.615 176.870 0.209 0.000 1.087 1142 L CA 2.280 57.203 54.840 0.140 0.000 0.797 1142 L CB -1.737 40.306 42.059 -0.027 0.000 0.902 1142 L HN 0.187 nan 8.230 nan 0.000 0.441 1143 A N -1.074 121.909 122.820 0.272 0.000 1.851 1143 A HA -0.298 4.020 4.320 -0.003 0.000 0.216 1143 A C 2.273 179.897 177.584 0.068 0.000 1.195 1143 A CA 1.955 54.084 52.037 0.152 0.000 0.622 1143 A CB -0.814 18.203 19.000 0.029 0.000 0.831 1143 A HN 0.504 nan 8.150 nan 0.000 0.444 1144 E N 0.210 120.424 120.200 0.023 0.000 2.147 1144 E HA -0.273 4.076 4.350 -0.003 0.000 0.199 1144 E C 1.910 178.567 176.600 0.094 0.000 1.005 1144 E CA 1.956 58.330 56.400 -0.043 0.000 0.810 1144 E CB -0.287 29.221 29.700 -0.320 0.000 0.736 1144 E HN 0.795 nan 8.360 nan 0.000 0.460 1145 E N -0.720 119.618 120.200 0.231 0.000 2.274 1145 E HA -0.120 4.229 4.350 -0.003 0.000 0.194 1145 E C 1.832 178.524 176.600 0.153 0.000 0.996 1145 E CA 0.998 57.571 56.400 0.289 0.000 0.840 1145 E CB 0.043 29.987 29.700 0.405 0.000 0.772 1145 E HN 0.208 nan 8.360 nan 0.000 0.491 1146 V N 1.449 121.429 119.914 0.109 0.000 2.270 1146 V HA -0.229 3.889 4.120 -0.003 0.000 0.245 1146 V C 2.406 178.523 176.094 0.039 0.000 1.043 1146 V CA 2.251 64.580 62.300 0.048 0.000 1.014 1146 V CB -0.475 31.358 31.823 0.016 0.000 0.645 1146 V HN 0.311 nan 8.190 nan 0.000 0.447 1147 R N -0.108 120.412 120.500 0.034 0.000 2.127 1147 R HA -0.185 4.153 4.340 -0.003 0.000 0.238 1147 R C 2.202 178.533 176.300 0.052 0.000 1.134 1147 R CA 1.600 57.717 56.100 0.029 0.000 0.975 1147 R CB -0.364 29.941 30.300 0.009 0.000 0.865 1147 R HN 0.580 nan 8.270 nan 0.000 0.447 1148 E N 0.770 121.015 120.200 0.075 0.000 2.077 1148 E HA -0.169 4.179 4.350 -0.003 0.000 0.193 1148 E C 1.981 178.625 176.600 0.072 0.000 0.989 1148 E CA 1.055 57.507 56.400 0.085 0.000 0.800 1148 E CB -0.049 29.730 29.700 0.132 0.000 0.746 1148 E HN 0.327 nan 8.360 nan 0.000 0.452 1149 I N 0.734 121.345 120.570 0.068 0.000 2.252 1149 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 1149 I C 2.218 178.381 176.117 0.077 0.000 1.102 1149 I CA 0.791 62.128 61.300 0.061 0.000 1.385 1149 I CB -0.042 37.984 38.000 0.044 0.000 1.064 1149 I HN 0.098 nan 8.210 nan 0.000 0.414 1150 L N 0.283 121.553 121.223 0.077 0.000 2.083 1150 L HA -0.219 4.120 4.340 -0.003 0.000 0.209 1150 L C 2.781 179.747 176.870 0.159 0.000 1.083 1150 L CA 1.334 56.249 54.840 0.126 0.000 0.752 1150 L CB -0.776 41.347 42.059 0.107 0.000 0.899 1150 L HN 0.243 nan 8.230 nan 0.000 0.433 1151 A N 0.280 123.159 122.820 0.098 0.000 1.972 1151 A HA -0.134 4.185 4.320 -0.003 0.000 0.219 1151 A C 2.380 180.003 177.584 0.066 0.000 1.169 1151 A CA 1.713 53.792 52.037 0.071 0.000 0.635 1151 A CB -1.151 17.879 19.000 0.049 0.000 0.810 1151 A HN 0.456 nan 8.150 nan 0.000 0.446 1152 G N -0.761 108.084 108.800 0.074 0.000 2.448 1152 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.218 1152 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.218 1152 G C 1.369 176.319 174.900 0.083 0.000 1.135 1152 G CA 0.754 45.892 45.100 0.062 0.000 0.784 1152 G HN 0.442 nan 8.290 nan 0.000 0.543 1153 L N -0.178 121.135 121.223 0.151 0.000 2.509 1153 L HA 0.240 4.579 4.340 -0.003 0.000 0.222 1153 L C 2.075 179.020 176.870 0.124 0.000 1.123 1153 L CA 0.582 55.568 54.840 0.244 0.000 0.856 1153 L CB 0.175 42.483 42.059 0.415 0.000 0.985 1153 L HN 0.389 nan 8.230 nan 0.000 0.456 1154 G N -0.415 108.386 108.800 0.000 0.000 2.175 1154 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.244 1154 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.244 1154 G C 0.023 174.653 174.900 -0.450 0.000 0.982 1154 G CA -0.384 44.568 45.100 -0.247 0.000 0.641 1154 G HN 0.149 nan 8.290 nan 0.000 0.527 1155 F N -0.543 119.414 119.950 0.013 0.000 2.432 1155 F HA 0.754 5.279 4.527 -0.003 0.000 0.329 1155 F C 1.288 177.092 175.800 0.006 0.000 1.076 1155 F CA -1.258 56.748 58.000 0.011 0.000 1.018 1155 F CB 1.467 40.475 39.000 0.013 0.000 1.201 1155 F HN -0.092 nan 8.300 nan 0.000 0.489 1156 R N 0.577 121.178 120.500 0.169 0.000 2.546 1156 R HA 0.336 4.675 4.340 -0.003 0.000 0.320 1156 R C -0.786 175.565 176.300 0.086 0.000 1.021 1156 R CA 0.087 56.240 56.100 0.088 0.000 1.088 1156 R CB 0.263 30.588 30.300 0.042 0.000 1.278 1156 R HN 0.759 nan 8.270 nan 0.000 0.557 1157 S N -2.060 113.713 115.700 0.122 0.000 2.633 1157 S HA 0.062 4.530 4.470 -0.003 0.000 0.271 1157 S C -0.318 174.309 174.600 0.044 0.000 1.112 1157 S CA -0.887 57.353 58.200 0.066 0.000 0.828 1157 S CB 0.616 63.847 63.200 0.051 0.000 1.086 1157 S HN 0.020 nan 8.310 nan 0.000 0.461 1158 L N 2.447 123.676 121.223 0.010 0.000 2.095 1158 L HA 0.215 4.553 4.340 -0.003 0.000 0.204 1158 L C 2.399 179.265 176.870 -0.007 0.000 1.080 1158 L CA 1.742 56.578 54.840 -0.008 0.000 0.759 1158 L CB -0.998 41.062 42.059 0.002 0.000 0.914 1158 L HN 0.884 nan 8.230 nan 0.000 0.439 1159 N N 0.409 119.115 118.700 0.011 0.000 2.061 1159 N HA -0.241 4.497 4.740 -0.003 0.000 0.193 1159 N C 1.379 176.895 175.510 0.009 0.000 1.030 1159 N CA 1.636 54.693 53.050 0.012 0.000 0.856 1159 N CB -0.034 38.467 38.487 0.023 0.000 1.023 1159 N HN 0.512 nan 8.380 nan 0.000 0.424 1160 E N -0.253 119.968 120.200 0.035 0.000 2.501 1160 E HA -0.092 4.257 4.350 -0.003 0.000 0.203 1160 E C 0.823 177.375 176.600 -0.079 0.000 1.072 1160 E CA 0.169 56.608 56.400 0.064 0.000 0.885 1160 E CB 0.265 30.100 29.700 0.225 0.000 0.813 1160 E HN 0.149 nan 8.360 nan 0.000 0.556 1161 V N 0.604 120.426 119.914 -0.153 0.000 3.392 1161 V HA 0.107 4.225 4.120 -0.003 0.000 0.294 1161 V C 0.363 176.365 176.094 -0.153 0.000 1.561 1161 V CA -0.235 61.890 62.300 -0.291 0.000 1.056 1161 V CB 0.503 32.056 31.823 -0.451 0.000 0.882 1161 V HN 0.137 nan 8.190 nan 0.000 0.440 1162 I N 1.221 121.742 120.570 -0.082 0.000 2.813 1162 I HA 0.232 4.400 4.170 -0.003 0.000 0.287 1162 I C 1.789 177.862 176.117 -0.074 0.000 1.196 1162 I CA 1.624 62.880 61.300 -0.073 0.000 1.421 1162 I CB 0.423 38.391 38.000 -0.054 0.000 1.365 1162 I HN 0.426 nan 8.210 nan 0.000 0.591 1163 G N 4.974 113.694 108.800 -0.133 0.000 2.382 1163 G HA2 -0.336 3.623 3.960 -0.003 0.000 0.259 1163 G HA3 -0.336 3.623 3.960 -0.003 0.000 0.259 1163 G C 0.906 175.812 174.900 0.011 0.000 1.009 1163 G CA -0.116 44.960 45.100 -0.040 0.000 0.625 1163 G HN 0.617 nan 8.290 nan 0.000 0.541 1164 R N 1.960 122.437 120.500 -0.039 0.000 4.432 1164 R HA 0.090 4.428 4.340 -0.003 0.000 0.165 1164 R C 2.162 178.432 176.300 -0.049 0.000 1.929 1164 R CA 1.078 57.151 56.100 -0.045 0.000 1.469 1164 R CB -1.006 29.227 30.300 -0.111 0.000 1.368 1164 R HN 0.732 nan 8.270 nan 0.000 0.811 1165 T N -2.550 111.992 114.554 -0.020 0.000 3.025 1165 T HA -0.143 4.205 4.350 -0.003 0.000 0.270 1165 T C 1.300 175.948 174.700 -0.086 0.000 1.126 1165 T CA 1.187 63.261 62.100 -0.043 0.000 1.105 1165 T CB -0.054 68.806 68.868 -0.014 0.000 0.884 1165 T HN 0.468 nan 8.240 nan 0.000 0.522 1166 D N 1.790 122.155 120.400 -0.059 0.000 2.311 1166 D HA -0.129 4.510 4.640 -0.003 0.000 0.212 1166 D C 1.726 177.946 176.300 -0.132 0.000 0.972 1166 D CA 0.657 54.611 54.000 -0.077 0.000 0.887 1166 D CB -0.419 40.382 40.800 0.001 0.000 0.915 1166 D HN 0.456 nan 8.370 nan 0.000 0.497 1167 L N -0.057 121.112 121.223 -0.091 0.000 2.610 1167 L HA 0.159 4.498 4.340 -0.003 0.000 0.232 1167 L C 0.708 177.508 176.870 -0.116 0.000 1.149 1167 L CA 0.175 54.992 54.840 -0.039 0.000 0.872 1167 L CB -0.133 41.912 42.059 -0.022 0.000 0.992 1167 L HN -0.022 nan 8.230 nan 0.000 0.447 1168 L N -0.982 120.044 121.223 -0.327 0.000 2.365 1168 L HA 0.478 4.816 4.340 -0.003 0.000 0.273 1168 L C -1.083 175.497 176.870 -0.483 0.000 1.000 1168 L CA -0.722 53.977 54.840 -0.235 0.000 0.819 1168 L CB 1.763 43.754 42.059 -0.113 0.000 1.284 1168 L HN 0.042 nan 8.230 nan 0.000 0.418 1169 H N 0.495 119.570 119.070 0.008 0.000 2.679 1169 H HA 0.279 4.834 4.556 -0.003 0.000 0.360 1169 H C -0.813 174.514 175.328 -0.002 0.000 1.105 1169 H CA -0.721 55.330 56.048 0.006 0.000 1.196 1169 H CB 1.886 31.653 29.762 0.008 0.000 1.636 1169 H HN 0.467 nan 8.280 nan 0.000 0.531 1170 Q N 2.911 122.768 119.800 0.094 0.000 2.314 1170 Q HA 0.289 4.628 4.340 -0.003 0.000 0.257 1170 Q C -0.681 175.348 176.000 0.049 0.000 0.975 1170 Q CA -0.436 55.395 55.803 0.047 0.000 0.933 1170 Q CB 0.990 29.738 28.738 0.017 0.000 1.195 1170 Q HN 0.581 nan 8.270 nan 0.000 0.426 1171 V N 2.280 122.214 119.914 0.034 0.000 2.795 1171 V HA 0.050 4.168 4.120 -0.003 0.000 0.243 1171 V C 0.468 176.565 176.094 0.005 0.000 1.069 1171 V CA 0.399 62.710 62.300 0.018 0.000 1.089 1171 V CB 0.658 32.487 31.823 0.011 0.000 0.756 1171 V HN 0.678 nan 8.190 nan 0.000 0.471 1172 S N 2.224 117.922 115.700 -0.003 0.000 2.537 1172 S HA 0.512 4.981 4.470 -0.003 0.000 0.275 1172 S C -0.096 174.501 174.600 -0.006 0.000 1.272 1172 S CA -0.615 57.581 58.200 -0.008 0.000 1.050 1172 S CB 0.735 63.925 63.200 -0.017 0.000 0.961 1172 S HN 0.371 nan 8.310 nan 0.000 0.496 1173 R N 1.394 121.893 120.500 -0.002 0.000 2.460 1173 R HA 0.624 4.962 4.340 -0.003 0.000 0.303 1173 R C 0.232 176.533 176.300 0.003 0.000 0.968 1173 R CA -0.780 55.322 56.100 0.003 0.000 0.889 1173 R CB 1.111 31.414 30.300 0.005 0.000 1.123 1173 R HN 0.829 nan 8.270 nan 0.000 0.455 1174 G N 0.140 108.945 108.800 0.008 0.000 5.102 1174 G HA2 0.486 4.445 3.960 -0.003 0.000 0.212 1174 G HA3 0.486 4.445 3.960 -0.003 0.000 0.212 1174 G C -0.778 174.133 174.900 0.017 0.000 0.832 1174 G CA 0.207 45.310 45.100 0.006 0.000 0.718 1174 G HN 0.750 nan 8.290 nan 0.000 0.506 1175 A N -0.425 122.413 122.820 0.031 0.000 2.609 1175 A HA 0.765 5.084 4.320 -0.003 0.000 0.291 1175 A C 0.452 178.073 177.584 0.061 0.000 1.096 1175 A CA -0.445 51.621 52.037 0.048 0.000 0.684 1175 A CB 1.012 20.050 19.000 0.064 0.000 1.282 1175 A HN 0.019 nan 8.150 nan 0.000 0.412 1176 E N -0.080 120.167 120.200 0.079 0.000 2.106 1176 E HA -0.015 4.333 4.350 -0.003 0.000 0.192 1176 E C 0.270 176.955 176.600 0.141 0.000 0.984 1176 E CA 1.473 57.928 56.400 0.093 0.000 0.806 1176 E CB -0.070 29.685 29.700 0.092 0.000 0.750 1176 E HN 0.646 nan 8.360 nan 0.000 0.458 1177 H N -0.950 118.136 119.070 0.026 0.000 2.533 1177 H HA 0.329 4.883 4.556 -0.003 0.000 0.343 1177 H C -0.657 174.683 175.328 0.020 0.000 1.160 1177 H CA -0.738 55.325 56.048 0.025 0.000 1.218 1177 H CB 0.798 30.578 29.762 0.030 0.000 1.566 1177 H HN -0.079 nan 8.280 nan 0.000 0.522 1178 L N 4.048 125.213 121.223 -0.097 0.000 2.505 1178 L HA 0.110 4.448 4.340 -0.003 0.000 0.279 1178 L C -0.572 176.299 176.870 0.003 0.000 1.211 1178 L CA 0.404 55.210 54.840 -0.056 0.000 1.059 1178 L CB -0.428 41.566 42.059 -0.107 0.000 1.340 1178 L HN 0.573 nan 8.230 nan 0.000 0.447 1179 D N 1.752 122.187 120.400 0.057 0.000 2.375 1179 D HA 0.348 4.986 4.640 -0.003 0.000 0.259 1179 D C -0.803 175.525 176.300 0.046 0.000 1.235 1179 D CA -0.386 53.656 54.000 0.071 0.000 0.924 1179 D CB 1.339 42.202 40.800 0.106 0.000 1.143 1179 D HN 0.243 nan 8.370 nan 0.000 0.529 1180 D N 0.305 120.722 120.400 0.028 0.000 2.414 1180 D HA 0.547 5.186 4.640 -0.003 0.000 0.241 1180 D C 0.024 176.336 176.300 0.018 0.000 1.008 1180 D CA -0.547 53.466 54.000 0.021 0.000 1.001 1180 D CB 1.662 42.469 40.800 0.012 0.000 1.277 1180 D HN 0.073 nan 8.370 nan 0.000 0.538 1181 L N 0.143 121.373 121.223 0.012 0.000 2.400 1181 L HA 0.461 4.799 4.340 -0.003 0.000 0.264 1181 L C -0.305 176.567 176.870 0.004 0.000 1.061 1181 L CA -0.661 54.183 54.840 0.008 0.000 0.799 1181 L CB 0.884 42.942 42.059 -0.001 0.000 1.240 1181 L HN 0.282 nan 8.230 nan 0.000 0.461 1182 D N 0.558 120.959 120.400 0.001 0.000 2.461 1182 D HA 0.278 4.916 4.640 -0.003 0.000 0.240 1182 D C 0.114 176.412 176.300 -0.004 0.000 1.094 1182 D CA -0.185 53.815 54.000 0.001 0.000 0.868 1182 D CB 0.902 41.704 40.800 0.003 0.000 1.062 1182 D HN 0.335 nan 8.370 nan 0.000 0.530 1183 L N 3.262 124.481 121.223 -0.006 0.000 2.629 1183 L HA 0.126 4.465 4.340 -0.003 0.000 0.230 1183 L C 1.631 178.497 176.870 -0.007 0.000 1.151 1183 L CA -0.119 54.714 54.840 -0.012 0.000 0.924 1183 L CB -0.293 41.755 42.059 -0.018 0.000 1.137 1183 L HN 0.354 nan 8.230 nan 0.000 0.457 1184 N N 1.656 120.355 118.700 -0.001 0.000 2.028 1184 N HA -0.125 4.613 4.740 -0.003 0.000 0.194 1184 N C -0.829 174.683 175.510 0.005 0.000 1.050 1184 N CA 1.596 54.648 53.050 0.002 0.000 0.848 1184 N CB -0.749 37.741 38.487 0.005 0.000 1.038 1184 N HN -0.041 nan 8.380 nan 0.000 0.423 1185 P HA -0.191 nan 4.420 nan 0.000 0.219 1185 P C 0.694 178.004 177.300 0.017 0.000 1.147 1185 P CA 1.429 64.536 63.100 0.011 0.000 0.821 1185 P CB -0.027 31.678 31.700 0.009 0.000 0.771 1186 R N -1.402 119.106 120.500 0.012 0.000 2.112 1186 R HA 0.135 4.474 4.340 -0.003 0.000 0.216 1186 R C 2.160 178.474 176.300 0.024 0.000 1.080 1186 R CA 0.844 56.956 56.100 0.020 0.000 0.996 1186 R CB -0.632 29.670 30.300 0.004 0.000 0.902 1186 R HN 0.293 nan 8.270 nan 0.000 0.449 1187 L N 0.954 122.182 121.223 0.009 0.000 2.341 1187 L HA 0.170 4.509 4.340 -0.003 0.000 0.214 1187 L C 1.193 178.070 176.870 0.011 0.000 1.115 1187 L CA -0.248 54.592 54.840 0.001 0.000 0.820 1187 L CB -0.431 41.613 42.059 -0.024 0.000 0.944 1187 L HN 0.032 nan 8.230 nan 0.000 0.452 1188 A N 1.021 123.852 122.820 0.018 0.000 2.520 1188 A HA 0.140 4.458 4.320 -0.003 0.000 0.235 1188 A C 0.112 177.716 177.584 0.033 0.000 1.065 1188 A CA 0.193 52.242 52.037 0.021 0.000 0.764 1188 A CB 0.089 19.100 19.000 0.018 0.000 1.002 1188 A HN 0.359 nan 8.150 nan 0.000 0.502 1189 Q N 1.608 121.425 119.800 0.028 0.000 2.274 1189 Q HA 0.388 4.727 4.340 -0.003 0.000 0.260 1189 Q C 0.537 176.550 176.000 0.021 0.000 0.974 1189 Q CA -0.897 54.926 55.803 0.033 0.000 0.876 1189 Q CB 1.732 30.491 28.738 0.036 0.000 1.297 1189 Q HN 0.447 nan 8.270 nan 0.000 0.446 1190 V N 0.744 120.664 119.914 0.010 0.000 2.283 1190 V HA -0.139 3.979 4.120 -0.003 0.000 0.243 1190 V C 0.210 176.315 176.094 0.018 0.000 1.039 1190 V CA 1.715 64.020 62.300 0.008 0.000 1.016 1190 V CB 0.128 31.946 31.823 -0.009 0.000 0.650 1190 V HN 0.769 nan 8.190 nan 0.000 0.449 1191 D N -0.125 120.288 120.400 0.022 0.000 2.634 1191 D HA 0.311 4.949 4.640 -0.003 0.000 0.318 1191 D C -2.478 173.840 176.300 0.029 0.000 1.226 1191 D CA -1.194 52.824 54.000 0.029 0.000 0.899 1191 D CB 0.809 41.633 40.800 0.040 0.000 1.025 1191 D HN 0.325 nan 8.370 nan 0.000 0.501 1192 P HA 0.321 nan 4.420 nan 0.000 0.269 1192 P C 0.793 178.110 177.300 0.028 0.000 1.217 1192 P CA 0.237 63.355 63.100 0.029 0.000 0.783 1192 P CB 0.715 32.431 31.700 0.025 0.000 0.898 1193 G N 0.498 109.317 108.800 0.031 0.000 2.660 1193 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.215 1193 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.215 1193 G C -0.756 174.160 174.900 0.026 0.000 1.345 1193 G CA -0.756 44.361 45.100 0.028 0.000 0.877 1193 G HN 0.580 nan 8.290 nan 0.000 0.549 1194 E N 1.394 121.605 120.200 0.019 0.000 2.373 1194 E HA 0.132 4.481 4.350 -0.003 0.000 0.267 1194 E C 0.712 177.316 176.600 0.006 0.000 1.032 1194 E CA -0.089 56.321 56.400 0.015 0.000 0.889 1194 E CB 0.492 30.197 29.700 0.008 0.000 0.984 1194 E HN 0.637 nan 8.360 nan 0.000 0.425 1195 N N 0.501 119.205 118.700 0.008 0.000 2.492 1195 N HA 0.339 5.078 4.740 -0.003 0.000 0.289 1195 N C -0.620 174.855 175.510 -0.057 0.000 1.133 1195 N CA -0.554 52.493 53.050 -0.006 0.000 0.961 1195 N CB 1.347 39.854 38.487 0.033 0.000 1.186 1195 N HN 0.273 nan 8.380 nan 0.000 0.493 1196 A N 1.431 124.172 122.820 -0.132 0.000 2.287 1196 A HA 0.503 4.821 4.320 -0.003 0.000 0.273 1196 A C 0.059 177.448 177.584 -0.325 0.000 1.091 1196 A CA -0.555 51.341 52.037 -0.235 0.000 0.817 1196 A CB 0.318 19.113 19.000 -0.342 0.000 1.069 1196 A HN 0.768 nan 8.150 nan 0.000 0.492 1197 R N -0.328 119.969 120.500 -0.338 0.000 2.480 1197 R HA 0.437 4.775 4.340 -0.003 0.000 0.306 1197 R C -1.919 174.144 176.300 -0.395 0.000 0.958 1197 R CA -0.227 55.694 56.100 -0.298 0.000 0.861 1197 R CB 1.476 31.710 30.300 -0.110 0.000 1.171 1197 R HN 0.693 nan 8.270 nan 0.000 0.445 1198 Y N 1.945 122.090 120.300 -0.257 0.000 2.326 1198 Y HA 0.197 4.745 4.550 -0.003 0.000 0.337 1198 Y C 0.725 176.530 175.900 -0.158 0.000 1.023 1198 Y CA -1.007 56.944 58.100 -0.250 0.000 1.143 1198 Y CB 0.926 39.142 38.460 -0.406 0.000 1.183 1198 Y HN 0.612 nan 8.280 nan 0.000 0.485 1199 C N 1.862 121.195 119.300 0.054 0.000 2.632 1199 C HA 0.629 5.087 4.460 -0.003 0.000 0.415 1199 C C 0.586 175.611 174.990 0.058 0.000 1.332 1199 C CA -0.698 58.346 59.018 0.043 0.000 1.874 1199 C CB -1.169 26.585 27.740 0.024 0.000 2.596 1199 C HN 0.916 nan 8.230 nan 0.000 0.590 1200 T N 2.630 117.226 114.554 0.070 0.000 2.823 1200 T HA 0.698 5.046 4.350 -0.003 0.000 0.279 1200 T C -0.610 174.116 174.700 0.042 0.000 0.998 1200 T CA -0.678 61.463 62.100 0.068 0.000 0.994 1200 T CB 1.034 69.966 68.868 0.106 0.000 0.960 1200 T HN 0.580 nan 8.240 nan 0.000 0.448 1201 L N 2.224 123.463 121.223 0.026 0.000 2.334 1201 L HA 0.488 4.827 4.340 -0.003 0.000 0.275 1201 L C 0.547 177.422 176.870 0.009 0.000 1.036 1201 L CA -0.635 54.213 54.840 0.014 0.000 0.807 1201 L CB 1.401 43.464 42.059 0.006 0.000 1.231 1201 L HN 0.781 nan 8.230 nan 0.000 0.438 1202 Q N 1.201 121.002 119.800 0.002 0.000 2.281 1202 Q HA 0.496 4.834 4.340 -0.003 0.000 0.267 1202 Q C -0.001 175.992 176.000 -0.011 0.000 1.053 1202 Q CA 0.669 56.469 55.803 -0.004 0.000 0.905 1202 Q CB 0.388 29.121 28.738 -0.008 0.000 1.195 1202 Q HN 0.849 nan 8.270 nan 0.000 0.398 1203 G N 3.526 112.318 108.800 -0.015 0.000 2.491 1203 G HA2 0.073 4.031 3.960 -0.003 0.000 0.183 1203 G HA3 0.073 4.031 3.960 -0.003 0.000 0.183 1203 G C -1.638 173.247 174.900 -0.025 0.000 1.221 1203 G CA -0.492 44.594 45.100 -0.022 0.000 0.996 1203 G HN 0.764 nan 8.290 nan 0.000 0.474 1204 R N -0.367 120.117 120.500 -0.027 0.000 2.854 1204 R HA 0.622 4.961 4.340 -0.003 0.000 0.271 1204 R C -0.631 175.657 176.300 -0.019 0.000 0.994 1204 R CA -0.864 55.219 56.100 -0.028 0.000 0.945 1204 R CB 1.186 31.463 30.300 -0.039 0.000 1.194 1204 R HN 0.432 nan 8.270 nan 0.000 0.476 1205 N N 1.594 120.285 118.700 -0.015 0.000 2.412 1205 N HA -0.058 4.680 4.740 -0.003 0.000 0.279 1205 N C -0.696 174.813 175.510 -0.001 0.000 1.287 1205 N CA 0.130 53.176 53.050 -0.007 0.000 0.948 1205 N CB 0.466 38.951 38.487 -0.004 0.000 1.255 1205 N HN 0.449 nan 8.380 nan 0.000 0.485 1206 E N 1.158 121.359 120.200 0.000 0.000 2.410 1206 E HA 0.268 4.617 4.350 -0.003 0.000 0.255 1206 E C -0.601 176.020 176.600 0.035 0.000 1.194 1206 E CA -0.045 56.358 56.400 0.006 0.000 0.955 1206 E CB 0.837 30.537 29.700 -0.000 0.000 0.988 1206 E HN 0.103 nan 8.360 nan 0.000 0.461 1207 V N 2.285 122.228 119.914 0.048 0.000 3.007 1207 V HA 0.388 4.507 4.120 -0.003 0.000 0.311 1207 V C -2.261 173.924 176.094 0.153 0.000 1.120 1207 V CA -1.737 60.639 62.300 0.127 0.000 0.980 1207 V CB 2.051 33.974 31.823 0.166 0.000 1.033 1207 V HN 0.718 nan 8.190 nan 0.000 0.429 1208 P HA 0.235 nan 4.420 nan 0.000 0.268 1208 P C -0.761 176.679 177.300 0.234 0.000 1.205 1208 P CA -0.218 63.004 63.100 0.203 0.000 0.771 1208 P CB 0.316 32.146 31.700 0.216 0.000 0.858 1209 D N 0.583 121.069 120.400 0.143 0.000 2.369 1209 D HA 0.261 4.900 4.640 -0.003 0.000 0.241 1209 D C 0.561 176.962 176.300 0.169 0.000 1.271 1209 D CA 0.508 54.578 54.000 0.117 0.000 0.942 1209 D CB 0.505 41.343 40.800 0.064 0.000 1.129 1209 D HN 0.286 nan 8.370 nan 0.000 0.476 1210 T N -0.039 114.588 114.554 0.121 0.000 2.591 1210 T HA 0.118 4.467 4.350 -0.003 0.000 0.274 1210 T C 0.987 175.705 174.700 0.030 0.000 0.945 1210 T CA -0.719 61.448 62.100 0.112 0.000 1.087 1210 T CB 0.540 69.502 68.868 0.157 0.000 1.416 1210 T HN 0.080 nan 8.240 nan 0.000 0.514 1211 L N 1.357 122.580 121.223 -0.000 0.000 2.127 1211 L HA -0.049 4.289 4.340 -0.003 0.000 0.211 1211 L C 1.506 178.301 176.870 -0.125 0.000 1.089 1211 L CA 1.984 56.763 54.840 -0.101 0.000 0.757 1211 L CB -1.246 40.737 42.059 -0.127 0.000 0.899 1211 L HN 0.558 nan 8.230 nan 0.000 0.434 1212 D N -0.510 119.859 120.400 -0.051 0.000 2.221 1212 D HA -0.159 4.479 4.640 -0.003 0.000 0.204 1212 D C 2.248 178.528 176.300 -0.033 0.000 0.982 1212 D CA 1.187 55.166 54.000 -0.036 0.000 0.857 1212 D CB -0.087 40.710 40.800 -0.005 0.000 0.934 1212 D HN 0.470 nan 8.370 nan 0.000 0.475 1213 A N 0.185 122.988 122.820 -0.029 0.000 1.940 1213 A HA -0.201 4.118 4.320 -0.003 0.000 0.219 1213 A C 2.171 179.749 177.584 -0.010 0.000 1.176 1213 A CA 1.606 53.634 52.037 -0.015 0.000 0.631 1213 A CB -0.337 18.663 19.000 -0.001 0.000 0.814 1213 A HN 0.134 nan 8.150 nan 0.000 0.446 1214 R N -0.891 119.586 120.500 -0.039 0.000 2.090 1214 R HA 0.195 4.534 4.340 -0.003 0.000 0.219 1214 R C 1.934 178.245 176.300 0.017 0.000 1.100 1214 R CA 0.806 56.898 56.100 -0.013 0.000 0.991 1214 R CB -0.300 29.954 30.300 -0.077 0.000 0.893 1214 R HN 0.471 nan 8.270 nan 0.000 0.443 1215 I N 0.525 121.041 120.570 -0.090 0.000 2.194 1215 I HA -0.317 3.851 4.170 -0.003 0.000 0.246 1215 I C 1.918 178.120 176.117 0.142 0.000 1.093 1215 I CA 1.283 62.601 61.300 0.030 0.000 1.355 1215 I CB -0.069 37.915 38.000 -0.026 0.000 1.046 1215 I HN 0.047 nan 8.210 nan 0.000 0.413 1216 V N 0.559 120.536 119.914 0.104 0.000 2.453 1216 V HA -0.210 3.908 4.120 -0.003 0.000 0.247 1216 V C 2.632 178.823 176.094 0.163 0.000 1.048 1216 V CA 1.683 64.075 62.300 0.154 0.000 1.049 1216 V CB -1.145 30.698 31.823 0.033 0.000 0.672 1216 V HN 0.482 nan 8.190 nan 0.000 0.457 1217 A N 0.178 123.062 122.820 0.107 0.000 1.902 1217 A HA -0.232 4.087 4.320 -0.003 0.000 0.217 1217 A C 1.931 179.599 177.584 0.140 0.000 1.181 1217 A CA 1.976 54.075 52.037 0.103 0.000 0.623 1217 A CB -0.583 18.463 19.000 0.076 0.000 0.818 1217 A HN 0.510 nan 8.150 nan 0.000 0.443 1218 D N -0.147 120.353 120.400 0.167 0.000 2.312 1218 D HA 0.092 4.731 4.640 -0.003 0.000 0.211 1218 D C 1.517 177.918 176.300 0.168 0.000 0.964 1218 D CA 1.093 55.197 54.000 0.174 0.000 0.877 1218 D CB -0.128 40.816 40.800 0.241 0.000 0.924 1218 D HN 0.427 nan 8.370 nan 0.000 0.515 1219 A N 0.238 123.187 122.820 0.215 0.000 2.370 1219 A HA 0.125 4.443 4.320 -0.003 0.000 0.238 1219 A C 1.859 179.583 177.584 0.233 0.000 1.289 1219 A CA -0.128 52.033 52.037 0.206 0.000 0.885 1219 A CB -0.224 18.953 19.000 0.294 0.000 0.961 1219 A HN -0.014 nan 8.150 nan 0.000 0.499 1220 R N 1.113 121.747 120.500 0.223 0.000 2.168 1220 R HA -0.197 4.142 4.340 -0.003 0.000 0.242 1220 R C -0.997 175.409 176.300 0.175 0.000 1.123 1220 R CA 2.926 59.163 56.100 0.227 0.000 0.928 1220 R CB -1.361 29.025 30.300 0.143 0.000 0.873 1220 R HN 0.375 nan 8.270 nan 0.000 0.434 1221 P HA -0.232 nan 4.420 nan 0.000 0.217 1221 P C 1.277 178.586 177.300 0.014 0.000 1.158 1221 P CA 1.177 64.310 63.100 0.056 0.000 0.887 1221 P CB -0.243 31.478 31.700 0.036 0.000 0.792 1222 L N -0.729 120.443 121.223 -0.086 0.000 1.965 1222 L HA -0.210 4.129 4.340 -0.003 0.000 0.226 1222 L C 2.194 178.910 176.870 -0.256 0.000 1.083 1222 L CA 2.072 56.743 54.840 -0.283 0.000 0.790 1222 L CB -1.856 39.765 42.059 -0.730 0.000 0.898 1222 L HN -0.110 nan 8.230 nan 0.000 0.439 1223 F N -0.292 119.768 119.950 0.183 0.000 2.604 1223 F HA -0.031 4.495 4.527 -0.002 0.000 0.298 1223 F C 2.443 178.291 175.800 0.080 0.000 1.131 1223 F CA 0.864 58.931 58.000 0.111 0.000 1.457 1223 F CB -0.484 38.535 39.000 0.031 0.000 1.095 1223 F HN 0.308 nan 8.300 nan 0.000 0.574 1224 E N -0.676 119.635 120.200 0.185 0.000 2.244 1224 E HA -0.003 4.345 4.350 -0.003 0.000 0.196 1224 E C 1.567 178.232 176.600 0.107 0.000 0.939 1224 E CA 0.426 56.910 56.400 0.141 0.000 0.884 1224 E CB 0.169 29.942 29.700 0.121 0.000 0.850 1224 E HN 0.415 nan 8.360 nan 0.000 0.481 1225 E N -0.989 119.270 120.200 0.097 0.000 2.508 1225 E HA 0.092 4.440 4.350 -0.003 0.000 0.217 1225 E C 0.740 177.394 176.600 0.091 0.000 0.896 1225 E CA 0.455 56.904 56.400 0.081 0.000 1.118 1225 E CB 1.553 31.289 29.700 0.060 0.000 1.133 1225 E HN 0.301 nan 8.360 nan 0.000 0.526 1226 G N 2.066 110.929 108.800 0.105 0.000 2.194 1226 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.236 1226 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.236 1226 G C 0.236 175.213 174.900 0.130 0.000 0.987 1226 G CA 0.287 45.449 45.100 0.105 0.000 0.635 1226 G HN 0.251 nan 8.290 nan 0.000 0.520 1227 E N 0.476 120.721 120.200 0.075 0.000 2.533 1227 E HA 0.184 4.533 4.350 -0.003 0.000 0.269 1227 E C 0.579 177.190 176.600 0.019 0.000 1.234 1227 E CA 0.967 57.390 56.400 0.038 0.000 1.086 1227 E CB 0.321 30.024 29.700 0.006 0.000 1.016 1227 E HN 0.518 nan 8.360 nan 0.000 0.479 1228 K N 0.673 120.983 120.400 -0.149 0.000 2.221 1228 K HA 0.475 4.793 4.320 -0.003 0.000 0.243 1228 K C -0.801 175.717 176.600 -0.136 0.000 0.968 1228 K CA -0.484 55.601 56.287 -0.336 0.000 0.846 1228 K CB 0.997 33.185 32.500 -0.520 0.000 1.141 1228 K HN 0.324 nan 8.250 nan 0.000 0.434 1229 M N 2.005 121.550 119.600 -0.091 0.000 2.520 1229 M HA 0.227 4.706 4.480 -0.003 0.000 0.283 1229 M C -1.495 174.793 176.300 -0.020 0.000 1.237 1229 M CA -0.769 54.510 55.300 -0.035 0.000 0.885 1229 M CB 2.334 34.935 32.600 0.002 0.000 1.727 1229 M HN 0.647 nan 8.290 nan 0.000 0.468 1230 Q N 2.737 122.528 119.800 -0.015 0.000 2.292 1230 Q HA 0.700 5.039 4.340 -0.003 0.000 0.270 1230 Q C -2.158 173.831 176.000 -0.018 0.000 1.024 1230 Q CA -0.282 55.515 55.803 -0.009 0.000 0.768 1230 Q CB 2.369 31.093 28.738 -0.023 0.000 1.250 1230 Q HN 0.783 nan 8.270 nan 0.000 0.447 1231 L N 1.310 122.529 121.223 -0.005 0.000 2.333 1231 L HA 0.939 5.277 4.340 -0.003 0.000 0.263 1231 L C -0.656 176.123 176.870 -0.151 0.000 1.014 1231 L CA -1.039 53.745 54.840 -0.095 0.000 0.820 1231 L CB 2.192 44.273 42.059 0.038 0.000 1.352 1231 L HN 0.686 nan 8.230 nan 0.000 0.421 1232 A N 1.383 123.952 122.820 -0.418 0.000 2.449 1232 A HA 0.894 5.212 4.320 -0.003 0.000 0.302 1232 A C -1.900 175.298 177.584 -0.643 0.000 1.048 1232 A CA -0.322 51.522 52.037 -0.322 0.000 0.708 1232 A CB 1.558 20.453 19.000 -0.176 0.000 1.274 1232 A HN 0.575 nan 8.150 nan 0.000 0.410 1233 Y N 0.006 120.325 120.300 0.032 0.000 2.641 1233 Y HA 0.355 4.904 4.550 -0.003 0.000 0.333 1233 Y C 0.038 175.957 175.900 0.031 0.000 1.174 1233 Y CA -0.922 57.198 58.100 0.034 0.000 1.057 1233 Y CB 1.507 39.991 38.460 0.042 0.000 1.322 1233 Y HN 0.813 nan 8.280 nan 0.000 0.457 1234 N N 0.473 119.292 118.700 0.198 0.000 2.495 1234 N HA 0.844 5.583 4.740 -0.003 0.000 0.294 1234 N C -1.247 174.331 175.510 0.113 0.000 1.276 1234 N CA -0.284 52.836 53.050 0.117 0.000 0.973 1234 N CB 0.965 39.502 38.487 0.084 0.000 1.143 1234 N HN 0.757 nan 8.380 nan 0.000 0.589 1235 A N -0.447 122.416 122.820 0.072 0.000 2.555 1235 A HA 0.625 4.944 4.320 -0.003 0.000 0.297 1235 A C -1.050 176.551 177.584 0.029 0.000 1.060 1235 A CA -0.640 51.430 52.037 0.054 0.000 0.710 1235 A CB 1.073 20.108 19.000 0.058 0.000 1.282 1235 A HN 0.553 nan 8.150 nan 0.000 0.399 1236 R N 0.417 120.923 120.500 0.009 0.000 2.892 1236 R HA 0.338 4.676 4.340 -0.003 0.000 0.265 1236 R C 0.929 177.197 176.300 -0.053 0.000 1.025 1236 R CA -0.308 55.779 56.100 -0.022 0.000 0.982 1236 R CB 1.267 31.548 30.300 -0.032 0.000 1.185 1236 R HN 0.947 nan 8.270 nan 0.000 0.484 1237 N N -1.096 117.553 118.700 -0.085 0.000 2.585 1237 N HA -0.144 4.594 4.740 -0.003 0.000 0.188 1237 N C 0.944 176.359 175.510 -0.158 0.000 1.102 1237 N CA 1.355 54.355 53.050 -0.084 0.000 0.920 1237 N CB 0.172 38.608 38.487 -0.086 0.000 0.963 1237 N HN 0.379 nan 8.380 nan 0.000 0.447 1238 T N -0.988 113.391 114.554 -0.292 0.000 3.086 1238 T HA 0.094 4.443 4.350 -0.003 0.000 0.250 1238 T C -0.158 174.440 174.700 -0.171 0.000 1.074 1238 T CA -0.128 61.649 62.100 -0.539 0.000 0.988 1238 T CB -0.070 68.371 68.868 -0.712 0.000 0.988 1238 T HN 0.345 nan 8.240 nan 0.000 0.530 1239 Q N 2.003 121.772 119.800 -0.050 0.000 2.303 1239 Q HA 0.475 4.813 4.340 -0.003 0.000 0.257 1239 Q C -0.396 175.638 176.000 0.056 0.000 0.941 1239 Q CA -0.339 55.473 55.803 0.015 0.000 0.931 1239 Q CB 1.721 30.474 28.738 0.024 0.000 1.215 1239 Q HN 0.293 nan 8.270 nan 0.000 0.437 1240 R N 0.996 121.548 120.500 0.087 0.000 2.782 1240 R HA 0.627 4.965 4.340 -0.003 0.000 0.258 1240 R C 0.286 176.715 176.300 0.215 0.000 1.055 1240 R CA -0.348 55.829 56.100 0.127 0.000 1.065 1240 R CB 0.967 31.303 30.300 0.060 0.000 1.172 1240 R HN 0.799 nan 8.270 nan 0.000 0.510 1241 A N 0.844 123.780 122.820 0.193 0.000 2.750 1241 A HA -0.199 4.120 4.320 -0.003 0.000 0.298 1241 A C 0.425 178.072 177.584 0.106 0.000 1.500 1241 A CA 0.598 52.729 52.037 0.157 0.000 0.891 1241 A CB -1.940 17.172 19.000 0.186 0.000 0.972 1241 A HN 0.591 nan 8.150 nan 0.000 0.531 1242 I N -1.302 119.322 120.570 0.089 0.000 2.821 1242 I HA 0.208 4.376 4.170 -0.003 0.000 0.294 1242 I C 1.758 177.910 176.117 0.057 0.000 1.210 1242 I CA 1.529 62.865 61.300 0.061 0.000 1.430 1242 I CB -0.225 37.805 38.000 0.050 0.000 1.356 1242 I HN 1.055 nan 8.210 nan 0.000 0.563 1243 G N 4.099 112.930 108.800 0.051 0.000 2.399 1243 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.216 1243 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.216 1243 G C 0.925 175.866 174.900 0.068 0.000 1.096 1243 G CA 0.341 45.480 45.100 0.065 0.000 0.650 1243 G HN 0.514 nan 8.290 nan 0.000 0.512 1244 T N 0.967 115.562 114.554 0.068 0.000 2.620 1244 T HA -0.242 4.107 4.350 -0.003 0.000 0.267 1244 T C 2.181 176.907 174.700 0.044 0.000 1.044 1244 T CA 2.412 64.563 62.100 0.085 0.000 1.161 1244 T CB -0.218 68.712 68.868 0.102 0.000 0.862 1244 T HN 0.509 nan 8.240 nan 0.000 0.438 1245 R N 0.832 121.337 120.500 0.008 0.000 2.091 1245 R HA 0.054 4.392 4.340 -0.003 0.000 0.238 1245 R C 2.337 178.642 176.300 0.009 0.000 1.136 1245 R CA 1.202 57.290 56.100 -0.020 0.000 0.959 1245 R CB -1.021 29.251 30.300 -0.047 0.000 0.856 1245 R HN 0.437 nan 8.270 nan 0.000 0.437 1246 L N -0.363 120.890 121.223 0.051 0.000 1.978 1246 L HA -0.315 4.023 4.340 -0.003 0.000 0.218 1246 L C 2.307 179.251 176.870 0.123 0.000 1.075 1246 L CA 2.202 57.111 54.840 0.114 0.000 0.767 1246 L CB -0.707 41.436 42.059 0.139 0.000 0.890 1246 L HN 0.378 nan 8.230 nan 0.000 0.434 1247 S N -1.201 114.558 115.700 0.099 0.000 2.372 1247 S HA -0.290 4.179 4.470 -0.003 0.000 0.227 1247 S C 2.242 176.874 174.600 0.054 0.000 1.044 1247 S CA 1.960 60.214 58.200 0.090 0.000 1.050 1247 S CB -0.361 62.894 63.200 0.090 0.000 0.901 1247 S HN 0.605 nan 8.310 nan 0.000 0.447 1248 S N 0.383 116.091 115.700 0.014 0.000 2.365 1248 S HA -0.108 4.361 4.470 -0.003 0.000 0.225 1248 S C 2.014 176.588 174.600 -0.044 0.000 1.039 1248 S CA 1.663 59.840 58.200 -0.038 0.000 1.033 1248 S CB -0.404 62.751 63.200 -0.075 0.000 0.887 1248 S HN 0.537 nan 8.310 nan 0.000 0.447 1249 M N 0.495 120.069 119.600 -0.043 0.000 2.229 1249 M HA -0.038 4.440 4.480 -0.003 0.000 0.264 1249 M C 2.155 178.480 176.300 0.041 0.000 1.063 1249 M CA 1.014 56.251 55.300 -0.105 0.000 1.114 1249 M CB -0.946 31.510 32.600 -0.239 0.000 1.387 1249 M HN 0.262 nan 8.290 nan 0.000 0.420 1250 V N -0.181 119.849 119.914 0.193 0.000 2.407 1250 V HA -0.158 3.960 4.120 -0.003 0.000 0.245 1250 V C 2.317 178.518 176.094 0.178 0.000 1.041 1250 V CA 1.781 64.281 62.300 0.333 0.000 1.040 1250 V CB -0.819 31.218 31.823 0.356 0.000 0.671 1250 V HN 0.427 nan 8.190 nan 0.000 0.455 1251 T N -0.309 114.295 114.554 0.084 0.000 2.849 1251 T HA -0.222 4.126 4.350 -0.003 0.000 0.270 1251 T C 2.025 176.721 174.700 -0.007 0.000 1.066 1251 T CA 1.477 63.592 62.100 0.025 0.000 1.130 1251 T CB -0.226 68.629 68.868 -0.021 0.000 0.864 1251 T HN 0.380 nan 8.240 nan 0.000 0.481 1252 R N 0.238 120.714 120.500 -0.040 0.000 2.153 1252 R HA 0.109 4.447 4.340 -0.003 0.000 0.218 1252 R C 2.389 178.618 176.300 -0.117 0.000 1.072 1252 R CA 0.907 56.956 56.100 -0.086 0.000 0.990 1252 R CB 0.035 30.265 30.300 -0.116 0.000 0.889 1252 R HN 0.237 nan 8.270 nan 0.000 0.452 1253 K N -1.028 119.258 120.400 -0.190 0.000 2.348 1253 K HA 0.074 4.392 4.320 -0.003 0.000 0.194 1253 K C 0.368 176.698 176.600 -0.450 0.000 1.052 1253 K CA 0.699 56.742 56.287 -0.406 0.000 1.004 1253 K CB 0.517 32.611 32.500 -0.676 0.000 0.873 1253 K HN -0.006 nan 8.250 nan 0.000 0.523 1254 F N -0.340 119.635 119.950 0.042 0.000 2.880 1254 F HA 0.397 4.923 4.527 -0.002 0.000 0.346 1254 F C 0.593 176.407 175.800 0.023 0.000 1.054 1254 F CA 0.046 58.057 58.000 0.019 0.000 1.151 1254 F CB 1.162 40.154 39.000 -0.014 0.000 1.066 1254 F HN 0.102 nan 8.300 nan 0.000 0.566 1255 G N 0.828 109.726 108.800 0.163 0.000 2.781 1255 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.683 1255 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.683 1255 G C 0.627 175.547 174.900 0.034 0.000 1.390 1255 G CA -0.213 44.945 45.100 0.096 0.000 0.850 1255 G HN 0.055 nan 8.290 nan 0.000 0.557 1256 M N -0.334 119.205 119.600 -0.103 0.000 2.144 1256 M HA -0.011 4.467 4.480 -0.003 0.000 0.260 1256 M C 1.552 177.494 176.300 -0.596 0.000 1.067 1256 M CA 2.098 57.129 55.300 -0.448 0.000 1.095 1256 M CB -0.211 31.912 32.600 -0.796 0.000 1.365 1256 M HN 0.437 nan 8.290 nan 0.000 0.406 1257 F N -1.732 118.274 119.950 0.092 0.000 2.735 1257 F HA 0.346 4.872 4.527 -0.002 0.000 0.308 1257 F C 1.708 177.538 175.800 0.050 0.000 1.112 1257 F CA -0.454 57.586 58.000 0.067 0.000 1.235 1257 F CB -0.408 38.629 39.000 0.061 0.000 1.027 1257 F HN -0.023 nan 8.300 nan 0.000 0.528 1258 G N 0.614 109.527 108.800 0.188 0.000 2.920 1258 G HA2 0.196 4.155 3.960 -0.003 0.000 0.208 1258 G HA3 0.196 4.155 3.960 -0.003 0.000 0.208 1258 G C 0.439 175.317 174.900 -0.037 0.000 1.159 1258 G CA 0.256 45.425 45.100 0.116 0.000 0.784 1258 G HN 0.174 nan 8.290 nan 0.000 0.535 1259 L N 0.603 121.785 121.223 -0.068 0.000 2.346 1259 L HA 0.361 4.699 4.340 -0.003 0.000 0.274 1259 L C -0.080 176.768 176.870 -0.037 0.000 1.007 1259 L CA -1.063 53.636 54.840 -0.235 0.000 0.818 1259 L CB 2.062 43.858 42.059 -0.438 0.000 1.284 1259 L HN 0.262 nan 8.230 nan 0.000 0.424 1260 Q N 1.927 121.733 119.800 0.010 0.000 2.314 1260 Q HA 0.356 4.695 4.340 -0.003 0.000 0.258 1260 Q C -2.473 173.594 176.000 0.110 0.000 0.954 1260 Q CA -2.038 53.817 55.803 0.086 0.000 0.890 1260 Q CB 0.073 28.864 28.738 0.089 0.000 1.210 1260 Q HN 0.252 nan 8.270 nan 0.000 0.410 1261 P HA -0.185 nan 4.420 nan 0.000 0.264 1261 P C 0.762 178.119 177.300 0.094 0.000 1.156 1261 P CA 2.165 65.329 63.100 0.107 0.000 0.756 1261 P CB 0.157 31.922 31.700 0.108 0.000 0.764 1262 G N 1.950 110.807 108.800 0.094 0.000 2.189 1262 G HA2 -0.393 3.565 3.960 -0.003 0.000 0.267 1262 G HA3 -0.393 3.565 3.960 -0.003 0.000 0.267 1262 G C 1.064 176.001 174.900 0.061 0.000 0.975 1262 G CA 0.893 46.036 45.100 0.072 0.000 0.644 1262 G HN 0.685 nan 8.290 nan 0.000 0.537 1263 H N -0.506 118.550 119.070 -0.022 0.000 2.400 1263 H HA 0.035 4.590 4.556 -0.003 0.000 0.295 1263 H C 1.050 176.346 175.328 -0.053 0.000 1.118 1263 H CA 2.035 58.047 56.048 -0.061 0.000 1.256 1263 H CB 0.127 29.816 29.762 -0.121 0.000 1.365 1263 H HN 0.381 nan 8.280 nan 0.000 0.502 1264 I N 0.856 121.491 120.570 0.108 0.000 2.500 1264 I HA 0.219 4.388 4.170 -0.003 0.000 0.286 1264 I C -0.986 175.177 176.117 0.076 0.000 1.063 1264 I CA -0.066 61.279 61.300 0.076 0.000 1.062 1264 I CB 1.665 39.717 38.000 0.087 0.000 1.223 1264 I HN -0.045 nan 8.210 nan 0.000 0.435 1265 T N 8.128 122.719 114.554 0.061 0.000 2.881 1265 T HA 0.655 5.004 4.350 -0.003 0.000 0.290 1265 T C -0.493 174.254 174.700 0.079 0.000 1.000 1265 T CA -0.281 61.859 62.100 0.067 0.000 0.978 1265 T CB 1.674 70.566 68.868 0.041 0.000 0.997 1265 T HN 0.350 nan 8.240 nan 0.000 0.443 1266 I N 3.921 124.553 120.570 0.104 0.000 2.468 1266 I HA 0.398 4.566 4.170 -0.003 0.000 0.285 1266 I C 0.108 176.296 176.117 0.119 0.000 1.039 1266 I CA -0.893 60.492 61.300 0.142 0.000 1.074 1266 I CB 1.313 39.435 38.000 0.202 0.000 1.228 1266 I HN 0.321 nan 8.210 nan 0.000 0.436 1267 R N 7.046 127.596 120.500 0.084 0.000 2.459 1267 R HA 0.722 5.061 4.340 -0.003 0.000 0.281 1267 R C -1.079 175.280 176.300 0.099 0.000 1.050 1267 R CA -0.686 55.456 56.100 0.070 0.000 1.055 1267 R CB 1.132 31.451 30.300 0.032 0.000 1.045 1267 R HN 0.504 nan 8.270 nan 0.000 0.495 1268 L N 2.220 123.498 121.223 0.092 0.000 2.439 1268 L HA 0.468 4.806 4.340 -0.003 0.000 0.270 1268 L C 0.197 177.109 176.870 0.070 0.000 0.972 1268 L CA -0.744 54.158 54.840 0.103 0.000 0.836 1268 L CB 2.140 44.265 42.059 0.110 0.000 1.255 1268 L HN 0.313 nan 8.230 nan 0.000 0.404 1269 R N 1.595 122.133 120.500 0.062 0.000 2.390 1269 R HA 0.673 5.012 4.340 -0.003 0.000 0.291 1269 R C 0.518 176.844 176.300 0.044 0.000 1.070 1269 R CA 0.906 57.032 56.100 0.044 0.000 1.014 1269 R CB 1.558 31.880 30.300 0.037 0.000 1.007 1269 R HN 0.944 nan 8.270 nan 0.000 0.466 1270 G N 1.455 110.274 108.800 0.032 0.000 2.637 1270 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.211 1270 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.211 1270 G C -0.953 173.958 174.900 0.020 0.000 1.213 1270 G CA -0.411 44.705 45.100 0.026 0.000 1.207 1270 G HN 0.571 nan 8.290 nan 0.000 0.559 1271 T N 0.840 115.404 114.554 0.017 0.000 2.971 1271 T HA 0.745 5.094 4.350 -0.003 0.000 0.304 1271 T C -0.011 174.698 174.700 0.014 0.000 1.038 1271 T CA 0.645 62.751 62.100 0.010 0.000 1.007 1271 T CB 1.507 70.373 68.868 -0.004 0.000 1.055 1271 T HN 1.715 nan 8.240 nan 0.000 0.451 1272 A N 2.235 125.067 122.820 0.020 0.000 2.310 1272 A HA 0.836 5.155 4.320 -0.003 0.000 0.299 1272 A C 0.744 178.341 177.584 0.023 0.000 1.147 1272 A CA -0.303 51.752 52.037 0.029 0.000 0.818 1272 A CB 0.481 19.504 19.000 0.038 0.000 1.096 1272 A HN 0.937 nan 8.150 nan 0.000 0.495 1273 G N 0.296 109.116 108.800 0.034 0.000 2.557 1273 G HA2 0.485 4.443 3.960 -0.003 0.000 0.302 1273 G HA3 0.485 4.443 3.960 -0.003 0.000 0.302 1273 G C -0.269 174.661 174.900 0.050 0.000 1.311 1273 G CA -0.663 44.464 45.100 0.045 0.000 1.030 1273 G HN 0.816 nan 8.290 nan 0.000 0.509 1274 Q N -0.333 119.495 119.800 0.046 0.000 2.354 1274 Q HA 0.037 4.375 4.340 -0.003 0.000 0.310 1274 Q C 0.386 176.481 176.000 0.159 0.000 1.104 1274 Q CA 1.154 57.019 55.803 0.104 0.000 0.968 1274 Q CB 0.372 29.205 28.738 0.158 0.000 1.251 1274 Q HN 0.620 nan 8.270 nan 0.000 0.411 1275 S N -0.520 115.316 115.700 0.227 0.000 3.748 1275 S HA -0.159 4.309 4.470 -0.003 0.000 0.329 1275 S C -0.051 174.597 174.600 0.081 0.000 1.104 1275 S CA 0.363 58.654 58.200 0.152 0.000 0.954 1275 S CB -1.261 62.010 63.200 0.118 0.000 0.910 1275 S HN 0.562 nan 8.310 nan 0.000 0.494 1276 L N 1.702 122.970 121.223 0.076 0.000 2.534 1276 L HA 0.521 4.859 4.340 -0.003 0.000 0.271 1276 L C 1.263 178.153 176.870 0.034 0.000 1.178 1276 L CA 1.820 56.694 54.840 0.056 0.000 0.907 1276 L CB -0.337 41.754 42.059 0.053 0.000 1.164 1276 L HN 0.818 nan 8.230 nan 0.000 0.482 1277 G N 3.319 112.140 108.800 0.035 0.000 2.166 1277 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.260 1277 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.260 1277 G C 0.570 175.452 174.900 -0.029 0.000 0.986 1277 G CA 0.393 45.507 45.100 0.024 0.000 0.683 1277 G HN 1.432 nan 8.290 nan 0.000 0.527 1278 A N -0.378 122.391 122.820 -0.085 0.000 2.546 1278 A HA 0.538 4.857 4.320 -0.003 0.000 0.243 1278 A C 1.089 178.536 177.584 -0.230 0.000 1.063 1278 A CA 1.003 52.843 52.037 -0.327 0.000 0.757 1278 A CB -0.408 18.356 19.000 -0.394 0.000 0.991 1278 A HN 1.537 nan 8.150 nan 0.000 0.503 1279 F N -1.201 118.747 119.950 -0.004 0.000 3.091 1279 F HA -0.221 4.305 4.527 -0.003 0.000 0.288 1279 F C 1.105 176.896 175.800 -0.015 0.000 0.907 1279 F CA 0.533 58.521 58.000 -0.020 0.000 1.028 1279 F CB -2.136 36.845 39.000 -0.032 0.000 1.022 1279 F HN 0.890 nan 8.300 nan 0.000 0.665 1280 A N 0.466 123.343 122.820 0.095 0.000 2.362 1280 A HA 0.632 4.951 4.320 -0.003 0.000 0.276 1280 A C 0.451 178.061 177.584 0.044 0.000 1.153 1280 A CA -0.029 52.052 52.037 0.074 0.000 0.813 1280 A CB 0.410 19.444 19.000 0.057 0.000 1.081 1280 A HN 0.879 nan 8.150 nan 0.000 0.507 1281 V N 1.287 121.212 119.914 0.018 0.000 3.295 1281 V HA 0.388 4.507 4.120 -0.003 0.000 0.308 1281 V C 0.506 176.585 176.094 -0.025 0.000 1.068 1281 V CA -0.850 61.409 62.300 -0.069 0.000 1.062 1281 V CB 0.446 32.205 31.823 -0.108 0.000 1.162 1281 V HN 0.957 nan 8.190 nan 0.000 0.456 1282 Q N 0.174 119.939 119.800 -0.060 0.000 2.364 1282 Q HA 0.442 4.780 4.340 -0.003 0.000 0.267 1282 Q C 0.990 177.020 176.000 0.051 0.000 0.999 1282 Q CA 1.005 56.844 55.803 0.060 0.000 0.886 1282 Q CB 0.615 29.463 28.738 0.183 0.000 1.243 1282 Q HN 1.548 nan 8.270 nan 0.000 0.415 1283 G N 3.307 112.151 108.800 0.073 0.000 2.316 1283 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.203 1283 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.203 1283 G C -0.044 174.908 174.900 0.087 0.000 0.999 1283 G CA -0.212 44.924 45.100 0.061 0.000 0.649 1283 G HN 0.574 nan 8.290 nan 0.000 0.489 1284 I N 1.311 121.931 120.570 0.085 0.000 2.437 1284 I HA 0.597 4.765 4.170 -0.003 0.000 0.298 1284 I C 0.082 176.256 176.117 0.094 0.000 0.984 1284 I CA -0.661 60.695 61.300 0.094 0.000 1.214 1284 I CB 1.884 39.940 38.000 0.094 0.000 1.365 1284 I HN 0.036 nan 8.210 nan 0.000 0.469 1285 K N 7.180 127.637 120.400 0.096 0.000 2.513 1285 K HA 0.561 4.880 4.320 -0.003 0.000 0.251 1285 K C -1.938 174.720 176.600 0.098 0.000 0.939 1285 K CA -0.599 55.747 56.287 0.099 0.000 0.793 1285 K CB 1.707 34.265 32.500 0.097 0.000 1.241 1285 K HN 0.537 nan 8.250 nan 0.000 0.431 1286 L N 4.259 125.541 121.223 0.099 0.000 2.319 1286 L HA 0.429 4.768 4.340 -0.003 0.000 0.281 1286 L C -0.385 176.543 176.870 0.097 0.000 1.005 1286 L CA -0.774 54.124 54.840 0.097 0.000 0.828 1286 L CB 1.723 43.837 42.059 0.091 0.000 1.227 1286 L HN 0.553 nan 8.230 nan 0.000 0.415 1287 E N 3.682 123.935 120.200 0.088 0.000 2.134 1287 E HA 0.357 4.705 4.350 -0.003 0.000 0.278 1287 E C -0.924 175.720 176.600 0.073 0.000 0.959 1287 E CA -0.655 55.793 56.400 0.079 0.000 0.783 1287 E CB 2.857 32.594 29.700 0.061 0.000 1.095 1287 E HN 0.212 nan 8.360 nan 0.000 0.399 1288 V N 4.926 124.882 119.914 0.071 0.000 2.275 1288 V HA 0.149 4.268 4.120 -0.003 0.000 0.272 1288 V C -0.273 175.850 176.094 0.049 0.000 1.028 1288 V CA -0.482 61.854 62.300 0.061 0.000 0.810 1288 V CB 0.581 32.439 31.823 0.059 0.000 1.043 1288 V HN 0.749 nan 8.190 nan 0.000 0.453 1289 M N 5.042 124.666 119.600 0.041 0.000 2.341 1289 M HA 0.515 4.994 4.480 -0.003 0.000 0.336 1289 M C 0.974 177.289 176.300 0.026 0.000 1.489 1289 M CA 1.051 56.368 55.300 0.029 0.000 1.278 1289 M CB 0.351 32.965 32.600 0.023 0.000 1.657 1289 M HN 0.836 nan 8.290 nan 0.000 0.455 1290 G N 2.412 111.225 108.800 0.022 0.000 1.924 1290 G HA2 0.098 4.057 3.960 -0.003 0.000 0.077 1290 G HA3 0.098 4.057 3.960 -0.003 0.000 0.077 1290 G C -1.169 173.738 174.900 0.013 0.000 1.448 1290 G CA 0.021 45.131 45.100 0.017 0.000 1.087 1290 G HN 0.759 nan 8.290 nan 0.000 0.304 1291 D N -0.607 119.802 120.400 0.014 0.000 2.997 1291 D HA 0.720 5.358 4.640 -0.003 0.000 0.276 1291 D C -0.503 175.801 176.300 0.007 0.000 1.141 1291 D CA 0.774 54.778 54.000 0.008 0.000 0.727 1291 D CB 0.671 41.468 40.800 -0.005 0.000 1.306 1291 D HN 1.667 nan 8.370 nan 0.000 0.439 1292 A N 0.495 123.315 122.820 0.000 0.000 2.486 1292 A HA 0.790 5.108 4.320 -0.003 0.000 0.289 1292 A C -0.698 176.870 177.584 -0.026 0.000 1.176 1292 A CA -0.811 51.224 52.037 -0.003 0.000 0.757 1292 A CB 1.413 20.421 19.000 0.013 0.000 1.337 1292 A HN 0.546 nan 8.150 nan 0.000 0.423 1293 N N -0.264 118.415 118.700 -0.034 0.000 2.776 1293 N HA 0.274 5.012 4.740 -0.003 0.000 0.319 1293 N C -1.057 174.369 175.510 -0.140 0.000 1.316 1293 N CA -0.507 52.497 53.050 -0.076 0.000 0.890 1293 N CB 0.385 38.837 38.487 -0.059 0.000 1.165 1293 N HN 0.692 nan 8.380 nan 0.000 0.596 1294 D N 0.312 120.542 120.400 -0.283 0.000 2.390 1294 D HA -0.027 4.611 4.640 -0.003 0.000 0.236 1294 D C 0.026 176.038 176.300 -0.480 0.000 1.189 1294 D CA 0.890 54.547 54.000 -0.572 0.000 0.887 1294 D CB -0.010 40.103 40.800 -1.145 0.000 1.198 1294 D HN 0.436 nan 8.370 nan 0.000 0.444 1295 Y N -2.986 117.326 120.300 0.020 0.000 4.272 1295 Y HA -0.226 4.322 4.550 -0.003 0.000 0.232 1295 Y C 0.216 176.112 175.900 -0.005 0.000 1.149 1295 Y CA -0.230 57.876 58.100 0.010 0.000 1.961 1295 Y CB -2.515 35.944 38.460 -0.002 0.000 1.611 1295 Y HN 0.098 nan 8.280 nan 0.000 0.682 1296 V N 0.209 120.183 119.914 0.099 0.000 2.694 1296 V HA 0.316 4.434 4.120 -0.003 0.000 0.306 1296 V C 1.617 177.743 176.094 0.053 0.000 1.054 1296 V CA 0.828 63.170 62.300 0.070 0.000 1.161 1296 V CB 0.802 32.664 31.823 0.066 0.000 0.916 1296 V HN 1.129 nan 8.190 nan 0.000 0.490 1297 G N 3.314 112.120 108.800 0.009 0.000 2.341 1297 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.292 1297 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.292 1297 G C 0.267 175.117 174.900 -0.084 0.000 1.021 1297 G CA 0.813 45.892 45.100 -0.035 0.000 0.905 1297 G HN 1.075 nan 8.290 nan 0.000 0.508 1298 K N -0.129 120.193 120.400 -0.130 0.000 2.451 1298 K HA 0.423 4.741 4.320 -0.003 0.000 0.280 1298 K C 1.583 177.879 176.600 -0.508 0.000 1.020 1298 K CA 0.621 56.780 56.287 -0.213 0.000 1.008 1298 K CB 0.028 32.385 32.500 -0.238 0.000 0.917 1298 K HN 1.463 nan 8.250 nan 0.000 0.478 1299 G N 3.382 111.971 108.800 -0.352 0.000 2.296 1299 G HA2 -0.292 3.667 3.960 -0.003 0.000 0.282 1299 G HA3 -0.292 3.667 3.960 -0.003 0.000 0.282 1299 G C -0.018 174.814 174.900 -0.112 0.000 1.014 1299 G CA 0.288 45.249 45.100 -0.233 0.000 0.812 1299 G HN 0.632 nan 8.290 nan 0.000 0.508 1300 L N 0.900 122.057 121.223 -0.109 0.000 2.653 1300 L HA 0.342 4.681 4.340 -0.003 0.000 0.288 1300 L C 1.091 177.981 176.870 0.033 0.000 1.243 1300 L CA 1.293 56.113 54.840 -0.033 0.000 0.906 1300 L CB 0.827 42.875 42.059 -0.018 0.000 1.154 1300 L HN 0.611 nan 8.230 nan 0.000 0.498 1301 S N 3.642 119.373 115.700 0.052 0.000 2.272 1301 S HA 0.544 5.013 4.470 -0.003 0.000 0.207 1301 S C 0.689 175.301 174.600 0.019 0.000 1.336 1301 S CA 0.062 58.294 58.200 0.054 0.000 1.259 1301 S CB -0.621 62.613 63.200 0.057 0.000 1.130 1301 S HN 1.580 nan 8.310 nan 0.000 0.444 1302 G N 0.554 109.421 108.800 0.111 0.000 2.141 1302 G HA2 -0.128 3.831 3.960 -0.003 0.000 0.242 1302 G HA3 -0.128 3.831 3.960 -0.003 0.000 0.242 1302 G C 0.518 175.491 174.900 0.122 0.000 0.982 1302 G CA -0.127 45.093 45.100 0.200 0.000 0.662 1302 G HN 1.182 nan 8.290 nan 0.000 0.527 1303 G N -1.223 107.621 108.800 0.074 0.000 2.531 1303 G HA2 0.757 4.716 3.960 -0.003 0.000 0.313 1303 G HA3 0.757 4.716 3.960 -0.003 0.000 0.313 1303 G C -0.298 174.650 174.900 0.079 0.000 1.238 1303 G CA 0.356 45.500 45.100 0.073 0.000 0.994 1303 G HN 0.782 nan 8.290 nan 0.000 0.493 1304 T N -0.144 114.463 114.554 0.088 0.000 2.861 1304 T HA 0.605 4.954 4.350 -0.003 0.000 0.287 1304 T C -0.575 174.185 174.700 0.101 0.000 1.003 1304 T CA -0.147 62.010 62.100 0.096 0.000 0.977 1304 T CB 1.584 70.536 68.868 0.140 0.000 0.996 1304 T HN 0.352 nan 8.240 nan 0.000 0.448 1305 I N 2.259 122.885 120.570 0.093 0.000 2.499 1305 I HA 0.576 4.745 4.170 -0.003 0.000 0.288 1305 I C -0.919 175.287 176.117 0.150 0.000 1.048 1305 I CA -1.047 60.314 61.300 0.102 0.000 1.062 1305 I CB 2.185 40.227 38.000 0.069 0.000 1.238 1305 I HN 0.319 nan 8.210 nan 0.000 0.426 1306 V N 6.600 126.616 119.914 0.169 0.000 2.735 1306 V HA 0.586 4.704 4.120 -0.003 0.000 0.310 1306 V C -0.626 175.552 176.094 0.141 0.000 1.061 1306 V CA -0.716 61.710 62.300 0.211 0.000 0.913 1306 V CB 2.546 34.485 31.823 0.193 0.000 1.005 1306 V HN 0.396 nan 8.190 nan 0.000 0.428 1307 V N 5.344 125.342 119.914 0.139 0.000 2.567 1307 V HA 0.620 4.739 4.120 -0.003 0.000 0.298 1307 V C -0.403 175.736 176.094 0.075 0.000 1.047 1307 V CA -0.708 61.646 62.300 0.091 0.000 0.880 1307 V CB 1.862 33.733 31.823 0.081 0.000 1.009 1307 V HN 1.039 nan 8.190 nan 0.000 0.429 1308 R N 3.946 124.474 120.500 0.047 0.000 2.808 1308 R HA 0.806 5.144 4.340 -0.003 0.000 0.272 1308 R C -3.193 173.116 176.300 0.015 0.000 0.995 1308 R CA -2.196 53.919 56.100 0.026 0.000 0.917 1308 R CB 1.782 32.085 30.300 0.006 0.000 1.217 1308 R HN 0.300 nan 8.270 nan 0.000 0.471 1309 P HA 0.024 nan 4.420 nan 0.000 0.271 1309 P C -0.570 176.732 177.300 0.003 0.000 1.233 1309 P CA -0.071 63.031 63.100 0.002 0.000 0.789 1309 P CB 0.395 32.093 31.700 -0.004 0.000 0.951 1310 T N 0.175 114.732 114.554 0.004 0.000 2.888 1310 T HA -0.011 4.338 4.350 -0.003 0.000 0.301 1310 T C 1.666 176.366 174.700 0.001 0.000 1.001 1310 T CA 0.150 62.252 62.100 0.004 0.000 1.147 1310 T CB 0.133 69.004 68.868 0.006 0.000 0.931 1310 T HN 0.497 nan 8.240 nan 0.000 0.541 1311 T N 2.438 116.992 114.554 -0.001 0.000 2.684 1311 T HA -0.255 4.094 4.350 -0.003 0.000 0.267 1311 T C 2.104 176.803 174.700 -0.001 0.000 1.032 1311 T CA 2.414 64.513 62.100 -0.003 0.000 1.155 1311 T CB -0.614 68.252 68.868 -0.004 0.000 0.857 1311 T HN 0.768 nan 8.240 nan 0.000 0.457 1312 S N 0.176 115.876 115.700 0.001 0.000 2.562 1312 S HA 0.172 4.640 4.470 -0.003 0.000 0.221 1312 S C 1.130 175.732 174.600 0.004 0.000 0.975 1312 S CA 0.500 58.702 58.200 0.003 0.000 0.918 1312 S CB -0.420 62.782 63.200 0.004 0.000 0.772 1312 S HN 0.584 nan 8.310 nan 0.000 0.531 1313 S N 3.203 118.905 115.700 0.003 0.000 2.562 1313 S HA 0.269 4.737 4.470 -0.003 0.000 0.281 1313 S C -1.419 173.183 174.600 0.004 0.000 1.333 1313 S CA -1.046 57.156 58.200 0.004 0.000 1.052 1313 S CB 0.852 64.053 63.200 0.003 0.000 0.884 1313 S HN 0.345 nan 8.310 nan 0.000 0.506 1314 P HA 0.221 nan 4.420 nan 0.000 0.261 1314 P C -0.213 177.090 177.300 0.004 0.000 1.352 1314 P CA -0.081 63.022 63.100 0.006 0.000 0.891 1314 P CB 0.026 31.731 31.700 0.009 0.000 1.383 1315 L N 0.377 121.601 121.223 0.000 0.000 2.417 1315 L HA 0.217 4.556 4.340 -0.003 0.000 0.268 1315 L C 0.996 177.857 176.870 -0.014 0.000 1.158 1315 L CA -0.349 54.488 54.840 -0.006 0.000 0.819 1315 L CB 0.491 42.544 42.059 -0.009 0.000 1.112 1315 L HN -0.101 nan 8.230 nan 0.000 0.458 1316 E N 1.351 121.537 120.200 -0.023 0.000 1.944 1316 E HA -0.023 4.325 4.350 -0.003 0.000 0.272 1316 E C 0.886 177.438 176.600 -0.080 0.000 1.195 1316 E CA -0.130 56.246 56.400 -0.040 0.000 0.926 1316 E CB 0.700 30.376 29.700 -0.040 0.000 1.051 1316 E HN 0.611 nan 8.360 nan 0.000 0.404 1317 T N 3.510 118.025 114.554 -0.066 0.000 2.731 1317 T HA -0.318 4.030 4.350 -0.003 0.000 0.259 1317 T C 1.235 175.828 174.700 -0.178 0.000 1.054 1317 T CA 2.532 64.580 62.100 -0.088 0.000 1.158 1317 T CB -0.271 68.566 68.868 -0.051 0.000 0.847 1317 T HN 0.715 nan 8.240 nan 0.000 0.470 1318 N N -0.956 117.551 118.700 -0.322 0.000 2.230 1318 N HA 0.163 4.901 4.740 -0.003 0.000 0.202 1318 N C 0.964 176.285 175.510 -0.315 0.000 1.119 1318 N CA -0.136 52.638 53.050 -0.461 0.000 0.851 1318 N CB 0.284 38.121 38.487 -1.083 0.000 0.990 1318 N HN 0.202 nan 8.380 nan 0.000 0.497 1319 K N -0.188 120.091 120.400 -0.202 0.000 2.514 1319 K HA 0.247 4.566 4.320 -0.003 0.000 0.207 1319 K C -0.773 175.770 176.600 -0.095 0.000 1.035 1319 K CA -0.302 55.904 56.287 -0.134 0.000 1.113 1319 K CB 0.292 32.739 32.500 -0.087 0.000 0.846 1319 K HN 0.147 nan 8.250 nan 0.000 0.491 1320 N N 0.241 118.876 118.700 -0.108 0.000 2.324 1320 N HA 0.162 4.901 4.740 -0.003 0.000 0.285 1320 N C -0.999 174.451 175.510 -0.101 0.000 1.076 1320 N CA -0.412 52.586 53.050 -0.087 0.000 0.864 1320 N CB 2.014 40.463 38.487 -0.063 0.000 1.632 1320 N HN -0.156 nan 8.380 nan 0.000 0.478 1321 T N 1.303 115.788 114.554 -0.115 0.000 2.908 1321 T HA 0.149 4.497 4.350 -0.003 0.000 0.325 1321 T C 1.356 176.002 174.700 -0.090 0.000 1.092 1321 T CA 0.378 62.407 62.100 -0.117 0.000 1.125 1321 T CB 0.637 69.414 68.868 -0.152 0.000 1.016 1321 T HN 0.527 nan 8.240 nan 0.000 0.550 1322 I N 0.841 121.366 120.570 -0.075 0.000 5.080 1322 I HA 0.328 4.497 4.170 -0.003 0.000 0.356 1322 I C -0.647 175.449 176.117 -0.035 0.000 1.231 1322 I CA -0.046 61.226 61.300 -0.047 0.000 1.458 1322 I CB 0.517 38.500 38.000 -0.028 0.000 1.672 1322 I HN 0.619 nan 8.210 nan 0.000 0.568 1323 I N -2.301 118.243 120.570 -0.042 0.000 2.827 1323 I HA 0.675 4.844 4.170 -0.003 0.000 0.298 1323 I C 0.498 176.588 176.117 -0.045 0.000 1.235 1323 I CA -0.812 60.471 61.300 -0.029 0.000 1.021 1323 I CB 1.417 39.421 38.000 0.005 0.000 1.259 1323 I HN -0.092 nan 8.210 nan 0.000 0.427 1324 G N 3.429 112.190 108.800 -0.064 0.000 2.711 1324 G HA2 0.188 4.146 3.960 -0.003 0.000 0.186 1324 G HA3 0.188 4.146 3.960 -0.003 0.000 0.186 1324 G C -0.178 174.678 174.900 -0.072 0.000 1.635 1324 G CA -0.205 44.837 45.100 -0.097 0.000 1.065 1324 G HN 0.724 nan 8.290 nan 0.000 0.545 1325 N N -1.419 117.201 118.700 -0.132 0.000 2.471 1325 N HA 0.406 5.145 4.740 -0.003 0.000 0.288 1325 N C 0.013 175.511 175.510 -0.020 0.000 1.220 1325 N CA -0.144 52.875 53.050 -0.052 0.000 0.893 1325 N CB 0.953 39.428 38.487 -0.021 0.000 1.256 1325 N HN 0.417 nan 8.380 nan 0.000 0.534 1326 T N -1.246 113.349 114.554 0.069 0.000 4.040 1326 T HA -0.133 4.216 4.350 -0.003 0.000 0.341 1326 T C 0.221 175.026 174.700 0.175 0.000 0.758 1326 T CA 0.390 62.553 62.100 0.105 0.000 1.893 1326 T CB -1.699 67.306 68.868 0.229 0.000 1.886 1326 T HN 0.338 nan 8.240 nan 0.000 0.833 1327 V N 0.979 120.975 119.914 0.137 0.000 2.901 1327 V HA 0.081 4.199 4.120 -0.003 0.000 0.307 1327 V C 1.812 177.954 176.094 0.080 0.000 1.084 1327 V CA 0.694 63.081 62.300 0.144 0.000 1.184 1327 V CB 0.618 32.586 31.823 0.241 0.000 0.941 1327 V HN 0.738 nan 8.190 nan 0.000 0.493 1328 L N 2.371 123.631 121.223 0.061 0.000 4.111 1328 L HA -0.235 4.103 4.340 -0.003 0.000 0.428 1328 L C 0.362 177.265 176.870 0.054 0.000 1.149 1328 L CA 0.155 54.998 54.840 0.007 0.000 0.981 1328 L CB -1.449 40.570 42.059 -0.066 0.000 1.914 1328 L HN 0.741 nan 8.230 nan 0.000 1.016 1329 Y N 1.914 122.181 120.300 -0.056 0.000 2.802 1329 Y HA 0.268 4.816 4.550 -0.003 0.000 0.333 1329 Y C 1.475 177.334 175.900 -0.069 0.000 1.244 1329 Y CA 0.729 58.798 58.100 -0.051 0.000 1.558 1329 Y CB 0.114 38.559 38.460 -0.025 0.000 1.233 1329 Y HN 0.298 nan 8.280 nan 0.000 0.547 1330 G N 4.025 112.863 108.800 0.064 0.000 2.180 1330 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.263 1330 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.263 1330 G C 0.591 175.426 174.900 -0.107 0.000 0.989 1330 G CA 0.432 45.444 45.100 -0.147 0.000 0.692 1330 G HN 1.353 nan 8.290 nan 0.000 0.526 1331 A N -0.759 122.026 122.820 -0.060 0.000 2.567 1331 A HA 0.559 4.878 4.320 -0.003 0.000 0.236 1331 A C 1.612 179.173 177.584 -0.037 0.000 1.088 1331 A CA 1.975 53.986 52.037 -0.043 0.000 0.776 1331 A CB 0.191 19.174 19.000 -0.028 0.000 1.033 1331 A HN 1.796 nan 8.150 nan 0.000 0.513 1332 T N -3.270 111.282 114.554 -0.004 0.000 3.028 1332 T HA 0.599 4.947 4.350 -0.003 0.000 0.262 1332 T C 0.150 174.939 174.700 0.149 0.000 0.916 1332 T CA 0.908 63.017 62.100 0.015 0.000 0.873 1332 T CB -0.177 68.625 68.868 -0.109 0.000 1.232 1332 T HN 2.219 nan 8.240 nan 0.000 0.529 1333 A N -0.376 122.528 122.820 0.141 0.000 2.586 1333 A HA 0.839 5.158 4.320 -0.003 0.000 0.290 1333 A C 0.203 177.872 177.584 0.142 0.000 1.086 1333 A CA -0.150 52.003 52.037 0.194 0.000 0.665 1333 A CB 0.700 19.919 19.000 0.365 0.000 1.279 1333 A HN 1.739 nan 8.150 nan 0.000 0.423 1334 G N -0.298 108.591 108.800 0.147 0.000 2.663 1334 G HA2 0.278 4.237 3.960 -0.003 0.000 0.686 1334 G HA3 0.278 4.237 3.960 -0.003 0.000 0.686 1334 G C -0.884 174.036 174.900 0.032 0.000 1.288 1334 G CA -0.098 45.061 45.100 0.099 0.000 0.836 1334 G HN 0.900 nan 8.290 nan 0.000 0.584 1335 K N -1.006 119.388 120.400 -0.010 0.000 2.221 1335 K HA 0.835 5.154 4.320 -0.003 0.000 0.243 1335 K C -0.703 175.763 176.600 -0.223 0.000 0.968 1335 K CA -0.839 55.348 56.287 -0.166 0.000 0.846 1335 K CB 1.991 34.410 32.500 -0.136 0.000 1.141 1335 K HN 0.931 nan 8.250 nan 0.000 0.434 1336 L N 2.260 123.231 121.223 -0.420 0.000 2.505 1336 L HA 0.558 4.897 4.340 -0.003 0.000 0.266 1336 L C -2.037 174.573 176.870 -0.432 0.000 0.954 1336 L CA -0.240 54.437 54.840 -0.272 0.000 0.852 1336 L CB 1.018 43.041 42.059 -0.061 0.000 1.282 1336 L HN 0.459 nan 8.230 nan 0.000 0.403 1337 F N 4.267 124.315 119.950 0.164 0.000 2.482 1337 F HA 0.824 5.349 4.527 -0.003 0.000 0.331 1337 F C 0.318 176.243 175.800 0.207 0.000 1.115 1337 F CA -0.470 57.669 58.000 0.231 0.000 0.955 1337 F CB 2.351 41.500 39.000 0.249 0.000 1.136 1337 F HN 0.634 nan 8.300 nan 0.000 0.452 1338 A N 2.347 125.421 122.820 0.423 0.000 2.815 1338 A HA 0.647 4.966 4.320 -0.003 0.000 0.318 1338 A C 0.180 177.922 177.584 0.263 0.000 1.186 1338 A CA -0.560 51.632 52.037 0.259 0.000 0.754 1338 A CB 0.181 19.253 19.000 0.121 0.000 1.151 1338 A HN 0.978 nan 8.150 nan 0.000 0.452 1339 A N 1.359 124.327 122.820 0.247 0.000 3.320 1339 A HA 0.420 4.738 4.320 -0.003 0.000 0.263 1339 A C 1.112 178.728 177.584 0.053 0.000 2.137 1339 A CA 1.399 53.526 52.037 0.151 0.000 1.600 1339 A CB -1.121 17.910 19.000 0.052 0.000 0.733 1339 A HN 2.266 nan 8.150 nan 0.000 0.589 1340 G N -0.934 107.878 108.800 0.020 0.000 2.321 1340 G HA2 0.420 4.378 3.960 -0.003 0.000 0.296 1340 G HA3 0.420 4.378 3.960 -0.003 0.000 0.296 1340 G C -1.116 173.722 174.900 -0.104 0.000 1.287 1340 G CA -0.842 44.221 45.100 -0.063 0.000 0.846 1340 G HN 0.407 nan 8.290 nan 0.000 0.508 1341 Q N -0.563 119.162 119.800 -0.126 0.000 2.212 1341 Q HA 0.685 5.023 4.340 -0.003 0.000 0.238 1341 Q C -0.085 175.829 176.000 -0.144 0.000 0.955 1341 Q CA -0.403 55.309 55.803 -0.152 0.000 0.906 1341 Q CB 1.963 30.616 28.738 -0.142 0.000 1.215 1341 Q HN 0.945 nan 8.270 nan 0.000 0.478 1342 A N 0.323 123.034 122.820 -0.181 0.000 2.386 1342 A HA 0.828 5.147 4.320 -0.003 0.000 0.308 1342 A C -0.156 177.378 177.584 -0.083 0.000 1.128 1342 A CA -0.104 51.855 52.037 -0.131 0.000 0.789 1342 A CB 1.491 20.381 19.000 -0.184 0.000 1.325 1342 A HN 0.749 nan 8.150 nan 0.000 0.437 1343 G N -0.678 108.103 108.800 -0.030 0.000 2.574 1343 G HA2 0.504 4.462 3.960 -0.003 0.000 0.248 1343 G HA3 0.504 4.462 3.960 -0.003 0.000 0.248 1343 G C -0.244 174.673 174.900 0.029 0.000 1.422 1343 G CA -0.355 44.734 45.100 -0.020 0.000 1.051 1343 G HN 0.731 nan 8.290 nan 0.000 0.560 1344 E N -0.694 119.523 120.200 0.028 0.000 2.458 1344 E HA 0.187 4.535 4.350 -0.003 0.000 0.264 1344 E C 0.612 177.256 176.600 0.073 0.000 1.097 1344 E CA 0.430 56.861 56.400 0.051 0.000 0.973 1344 E CB 0.137 29.863 29.700 0.042 0.000 0.963 1344 E HN 0.413 nan 8.360 nan 0.000 0.451 1345 R N 0.570 121.102 120.500 0.053 0.000 3.301 1345 R HA -0.248 4.091 4.340 -0.003 0.000 0.249 1345 R C -0.470 175.854 176.300 0.041 0.000 0.964 1345 R CA 0.210 56.310 56.100 -0.001 0.000 0.653 1345 R CB -1.840 28.416 30.300 -0.073 0.000 1.043 1345 R HN 0.366 nan 8.270 nan 0.000 0.454 1346 F N 0.717 120.651 119.950 -0.027 0.000 2.529 1346 F HA 0.262 4.788 4.527 -0.003 0.000 0.365 1346 F C 1.253 177.045 175.800 -0.014 0.000 1.102 1346 F CA 0.171 58.166 58.000 -0.007 0.000 1.271 1346 F CB 0.546 39.556 39.000 0.016 0.000 1.120 1346 F HN 0.338 nan 8.300 nan 0.000 0.579 1347 A N 3.820 126.130 122.820 -0.850 0.000 2.826 1347 A HA -0.220 4.099 4.320 -0.003 0.000 0.274 1347 A C 0.258 177.634 177.584 -0.346 0.000 1.443 1347 A CA 0.664 52.218 52.037 -0.805 0.000 0.833 1347 A CB -2.607 15.607 19.000 -1.311 0.000 1.023 1347 A HN 1.497 nan 8.150 nan 0.000 0.600 1348 V N 0.493 120.291 119.914 -0.192 0.000 2.673 1348 V HA 0.371 4.489 4.120 -0.003 0.000 0.303 1348 V C 1.648 177.783 176.094 0.069 0.000 1.046 1348 V CA 1.146 63.395 62.300 -0.085 0.000 1.126 1348 V CB 0.080 31.792 31.823 -0.184 0.000 0.934 1348 V HN 0.851 nan 8.190 nan 0.000 0.487 1349 R N 2.288 122.863 120.500 0.125 0.000 4.000 1349 R HA -0.203 4.135 4.340 -0.003 0.000 0.348 1349 R C 0.594 176.938 176.300 0.075 0.000 1.204 1349 R CA 0.967 57.158 56.100 0.153 0.000 0.987 1349 R CB -1.748 28.673 30.300 0.202 0.000 1.446 1349 R HN 0.962 nan 8.270 nan 0.000 0.555 1350 N N 1.122 119.823 118.700 0.002 0.000 2.301 1350 N HA -0.068 4.671 4.740 -0.003 0.000 0.267 1350 N C -0.347 175.166 175.510 0.005 0.000 1.304 1350 N CA 0.935 53.967 53.050 -0.030 0.000 0.851 1350 N CB 0.567 38.995 38.487 -0.098 0.000 1.070 1350 N HN 0.072 nan 8.380 nan 0.000 0.483 1351 S N 2.296 118.002 115.700 0.010 0.000 2.484 1351 S HA 0.457 4.926 4.470 -0.003 0.000 0.242 1351 S C 0.679 175.332 174.600 0.087 0.000 1.158 1351 S CA -0.017 58.212 58.200 0.048 0.000 1.162 1351 S CB 0.003 63.233 63.200 0.049 0.000 0.850 1351 S HN 0.849 nan 8.310 nan 0.000 0.477 1352 G N 0.606 109.444 108.800 0.064 0.000 2.363 1352 G HA2 0.148 4.106 3.960 -0.003 0.000 0.213 1352 G HA3 0.148 4.106 3.960 -0.003 0.000 0.213 1352 G C -0.087 174.857 174.900 0.074 0.000 1.028 1352 G CA -0.185 44.970 45.100 0.093 0.000 0.822 1352 G HN 0.690 nan 8.290 nan 0.000 0.536 1353 A N -0.049 122.793 122.820 0.036 0.000 2.294 1353 A HA 0.919 5.237 4.320 -0.003 0.000 0.330 1353 A C 0.186 177.779 177.584 0.014 0.000 1.133 1353 A CA -0.081 51.971 52.037 0.024 0.000 0.836 1353 A CB 1.242 20.241 19.000 -0.001 0.000 1.190 1353 A HN 0.560 nan 8.150 nan 0.000 0.492 1354 T N 1.077 115.632 114.554 0.002 0.000 2.797 1354 T HA 0.604 4.952 4.350 -0.003 0.000 0.279 1354 T C -0.438 174.216 174.700 -0.075 0.000 0.991 1354 T CA -0.295 61.809 62.100 0.007 0.000 0.979 1354 T CB 1.017 69.901 68.868 0.026 0.000 0.943 1354 T HN 0.771 nan 8.240 nan 0.000 0.444 1355 V N 1.592 121.502 119.914 -0.007 0.000 3.078 1355 V HA 0.873 4.992 4.120 -0.003 0.000 0.311 1355 V C -0.867 175.281 176.094 0.091 0.000 1.138 1355 V CA -0.967 61.326 62.300 -0.013 0.000 1.007 1355 V CB 2.228 34.178 31.823 0.211 0.000 1.045 1355 V HN 0.651 nan 8.190 nan 0.000 0.432 1356 V N 1.451 121.412 119.914 0.079 0.000 2.851 1356 V HA 0.815 4.933 4.120 -0.003 0.000 0.307 1356 V C -0.997 175.093 176.094 -0.005 0.000 1.129 1356 V CA -0.392 61.954 62.300 0.076 0.000 0.932 1356 V CB 2.110 34.037 31.823 0.173 0.000 1.024 1356 V HN 0.761 nan 8.190 nan 0.000 0.426 1357 V N 3.178 123.036 119.914 -0.094 0.000 3.077 1357 V HA 0.351 4.469 4.120 -0.003 0.000 0.299 1357 V C -0.121 175.897 176.094 -0.126 0.000 1.276 1357 V CA -0.608 61.620 62.300 -0.120 0.000 0.993 1357 V CB 2.670 34.328 31.823 -0.275 0.000 1.076 1357 V HN 0.981 nan 8.190 nan 0.000 0.434 1358 E N 2.759 122.899 120.200 -0.100 0.000 2.311 1358 E HA 0.505 4.853 4.350 -0.003 0.000 0.198 1358 E C 0.493 176.993 176.600 -0.167 0.000 1.115 1358 E CA 0.481 56.813 56.400 -0.114 0.000 1.140 1358 E CB 0.643 30.240 29.700 -0.171 0.000 1.204 1358 E HN 0.883 nan 8.360 nan 0.000 0.446 1359 G N 0.624 109.317 108.800 -0.178 0.000 2.359 1359 G HA2 0.246 4.205 3.960 -0.003 0.000 0.293 1359 G HA3 0.246 4.205 3.960 -0.003 0.000 0.293 1359 G C -1.619 173.146 174.900 -0.225 0.000 1.300 1359 G CA -0.401 44.594 45.100 -0.175 0.000 0.888 1359 G HN 0.379 nan 8.290 nan 0.000 0.541 1360 C N -0.342 118.857 119.300 -0.168 0.000 3.274 1360 C HA 0.783 5.242 4.460 -0.003 0.000 0.415 1360 C C 1.026 175.982 174.990 -0.057 0.000 1.009 1360 C CA 0.592 59.518 59.018 -0.154 0.000 1.163 1360 C CB 0.930 28.548 27.740 -0.204 0.000 1.549 1360 C HN 2.545 nan 8.230 nan 0.000 0.599 1361 G N 3.034 111.819 108.800 -0.024 0.000 2.443 1361 G HA2 0.455 4.413 3.960 -0.003 0.000 0.286 1361 G HA3 0.455 4.413 3.960 -0.003 0.000 0.286 1361 G C 0.567 175.489 174.900 0.037 0.000 1.393 1361 G CA 0.521 45.620 45.100 -0.001 0.000 1.080 1361 G HN 2.156 nan 8.290 nan 0.000 0.566 1362 S N -2.162 113.564 115.700 0.044 0.000 2.646 1362 S HA 0.179 4.648 4.470 -0.003 0.000 0.273 1362 S C 0.678 175.321 174.600 0.072 0.000 1.168 1362 S CA 0.384 58.625 58.200 0.068 0.000 1.013 1362 S CB 0.173 63.410 63.200 0.062 0.000 1.098 1362 S HN 0.757 nan 8.310 nan 0.000 0.544 1363 N N -0.045 118.689 118.700 0.057 0.000 2.701 1363 N HA -0.134 4.604 4.740 -0.003 0.000 0.250 1363 N C 0.258 175.750 175.510 -0.029 0.000 1.046 1363 N CA 0.299 53.348 53.050 -0.002 0.000 0.733 1363 N CB -1.343 37.133 38.487 -0.018 0.000 0.973 1363 N HN 0.861 nan 8.380 nan 0.000 0.541 1364 G N -1.428 107.391 108.800 0.031 0.000 2.507 1364 G HA2 0.332 4.290 3.960 -0.003 0.000 0.271 1364 G HA3 0.332 4.290 3.960 -0.003 0.000 0.271 1364 G C 0.860 175.578 174.900 -0.304 0.000 1.189 1364 G CA 0.091 45.209 45.100 0.030 0.000 0.859 1364 G HN 0.581 nan 8.290 nan 0.000 0.542 1365 C N -0.428 118.695 119.300 -0.295 0.000 4.184 1365 C HA -0.147 4.311 4.460 -0.003 0.000 0.295 1365 C C 1.149 175.931 174.990 -0.348 0.000 1.477 1365 C CA 1.083 59.852 59.018 -0.415 0.000 2.037 1365 C CB -2.474 24.861 27.740 -0.674 0.000 1.282 1365 C HN 0.923 nan 8.230 nan 0.000 0.783 1366 E N -0.729 119.310 120.200 -0.268 0.000 2.373 1366 E HA 0.295 4.644 4.350 -0.003 0.000 0.267 1366 E C 0.490 177.030 176.600 -0.099 0.000 1.032 1366 E CA -0.398 55.831 56.400 -0.284 0.000 0.889 1366 E CB 0.252 29.757 29.700 -0.325 0.000 0.984 1366 E HN 0.525 nan 8.360 nan 0.000 0.425 1367 Y N 0.557 120.810 120.300 -0.078 0.000 3.721 1367 Y HA -0.304 4.245 4.550 -0.002 0.000 0.218 1367 Y C 0.378 176.267 175.900 -0.018 0.000 1.188 1367 Y CA 0.804 58.893 58.100 -0.018 0.000 1.607 1367 Y CB -1.927 36.552 38.460 0.032 0.000 1.496 1367 Y HN 0.592 nan 8.280 nan 0.000 0.626 1368 M N -0.382 119.246 119.600 0.047 0.000 2.250 1368 M HA 0.307 4.785 4.480 -0.003 0.000 0.344 1368 M C 0.813 177.133 176.300 0.034 0.000 1.150 1368 M CA 0.698 56.006 55.300 0.013 0.000 1.147 1368 M CB 1.035 33.586 32.600 -0.081 0.000 1.498 1368 M HN 0.199 nan 8.290 nan 0.000 0.461 1369 T N 2.287 116.867 114.554 0.044 0.000 3.192 1369 T HA 0.427 4.776 4.350 -0.003 0.000 0.295 1369 T C -0.343 174.382 174.700 0.041 0.000 0.947 1369 T CA 0.087 62.215 62.100 0.047 0.000 0.916 1369 T CB 0.516 69.432 68.868 0.080 0.000 1.169 1369 T HN 0.919 nan 8.240 nan 0.000 0.540 1370 G N -0.619 108.200 108.800 0.033 0.000 2.466 1370 G HA2 0.560 4.519 3.960 -0.003 0.000 0.291 1370 G HA3 0.560 4.519 3.960 -0.003 0.000 0.291 1370 G C -0.384 174.533 174.900 0.029 0.000 1.460 1370 G CA 0.281 45.406 45.100 0.041 0.000 0.791 1370 G HN 0.621 nan 8.290 nan 0.000 0.505 1371 G N -1.386 107.436 108.800 0.036 0.000 2.712 1371 G HA2 0.421 4.380 3.960 -0.003 0.000 0.683 1371 G HA3 0.421 4.380 3.960 -0.003 0.000 0.683 1371 G C -0.368 174.550 174.900 0.031 0.000 1.320 1371 G CA 0.076 45.197 45.100 0.035 0.000 0.847 1371 G HN 1.621 nan 8.290 nan 0.000 0.553 1372 T N 0.100 114.688 114.554 0.057 0.000 2.829 1372 T HA 0.790 5.139 4.350 -0.003 0.000 0.280 1372 T C 0.271 175.043 174.700 0.120 0.000 0.999 1372 T CA 0.411 62.569 62.100 0.096 0.000 0.983 1372 T CB 1.953 70.906 68.868 0.142 0.000 0.968 1372 T HN 2.008 nan 8.240 nan 0.000 0.446 1373 A N 3.157 126.074 122.820 0.161 0.000 2.893 1373 A HA 0.644 4.962 4.320 -0.003 0.000 0.333 1373 A C 0.163 177.951 177.584 0.340 0.000 1.152 1373 A CA -0.623 51.553 52.037 0.232 0.000 0.782 1373 A CB -0.021 19.085 19.000 0.177 0.000 1.108 1373 A HN 0.696 nan 8.150 nan 0.000 0.469 1374 V N 1.116 121.238 119.914 0.347 0.000 3.441 1374 V HA 0.438 4.557 4.120 -0.003 0.000 0.300 1374 V C 0.475 176.763 176.094 0.324 0.000 1.091 1374 V CA -0.113 62.420 62.300 0.389 0.000 1.099 1374 V CB 0.688 32.693 31.823 0.303 0.000 1.138 1374 V HN 0.658 nan 8.190 nan 0.000 0.471 1375 I N 1.139 121.896 120.570 0.311 0.000 2.552 1375 I HA 0.098 4.266 4.170 -0.003 0.000 0.253 1375 I C -0.202 176.008 176.117 0.154 0.000 1.386 1375 I CA -0.308 61.098 61.300 0.178 0.000 1.057 1375 I CB 0.974 39.077 38.000 0.172 0.000 1.451 1375 I HN 0.438 nan 8.210 nan 0.000 0.483 1376 L N 4.442 125.746 121.223 0.135 0.000 4.213 1376 L HA 0.195 4.534 4.340 -0.003 0.000 0.258 1376 L C 0.914 177.868 176.870 0.141 0.000 1.447 1376 L CA 0.340 55.276 54.840 0.160 0.000 1.010 1376 L CB -1.524 40.750 42.059 0.358 0.000 1.490 1376 L HN 0.762 nan 8.230 nan 0.000 0.420 1377 G N -0.506 108.351 108.800 0.095 0.000 2.321 1377 G HA2 0.286 4.244 3.960 -0.003 0.000 0.296 1377 G HA3 0.286 4.244 3.960 -0.003 0.000 0.296 1377 G C -1.313 173.569 174.900 -0.029 0.000 1.287 1377 G CA -1.019 44.107 45.100 0.043 0.000 0.846 1377 G HN 0.130 nan 8.290 nan 0.000 0.508 1378 R N -1.251 119.203 120.500 -0.076 0.000 2.738 1378 R HA 0.581 4.919 4.340 -0.003 0.000 0.268 1378 R C -0.547 175.625 176.300 -0.213 0.000 1.062 1378 R CA 0.121 56.126 56.100 -0.158 0.000 1.158 1378 R CB 0.834 31.037 30.300 -0.161 0.000 1.046 1378 R HN 0.473 nan 8.270 nan 0.000 0.493 1379 V N 2.176 121.891 119.914 -0.332 0.000 2.841 1379 V HA 0.504 4.622 4.120 -0.003 0.000 0.310 1379 V C 0.294 176.183 176.094 -0.342 0.000 1.090 1379 V CA -0.415 61.717 62.300 -0.280 0.000 0.930 1379 V CB 2.079 33.659 31.823 -0.406 0.000 1.014 1379 V HN 0.999 nan 8.190 nan 0.000 0.425 1380 G N 2.042 110.773 108.800 -0.116 0.000 2.634 1380 G HA2 0.333 4.291 3.960 -0.003 0.000 0.255 1380 G HA3 0.333 4.291 3.960 -0.003 0.000 0.255 1380 G C -0.259 174.696 174.900 0.092 0.000 1.205 1380 G CA -0.192 44.871 45.100 -0.062 0.000 0.884 1380 G HN 0.751 nan 8.290 nan 0.000 0.549 1381 D N -0.753 119.775 120.400 0.213 0.000 2.405 1381 D HA -0.097 4.542 4.640 -0.003 0.000 0.232 1381 D C 1.242 177.648 176.300 0.176 0.000 1.240 1381 D CA 1.100 55.267 54.000 0.278 0.000 0.881 1381 D CB 0.207 41.114 40.800 0.178 0.000 1.222 1381 D HN 0.594 nan 8.370 nan 0.000 0.482 1382 N N 0.477 119.256 118.700 0.132 0.000 2.707 1382 N HA -0.269 4.469 4.740 -0.003 0.000 0.253 1382 N C -0.873 174.698 175.510 0.102 0.000 0.998 1382 N CA -0.226 52.870 53.050 0.076 0.000 0.751 1382 N CB -0.790 37.712 38.487 0.025 0.000 0.920 1382 N HN 0.275 nan 8.380 nan 0.000 0.539 1383 F N 0.764 120.704 119.950 -0.017 0.000 2.443 1383 F HA 0.377 4.902 4.527 -0.003 0.000 0.353 1383 F C 1.279 177.045 175.800 -0.057 0.000 1.101 1383 F CA 0.634 58.614 58.000 -0.033 0.000 1.226 1383 F CB 0.774 39.752 39.000 -0.037 0.000 1.140 1383 F HN 0.283 nan 8.300 nan 0.000 0.557 1384 A N 3.254 125.657 122.820 -0.695 0.000 3.021 1384 A HA -0.126 4.193 4.320 -0.003 0.000 0.257 1384 A C 0.665 178.104 177.584 -0.242 0.000 1.277 1384 A CA 0.591 52.331 52.037 -0.495 0.000 1.012 1384 A CB -2.618 16.211 19.000 -0.285 0.000 1.147 1384 A HN 2.014 nan 8.150 nan 0.000 0.861 1385 A N -0.417 122.274 122.820 -0.215 0.000 2.546 1385 A HA 0.563 4.881 4.320 -0.003 0.000 0.243 1385 A C 2.245 179.659 177.584 -0.284 0.000 1.063 1385 A CA 1.396 53.311 52.037 -0.204 0.000 0.757 1385 A CB -0.614 18.262 19.000 -0.207 0.000 0.991 1385 A HN 2.583 nan 8.150 nan 0.000 0.503 1386 G N 1.794 110.479 108.800 -0.192 0.000 2.168 1386 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.257 1386 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.257 1386 G C 0.483 175.325 174.900 -0.096 0.000 0.997 1386 G CA 0.534 45.542 45.100 -0.152 0.000 0.708 1386 G HN 1.329 nan 8.290 nan 0.000 0.520 1387 M N 1.764 121.295 119.600 -0.114 0.000 3.759 1387 M HA 0.192 4.670 4.480 -0.003 0.000 0.190 1387 M C 1.626 177.904 176.300 -0.037 0.000 1.478 1387 M CA 0.839 56.086 55.300 -0.088 0.000 1.691 1387 M CB -0.697 31.814 32.600 -0.148 0.000 1.113 1387 M HN 0.062 nan 8.290 nan 0.000 0.542 1388 T N 1.113 115.664 114.554 -0.006 0.000 3.052 1388 T HA -0.099 4.249 4.350 -0.003 0.000 0.270 1388 T C 0.740 175.441 174.700 0.001 0.000 1.181 1388 T CA 1.468 63.571 62.100 0.005 0.000 1.079 1388 T CB -0.398 68.483 68.868 0.021 0.000 0.817 1388 T HN 0.836 nan 8.240 nan 0.000 0.592 1389 G N -1.016 107.781 108.800 -0.006 0.000 3.288 1389 G HA2 0.508 4.467 3.960 -0.003 0.000 0.285 1389 G HA3 0.508 4.467 3.960 -0.003 0.000 0.285 1389 G C -0.217 174.677 174.900 -0.011 0.000 3.680 1389 G CA -0.131 44.965 45.100 -0.007 0.000 0.508 1389 G HN 0.482 nan 8.290 nan 0.000 0.300 1390 G N 0.350 109.133 108.800 -0.029 0.000 2.725 1390 G HA2 0.750 4.708 3.960 -0.003 0.000 0.098 1390 G HA3 0.750 4.708 3.960 -0.003 0.000 0.098 1390 G C -1.089 173.770 174.900 -0.068 0.000 1.188 1390 G CA 0.324 45.406 45.100 -0.029 0.000 1.237 1390 G HN 1.357 nan 8.290 nan 0.000 0.596 1391 M N -0.248 119.301 119.600 -0.086 0.000 2.484 1391 M HA 0.622 5.101 4.480 -0.003 0.000 0.292 1391 M C -2.140 174.067 176.300 -0.154 0.000 1.123 1391 M CA -0.367 54.826 55.300 -0.178 0.000 0.910 1391 M CB 1.882 34.306 32.600 -0.293 0.000 1.782 1391 M HN 1.636 nan 8.290 nan 0.000 0.512 1392 A N 2.908 125.629 122.820 -0.164 0.000 2.398 1392 A HA 0.805 5.123 4.320 -0.003 0.000 0.301 1392 A C -2.114 175.411 177.584 -0.099 0.000 1.041 1392 A CA -0.422 51.615 52.037 -0.001 0.000 0.711 1392 A CB 0.917 20.068 19.000 0.253 0.000 1.240 1392 A HN 0.759 nan 8.150 nan 0.000 0.420 1393 Y N 0.286 120.744 120.300 0.263 0.000 2.408 1393 Y HA 0.641 5.189 4.550 -0.003 0.000 0.324 1393 Y C 0.468 176.602 175.900 0.389 0.000 1.302 1393 Y CA -0.742 57.556 58.100 0.329 0.000 1.384 1393 Y CB 1.591 40.233 38.460 0.305 0.000 1.367 1393 Y HN 0.353 nan 8.280 nan 0.000 0.525 1394 V N 1.294 121.595 119.914 0.645 0.000 3.063 1394 V HA 0.003 4.121 4.120 -0.003 0.000 0.249 1394 V C -1.489 174.730 176.094 0.208 0.000 0.908 1394 V CA -0.947 61.569 62.300 0.360 0.000 0.966 1394 V CB 0.104 31.986 31.823 0.097 0.000 1.015 1394 V HN 0.663 nan 8.190 nan 0.000 0.512 1395 Y N 3.915 124.029 120.300 -0.311 0.000 2.847 1395 Y HA 0.042 4.591 4.550 -0.003 0.000 0.370 1395 Y C 0.503 176.223 175.900 -0.298 0.000 1.335 1395 Y CA 1.163 58.739 58.100 -0.872 0.000 1.693 1395 Y CB 0.281 38.230 38.460 -0.852 0.000 1.209 1395 Y HN 0.723 nan 8.280 nan 0.000 0.517 1396 D N 6.787 126.997 120.400 -0.318 0.000 2.446 1396 D HA 0.109 4.747 4.640 -0.003 0.000 0.251 1396 D C 0.160 176.349 176.300 -0.186 0.000 1.137 1396 D CA -0.361 53.593 54.000 -0.076 0.000 0.890 1396 D CB 0.500 41.432 40.800 0.220 0.000 1.071 1396 D HN 0.700 nan 8.370 nan 0.000 0.528 1397 L N 1.987 123.135 121.223 -0.124 0.000 2.622 1397 L HA 0.059 4.398 4.340 -0.003 0.000 0.233 1397 L C 0.151 176.999 176.870 -0.036 0.000 1.156 1397 L CA 0.678 55.452 54.840 -0.110 0.000 0.866 1397 L CB 0.088 42.167 42.059 0.032 0.000 0.980 1397 L HN 0.343 nan 8.230 nan 0.000 0.448 1398 D N -1.590 118.816 120.400 0.010 0.000 2.594 1398 D HA 0.037 4.676 4.640 -0.003 0.000 0.256 1398 D C -0.385 175.963 176.300 0.079 0.000 1.393 1398 D CA -0.143 53.880 54.000 0.038 0.000 0.797 1398 D CB 0.447 41.278 40.800 0.051 0.000 1.110 1398 D HN -0.024 nan 8.370 nan 0.000 0.495 1399 D N 1.333 121.805 120.400 0.120 0.000 2.803 1399 D HA -0.142 4.496 4.640 -0.003 0.000 0.233 1399 D C 0.977 177.396 176.300 0.198 0.000 1.182 1399 D CA 1.131 55.277 54.000 0.244 0.000 0.726 1399 D CB -1.388 39.516 40.800 0.173 0.000 0.987 1399 D HN 0.347 nan 8.370 nan 0.000 0.412 1400 S N -1.371 114.432 115.700 0.171 0.000 2.613 1400 S HA -0.001 4.467 4.470 -0.003 0.000 0.235 1400 S C 1.742 176.400 174.600 0.097 0.000 1.073 1400 S CA -0.073 58.213 58.200 0.143 0.000 0.899 1400 S CB 0.256 63.563 63.200 0.179 0.000 0.818 1400 S HN 0.227 nan 8.310 nan 0.000 0.484 1401 L N 3.901 125.113 121.223 -0.018 0.000 2.085 1401 L HA -0.026 4.312 4.340 -0.003 0.000 0.218 1401 L C -1.333 175.274 176.870 -0.438 0.000 1.080 1401 L CA 1.991 56.656 54.840 -0.292 0.000 0.776 1401 L CB -2.266 39.444 42.059 -0.582 0.000 0.891 1401 L HN 0.096 nan 8.230 nan 0.000 0.437 1402 P HA -0.206 nan 4.420 nan 0.000 0.218 1402 P C 1.998 179.177 177.300 -0.202 0.000 1.150 1402 P CA 1.716 64.613 63.100 -0.338 0.000 0.841 1402 P CB -0.095 31.580 31.700 -0.042 0.000 0.784 1403 L N -4.418 116.699 121.223 -0.177 0.000 2.509 1403 L HA -0.009 4.329 4.340 -0.003 0.000 0.222 1403 L C 1.663 178.232 176.870 -0.502 0.000 1.123 1403 L CA 0.763 55.415 54.840 -0.313 0.000 0.856 1403 L CB -0.381 41.427 42.059 -0.418 0.000 0.985 1403 L HN -0.005 nan 8.230 nan 0.000 0.456 1404 Y N -0.946 119.264 120.300 -0.150 0.000 2.498 1404 Y HA 0.250 4.799 4.550 -0.003 0.000 0.259 1404 Y C 1.024 176.865 175.900 -0.099 0.000 1.086 1404 Y CA -0.611 57.421 58.100 -0.114 0.000 1.287 1404 Y CB 0.617 38.998 38.460 -0.133 0.000 1.146 1404 Y HN -0.043 nan 8.280 nan 0.000 0.523 1405 I N 1.121 121.656 120.570 -0.059 0.000 2.581 1405 I HA 0.081 4.250 4.170 -0.003 0.000 0.288 1405 I C 0.132 176.249 176.117 0.001 0.000 1.047 1405 I CA -0.331 60.949 61.300 -0.033 0.000 1.374 1405 I CB 0.701 38.530 38.000 -0.284 0.000 1.423 1405 I HN 0.011 nan 8.210 nan 0.000 0.549 1406 N N 5.583 124.312 118.700 0.049 0.000 2.918 1406 N HA 0.047 4.785 4.740 -0.003 0.000 0.247 1406 N C 0.539 176.071 175.510 0.036 0.000 1.117 1406 N CA -0.092 52.972 53.050 0.023 0.000 1.005 1406 N CB 0.152 38.636 38.487 -0.004 0.000 1.297 1406 N HN 0.603 nan 8.380 nan 0.000 0.513 1407 D N 1.470 121.908 120.400 0.063 0.000 2.973 1407 D HA -0.317 4.322 4.640 -0.003 0.000 0.203 1407 D C 1.234 177.571 176.300 0.061 0.000 1.096 1407 D CA 1.482 55.537 54.000 0.093 0.000 0.876 1407 D CB -0.012 40.829 40.800 0.068 0.000 0.979 1407 D HN 0.661 nan 8.370 nan 0.000 0.495 1408 E N -0.497 119.723 120.200 0.034 0.000 2.301 1408 E HA -0.313 4.035 4.350 -0.003 0.000 0.224 1408 E C 1.281 177.895 176.600 0.023 0.000 1.092 1408 E CA 2.135 58.548 56.400 0.022 0.000 0.913 1408 E CB -0.159 29.545 29.700 0.008 0.000 0.776 1408 E HN 0.377 nan 8.360 nan 0.000 0.465 1409 S N -1.284 114.428 115.700 0.020 0.000 2.900 1409 S HA 0.335 4.804 4.470 -0.003 0.000 0.253 1409 S C -0.160 174.457 174.600 0.028 0.000 1.029 1409 S CA -0.407 57.803 58.200 0.017 0.000 1.096 1409 S CB 1.122 64.321 63.200 -0.001 0.000 1.067 1409 S HN 0.045 nan 8.310 nan 0.000 0.610 1410 V N 1.768 121.714 119.914 0.053 0.000 3.182 1410 V HA 0.762 4.880 4.120 -0.003 0.000 0.308 1410 V C -1.562 174.606 176.094 0.124 0.000 1.240 1410 V CA -1.001 61.344 62.300 0.075 0.000 1.063 1410 V CB 2.309 34.172 31.823 0.067 0.000 1.076 1410 V HN 0.592 nan 8.190 nan 0.000 0.446 1411 I N 0.191 120.852 120.570 0.151 0.000 3.095 1411 I HA 0.811 4.980 4.170 -0.003 0.000 0.310 1411 I C -1.735 174.560 176.117 0.297 0.000 1.196 1411 I CA -0.794 60.604 61.300 0.162 0.000 0.985 1411 I CB 2.458 40.486 38.000 0.047 0.000 1.250 1411 I HN 0.593 nan 8.210 nan 0.000 0.446 1412 F N 1.575 121.535 119.950 0.016 0.000 2.576 1412 F HA 0.832 5.358 4.527 -0.003 0.000 0.313 1412 F C -0.608 175.334 175.800 0.236 0.000 1.078 1412 F CA -0.605 57.439 58.000 0.073 0.000 0.921 1412 F CB 1.231 40.151 39.000 -0.133 0.000 1.232 1412 F HN 0.867 nan 8.300 nan 0.000 0.459 1413 Q N 1.359 121.442 119.800 0.472 0.000 2.626 1413 Q HA 0.611 4.949 4.340 -0.003 0.000 0.300 1413 Q C -1.433 174.802 176.000 0.393 0.000 0.988 1413 Q CA -1.300 54.717 55.803 0.356 0.000 0.761 1413 Q CB 2.196 31.010 28.738 0.126 0.000 1.494 1413 Q HN 0.752 nan 8.270 nan 0.000 0.439 1414 R N 0.762 121.339 120.500 0.128 0.000 2.500 1414 R HA 0.454 4.793 4.340 -0.003 0.000 0.275 1414 R C 0.181 176.510 176.300 0.048 0.000 1.051 1414 R CA -0.664 55.437 56.100 0.001 0.000 1.088 1414 R CB 0.522 30.708 30.300 -0.189 0.000 1.063 1414 R HN 0.610 nan 8.270 nan 0.000 0.511 1415 I N 2.206 122.821 120.570 0.074 0.000 2.845 1415 I HA -0.185 3.983 4.170 -0.003 0.000 0.296 1415 I C 1.191 177.322 176.117 0.023 0.000 1.216 1415 I CA 1.122 62.481 61.300 0.098 0.000 1.438 1415 I CB 0.256 38.296 38.000 0.067 0.000 1.342 1415 I HN 0.653 nan 8.210 nan 0.000 0.577 1416 E N 3.784 124.003 120.200 0.031 0.000 3.249 1416 E HA 0.137 4.485 4.350 -0.003 0.000 0.184 1416 E C -0.084 176.530 176.600 0.023 0.000 1.163 1416 E CA -0.254 56.140 56.400 -0.009 0.000 1.353 1416 E CB 0.131 29.782 29.700 -0.081 0.000 1.466 1416 E HN 0.342 nan 8.360 nan 0.000 0.502 1417 V N 1.698 121.636 119.914 0.041 0.000 3.061 1417 V HA -0.013 4.106 4.120 -0.003 0.000 0.306 1417 V C 1.331 177.441 176.094 0.027 0.000 1.118 1417 V CA 1.522 63.831 62.300 0.014 0.000 1.231 1417 V CB 1.080 32.871 31.823 -0.053 0.000 0.956 1417 V HN 0.609 nan 8.190 nan 0.000 0.499 1418 G N 0.823 109.636 108.800 0.020 0.000 3.126 1418 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.224 1418 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.224 1418 G C 0.980 175.931 174.900 0.085 0.000 1.142 1418 G CA 0.566 45.699 45.100 0.056 0.000 0.759 1418 G HN 1.032 nan 8.290 nan 0.000 0.550 1419 H N -1.587 117.433 119.070 -0.084 0.000 2.547 1419 H HA 0.188 4.743 4.556 -0.003 0.000 0.272 1419 H C 1.595 176.966 175.328 0.073 0.000 0.971 1419 H CA 0.539 56.548 56.048 -0.065 0.000 1.245 1419 H CB 0.101 29.765 29.762 -0.163 0.000 1.440 1419 H HN 0.177 nan 8.280 nan 0.000 0.540 1420 Y N 1.139 121.362 120.300 -0.127 0.000 2.243 1420 Y HA -0.018 4.530 4.550 -0.003 0.000 0.293 1420 Y C 2.625 178.465 175.900 -0.099 0.000 1.124 1420 Y CA 1.259 59.283 58.100 -0.126 0.000 1.159 1420 Y CB -0.484 38.029 38.460 0.088 0.000 1.008 1420 Y HN 0.439 nan 8.280 nan 0.000 0.527 1421 E N -0.504 119.772 120.200 0.128 0.000 2.153 1421 E HA -0.172 4.177 4.350 -0.003 0.000 0.194 1421 E C 2.117 178.783 176.600 0.109 0.000 0.988 1421 E CA 1.219 57.671 56.400 0.087 0.000 0.811 1421 E CB 0.039 29.807 29.700 0.113 0.000 0.746 1421 E HN 0.288 nan 8.360 nan 0.000 0.466 1422 S N -0.073 115.686 115.700 0.099 0.000 2.395 1422 S HA -0.076 4.393 4.470 -0.003 0.000 0.225 1422 S C 1.857 176.548 174.600 0.151 0.000 1.027 1422 S CA 0.552 58.836 58.200 0.139 0.000 0.965 1422 S CB 0.010 63.319 63.200 0.182 0.000 0.812 1422 S HN 0.308 nan 8.310 nan 0.000 0.482 1423 Q N 0.563 120.377 119.800 0.023 0.000 2.014 1423 Q HA -0.182 4.157 4.340 -0.003 0.000 0.207 1423 Q C 2.197 178.160 176.000 -0.062 0.000 0.993 1423 Q CA 1.712 57.508 55.803 -0.012 0.000 0.850 1423 Q CB -0.427 28.298 28.738 -0.023 0.000 0.916 1423 Q HN 0.473 nan 8.270 nan 0.000 0.417 1424 L N 0.801 121.854 121.223 -0.284 0.000 1.951 1424 L HA -0.333 4.005 4.340 -0.003 0.000 0.222 1424 L C 2.545 179.279 176.870 -0.227 0.000 1.078 1424 L CA 2.010 56.623 54.840 -0.378 0.000 0.778 1424 L CB -0.358 41.370 42.059 -0.552 0.000 0.893 1424 L HN 0.160 nan 8.230 nan 0.000 0.436 1425 K N -1.045 119.169 120.400 -0.310 0.000 2.049 1425 K HA -0.330 3.988 4.320 -0.003 0.000 0.219 1425 K C 1.907 178.269 176.600 -0.397 0.000 1.056 1425 K CA 2.505 58.388 56.287 -0.673 0.000 0.946 1425 K CB -0.322 31.642 32.500 -0.893 0.000 0.723 1425 K HN 0.462 nan 8.250 nan 0.000 0.453 1426 H N -0.209 118.724 119.070 -0.229 0.000 2.352 1426 H HA -0.086 4.468 4.556 -0.003 0.000 0.299 1426 H C 1.914 177.206 175.328 -0.060 0.000 1.097 1426 H CA 1.800 57.770 56.048 -0.130 0.000 1.311 1426 H CB -0.150 29.574 29.762 -0.064 0.000 1.377 1426 H HN 0.101 nan 8.280 nan 0.000 0.504 1427 L N 0.101 121.392 121.223 0.113 0.000 1.944 1427 L HA -0.231 4.108 4.340 -0.003 0.000 0.218 1427 L C 2.233 179.184 176.870 0.135 0.000 1.075 1427 L CA 1.483 56.424 54.840 0.168 0.000 0.767 1427 L CB -0.529 41.639 42.059 0.182 0.000 0.890 1427 L HN 0.318 nan 8.230 nan 0.000 0.434 1428 I N -0.445 120.163 120.570 0.064 0.000 2.290 1428 I HA -0.367 3.801 4.170 -0.003 0.000 0.253 1428 I C 2.338 178.462 176.117 0.011 0.000 1.112 1428 I CA 1.524 62.865 61.300 0.067 0.000 1.377 1428 I CB -0.609 37.382 38.000 -0.015 0.000 1.060 1428 I HN 0.453 nan 8.210 nan 0.000 0.428 1429 E N 0.685 120.834 120.200 -0.085 0.000 2.028 1429 E HA -0.222 4.126 4.350 -0.003 0.000 0.190 1429 E C 2.115 178.654 176.600 -0.101 0.000 0.984 1429 E CA 0.950 57.276 56.400 -0.122 0.000 0.800 1429 E CB -0.077 29.511 29.700 -0.185 0.000 0.758 1429 E HN 0.429 nan 8.360 nan 0.000 0.448 1430 E N 0.050 120.206 120.200 -0.072 0.000 2.065 1430 E HA -0.321 4.027 4.350 -0.003 0.000 0.201 1430 E C 2.033 178.350 176.600 -0.473 0.000 1.016 1430 E CA 1.669 57.952 56.400 -0.194 0.000 0.818 1430 E CB -0.116 29.556 29.700 -0.047 0.000 0.749 1430 E HN 0.229 nan 8.360 nan 0.000 0.453 1431 H N 0.241 119.026 119.070 -0.475 0.000 2.261 1431 H HA -0.192 4.363 4.556 -0.003 0.000 0.290 1431 H C 1.973 177.119 175.328 -0.303 0.000 1.081 1431 H CA 2.444 58.227 56.048 -0.441 0.000 1.196 1431 H CB -0.758 29.014 29.762 0.016 0.000 1.350 1431 H HN 0.052 nan 8.280 nan 0.000 0.498 1432 V N 0.035 119.830 119.914 -0.199 0.000 2.215 1432 V HA -0.380 3.739 4.120 -0.003 0.000 0.249 1432 V C 2.572 178.511 176.094 -0.258 0.000 1.054 1432 V CA 2.704 64.853 62.300 -0.251 0.000 1.012 1432 V CB -1.239 30.517 31.823 -0.113 0.000 0.639 1432 V HN 0.641 nan 8.190 nan 0.000 0.448 1433 T N -0.323 114.105 114.554 -0.210 0.000 2.594 1433 T HA -0.300 4.049 4.350 -0.003 0.000 0.266 1433 T C 1.819 176.395 174.700 -0.207 0.000 1.070 1433 T CA 2.089 64.080 62.100 -0.182 0.000 1.166 1433 T CB -0.404 68.367 68.868 -0.161 0.000 0.862 1433 T HN 0.527 nan 8.240 nan 0.000 0.436 1434 E N -0.054 119.960 120.200 -0.311 0.000 2.106 1434 E HA -0.061 4.287 4.350 -0.003 0.000 0.192 1434 E C 2.269 178.754 176.600 -0.192 0.000 0.984 1434 E CA 1.171 57.417 56.400 -0.257 0.000 0.806 1434 E CB -0.408 29.068 29.700 -0.373 0.000 0.750 1434 E HN 0.464 nan 8.360 nan 0.000 0.458 1435 T N -0.992 113.394 114.554 -0.281 0.000 3.010 1435 T HA 0.024 4.373 4.350 -0.003 0.000 0.257 1435 T C 0.184 174.769 174.700 -0.192 0.000 1.020 1435 T CA 0.005 61.960 62.100 -0.241 0.000 0.938 1435 T CB 0.100 68.675 68.868 -0.488 0.000 1.049 1435 T HN 0.059 nan 8.240 nan 0.000 0.522 1436 Q N 1.515 121.205 119.800 -0.184 0.000 2.437 1436 Q HA -0.140 4.198 4.340 -0.003 0.000 0.274 1436 Q C -0.147 175.792 176.000 -0.101 0.000 1.165 1436 Q CA 0.555 56.286 55.803 -0.119 0.000 0.925 1436 Q CB -1.785 26.907 28.738 -0.077 0.000 1.327 1436 Q HN 0.434 nan 8.270 nan 0.000 0.505 1437 S N -0.486 115.125 115.700 -0.148 0.000 2.465 1437 S HA 0.189 4.657 4.470 -0.003 0.000 0.280 1437 S C 1.212 175.827 174.600 0.024 0.000 1.232 1437 S CA -0.404 57.764 58.200 -0.053 0.000 1.066 1437 S CB 0.669 63.841 63.200 -0.047 0.000 0.929 1437 S HN 0.337 nan 8.310 nan 0.000 0.494 1438 R N 3.142 123.671 120.500 0.049 0.000 2.147 1438 R HA -0.138 4.200 4.340 -0.003 0.000 0.225 1438 R C 1.868 178.242 176.300 0.123 0.000 1.120 1438 R CA 2.117 58.257 56.100 0.066 0.000 0.891 1438 R CB -0.912 29.426 30.300 0.063 0.000 0.822 1438 R HN 0.828 nan 8.270 nan 0.000 0.433 1439 F N 1.458 121.401 119.950 -0.012 0.000 2.118 1439 F HA -0.398 4.128 4.527 -0.003 0.000 0.297 1439 F C 2.107 177.896 175.800 -0.018 0.000 1.061 1439 F CA 1.876 59.863 58.000 -0.023 0.000 1.268 1439 F CB -0.260 38.720 39.000 -0.033 0.000 1.019 1439 F HN 0.180 nan 8.300 nan 0.000 0.492 1440 A N 0.416 123.347 122.820 0.185 0.000 1.832 1440 A HA 0.049 4.367 4.320 -0.003 0.000 0.214 1440 A C 2.486 180.048 177.584 -0.037 0.000 1.204 1440 A CA 1.829 53.898 52.037 0.053 0.000 0.606 1440 A CB -1.731 17.443 19.000 0.290 0.000 0.849 1440 A HN 0.644 nan 8.150 nan 0.000 0.445 1441 A N -0.008 122.810 122.820 -0.003 0.000 1.944 1441 A HA -0.342 3.977 4.320 -0.003 0.000 0.222 1441 A C 1.868 179.433 177.584 -0.031 0.000 1.237 1441 A CA 2.281 54.303 52.037 -0.026 0.000 0.668 1441 A CB -0.936 18.052 19.000 -0.021 0.000 0.830 1441 A HN 0.684 nan 8.150 nan 0.000 0.471 1442 E N -0.917 119.255 120.200 -0.047 0.000 2.204 1442 E HA -0.125 4.223 4.350 -0.003 0.000 0.195 1442 E C 1.851 178.424 176.600 -0.045 0.000 0.990 1442 E CA 1.030 57.402 56.400 -0.046 0.000 0.821 1442 E CB -0.243 29.424 29.700 -0.055 0.000 0.750 1442 E HN 0.760 nan 8.360 nan 0.000 0.477 1443 I N 0.849 121.357 120.570 -0.104 0.000 2.546 1443 I HA -0.214 3.955 4.170 -0.003 0.000 0.255 1443 I C 2.213 178.460 176.117 0.217 0.000 1.163 1443 I CA 0.564 61.878 61.300 0.023 0.000 1.457 1443 I CB -0.033 37.937 38.000 -0.050 0.000 1.092 1443 I HN 0.152 nan 8.210 nan 0.000 0.434 1444 L N 0.394 121.677 121.223 0.099 0.000 2.027 1444 L HA -0.199 4.139 4.340 -0.003 0.000 0.206 1444 L C 2.126 179.055 176.870 0.098 0.000 1.074 1444 L CA 1.305 56.181 54.840 0.060 0.000 0.745 1444 L CB -0.789 41.225 42.059 -0.074 0.000 0.898 1444 L HN 0.299 nan 8.230 nan 0.000 0.433 1445 N N -0.081 118.652 118.700 0.055 0.000 2.334 1445 N HA -0.204 4.535 4.740 -0.003 0.000 0.187 1445 N C 0.762 176.326 175.510 0.090 0.000 1.016 1445 N CA 1.307 54.390 53.050 0.054 0.000 0.879 1445 N CB -0.271 38.231 38.487 0.025 0.000 0.965 1445 N HN 0.282 nan 8.380 nan 0.000 0.438 1446 D N -1.095 119.384 120.400 0.132 0.000 2.696 1446 D HA 0.041 4.679 4.640 -0.003 0.000 0.269 1446 D C 1.052 177.458 176.300 0.178 0.000 1.319 1446 D CA -0.528 53.544 54.000 0.120 0.000 0.826 1446 D CB -0.275 40.571 40.800 0.075 0.000 1.086 1446 D HN 0.171 nan 8.370 nan 0.000 0.481 1447 W N 1.461 122.766 121.300 0.009 0.000 2.278 1447 W HA -0.444 4.214 4.660 -0.003 0.000 0.339 1447 W C 1.819 178.349 176.519 0.018 0.000 1.348 1447 W CA 2.329 59.682 57.345 0.014 0.000 1.289 1447 W CB -0.371 29.075 29.460 -0.023 0.000 1.124 1447 W HN 0.192 nan 8.180 nan 0.000 0.469 1448 A N 0.484 123.306 122.820 0.004 0.000 1.893 1448 A HA -0.371 3.948 4.320 -0.003 0.000 0.222 1448 A C 1.964 179.441 177.584 -0.179 0.000 1.309 1448 A CA 3.056 55.029 52.037 -0.107 0.000 0.681 1448 A CB -1.474 17.519 19.000 -0.011 0.000 0.842 1448 A HN 0.519 nan 8.150 nan 0.000 0.468 1449 R N -1.241 119.196 120.500 -0.104 0.000 2.093 1449 R HA -0.071 4.268 4.340 -0.003 0.000 0.224 1449 R C 2.156 178.366 176.300 -0.149 0.000 1.101 1449 R CA 1.125 57.161 56.100 -0.107 0.000 0.979 1449 R CB -0.113 30.155 30.300 -0.053 0.000 0.877 1449 R HN 0.617 nan 8.270 nan 0.000 0.441 1450 E N 0.165 120.289 120.200 -0.128 0.000 2.047 1450 E HA -0.142 4.207 4.350 -0.003 0.000 0.191 1450 E C 2.065 178.551 176.600 -0.190 0.000 0.987 1450 E CA 1.261 57.612 56.400 -0.081 0.000 0.799 1450 E CB -0.307 29.484 29.700 0.152 0.000 0.752 1450 E HN 0.158 nan 8.360 nan 0.000 0.449 1451 V N 1.661 121.196 119.914 -0.632 0.000 2.370 1451 V HA -0.277 3.842 4.120 -0.003 0.000 0.252 1451 V C 2.402 178.317 176.094 -0.298 0.000 1.068 1451 V CA 2.143 63.965 62.300 -0.797 0.000 1.061 1451 V CB -1.156 29.941 31.823 -1.210 0.000 0.656 1451 V HN 0.277 nan 8.190 nan 0.000 0.455 1452 T N -0.955 113.420 114.554 -0.299 0.000 2.802 1452 T HA -0.257 4.091 4.350 -0.003 0.000 0.269 1452 T C 1.864 176.404 174.700 -0.267 0.000 1.062 1452 T CA 1.745 63.700 62.100 -0.242 0.000 1.133 1452 T CB -0.223 68.514 68.868 -0.219 0.000 0.852 1452 T HN 0.538 nan 8.240 nan 0.000 0.485 1453 K N -0.911 119.325 120.400 -0.273 0.000 2.323 1453 K HA 0.182 4.500 4.320 -0.003 0.000 0.197 1453 K C 0.511 176.812 176.600 -0.499 0.000 1.043 1453 K CA -0.106 55.894 56.287 -0.478 0.000 0.997 1453 K CB 0.133 32.233 32.500 -0.667 0.000 0.807 1453 K HN 0.228 nan 8.250 nan 0.000 0.497 1454 F N 0.096 119.837 119.950 -0.348 0.000 2.460 1454 F HA 0.010 4.535 4.527 -0.003 0.000 0.292 1454 F C 0.171 175.927 175.800 -0.074 0.000 1.280 1454 F CA 0.469 58.413 58.000 -0.093 0.000 1.306 1454 F CB 0.206 39.242 39.000 0.059 0.000 1.316 1454 F HN -0.068 nan 8.300 nan 0.000 0.523 1455 W N 0.053 121.558 121.300 0.342 0.000 3.775 1455 W HA 0.270 4.928 4.660 -0.003 0.000 0.315 1455 W C -1.210 175.473 176.519 0.272 0.000 1.169 1455 W CA -0.818 56.673 57.345 0.244 0.000 1.266 1455 W CB 1.108 30.656 29.460 0.146 0.000 1.269 1455 W HN 0.249 nan 8.180 nan 0.000 0.471 1456 Q N 2.520 122.628 119.800 0.512 0.000 2.288 1456 Q HA 0.515 4.853 4.340 -0.003 0.000 0.258 1456 Q C -1.108 175.029 176.000 0.228 0.000 0.957 1456 Q CA 0.063 56.029 55.803 0.272 0.000 0.919 1456 Q CB 1.166 30.033 28.738 0.215 0.000 1.185 1456 Q HN 0.344 nan 8.270 nan 0.000 0.408 1457 V N 5.461 125.423 119.914 0.081 0.000 2.384 1457 V HA 0.498 4.616 4.120 -0.003 0.000 0.287 1457 V C -0.716 175.385 176.094 0.012 0.000 1.020 1457 V CA -0.583 61.797 62.300 0.134 0.000 0.850 1457 V CB 1.627 33.574 31.823 0.206 0.000 0.987 1457 V HN 0.635 nan 8.190 nan 0.000 0.436 1458 V N 7.259 127.200 119.914 0.044 0.000 2.760 1458 V HA 0.473 4.592 4.120 -0.003 0.000 0.309 1458 V C -2.627 173.483 176.094 0.028 0.000 1.077 1458 V CA -2.077 60.219 62.300 -0.007 0.000 0.910 1458 V CB 2.777 34.588 31.823 -0.021 0.000 1.008 1458 V HN 0.674 nan 8.190 nan 0.000 0.424 1459 P HA 0.317 nan 4.420 nan 0.000 0.276 1459 P C 0.340 177.657 177.300 0.027 0.000 1.235 1459 P CA -0.324 62.786 63.100 0.016 0.000 0.772 1459 P CB 0.836 32.536 31.700 0.001 0.000 0.871 1460 K N 2.703 123.123 120.400 0.033 0.000 1.975 1460 K HA -0.223 4.095 4.320 -0.003 0.000 0.225 1460 K C 1.473 178.092 176.600 0.031 0.000 1.050 1460 K CA 1.718 58.026 56.287 0.035 0.000 0.992 1460 K CB -0.556 31.963 32.500 0.032 0.000 0.738 1460 K HN 0.545 nan 8.250 nan 0.000 0.446 1461 E N 0.432 120.647 120.200 0.026 0.000 2.474 1461 E HA -0.231 4.118 4.350 -0.003 0.000 0.207 1461 E C 1.410 178.024 176.600 0.023 0.000 1.087 1461 E CA 0.847 57.261 56.400 0.023 0.000 0.894 1461 E CB -0.205 29.506 29.700 0.018 0.000 0.827 1461 E HN 0.349 nan 8.360 nan 0.000 0.575 1462 M N -0.246 119.370 119.600 0.025 0.000 2.382 1462 M HA 0.149 4.627 4.480 -0.003 0.000 0.247 1462 M C 1.925 178.254 176.300 0.048 0.000 1.104 1462 M CA 0.003 55.320 55.300 0.029 0.000 1.030 1462 M CB -0.238 32.371 32.600 0.015 0.000 1.424 1462 M HN 0.101 nan 8.290 nan 0.000 0.486 1463 L N 0.850 122.105 121.223 0.054 0.000 1.970 1463 L HA -0.266 4.073 4.340 -0.003 0.000 0.212 1463 L C 1.513 178.428 176.870 0.076 0.000 1.071 1463 L CA 1.288 56.173 54.840 0.075 0.000 0.751 1463 L CB -0.693 41.408 42.059 0.070 0.000 0.889 1463 L HN 0.334 nan 8.230 nan 0.000 0.432 1464 N N -0.015 118.719 118.700 0.056 0.000 2.521 1464 N HA -0.044 4.694 4.740 -0.003 0.000 0.188 1464 N C 1.219 176.758 175.510 0.048 0.000 1.146 1464 N CA 0.468 53.548 53.050 0.050 0.000 0.893 1464 N CB -0.020 38.489 38.487 0.036 0.000 0.975 1464 N HN 0.351 nan 8.380 nan 0.000 0.451 1465 R N -0.050 120.480 120.500 0.050 0.000 2.362 1465 R HA 0.215 4.554 4.340 -0.003 0.000 0.227 1465 R C 0.222 176.558 176.300 0.060 0.000 0.905 1465 R CA -0.143 55.983 56.100 0.043 0.000 1.067 1465 R CB 0.622 30.940 30.300 0.031 0.000 1.078 1465 R HN 0.157 nan 8.270 nan 0.000 0.516 1466 L N 2.598 123.873 121.223 0.086 0.000 2.288 1466 L HA 0.097 4.435 4.340 -0.003 0.000 0.283 1466 L C 1.279 178.227 176.870 0.131 0.000 1.072 1466 L CA 0.149 55.062 54.840 0.121 0.000 0.862 1466 L CB 0.716 42.872 42.059 0.162 0.000 1.245 1466 L HN 0.207 nan 8.230 nan 0.000 0.432 1467 E N 2.292 122.548 120.200 0.094 0.000 2.813 1467 E HA -0.320 4.028 4.350 -0.003 0.000 0.233 1467 E C 0.088 176.723 176.600 0.059 0.000 0.922 1467 E CA 2.188 58.626 56.400 0.064 0.000 1.351 1467 E CB -0.069 29.663 29.700 0.054 0.000 1.349 1467 E HN 0.432 nan 8.360 nan 0.000 0.485 1468 V N 3.055 123.016 119.914 0.078 0.000 2.405 1468 V HA 0.155 4.274 4.120 -0.003 0.000 0.264 1468 V C -2.053 174.113 176.094 0.120 0.000 1.048 1468 V CA -1.082 61.230 62.300 0.020 0.000 0.966 1468 V CB 0.821 32.580 31.823 -0.106 0.000 1.015 1468 V HN 0.303 nan 8.190 nan 0.000 0.477 1469 P HA 0.022 nan 4.420 nan 0.000 0.269 1469 P C 0.769 178.213 177.300 0.241 0.000 1.217 1469 P CA 0.083 63.288 63.100 0.175 0.000 0.783 1469 P CB 0.774 32.551 31.700 0.128 0.000 0.898 1470 V N 0.227 120.341 119.914 0.334 0.000 3.406 1470 V HA -0.024 4.095 4.120 -0.003 0.000 0.263 1470 V C 0.548 176.774 176.094 0.220 0.000 1.172 1470 V CA 1.229 63.782 62.300 0.422 0.000 1.140 1470 V CB -1.044 30.970 31.823 0.317 0.000 0.784 1470 V HN 0.515 nan 8.190 nan 0.000 0.467 1471 H N -1.802 117.356 119.070 0.147 0.000 2.731 1471 H HA 0.567 5.121 4.556 -0.003 0.000 0.368 1471 H C -0.278 175.087 175.328 0.061 0.000 1.168 1471 H CA -0.784 55.322 56.048 0.097 0.000 1.181 1471 H CB 1.819 31.628 29.762 0.079 0.000 1.743 1471 H HN 0.122 nan 8.280 nan 0.000 0.547 1472 L N 0.000 121.402 121.223 0.298 0.000 2.949 1472 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 1472 L CA 0.000 54.938 54.840 0.163 0.000 0.813 1472 L CB 0.000 42.129 42.059 0.117 0.000 0.961 1472 L HN 0.000 nan 8.230 nan 0.000 0.502