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 3lzi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLAGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.346 176.300 0.077 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.651 32.600 0.086 0.000 1.302 2 K N 1.490 121.943 120.400 0.089 0.000 2.249 2 K HA 0.333 4.654 4.320 0.001 0.000 0.280 2 K C -0.695 176.080 176.600 0.293 0.000 1.033 2 K CA -0.034 56.317 56.287 0.107 0.000 0.946 2 K CB 0.864 33.352 32.500 -0.020 0.000 1.005 2 K HN 0.619 nan 8.250 nan 0.000 0.469 3 E N 2.839 123.246 120.200 0.344 0.000 2.404 3 E HA 0.170 4.520 4.350 0.001 0.000 0.261 3 E C -0.537 176.430 176.600 0.612 0.000 1.074 3 E CA 0.046 56.694 56.400 0.413 0.000 0.917 3 E CB 0.388 30.349 29.700 0.435 0.000 0.965 3 E HN 0.416 nan 8.360 nan 0.000 0.433 4 F N -1.029 119.101 119.950 0.300 0.000 2.641 4 F HA 0.365 4.892 4.527 0.000 0.000 0.308 4 F C -0.877 174.924 175.800 0.002 0.000 1.105 4 F CA -1.648 56.312 58.000 -0.066 0.000 0.964 4 F CB 0.356 39.193 39.000 -0.273 0.000 1.294 4 F HN 0.405 nan 8.300 nan 0.000 0.442 5 Y N 1.342 121.575 120.300 -0.113 0.000 2.314 5 Y HA 0.651 5.201 4.550 0.000 0.000 0.334 5 Y C -0.051 176.052 175.900 0.339 0.000 1.266 5 Y CA -0.960 57.233 58.100 0.155 0.000 1.391 5 Y CB 0.499 39.016 38.460 0.094 0.000 1.306 5 Y HN 0.729 nan 8.280 nan 0.000 0.558 6 L N 0.781 122.256 121.223 0.420 0.000 2.453 6 L HA 0.232 4.573 4.340 0.001 0.000 0.190 6 L C 0.500 177.594 176.870 0.373 0.000 1.093 6 L CA 0.733 55.766 54.840 0.320 0.000 0.834 6 L CB 0.157 42.342 42.059 0.209 0.000 1.090 6 L HN 0.905 nan 8.230 nan 0.000 0.489 7 T N -2.426 112.359 114.554 0.385 0.000 2.909 7 T HA 0.640 4.991 4.350 0.001 0.000 0.299 7 T C -1.068 173.810 174.700 0.295 0.000 1.073 7 T CA -0.613 61.675 62.100 0.313 0.000 0.999 7 T CB 2.599 71.607 68.868 0.233 0.000 1.098 7 T HN -0.143 nan 8.240 nan 0.000 0.477 8 V N 0.761 120.783 119.914 0.182 0.000 2.823 8 V HA 0.891 5.011 4.120 0.001 0.000 0.312 8 V C -1.556 174.599 176.094 0.102 0.000 1.072 8 V CA -0.507 61.858 62.300 0.109 0.000 0.937 8 V CB 2.082 33.908 31.823 0.005 0.000 1.013 8 V HN 1.147 nan 8.190 nan 0.000 0.430 9 E N 2.754 123.015 120.200 0.103 0.000 2.343 9 E HA 0.390 4.741 4.350 0.001 0.000 0.278 9 E C -1.351 175.331 176.600 0.137 0.000 0.910 9 E CA -0.408 56.089 56.400 0.161 0.000 0.757 9 E CB 2.082 31.963 29.700 0.301 0.000 1.218 9 E HN 0.741 nan 8.360 nan 0.000 0.435 10 Q N 4.863 124.761 119.800 0.164 0.000 2.340 10 Q HA 0.420 4.761 4.340 0.001 0.000 0.259 10 Q C -0.366 175.755 176.000 0.202 0.000 0.964 10 Q CA -0.170 55.726 55.803 0.155 0.000 0.900 10 Q CB 0.823 29.648 28.738 0.146 0.000 1.228 10 Q HN 0.747 nan 8.270 nan 0.000 0.449 11 I N 2.434 123.116 120.570 0.186 0.000 3.649 11 I HA 0.233 4.403 4.170 0.001 0.000 0.234 11 I C 1.253 177.411 176.117 0.069 0.000 1.053 11 I CA 0.541 61.897 61.300 0.092 0.000 1.538 11 I CB -0.052 37.980 38.000 0.054 0.000 1.445 11 I HN 0.771 nan 8.210 nan 0.000 0.464 12 G N -0.235 108.620 108.800 0.091 0.000 3.198 12 G HA2 0.031 3.992 3.960 0.001 0.000 0.203 12 G HA3 0.031 3.992 3.960 0.001 0.000 0.203 12 G C 0.103 175.029 174.900 0.043 0.000 1.950 12 G CA 0.048 45.179 45.100 0.052 0.000 0.798 12 G HN 0.163 nan 8.290 nan 0.000 0.720 13 D N 0.751 121.161 120.400 0.017 0.000 2.336 13 D HA 0.279 4.920 4.640 0.001 0.000 0.228 13 D C 0.128 176.413 176.300 -0.025 0.000 1.120 13 D CA 0.311 54.304 54.000 -0.012 0.000 0.839 13 D CB 0.582 41.364 40.800 -0.029 0.000 0.932 13 D HN -0.006 nan 8.370 nan 0.000 0.509 14 S N 0.436 116.127 115.700 -0.016 0.000 2.482 14 S HA 0.426 4.896 4.470 0.001 0.000 0.303 14 S C -0.142 174.390 174.600 -0.113 0.000 1.091 14 S CA -0.688 57.444 58.200 -0.115 0.000 1.057 14 S CB 1.886 64.970 63.200 -0.193 0.000 1.031 14 S HN -0.006 nan 8.310 nan 0.000 0.485 15 I N 3.080 123.490 120.570 -0.267 0.000 2.353 15 I HA 0.371 4.541 4.170 0.001 0.000 0.293 15 I C -0.805 175.027 176.117 -0.474 0.000 0.992 15 I CA -0.488 60.599 61.300 -0.356 0.000 1.268 15 I CB 0.469 38.035 38.000 -0.724 0.000 1.387 15 I HN 0.530 nan 8.210 nan 0.000 0.478 16 F N 4.691 124.462 119.950 -0.297 0.000 2.411 16 F HA 0.370 4.898 4.527 0.002 0.000 0.352 16 F C 0.616 176.311 175.800 -0.176 0.000 1.123 16 F CA -0.446 57.345 58.000 -0.348 0.000 1.044 16 F CB 1.241 39.754 39.000 -0.811 0.000 1.135 16 F HN 0.412 nan 8.300 nan 0.000 0.461 17 E N 4.573 124.836 120.200 0.104 0.000 2.224 17 E HA 0.428 4.778 4.350 0.001 0.000 0.265 17 E C -0.978 175.877 176.600 0.424 0.000 0.878 17 E CA -0.896 55.658 56.400 0.257 0.000 0.759 17 E CB 1.206 31.048 29.700 0.236 0.000 1.164 17 E HN 0.611 nan 8.360 nan 0.000 0.414 18 R N 3.054 123.813 120.500 0.431 0.000 2.368 18 R HA 0.395 4.736 4.340 0.001 0.000 0.302 18 R C -0.877 175.684 176.300 0.435 0.000 1.002 18 R CA -0.459 55.863 56.100 0.370 0.000 0.929 18 R CB 0.819 31.266 30.300 0.245 0.000 1.073 18 R HN 0.447 nan 8.270 nan 0.000 0.464 19 Y N -0.587 119.794 120.300 0.134 0.000 2.689 19 Y HA 0.560 5.110 4.550 0.000 0.000 0.333 19 Y C -1.314 174.530 175.900 -0.094 0.000 1.190 19 Y CA -1.638 56.505 58.100 0.073 0.000 1.063 19 Y CB 1.097 39.680 38.460 0.205 0.000 1.294 19 Y HN 0.189 nan 8.280 nan 0.000 0.466 20 I N 3.481 123.876 120.570 -0.292 0.000 2.362 20 I HA 0.215 4.385 4.170 0.001 0.000 0.289 20 I C -0.472 175.522 176.117 -0.204 0.000 0.994 20 I CA -0.525 60.487 61.300 -0.479 0.000 1.158 20 I CB 0.924 38.340 38.000 -0.975 0.000 1.315 20 I HN 0.870 nan 8.210 nan 0.000 0.451 21 D N 4.039 124.345 120.400 -0.157 0.000 2.447 21 D HA 0.077 4.717 4.640 0.001 0.000 0.265 21 D C 1.117 177.446 176.300 0.050 0.000 1.250 21 D CA -0.382 53.658 54.000 0.066 0.000 1.046 21 D CB 0.435 41.271 40.800 0.060 0.000 1.095 21 D HN 0.426 nan 8.370 nan 0.000 0.555 22 S N -1.109 114.644 115.700 0.088 0.000 2.474 22 S HA -0.126 4.345 4.470 0.001 0.000 0.235 22 S C 0.886 175.510 174.600 0.040 0.000 0.997 22 S CA 0.308 58.550 58.200 0.071 0.000 0.949 22 S CB -0.515 62.726 63.200 0.067 0.000 0.766 22 S HN 0.478 nan 8.310 nan 0.000 0.517 23 N N 1.217 119.929 118.700 0.021 0.000 2.268 23 N HA 0.219 4.959 4.740 0.001 0.000 0.204 23 N C 1.117 176.623 175.510 -0.006 0.000 1.124 23 N CA 0.666 53.720 53.050 0.007 0.000 0.838 23 N CB 0.501 38.989 38.487 0.001 0.000 0.994 23 N HN 0.646 nan 8.380 nan 0.000 0.489 24 G N 1.230 110.022 108.800 -0.014 0.000 2.143 24 G HA2 -0.324 3.636 3.960 0.001 0.000 0.248 24 G HA3 -0.324 3.636 3.960 0.001 0.000 0.248 24 G C 0.217 175.076 174.900 -0.069 0.000 0.991 24 G CA -0.032 45.050 45.100 -0.029 0.000 0.689 24 G HN 0.315 nan 8.290 nan 0.000 0.522 25 R N 0.461 120.907 120.500 -0.091 0.000 2.357 25 R HA 0.472 4.813 4.340 0.001 0.000 0.296 25 R C 0.471 176.651 176.300 -0.200 0.000 1.052 25 R CA -0.455 55.575 56.100 -0.118 0.000 0.988 25 R CB 0.688 30.931 30.300 -0.095 0.000 1.025 25 R HN 0.418 nan 8.270 nan 0.000 0.469 26 E N 3.285 123.376 120.200 -0.183 0.000 2.290 26 E HA 0.067 4.417 4.350 0.001 0.000 0.277 26 E C -0.558 175.883 176.600 -0.265 0.000 1.035 26 E CA -0.149 56.115 56.400 -0.226 0.000 0.873 26 E CB 0.549 30.161 29.700 -0.146 0.000 1.029 26 E HN 0.282 nan 8.360 nan 0.000 0.419 27 R N 2.207 122.448 120.500 -0.432 0.000 2.855 27 R HA 0.454 4.794 4.340 0.001 0.000 0.266 27 R C -0.857 175.311 176.300 -0.221 0.000 1.034 27 R CA -0.821 55.040 56.100 -0.398 0.000 0.944 27 R CB 1.924 31.834 30.300 -0.649 0.000 1.219 27 R HN 0.571 nan 8.270 nan 0.000 0.474 28 T N 0.551 115.131 114.554 0.044 0.000 2.900 28 T HA 0.665 5.016 4.350 0.001 0.000 0.295 28 T C -1.353 173.529 174.700 0.304 0.000 1.044 28 T CA -0.847 61.407 62.100 0.256 0.000 0.995 28 T CB 1.275 70.303 68.868 0.268 0.000 1.072 28 T HN 0.693 nan 8.240 nan 0.000 0.473 29 R N 2.303 122.985 120.500 0.304 0.000 2.668 29 R HA 0.580 4.921 4.340 0.001 0.000 0.272 29 R C -1.288 174.962 176.300 -0.083 0.000 1.019 29 R CA -1.046 55.138 56.100 0.141 0.000 0.894 29 R CB 1.662 32.059 30.300 0.161 0.000 1.228 29 R HN 0.620 nan 8.270 nan 0.000 0.460 30 E N 2.531 122.587 120.200 -0.240 0.000 2.134 30 E HA 0.372 4.722 4.350 0.001 0.000 0.278 30 E C -1.280 175.115 176.600 -0.343 0.000 0.959 30 E CA -0.865 55.178 56.400 -0.596 0.000 0.783 30 E CB 1.784 31.055 29.700 -0.715 0.000 1.095 30 E HN 0.416 nan 8.360 nan 0.000 0.399 31 V N 4.590 124.294 119.914 -0.349 0.000 2.487 31 V HA 0.175 4.296 4.120 0.001 0.000 0.298 31 V C -0.439 175.575 176.094 -0.132 0.000 1.028 31 V CA -0.802 61.402 62.300 -0.160 0.000 0.860 31 V CB 1.771 33.573 31.823 -0.035 0.000 0.991 31 V HN 0.763 nan 8.190 nan 0.000 0.427 32 E N 3.731 123.891 120.200 -0.067 0.000 1.802 32 E HA 0.128 4.479 4.350 0.001 0.000 0.265 32 E C -0.877 175.732 176.600 0.015 0.000 1.168 32 E CA -0.283 56.089 56.400 -0.047 0.000 1.033 32 E CB 0.167 29.834 29.700 -0.056 0.000 1.095 32 E HN 0.580 nan 8.360 nan 0.000 0.436 33 Y N 2.407 122.653 120.300 -0.090 0.000 2.544 33 Y HA -0.014 4.536 4.550 0.001 0.000 0.330 33 Y C -0.128 175.727 175.900 -0.074 0.000 1.136 33 Y CA -0.140 57.940 58.100 -0.033 0.000 1.417 33 Y CB 0.388 38.850 38.460 0.004 0.000 1.229 33 Y HN 0.098 nan 8.280 nan 0.000 0.532 34 K N 9.208 129.266 120.400 -0.569 0.000 2.300 34 K HA 0.288 4.609 4.320 0.001 0.000 0.264 34 K C -2.530 173.579 176.600 -0.818 0.000 1.083 34 K CA -1.825 54.146 56.287 -0.527 0.000 0.958 34 K CB 0.586 32.908 32.500 -0.297 0.000 1.318 34 K HN 0.464 nan 8.250 nan 0.000 0.448 35 P HA 0.179 nan 4.420 nan 0.000 0.279 35 P C -0.774 176.411 177.300 -0.192 0.000 1.252 35 P CA -0.604 62.177 63.100 -0.532 0.000 0.811 35 P CB 1.507 32.887 31.700 -0.533 0.000 1.035 36 S N 0.819 116.466 115.700 -0.088 0.000 2.501 36 S HA 0.637 5.107 4.470 0.001 0.000 0.301 36 S C 0.032 174.582 174.600 -0.084 0.000 1.096 36 S CA -0.498 57.596 58.200 -0.176 0.000 1.063 36 S CB 0.591 63.570 63.200 -0.368 0.000 1.042 36 S HN 0.303 nan 8.310 nan 0.000 0.494 37 L N 1.417 122.536 121.223 -0.173 0.000 2.230 37 L HA 0.764 5.104 4.340 0.001 0.000 0.255 37 L C -1.426 175.144 176.870 -0.500 0.000 1.039 37 L CA -0.845 53.971 54.840 -0.039 0.000 0.846 37 L CB 1.144 43.392 42.059 0.314 0.000 1.419 37 L HN 0.536 nan 8.230 nan 0.000 0.435 38 F N -0.296 119.697 119.950 0.073 0.000 2.613 38 F HA 0.809 5.336 4.527 0.001 0.000 0.314 38 F C -0.166 175.721 175.800 0.145 0.000 1.075 38 F CA -0.724 57.278 58.000 0.004 0.000 0.945 38 F CB 2.078 41.043 39.000 -0.058 0.000 1.310 38 F HN 0.350 nan 8.300 nan 0.000 0.467 39 A N 0.394 123.376 122.820 0.269 0.000 2.449 39 A HA 0.618 4.938 4.320 0.001 0.000 0.302 39 A C -1.325 176.336 177.584 0.129 0.000 1.048 39 A CA -0.746 51.422 52.037 0.217 0.000 0.708 39 A CB 0.742 19.947 19.000 0.341 0.000 1.274 39 A HN 0.742 nan 8.150 nan 0.000 0.410 40 H N 0.253 119.436 119.070 0.189 0.000 3.001 40 H HA 0.275 4.831 4.556 0.001 0.000 0.334 40 H C 0.678 176.076 175.328 0.116 0.000 1.034 40 H CA 1.016 57.149 56.048 0.141 0.000 1.420 40 H CB 0.458 30.294 29.762 0.123 0.000 1.405 40 H HN 0.947 nan 8.280 nan 0.000 0.593 41 C N 2.613 122.049 119.300 0.226 0.000 3.044 41 C HA 0.425 4.886 4.460 0.001 0.000 0.315 41 C C -1.214 173.842 174.990 0.110 0.000 1.320 41 C CA -1.867 57.234 59.018 0.138 0.000 1.582 41 C CB 1.511 29.311 27.740 0.100 0.000 2.039 41 C HN 0.438 nan 8.230 nan 0.000 0.466 42 P HA -0.171 nan 4.420 nan 0.000 0.211 42 P C 0.768 178.109 177.300 0.069 0.000 0.948 42 P CA 2.769 65.908 63.100 0.064 0.000 1.010 42 P CB 0.191 31.922 31.700 0.050 0.000 0.737 43 E N -6.145 114.097 120.200 0.070 0.000 1.532 43 E HA -0.013 4.337 4.350 0.001 0.000 0.234 43 E C -0.457 176.201 176.600 0.096 0.000 1.061 43 E CA 0.588 57.042 56.400 0.090 0.000 1.424 43 E CB -0.402 29.349 29.700 0.086 0.000 4.305 43 E HN -0.054 nan 8.360 nan 0.000 0.816 44 S N 0.124 115.867 115.700 0.073 0.000 3.807 44 S HA -0.148 4.323 4.470 0.001 0.000 0.304 44 S C -0.440 174.185 174.600 0.041 0.000 1.152 44 S CA 1.296 59.527 58.200 0.052 0.000 0.852 44 S CB -1.067 62.163 63.200 0.050 0.000 0.924 44 S HN 0.504 nan 8.310 nan 0.000 0.545 45 Q N -0.806 119.016 119.800 0.036 0.000 2.832 45 Q HA 0.627 4.968 4.340 0.001 0.000 0.331 45 Q C -1.052 174.963 176.000 0.026 0.000 0.833 45 Q CA -0.257 55.571 55.803 0.041 0.000 0.794 45 Q CB 1.580 30.343 28.738 0.042 0.000 1.387 45 Q HN 1.498 nan 8.270 nan 0.000 0.508 46 A N 0.372 123.210 122.820 0.029 0.000 1.786 46 A HA -0.173 4.147 4.320 0.001 0.000 0.237 46 A C 0.211 177.782 177.584 -0.020 0.000 1.309 46 A CA 1.561 53.604 52.037 0.011 0.000 0.713 46 A CB -1.828 17.178 19.000 0.010 0.000 1.194 46 A HN 0.755 nan 8.150 nan 0.000 0.252 47 T N -0.254 114.257 114.554 -0.070 0.000 3.174 47 T HA 0.316 4.666 4.350 0.001 0.000 0.252 47 T C 1.291 175.877 174.700 -0.191 0.000 0.984 47 T CA 1.735 63.766 62.100 -0.116 0.000 1.113 47 T CB -0.187 68.569 68.868 -0.187 0.000 1.088 47 T HN 1.748 nan 8.240 nan 0.000 0.442 48 K N -1.188 119.047 120.400 -0.276 0.000 3.030 48 K HA -0.173 4.148 4.320 0.001 0.000 0.384 48 K C -1.182 175.156 176.600 -0.437 0.000 0.560 48 K CA 0.786 56.878 56.287 -0.324 0.000 1.690 48 K CB -1.528 30.690 32.500 -0.470 0.000 1.009 48 K HN 0.531 nan 8.250 nan 0.000 0.444 49 Y N 0.535 120.674 120.300 -0.268 0.000 2.320 49 Y HA 0.573 5.124 4.550 0.001 0.000 0.334 49 Y C 0.156 175.746 175.900 -0.517 0.000 1.055 49 Y CA -0.705 57.250 58.100 -0.242 0.000 1.143 49 Y CB 0.840 39.232 38.460 -0.114 0.000 1.193 49 Y HN -0.025 nan 8.280 nan 0.000 0.477 50 F N 1.602 121.620 119.950 0.114 0.000 2.565 50 F HA 0.263 4.791 4.527 0.001 0.000 0.313 50 F C -0.069 175.759 175.800 0.047 0.000 1.091 50 F CA -1.416 56.638 58.000 0.090 0.000 0.915 50 F CB 1.398 40.435 39.000 0.062 0.000 1.208 50 F HN 0.525 nan 8.300 nan 0.000 0.453 51 D N 1.681 122.244 120.400 0.273 0.000 2.393 51 D HA 0.026 4.667 4.640 0.001 0.000 0.246 51 D C 1.303 177.665 176.300 0.104 0.000 1.275 51 D CA -0.208 53.899 54.000 0.178 0.000 0.979 51 D CB 0.443 41.423 40.800 0.301 0.000 1.101 51 D HN 0.615 nan 8.370 nan 0.000 0.505 52 I N -3.191 117.330 120.570 -0.081 0.000 2.614 52 I HA -0.130 4.041 4.170 0.001 0.000 0.258 52 I C 1.130 177.080 176.117 -0.278 0.000 1.189 52 I CA 0.696 61.852 61.300 -0.239 0.000 1.462 52 I CB -0.659 37.117 38.000 -0.374 0.000 1.092 52 I HN 0.231 nan 8.210 nan 0.000 0.442 53 Y N 2.073 122.442 120.300 0.116 0.000 2.490 53 Y HA 0.390 4.941 4.550 0.001 0.000 0.281 53 Y C 1.953 177.893 175.900 0.067 0.000 1.174 53 Y CA 0.279 58.430 58.100 0.085 0.000 1.295 53 Y CB 0.275 38.785 38.460 0.083 0.000 1.062 53 Y HN 0.388 nan 8.280 nan 0.000 0.522 54 G N 0.250 109.157 108.800 0.179 0.000 2.157 54 G HA2 -0.236 3.725 3.960 0.001 0.000 0.239 54 G HA3 -0.236 3.725 3.960 0.001 0.000 0.239 54 G C 0.076 175.134 174.900 0.263 0.000 0.982 54 G CA -0.539 44.620 45.100 0.098 0.000 0.650 54 G HN 0.236 nan 8.290 nan 0.000 0.527 55 K N 1.638 122.245 120.400 0.346 0.000 2.205 55 K HA 0.390 4.710 4.320 0.001 0.000 0.279 55 K C -2.345 174.527 176.600 0.454 0.000 1.027 55 K CA -1.623 54.867 56.287 0.339 0.000 0.932 55 K CB 1.801 34.403 32.500 0.170 0.000 1.032 55 K HN 0.118 nan 8.250 nan 0.000 0.466 56 P HA 0.089 nan 4.420 nan 0.000 0.271 56 P C -0.558 176.829 177.300 0.144 0.000 1.216 56 P CA -0.335 62.816 63.100 0.084 0.000 0.776 56 P CB 0.593 32.333 31.700 0.066 0.000 0.881 57 C N 1.269 120.589 119.300 0.034 0.000 2.712 57 C HA 0.593 5.053 4.460 0.001 0.000 0.308 57 C C 0.508 175.597 174.990 0.165 0.000 1.201 57 C CA -0.200 58.905 59.018 0.146 0.000 1.554 57 C CB 2.024 29.849 27.740 0.142 0.000 2.117 57 C HN 0.538 nan 8.230 nan 0.000 0.480 58 T N 1.098 115.755 114.554 0.171 0.000 2.902 58 T HA 0.489 4.839 4.350 0.001 0.000 0.283 58 T C -0.331 174.399 174.700 0.050 0.000 1.009 58 T CA -0.380 61.792 62.100 0.120 0.000 1.051 58 T CB 0.547 69.440 68.868 0.042 0.000 0.999 58 T HN 0.743 nan 8.240 nan 0.000 0.474 59 R N 3.010 123.443 120.500 -0.111 0.000 2.297 59 R HA 0.397 4.737 4.340 0.001 0.000 0.308 59 R C -0.601 175.343 176.300 -0.593 0.000 1.029 59 R CA -0.541 55.193 56.100 -0.611 0.000 0.929 59 R CB 0.397 30.355 30.300 -0.571 0.000 1.046 59 R HN 0.505 nan 8.270 nan 0.000 0.461 60 K N 5.450 125.363 120.400 -0.812 0.000 2.367 60 K HA 0.209 4.530 4.320 0.001 0.000 0.263 60 K C -1.047 174.964 176.600 -0.982 0.000 1.000 60 K CA -0.859 54.869 56.287 -0.931 0.000 0.891 60 K CB 1.578 33.340 32.500 -1.230 0.000 1.117 60 K HN 0.328 nan 8.250 nan 0.000 0.443 61 L N 4.216 124.956 121.223 -0.806 0.000 2.265 61 L HA 0.426 4.767 4.340 0.001 0.000 0.288 61 L C -1.194 175.259 176.870 -0.696 0.000 1.058 61 L CA -0.064 54.420 54.840 -0.593 0.000 0.809 61 L CB 0.092 41.922 42.059 -0.381 0.000 1.179 61 L HN 0.343 nan 8.230 nan 0.000 0.429 62 F N 3.491 123.231 119.950 -0.350 0.000 2.425 62 F HA 0.543 5.071 4.527 0.002 0.000 0.331 62 F C 1.299 176.941 175.800 -0.263 0.000 1.085 62 F CA -0.073 57.745 58.000 -0.303 0.000 1.028 62 F CB 1.575 40.387 39.000 -0.313 0.000 1.177 62 F HN 0.628 nan 8.300 nan 0.000 0.487 63 A N 2.060 124.864 122.820 -0.026 0.000 2.014 63 A HA 0.019 4.339 4.320 0.001 0.000 0.218 63 A C 0.208 177.747 177.584 -0.076 0.000 1.163 63 A CA 1.442 53.438 52.037 -0.069 0.000 0.652 63 A CB -0.912 18.056 19.000 -0.054 0.000 0.808 63 A HN 0.887 nan 8.150 nan 0.000 0.449 64 N N -4.303 114.358 118.700 -0.065 0.000 2.934 64 N HA 0.437 5.178 4.740 0.001 0.000 0.253 64 N C -0.034 175.355 175.510 -0.202 0.000 1.466 64 N CA -0.634 52.346 53.050 -0.116 0.000 0.858 64 N CB 0.409 38.851 38.487 -0.075 0.000 1.459 64 N HN -0.089 nan 8.380 nan 0.000 0.532 65 M N -0.444 119.005 119.600 -0.251 0.000 2.254 65 M HA 0.056 4.537 4.480 0.001 0.000 0.265 65 M C 2.097 178.255 176.300 -0.235 0.000 1.066 65 M CA 1.034 56.073 55.300 -0.435 0.000 1.123 65 M CB -0.173 32.235 32.600 -0.321 0.000 1.388 65 M HN 0.620 nan 8.290 nan 0.000 0.425 66 R N 0.972 121.410 120.500 -0.103 0.000 2.080 66 R HA -0.187 4.153 4.340 0.001 0.000 0.236 66 R C 1.471 177.734 176.300 -0.062 0.000 1.137 66 R CA 2.168 58.246 56.100 -0.037 0.000 0.943 66 R CB -0.251 30.041 30.300 -0.014 0.000 0.846 66 R HN 0.266 nan 8.270 nan 0.000 0.431 67 D N 0.150 120.504 120.400 -0.077 0.000 2.158 67 D HA -0.181 4.459 4.640 0.001 0.000 0.197 67 D C 1.622 177.770 176.300 -0.254 0.000 0.995 67 D CA 1.613 55.586 54.000 -0.045 0.000 0.846 67 D CB -0.245 40.598 40.800 0.073 0.000 0.941 67 D HN 0.432 nan 8.370 nan 0.000 0.456 68 A N 0.101 122.552 122.820 -0.615 0.000 1.968 68 A HA -0.067 4.253 4.320 0.001 0.000 0.217 68 A C 2.416 179.840 177.584 -0.266 0.000 1.169 68 A CA 1.311 52.657 52.037 -1.151 0.000 0.638 68 A CB -0.267 18.030 19.000 -1.171 0.000 0.812 68 A HN 0.128 nan 8.150 nan 0.000 0.446 69 S N -0.341 115.339 115.700 -0.033 0.000 2.357 69 S HA -0.161 4.310 4.470 0.001 0.000 0.221 69 S C 2.133 176.756 174.600 0.038 0.000 1.031 69 S CA 1.387 59.642 58.200 0.091 0.000 0.982 69 S CB -0.282 62.991 63.200 0.123 0.000 0.853 69 S HN 0.692 nan 8.310 nan 0.000 0.458 70 Q N -0.583 119.233 119.800 0.026 0.000 2.061 70 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 70 Q C 1.942 177.989 176.000 0.078 0.000 0.984 70 Q CA 1.674 57.503 55.803 0.044 0.000 0.846 70 Q CB -0.268 28.503 28.738 0.056 0.000 0.902 70 Q HN 0.699 nan 8.270 nan 0.000 0.421 71 W N 1.403 122.661 121.300 -0.071 0.000 2.342 71 W HA -0.183 4.477 4.660 0.000 0.000 0.297 71 W C 1.608 178.124 176.519 -0.005 0.000 1.213 71 W CA 1.285 58.630 57.345 -0.001 0.000 1.251 71 W CB -0.212 29.294 29.460 0.078 0.000 1.136 71 W HN 0.038 nan 8.180 nan 0.000 0.526 72 I N 0.729 121.287 120.570 -0.019 0.000 2.163 72 I HA -0.388 3.783 4.170 0.001 0.000 0.243 72 I C 2.702 178.687 176.117 -0.221 0.000 1.085 72 I CA 1.946 63.144 61.300 -0.170 0.000 1.347 72 I CB -0.720 37.273 38.000 -0.012 0.000 1.044 72 I HN -0.033 nan 8.210 nan 0.000 0.408 73 K N 1.101 121.424 120.400 -0.127 0.000 2.026 73 K HA -0.193 4.128 4.320 0.001 0.000 0.208 73 K C 2.336 178.848 176.600 -0.146 0.000 1.048 73 K CA 1.438 57.660 56.287 -0.107 0.000 0.929 73 K CB -0.055 32.413 32.500 -0.054 0.000 0.713 73 K HN 0.234 nan 8.250 nan 0.000 0.439 74 R N -0.099 120.301 120.500 -0.167 0.000 2.091 74 R HA -0.119 4.222 4.340 0.001 0.000 0.238 74 R C 2.395 178.545 176.300 -0.249 0.000 1.136 74 R CA 1.590 57.587 56.100 -0.171 0.000 0.959 74 R CB -0.296 29.928 30.300 -0.126 0.000 0.856 74 R HN 0.281 nan 8.270 nan 0.000 0.437 75 M N 0.521 119.857 119.600 -0.440 0.000 2.159 75 M HA -0.148 4.332 4.480 0.001 0.000 0.263 75 M C 2.095 178.247 176.300 -0.246 0.000 1.063 75 M CA 1.413 56.454 55.300 -0.432 0.000 1.110 75 M CB -0.742 31.430 32.600 -0.714 0.000 1.374 75 M HN 0.245 nan 8.290 nan 0.000 0.411 76 E N 0.487 120.561 120.200 -0.210 0.000 2.047 76 E HA -0.207 4.144 4.350 0.001 0.000 0.191 76 E C 1.299 177.838 176.600 -0.101 0.000 0.987 76 E CA 1.222 57.542 56.400 -0.134 0.000 0.799 76 E CB 0.166 29.798 29.700 -0.113 0.000 0.752 76 E HN 0.387 nan 8.360 nan 0.000 0.449 77 D N 0.413 120.754 120.400 -0.099 0.000 2.178 77 D HA -0.125 4.515 4.640 0.001 0.000 0.201 77 D C 1.982 178.244 176.300 -0.063 0.000 0.980 77 D CA 0.790 54.747 54.000 -0.070 0.000 0.842 77 D CB -0.065 40.698 40.800 -0.062 0.000 0.948 77 D HN 0.330 nan 8.370 nan 0.000 0.472 78 I N -0.231 120.292 120.570 -0.079 0.000 2.500 78 I HA -0.035 4.136 4.170 0.001 0.000 0.252 78 I C 1.468 177.556 176.117 -0.049 0.000 1.142 78 I CA 0.908 62.173 61.300 -0.059 0.000 1.451 78 I CB 0.061 38.021 38.000 -0.068 0.000 1.093 78 I HN 0.103 nan 8.210 nan 0.000 0.430 79 G N 1.390 110.153 108.800 -0.063 0.000 2.141 79 G HA2 -0.186 3.775 3.960 0.001 0.000 0.195 79 G HA3 -0.186 3.775 3.960 0.001 0.000 0.195 79 G C -0.193 174.685 174.900 -0.036 0.000 1.012 79 G CA -0.472 44.600 45.100 -0.047 0.000 0.696 79 G HN 0.205 nan 8.290 nan 0.000 0.508 80 L N -0.059 121.131 121.223 -0.055 0.000 2.370 80 L HA 0.570 4.911 4.340 0.001 0.000 0.266 80 L C 0.539 177.380 176.870 -0.049 0.000 1.002 80 L CA -1.019 53.807 54.840 -0.023 0.000 0.818 80 L CB 2.033 44.090 42.059 -0.004 0.000 1.325 80 L HN 0.251 nan 8.230 nan 0.000 0.418 81 E N 1.645 121.855 120.200 0.018 0.000 2.376 81 E HA 0.297 4.647 4.350 0.001 0.000 0.266 81 E C -0.645 175.935 176.600 -0.033 0.000 1.009 81 E CA -0.315 56.088 56.400 0.004 0.000 0.902 81 E CB 1.020 30.764 29.700 0.074 0.000 0.972 81 E HN 0.598 nan 8.360 nan 0.000 0.439 82 A N 5.854 128.641 122.820 -0.053 0.000 2.322 82 A HA 0.372 4.692 4.320 0.001 0.000 0.327 82 A C -0.857 176.812 177.584 0.142 0.000 1.394 82 A CA -0.620 51.428 52.037 0.018 0.000 0.921 82 A CB 0.151 19.043 19.000 -0.180 0.000 1.153 82 A HN 0.533 nan 8.150 nan 0.000 0.523 83 L N 1.943 123.295 121.223 0.214 0.000 2.416 83 L HA 0.845 5.185 4.340 0.001 0.000 0.262 83 L C 1.010 178.066 176.870 0.310 0.000 1.093 83 L CA 1.001 55.951 54.840 0.184 0.000 0.801 83 L CB 1.005 43.124 42.059 0.100 0.000 1.191 83 L HN 1.181 nan 8.230 nan 0.000 0.459 84 G N 1.135 110.073 108.800 0.229 0.000 2.541 84 G HA2 0.008 3.968 3.960 0.001 0.000 0.686 84 G HA3 0.008 3.968 3.960 0.001 0.000 0.686 84 G C -1.031 173.927 174.900 0.096 0.000 1.286 84 G CA -0.687 44.585 45.100 0.285 0.000 0.894 84 G HN 0.563 nan 8.290 nan 0.000 0.575 85 M N 2.181 121.774 119.600 -0.010 0.000 2.266 85 M HA 0.333 4.814 4.480 0.001 0.000 0.340 85 M C 1.468 177.654 176.300 -0.191 0.000 1.486 85 M CA -0.487 54.635 55.300 -0.296 0.000 1.209 85 M CB 0.305 32.356 32.600 -0.914 0.000 1.714 85 M HN 0.604 nan 8.290 nan 0.000 0.459 86 D N 1.673 121.910 120.400 -0.272 0.000 2.323 86 D HA -0.061 4.579 4.640 0.001 0.000 0.209 86 D C -0.253 175.543 176.300 -0.840 0.000 0.973 86 D CA 0.322 54.024 54.000 -0.498 0.000 0.874 86 D CB -0.299 40.325 40.800 -0.294 0.000 0.930 86 D HN 0.542 nan 8.370 nan 0.000 0.521 87 D N -0.042 120.061 120.400 -0.494 0.000 2.422 87 D HA 0.026 4.666 4.640 0.001 0.000 0.227 87 D C 0.354 176.507 176.300 -0.244 0.000 1.190 87 D CA -0.575 53.201 54.000 -0.373 0.000 0.905 87 D CB -0.004 40.681 40.800 -0.191 0.000 1.034 87 D HN -0.146 nan 8.370 nan 0.000 0.507 88 F N 2.846 122.803 119.950 0.012 0.000 2.234 88 F HA -0.121 4.406 4.527 0.000 0.000 0.299 88 F C 2.409 178.209 175.800 -0.001 0.000 1.087 88 F CA 0.782 58.827 58.000 0.074 0.000 1.340 88 F CB -0.448 38.643 39.000 0.152 0.000 1.031 88 F HN 0.458 nan 8.300 nan 0.000 0.500 89 K N 0.818 121.287 120.400 0.114 0.000 2.148 89 K HA -0.117 4.204 4.320 0.001 0.000 0.204 89 K C 1.870 178.495 176.600 0.042 0.000 1.050 89 K CA 1.452 57.757 56.287 0.030 0.000 0.942 89 K CB -0.858 31.641 32.500 -0.002 0.000 0.724 89 K HN 0.313 nan 8.250 nan 0.000 0.446 90 L N 1.170 122.410 121.223 0.029 0.000 2.046 90 L HA -0.136 4.204 4.340 0.001 0.000 0.208 90 L C 2.915 179.896 176.870 0.185 0.000 1.077 90 L CA 1.303 56.184 54.840 0.069 0.000 0.747 90 L CB -0.800 41.272 42.059 0.022 0.000 0.896 90 L HN 0.324 nan 8.230 nan 0.000 0.432 91 A N -0.453 122.458 122.820 0.152 0.000 1.902 91 A HA -0.285 4.036 4.320 0.001 0.000 0.217 91 A C 2.214 179.906 177.584 0.179 0.000 1.181 91 A CA 1.571 53.799 52.037 0.319 0.000 0.623 91 A CB -0.917 18.328 19.000 0.408 0.000 0.818 91 A HN 0.469 nan 8.150 nan 0.000 0.443 92 Y N 0.622 120.743 120.300 -0.298 0.000 2.097 92 Y HA -0.230 4.321 4.550 0.001 0.000 0.282 92 Y C 2.025 177.810 175.900 -0.191 0.000 1.152 92 Y CA 2.085 59.825 58.100 -0.600 0.000 1.136 92 Y CB -0.358 37.620 38.460 -0.803 0.000 0.975 92 Y HN 0.215 nan 8.280 nan 0.000 0.498 93 L N -0.740 120.456 121.223 -0.045 0.000 2.042 93 L HA -0.281 4.059 4.340 0.001 0.000 0.210 93 L C 2.829 179.703 176.870 0.006 0.000 1.076 93 L CA 1.753 56.576 54.840 -0.029 0.000 0.749 93 L CB -0.922 41.074 42.059 -0.106 0.000 0.893 93 L HN 0.283 nan 8.230 nan 0.000 0.432 94 S N -0.508 115.229 115.700 0.061 0.000 2.382 94 S HA -0.194 4.277 4.470 0.001 0.000 0.228 94 S C 1.598 176.179 174.600 -0.032 0.000 1.027 94 S CA 1.589 59.819 58.200 0.050 0.000 0.991 94 S CB -0.147 63.152 63.200 0.165 0.000 0.823 94 S HN 0.401 nan 8.310 nan 0.000 0.469 95 D N 0.366 120.738 120.400 -0.047 0.000 2.123 95 D HA 0.007 4.647 4.640 0.001 0.000 0.200 95 D C 1.994 178.151 176.300 -0.237 0.000 0.976 95 D CA 1.357 55.311 54.000 -0.076 0.000 0.831 95 D CB -0.661 40.150 40.800 0.019 0.000 0.974 95 D HN 0.408 nan 8.370 nan 0.000 0.469 96 T N -0.767 113.508 114.554 -0.464 0.000 2.985 96 T HA -0.066 4.285 4.350 0.001 0.000 0.266 96 T C 0.368 174.512 174.700 -0.925 0.000 1.076 96 T CA 0.630 62.282 62.100 -0.746 0.000 1.135 96 T CB -0.024 68.175 68.868 -1.115 0.000 0.890 96 T HN 0.168 nan 8.240 nan 0.000 0.480 97 Y N 1.493 121.627 120.300 -0.277 0.000 2.638 97 Y HA 0.421 4.972 4.550 0.001 0.000 0.367 97 Y C 0.427 175.988 175.900 -0.565 0.000 1.001 97 Y CA -1.226 56.556 58.100 -0.529 0.000 1.133 97 Y CB -0.105 38.160 38.460 -0.326 0.000 1.199 97 Y HN -0.064 nan 8.280 nan 0.000 0.642 98 N N 2.519 121.040 118.700 -0.299 0.000 3.091 98 N HA 0.118 4.858 4.740 0.001 0.000 0.301 98 N C -1.445 174.103 175.510 0.064 0.000 1.325 98 N CA 0.001 52.998 53.050 -0.089 0.000 1.143 98 N CB -0.495 37.992 38.487 -0.001 0.000 1.450 98 N HN 0.505 nan 8.380 nan 0.000 0.542 99 Y N -2.938 117.411 120.300 0.082 0.000 2.741 99 Y HA 0.330 4.881 4.550 0.001 0.000 0.339 99 Y C -0.593 175.356 175.900 0.082 0.000 1.226 99 Y CA -1.445 56.697 58.100 0.070 0.000 1.072 99 Y CB 0.533 39.040 38.460 0.079 0.000 1.331 99 Y HN -0.109 nan 8.280 nan 0.000 0.453 100 E N 1.978 122.355 120.200 0.294 0.000 2.351 100 E HA 0.251 4.602 4.350 0.001 0.000 0.266 100 E C -0.787 175.992 176.600 0.298 0.000 1.031 100 E CA -0.246 56.269 56.400 0.192 0.000 0.911 100 E CB 0.443 30.223 29.700 0.133 0.000 0.986 100 E HN 0.568 nan 8.360 nan 0.000 0.446 101 I N 5.195 125.881 120.570 0.194 0.000 2.494 101 I HA -0.017 4.154 4.170 0.001 0.000 0.289 101 I C 0.164 176.345 176.117 0.107 0.000 1.106 101 I CA 0.264 61.673 61.300 0.182 0.000 1.369 101 I CB 0.317 38.349 38.000 0.053 0.000 1.410 101 I HN 0.260 nan 8.210 nan 0.000 0.523 102 K N 7.264 127.717 120.400 0.089 0.000 2.264 102 K HA 0.283 4.603 4.320 0.001 0.000 0.277 102 K C -0.778 175.672 176.600 -0.250 0.000 1.067 102 K CA -0.346 55.914 56.287 -0.044 0.000 0.900 102 K CB 0.527 33.017 32.500 -0.018 0.000 1.124 102 K HN 0.358 nan 8.250 nan 0.000 0.469 103 Y N -0.576 119.336 120.300 -0.647 0.000 2.496 103 Y HA 0.633 5.183 4.550 0.001 0.000 0.331 103 Y C -0.466 174.994 175.900 -0.732 0.000 1.140 103 Y CA -1.642 55.667 58.100 -1.318 0.000 1.166 103 Y CB 1.207 38.597 38.460 -1.783 0.000 1.249 103 Y HN 0.377 nan 8.280 nan 0.000 0.479 104 D N 1.092 121.092 120.400 -0.667 0.000 2.461 104 D HA 0.114 4.754 4.640 0.001 0.000 0.240 104 D C 0.513 176.769 176.300 -0.073 0.000 1.094 104 D CA -0.545 53.291 54.000 -0.273 0.000 0.868 104 D CB 0.126 40.900 40.800 -0.044 0.000 1.062 104 D HN 0.855 nan 8.370 nan 0.000 0.530 105 H N 0.963 119.997 119.070 -0.059 0.000 2.489 105 H HA -0.119 4.438 4.556 0.001 0.000 0.293 105 H C 1.393 176.798 175.328 0.129 0.000 1.066 105 H CA 1.897 58.027 56.048 0.136 0.000 1.305 105 H CB -0.374 29.468 29.762 0.134 0.000 1.386 105 H HN 0.283 nan 8.280 nan 0.000 0.551 106 T N -2.478 111.825 114.554 -0.418 0.000 3.113 106 T HA 0.020 4.371 4.350 0.001 0.000 0.263 106 T C 1.370 176.066 174.700 -0.006 0.000 1.143 106 T CA 0.416 62.400 62.100 -0.193 0.000 1.090 106 T CB -0.023 68.689 68.868 -0.259 0.000 0.922 106 T HN 0.261 nan 8.240 nan 0.000 0.521 107 K N 0.447 120.890 120.400 0.070 0.000 2.353 107 K HA 0.394 4.715 4.320 0.001 0.000 0.195 107 K C 0.337 177.021 176.600 0.139 0.000 1.031 107 K CA -0.068 56.283 56.287 0.106 0.000 1.079 107 K CB 0.551 33.144 32.500 0.155 0.000 0.857 107 K HN 0.478 nan 8.250 nan 0.000 0.535 108 I N 2.083 122.772 120.570 0.198 0.000 2.315 108 I HA 0.192 4.362 4.170 0.001 0.000 0.291 108 I C 0.456 176.654 176.117 0.135 0.000 1.006 108 I CA -0.623 60.799 61.300 0.203 0.000 1.265 108 I CB 0.986 39.160 38.000 0.290 0.000 1.387 108 I HN -0.188 nan 8.210 nan 0.000 0.475 109 R N 6.173 126.715 120.500 0.069 0.000 2.291 109 R HA 0.345 4.685 4.340 0.001 0.000 0.333 109 R C -1.175 175.149 176.300 0.040 0.000 1.082 109 R CA -0.277 55.836 56.100 0.021 0.000 0.948 109 R CB 0.421 30.683 30.300 -0.064 0.000 1.009 109 R HN 0.441 nan 8.270 nan 0.000 0.460 110 V N 4.225 124.192 119.914 0.088 0.000 2.350 110 V HA 0.451 4.572 4.120 0.001 0.000 0.276 110 V C 0.099 176.266 176.094 0.121 0.000 1.028 110 V CA -0.670 61.704 62.300 0.124 0.000 0.860 110 V CB 1.291 33.227 31.823 0.188 0.000 0.990 110 V HN 0.839 nan 8.190 nan 0.000 0.453 111 A N 5.105 127.971 122.820 0.077 0.000 2.318 111 A HA 0.658 4.978 4.320 0.001 0.000 0.324 111 A C -0.180 177.478 177.584 0.123 0.000 1.170 111 A CA -0.693 51.361 52.037 0.027 0.000 0.810 111 A CB 0.582 19.468 19.000 -0.190 0.000 1.198 111 A HN 0.785 nan 8.150 nan 0.000 0.484 112 N N 1.788 120.621 118.700 0.222 0.000 2.407 112 N HA 0.656 5.397 4.740 0.001 0.000 0.277 112 N C -1.469 174.284 175.510 0.404 0.000 0.995 112 N CA -0.044 53.206 53.050 0.332 0.000 0.903 112 N CB 1.928 40.610 38.487 0.324 0.000 1.218 112 N HN 0.638 nan 8.380 nan 0.000 0.487 113 F N 0.415 120.455 119.950 0.150 0.000 2.685 113 F HA 0.713 5.240 4.527 -0.001 0.000 0.315 113 F C -1.531 174.407 175.800 0.230 0.000 1.126 113 F CA -1.139 56.983 58.000 0.203 0.000 0.950 113 F CB 1.651 40.762 39.000 0.185 0.000 1.360 113 F HN 0.190 nan 8.300 nan 0.000 0.469 114 D N 0.732 121.092 120.400 -0.067 0.000 2.623 114 D HA 0.593 5.233 4.640 0.001 0.000 0.241 114 D C -1.472 174.785 176.300 -0.072 0.000 1.241 114 D CA -0.267 53.612 54.000 -0.201 0.000 0.788 114 D CB 2.483 43.280 40.800 -0.005 0.000 1.413 114 D HN 0.918 nan 8.370 nan 0.000 0.429 115 I N -1.600 118.939 120.570 -0.052 0.000 3.002 115 I HA 0.746 4.917 4.170 0.001 0.000 0.310 115 I C -0.905 175.231 176.117 0.031 0.000 1.087 115 I CA -0.685 60.615 61.300 0.000 0.000 1.017 115 I CB 2.385 40.361 38.000 -0.040 0.000 1.226 115 I HN 0.029 nan 8.210 nan 0.000 0.443 116 E N 3.398 123.596 120.200 -0.004 0.000 2.212 116 E HA 0.609 4.960 4.350 0.001 0.000 0.268 116 E C -1.292 175.339 176.600 0.051 0.000 0.902 116 E CA -0.783 55.607 56.400 -0.017 0.000 0.779 116 E CB 2.924 32.517 29.700 -0.179 0.000 1.172 116 E HN 0.521 nan 8.360 nan 0.000 0.409 117 V N 2.248 122.182 119.914 0.033 0.000 2.498 117 V HA 0.161 4.281 4.120 0.001 0.000 0.283 117 V C -0.136 175.957 176.094 -0.001 0.000 1.015 117 V CA -0.782 61.511 62.300 -0.012 0.000 0.867 117 V CB 1.751 33.406 31.823 -0.279 0.000 1.025 117 V HN 0.596 nan 8.190 nan 0.000 0.441 118 T N 3.314 117.908 114.554 0.067 0.000 2.853 118 T HA 0.250 4.600 4.350 0.001 0.000 0.298 118 T C 0.327 174.849 174.700 -0.296 0.000 0.978 118 T CA 0.563 62.623 62.100 -0.068 0.000 1.152 118 T CB 0.781 69.622 68.868 -0.046 0.000 0.914 118 T HN 0.697 nan 8.240 nan 0.000 0.539 119 S N 4.072 119.506 115.700 -0.444 0.000 2.779 119 S HA 0.431 4.901 4.470 0.001 0.000 0.293 119 S C -1.905 172.364 174.600 -0.552 0.000 1.150 119 S CA -1.475 56.264 58.200 -0.768 0.000 1.057 119 S CB 1.313 64.138 63.200 -0.625 0.000 1.021 119 S HN 0.454 nan 8.310 nan 0.000 0.485 120 P HA 0.152 nan 4.420 nan 0.000 0.241 120 P C -0.375 176.827 177.300 -0.164 0.000 1.191 120 P CA 0.478 63.374 63.100 -0.339 0.000 0.771 120 P CB -0.268 31.218 31.700 -0.358 0.000 0.929 121 D N -1.105 119.209 120.400 -0.143 0.000 2.938 121 D HA 0.463 5.103 4.640 0.001 0.000 0.369 121 D C 0.581 176.906 176.300 0.042 0.000 1.301 121 D CA -0.679 53.320 54.000 -0.001 0.000 0.805 121 D CB 0.054 40.904 40.800 0.085 0.000 1.161 121 D HN 0.147 nan 8.370 nan 0.000 0.474 122 G N 0.221 109.034 108.800 0.021 0.000 2.756 122 G HA2 -0.134 3.827 3.960 0.001 0.000 0.678 122 G HA3 -0.134 3.827 3.960 0.001 0.000 0.678 122 G C -0.459 174.517 174.900 0.126 0.000 1.349 122 G CA -0.966 44.191 45.100 0.095 0.000 0.847 122 G HN 0.390 nan 8.290 nan 0.000 0.548 123 F N 2.607 122.585 119.950 0.047 0.000 2.604 123 F HA 0.365 4.889 4.527 -0.004 0.000 0.390 123 F C -0.770 175.119 175.800 0.148 0.000 1.053 123 F CA -0.007 58.031 58.000 0.064 0.000 1.256 123 F CB 0.548 39.588 39.000 0.067 0.000 0.996 123 F HN 0.352 nan 8.300 nan 0.000 0.564 124 P HA 0.049 nan 4.420 nan 0.000 0.277 124 P C -1.001 176.426 177.300 0.211 0.000 1.354 124 P CA -0.123 63.012 63.100 0.059 0.000 0.891 124 P CB 0.601 32.310 31.700 0.015 0.000 1.058 125 E N 5.260 125.693 120.200 0.388 0.000 2.299 125 E HA 0.056 4.407 4.350 0.001 0.000 0.272 125 E C -1.544 175.266 176.600 0.349 0.000 1.043 125 E CA -1.671 54.989 56.400 0.433 0.000 0.895 125 E CB 0.518 30.412 29.700 0.324 0.000 1.011 125 E HN 0.335 nan 8.360 nan 0.000 0.432 126 P HA -0.160 nan 4.420 nan 0.000 0.218 126 P C 1.372 178.665 177.300 -0.012 0.000 1.149 126 P CA 1.290 64.484 63.100 0.156 0.000 0.817 126 P CB 0.212 32.030 31.700 0.196 0.000 0.785 127 S N -1.361 114.381 115.700 0.070 0.000 2.447 127 S HA -0.167 4.303 4.470 0.001 0.000 0.233 127 S C 1.910 176.504 174.600 -0.010 0.000 1.006 127 S CA 0.961 59.181 58.200 0.032 0.000 0.957 127 S CB -0.896 62.342 63.200 0.063 0.000 0.773 127 S HN 0.231 nan 8.310 nan 0.000 0.507 128 Q N 0.680 120.473 119.800 -0.011 0.000 2.287 128 Q HA 0.463 4.804 4.340 0.001 0.000 0.201 128 Q C 1.085 176.998 176.000 -0.146 0.000 0.946 128 Q CA 0.369 56.145 55.803 -0.046 0.000 0.868 128 Q CB -0.211 28.530 28.738 0.006 0.000 0.967 128 Q HN 0.672 nan 8.270 nan 0.000 0.516 129 A N 2.112 124.789 122.820 -0.239 0.000 2.560 129 A HA -0.267 4.053 4.320 0.001 0.000 0.299 129 A C 0.924 178.364 177.584 -0.240 0.000 1.484 129 A CA 1.351 53.071 52.037 -0.528 0.000 0.749 129 A CB -1.727 16.807 19.000 -0.777 0.000 1.072 129 A HN 0.538 nan 8.150 nan 0.000 0.426 130 K N -0.784 119.517 120.400 -0.166 0.000 2.404 130 K HA 0.178 4.498 4.320 0.001 0.000 0.194 130 K C 0.158 176.590 176.600 -0.279 0.000 1.023 130 K CA 0.634 56.772 56.287 -0.250 0.000 1.094 130 K CB 0.131 32.449 32.500 -0.303 0.000 0.841 130 K HN 0.810 nan 8.250 nan 0.000 0.523 131 H N 1.065 120.284 119.070 0.248 0.000 2.569 131 H HA 0.340 4.899 4.556 0.005 0.000 0.357 131 H C -2.682 172.832 175.328 0.310 0.000 1.153 131 H CA -2.373 53.863 56.048 0.313 0.000 1.193 131 H CB 1.400 31.337 29.762 0.291 0.000 1.602 131 H HN -0.091 nan 8.280 nan 0.000 0.523 132 P HA -0.010 nan 4.420 nan 0.000 0.265 132 P C -0.225 177.218 177.300 0.238 0.000 1.193 132 P CA 0.206 63.449 63.100 0.238 0.000 0.765 132 P CB 0.510 32.311 31.700 0.168 0.000 0.823 133 I N 3.603 124.292 120.570 0.198 0.000 2.494 133 I HA -0.012 4.158 4.170 0.001 0.000 0.289 133 I C 0.924 177.119 176.117 0.130 0.000 1.106 133 I CA 0.488 61.865 61.300 0.127 0.000 1.369 133 I CB 0.333 38.386 38.000 0.089 0.000 1.410 133 I HN 0.420 nan 8.210 nan 0.000 0.523 134 D N 4.474 124.976 120.400 0.169 0.000 2.398 134 D HA 0.348 4.988 4.640 0.001 0.000 0.210 134 D C 0.090 176.553 176.300 0.272 0.000 1.094 134 D CA -0.129 54.009 54.000 0.230 0.000 0.839 134 D CB 0.666 41.626 40.800 0.267 0.000 0.963 134 D HN 0.404 nan 8.370 nan 0.000 0.506 135 A N 0.235 123.169 122.820 0.189 0.000 2.555 135 A HA 0.630 4.950 4.320 0.001 0.000 0.297 135 A C -1.655 175.987 177.584 0.097 0.000 1.060 135 A CA -0.793 51.341 52.037 0.162 0.000 0.710 135 A CB 0.943 20.002 19.000 0.098 0.000 1.282 135 A HN 0.139 nan 8.150 nan 0.000 0.399 136 I N 1.669 122.334 120.570 0.158 0.000 2.534 136 I HA 0.442 4.612 4.170 0.001 0.000 0.288 136 I C -0.494 175.836 176.117 0.355 0.000 1.077 136 I CA -0.417 60.981 61.300 0.163 0.000 1.051 136 I CB 2.706 40.647 38.000 -0.099 0.000 1.234 136 I HN 0.569 nan 8.210 nan 0.000 0.425 137 T N 3.641 118.400 114.554 0.342 0.000 2.779 137 T HA 0.357 4.707 4.350 0.001 0.000 0.280 137 T C -0.917 174.157 174.700 0.623 0.000 0.987 137 T CA -0.442 61.924 62.100 0.444 0.000 0.966 137 T CB 0.711 69.766 68.868 0.311 0.000 0.933 137 T HN 0.543 nan 8.240 nan 0.000 0.442 138 H N 2.210 121.654 119.070 0.623 0.000 2.823 138 H HA 0.455 5.011 4.556 0.000 0.000 0.332 138 H C -1.631 174.059 175.328 0.603 0.000 0.980 138 H CA -0.910 55.545 56.048 0.679 0.000 1.286 138 H CB 0.733 30.961 29.762 0.776 0.000 1.541 138 H HN 0.692 nan 8.280 nan 0.000 0.521 139 Y N 5.140 125.710 120.300 0.450 0.000 2.326 139 Y HA 0.225 4.775 4.550 0.000 0.000 0.337 139 Y C -0.801 175.268 175.900 0.282 0.000 1.023 139 Y CA -0.563 57.641 58.100 0.174 0.000 1.143 139 Y CB 0.935 39.255 38.460 -0.234 0.000 1.183 139 Y HN 0.651 nan 8.280 nan 0.000 0.485 140 D N 3.578 123.745 120.400 -0.388 0.000 2.256 140 D HA 0.097 4.737 4.640 0.001 0.000 0.240 140 D C 0.401 176.297 176.300 -0.674 0.000 1.062 140 D CA -0.017 53.842 54.000 -0.235 0.000 0.832 140 D CB 1.901 42.751 40.800 0.083 0.000 1.135 140 D HN 0.757 nan 8.370 nan 0.000 0.484 141 S N 3.205 118.746 115.700 -0.265 0.000 2.489 141 S HA -0.020 4.450 4.470 0.001 0.000 0.228 141 S C 1.935 176.529 174.600 -0.010 0.000 0.995 141 S CA 0.116 58.287 58.200 -0.049 0.000 0.934 141 S CB -0.019 63.302 63.200 0.202 0.000 0.771 141 S HN 0.608 nan 8.310 nan 0.000 0.522 142 I N 1.741 122.289 120.570 -0.037 0.000 2.400 142 I HA -0.045 4.126 4.170 0.001 0.000 0.248 142 I C 1.664 177.777 176.117 -0.007 0.000 1.109 142 I CA 1.060 62.358 61.300 -0.003 0.000 1.425 142 I CB -0.201 37.791 38.000 -0.012 0.000 1.094 142 I HN 0.189 nan 8.210 nan 0.000 0.425 143 D N 0.295 120.682 120.400 -0.022 0.000 2.277 143 D HA -0.145 4.496 4.640 0.001 0.000 0.208 143 D C 0.537 176.821 176.300 -0.027 0.000 0.962 143 D CA 0.908 54.919 54.000 0.018 0.000 0.865 143 D CB -0.370 40.513 40.800 0.138 0.000 0.939 143 D HN 0.191 nan 8.370 nan 0.000 0.510 144 D N 0.237 120.561 120.400 -0.127 0.000 2.689 144 D HA -0.184 4.456 4.640 0.001 0.000 0.237 144 D C -0.918 175.353 176.300 -0.048 0.000 1.148 144 D CA 0.562 54.526 54.000 -0.061 0.000 0.656 144 D CB -0.376 40.492 40.800 0.114 0.000 1.050 144 D HN 0.037 nan 8.370 nan 0.000 0.426 145 R N 0.296 120.623 120.500 -0.287 0.000 2.673 145 R HA 0.435 4.776 4.340 0.001 0.000 0.281 145 R C -0.602 175.543 176.300 -0.258 0.000 0.991 145 R CA -0.682 55.293 56.100 -0.208 0.000 0.896 145 R CB 0.665 30.725 30.300 -0.399 0.000 1.201 145 R HN 0.004 nan 8.270 nan 0.000 0.457 146 F N 2.629 122.592 119.950 0.021 0.000 2.390 146 F HA 0.333 4.861 4.527 0.000 0.000 0.361 146 F C 0.144 175.921 175.800 -0.039 0.000 1.124 146 F CA -0.469 57.631 58.000 0.166 0.000 1.149 146 F CB 0.481 39.589 39.000 0.180 0.000 1.160 146 F HN 0.289 nan 8.300 nan 0.000 0.501 147 Y N 2.651 123.130 120.300 0.299 0.000 2.383 147 Y HA 0.461 5.012 4.550 0.001 0.000 0.344 147 Y C -0.062 175.880 175.900 0.071 0.000 0.986 147 Y CA -0.837 57.295 58.100 0.053 0.000 1.175 147 Y CB 0.799 39.163 38.460 -0.160 0.000 1.152 147 Y HN 0.195 nan 8.280 nan 0.000 0.511 148 V N 5.454 125.379 119.914 0.020 0.000 2.370 148 V HA 0.328 4.449 4.120 0.001 0.000 0.283 148 V C -0.657 175.363 176.094 -0.124 0.000 1.023 148 V CA -0.989 61.350 62.300 0.065 0.000 0.857 148 V CB 0.486 32.337 31.823 0.048 0.000 0.985 148 V HN 0.435 nan 8.190 nan 0.000 0.443 149 F N 2.996 123.027 119.950 0.134 0.000 2.402 149 F HA 0.572 5.100 4.527 0.003 0.000 0.355 149 F C 0.023 175.944 175.800 0.201 0.000 1.123 149 F CA -0.698 57.429 58.000 0.213 0.000 1.021 149 F CB 1.518 40.616 39.000 0.163 0.000 1.160 149 F HN 0.448 nan 8.300 nan 0.000 0.451 150 D N 3.747 124.370 120.400 0.370 0.000 2.593 150 D HA 0.302 4.943 4.640 0.001 0.000 0.251 150 D C -1.508 175.023 176.300 0.385 0.000 1.140 150 D CA -0.532 53.682 54.000 0.356 0.000 0.855 150 D CB 1.681 42.721 40.800 0.400 0.000 1.267 150 D HN 0.375 nan 8.370 nan 0.000 0.532 151 L N 5.067 126.504 121.223 0.357 0.000 2.278 151 L HA 0.325 4.665 4.340 0.001 0.000 0.287 151 L C 0.410 177.393 176.870 0.189 0.000 1.072 151 L CA -0.005 55.001 54.840 0.277 0.000 0.819 151 L CB 0.661 42.849 42.059 0.217 0.000 1.176 151 L HN 0.620 nan 8.230 nan 0.000 0.435 152 L N 3.470 124.773 121.223 0.134 0.000 2.202 152 L HA 0.167 4.507 4.340 0.001 0.000 0.205 152 L C 0.233 177.102 176.870 -0.001 0.000 1.083 152 L CA 0.286 55.138 54.840 0.020 0.000 0.790 152 L CB -0.218 41.864 42.059 0.039 0.000 0.942 152 L HN 0.613 nan 8.230 nan 0.000 0.452 153 N N 0.322 119.047 118.700 0.041 0.000 2.417 153 N HA 0.313 5.053 4.740 0.001 0.000 0.274 153 N C -0.993 174.527 175.510 0.017 0.000 0.987 153 N CA 0.134 53.195 53.050 0.019 0.000 0.912 153 N CB 2.150 40.650 38.487 0.022 0.000 1.177 153 N HN -0.124 nan 8.380 nan 0.000 0.490 154 S N 1.515 117.209 115.700 -0.010 0.000 2.546 154 S HA 0.505 4.975 4.470 0.001 0.000 0.274 154 S C -2.069 172.463 174.600 -0.113 0.000 1.121 154 S CA -1.430 56.747 58.200 -0.038 0.000 0.887 154 S CB 1.485 64.700 63.200 0.025 0.000 1.094 154 S HN 0.212 nan 8.310 nan 0.000 0.474 155 P HA -0.040 nan 4.420 nan 0.000 0.223 155 P C 0.125 177.211 177.300 -0.357 0.000 1.144 155 P CA 1.123 64.005 63.100 -0.364 0.000 0.783 155 P CB -0.159 31.198 31.700 -0.571 0.000 0.771 156 Y N -0.384 119.923 120.300 0.013 0.000 2.485 156 Y HA 0.533 5.081 4.550 -0.002 0.000 0.260 156 Y C 1.486 177.371 175.900 -0.026 0.000 1.173 156 Y CA -0.155 57.943 58.100 -0.005 0.000 1.252 156 Y CB 0.123 38.578 38.460 -0.009 0.000 1.123 156 Y HN -0.055 nan 8.280 nan 0.000 0.524 157 G N 0.161 108.996 108.800 0.059 0.000 2.318 157 G HA2 0.028 3.988 3.960 0.001 0.000 0.302 157 G HA3 0.028 3.988 3.960 0.001 0.000 0.302 157 G C -1.738 173.153 174.900 -0.016 0.000 1.633 157 G CA -1.304 43.806 45.100 0.017 0.000 0.965 157 G HN -0.044 nan 8.290 nan 0.000 0.698 158 N N -0.253 118.431 118.700 -0.026 0.000 2.421 158 N HA 0.724 5.464 4.740 0.001 0.000 0.285 158 N C 0.275 175.744 175.510 -0.068 0.000 1.027 158 N CA -0.273 52.753 53.050 -0.041 0.000 0.918 158 N CB 2.110 40.583 38.487 -0.023 0.000 1.152 158 N HN 1.211 nan 8.380 nan 0.000 0.485 159 V N -1.315 118.524 119.914 -0.125 0.000 3.102 159 V HA 0.636 4.757 4.120 0.001 0.000 0.312 159 V C 0.101 176.111 176.094 -0.141 0.000 1.135 159 V CA -0.974 61.215 62.300 -0.185 0.000 1.022 159 V CB 1.958 33.505 31.823 -0.459 0.000 1.056 159 V HN 0.282 nan 8.190 nan 0.000 0.436 160 E N 0.795 120.955 120.200 -0.066 0.000 2.342 160 E HA 0.365 4.716 4.350 0.001 0.000 0.257 160 E C 0.001 176.661 176.600 0.100 0.000 1.150 160 E CA -0.394 56.016 56.400 0.016 0.000 0.926 160 E CB 0.414 30.135 29.700 0.035 0.000 1.074 160 E HN 0.818 nan 8.360 nan 0.000 0.449 161 E N 0.469 120.764 120.200 0.159 0.000 2.415 161 E HA -0.036 4.314 4.350 0.001 0.000 0.262 161 E C -0.595 176.180 176.600 0.291 0.000 1.038 161 E CA -0.020 56.558 56.400 0.298 0.000 0.921 161 E CB 0.444 30.296 29.700 0.254 0.000 0.950 161 E HN 0.375 nan 8.360 nan 0.000 0.438 162 W N 2.912 124.280 121.300 0.114 0.000 2.190 162 W HA 0.064 4.725 4.660 0.002 0.000 0.330 162 W C -0.186 176.152 176.519 -0.302 0.000 1.299 162 W CA -0.153 57.105 57.345 -0.145 0.000 1.215 162 W CB 0.827 30.099 29.460 -0.315 0.000 1.147 162 W HN 0.203 nan 8.180 nan 0.000 0.563 163 S N 6.857 121.980 115.700 -0.963 0.000 2.433 163 S HA 0.241 4.712 4.470 0.001 0.000 0.310 163 S C 0.586 174.312 174.600 -1.457 0.000 1.097 163 S CA -0.791 56.848 58.200 -0.935 0.000 1.103 163 S CB 0.760 63.674 63.200 -0.477 0.000 0.992 163 S HN 0.701 nan 8.310 nan 0.000 0.469 164 I N 4.139 123.924 120.570 -1.308 0.000 2.676 164 I HA -0.033 4.138 4.170 0.001 0.000 0.259 164 I C 1.576 177.391 176.117 -0.504 0.000 1.194 164 I CA 1.190 61.876 61.300 -1.023 0.000 1.473 164 I CB 0.178 37.849 38.000 -0.548 0.000 1.096 164 I HN 0.678 nan 8.210 nan 0.000 0.443 165 E N 0.757 120.712 120.200 -0.408 0.000 2.072 165 E HA -0.128 4.223 4.350 0.001 0.000 0.190 165 E C 2.039 178.500 176.600 -0.232 0.000 0.982 165 E CA 1.277 57.527 56.400 -0.251 0.000 0.803 165 E CB -0.135 29.449 29.700 -0.194 0.000 0.755 165 E HN 0.485 nan 8.360 nan 0.000 0.453 166 I N 0.605 121.000 120.570 -0.292 0.000 2.353 166 I HA -0.209 3.962 4.170 0.001 0.000 0.248 166 I C 2.242 178.241 176.117 -0.196 0.000 1.119 166 I CA 0.871 62.037 61.300 -0.224 0.000 1.417 166 I CB -0.223 37.642 38.000 -0.224 0.000 1.078 166 I HN 0.087 nan 8.210 nan 0.000 0.421 167 A N 0.732 123.383 122.820 -0.281 0.000 1.940 167 A HA -0.170 4.151 4.320 0.001 0.000 0.219 167 A C 2.477 180.035 177.584 -0.043 0.000 1.176 167 A CA 1.889 53.865 52.037 -0.101 0.000 0.631 167 A CB -0.712 18.298 19.000 0.017 0.000 0.814 167 A HN 0.433 nan 8.150 nan 0.000 0.446 168 A N -0.433 122.334 122.820 -0.089 0.000 2.016 168 A HA 0.068 4.388 4.320 0.001 0.000 0.217 168 A C 1.213 178.771 177.584 -0.043 0.000 1.162 168 A CA 0.583 52.586 52.037 -0.057 0.000 0.662 168 A CB -0.170 18.786 19.000 -0.074 0.000 0.812 168 A HN 0.531 nan 8.150 nan 0.000 0.450 169 K N 0.206 120.573 120.400 -0.054 0.000 2.295 169 K HA 0.374 4.695 4.320 0.001 0.000 0.270 169 K C -0.460 176.129 176.600 -0.019 0.000 1.011 169 K CA -0.393 55.870 56.287 -0.040 0.000 0.953 169 K CB 0.557 33.027 32.500 -0.050 0.000 0.956 169 K HN 0.301 nan 8.250 nan 0.000 0.477 170 L N 2.993 124.208 121.223 -0.013 0.000 2.573 170 L HA -0.175 4.165 4.340 0.001 0.000 0.290 170 L C 1.935 178.809 176.870 0.006 0.000 1.247 170 L CA 0.349 55.188 54.840 -0.001 0.000 0.876 170 L CB 0.066 42.122 42.059 -0.005 0.000 1.123 170 L HN 0.686 nan 8.230 nan 0.000 0.505 171 Q N 1.669 121.483 119.800 0.023 0.000 2.135 171 Q HA -0.226 4.114 4.340 0.001 0.000 0.204 171 Q C 1.552 177.564 176.000 0.021 0.000 0.981 171 Q CA 1.754 57.578 55.803 0.034 0.000 0.856 171 Q CB 0.064 28.838 28.738 0.061 0.000 0.902 171 Q HN 0.628 nan 8.270 nan 0.000 0.425 172 E N 0.475 120.684 120.200 0.014 0.000 2.401 172 E HA -0.152 4.199 4.350 0.001 0.000 0.199 172 E C 1.117 177.717 176.600 0.000 0.000 1.023 172 E CA 0.714 57.119 56.400 0.007 0.000 0.859 172 E CB 0.041 29.743 29.700 0.003 0.000 0.780 172 E HN 0.248 nan 8.360 nan 0.000 0.523 173 Q N -0.907 118.891 119.800 -0.004 0.000 2.172 173 Q HA 0.160 4.500 4.340 0.001 0.000 0.217 173 Q C 0.341 176.332 176.000 -0.015 0.000 0.832 173 Q CA 0.359 56.155 55.803 -0.011 0.000 1.010 173 Q CB 0.526 29.254 28.738 -0.017 0.000 1.133 173 Q HN 0.330 nan 8.270 nan 0.000 0.489 174 G N -0.545 108.250 108.800 -0.009 0.000 2.176 174 G HA2 -0.244 3.717 3.960 0.001 0.000 0.253 174 G HA3 -0.244 3.717 3.960 0.001 0.000 0.253 174 G C 0.334 175.220 174.900 -0.023 0.000 0.979 174 G CA -0.071 45.022 45.100 -0.013 0.000 0.641 174 G HN 0.557 nan 8.290 nan 0.000 0.530 175 G N -0.903 107.883 108.800 -0.023 0.000 2.531 175 G HA2 0.515 4.475 3.960 0.001 0.000 0.281 175 G HA3 0.515 4.475 3.960 0.001 0.000 0.281 175 G C 0.280 175.176 174.900 -0.008 0.000 1.382 175 G CA 0.539 45.619 45.100 -0.033 0.000 1.045 175 G HN 0.073 nan 8.290 nan 0.000 0.533 176 D N -0.952 119.450 120.400 0.003 0.000 2.441 176 D HA 0.089 4.730 4.640 0.001 0.000 0.210 176 D C 0.399 176.764 176.300 0.109 0.000 1.102 176 D CA 0.024 54.056 54.000 0.053 0.000 0.840 176 D CB 0.635 41.453 40.800 0.031 0.000 0.990 176 D HN 0.629 nan 8.370 nan 0.000 0.505 177 E N 0.498 120.733 120.200 0.059 0.000 2.440 177 E HA -0.159 4.191 4.350 0.001 0.000 0.246 177 E C -0.497 176.139 176.600 0.060 0.000 1.165 177 E CA -0.149 56.281 56.400 0.051 0.000 0.726 177 E CB -0.991 28.742 29.700 0.055 0.000 1.271 177 E HN 0.049 nan 8.360 nan 0.000 0.397 178 V N 1.226 121.175 119.914 0.059 0.000 2.509 178 V HA -0.009 4.111 4.120 0.001 0.000 0.297 178 V C -1.635 174.448 176.094 -0.019 0.000 1.014 178 V CA -0.368 61.950 62.300 0.031 0.000 1.127 178 V CB 0.099 31.950 31.823 0.046 0.000 0.925 178 V HN 0.135 nan 8.190 nan 0.000 0.480 179 P HA 0.003 nan 4.420 nan 0.000 0.263 179 P C 0.979 178.227 177.300 -0.087 0.000 1.175 179 P CA 0.380 63.460 63.100 -0.034 0.000 0.761 179 P CB 0.493 32.203 31.700 0.017 0.000 0.794 180 S N 2.733 118.406 115.700 -0.045 0.000 2.400 180 S HA -0.217 4.253 4.470 0.001 0.000 0.232 180 S C 1.383 175.952 174.600 -0.052 0.000 1.025 180 S CA 1.170 59.344 58.200 -0.043 0.000 0.993 180 S CB -0.762 62.424 63.200 -0.023 0.000 0.808 180 S HN 0.643 nan 8.310 nan 0.000 0.478 181 E N 2.166 122.334 120.200 -0.053 0.000 2.516 181 E HA -0.044 4.307 4.350 0.001 0.000 0.199 181 E C 1.642 178.189 176.600 -0.089 0.000 1.069 181 E CA 0.791 57.170 56.400 -0.036 0.000 0.876 181 E CB -0.489 29.223 29.700 0.019 0.000 0.843 181 E HN 0.940 nan 8.360 nan 0.000 0.530 182 I N -3.683 116.766 120.570 -0.201 0.000 4.327 182 I HA 0.151 4.321 4.170 0.001 0.000 0.331 182 I C 1.643 177.668 176.117 -0.155 0.000 1.348 182 I CA -0.484 60.673 61.300 -0.239 0.000 1.152 182 I CB 0.090 37.681 38.000 -0.681 0.000 1.151 182 I HN -0.237 nan 8.210 nan 0.000 0.410 183 I N 2.701 123.206 120.570 -0.108 0.000 2.151 183 I HA -0.258 3.913 4.170 0.001 0.000 0.243 183 I C 1.591 177.711 176.117 0.003 0.000 1.080 183 I CA 1.817 63.091 61.300 -0.043 0.000 1.339 183 I CB -0.974 37.003 38.000 -0.038 0.000 1.039 183 I HN 0.352 nan 8.210 nan 0.000 0.409 184 D N 0.532 120.938 120.400 0.010 0.000 2.378 184 D HA -0.078 4.563 4.640 0.001 0.000 0.227 184 D C 1.708 178.044 176.300 0.060 0.000 1.012 184 D CA 0.656 54.675 54.000 0.032 0.000 0.905 184 D CB 0.015 40.832 40.800 0.028 0.000 0.895 184 D HN 0.406 nan 8.370 nan 0.000 0.532 185 K N -0.268 120.186 120.400 0.090 0.000 2.358 185 K HA 0.224 4.544 4.320 0.001 0.000 0.200 185 K C 0.377 177.098 176.600 0.203 0.000 1.030 185 K CA -0.171 56.219 56.287 0.172 0.000 1.097 185 K CB 1.332 34.020 32.500 0.314 0.000 0.862 185 K HN 0.054 nan 8.250 nan 0.000 0.534 186 I N 1.853 122.501 120.570 0.130 0.000 2.395 186 I HA 0.149 4.320 4.170 0.001 0.000 0.289 186 I C -0.144 176.015 176.117 0.070 0.000 1.023 186 I CA -0.317 61.056 61.300 0.122 0.000 1.350 186 I CB 0.927 39.001 38.000 0.123 0.000 1.409 186 I HN -0.082 nan 8.210 nan 0.000 0.507 187 I N 7.485 128.044 120.570 -0.018 0.000 2.405 187 I HA 0.182 4.353 4.170 0.001 0.000 0.280 187 I C -0.868 175.267 176.117 0.030 0.000 1.027 187 I CA -0.635 60.645 61.300 -0.034 0.000 1.161 187 I CB 0.668 38.547 38.000 -0.201 0.000 1.300 187 I HN 0.438 nan 8.210 nan 0.000 0.463 188 Y N 7.913 128.207 120.300 -0.010 0.000 2.308 188 Y HA 0.660 5.210 4.550 0.001 0.000 0.329 188 Y C -0.643 175.216 175.900 -0.068 0.000 1.111 188 Y CA -0.817 57.279 58.100 -0.007 0.000 1.179 188 Y CB 1.179 39.752 38.460 0.188 0.000 1.201 188 Y HN 0.454 nan 8.280 nan 0.000 0.483 189 M N 9.780 128.888 119.600 -0.821 0.000 2.060 189 M HA 0.317 4.797 4.480 0.001 0.000 0.275 189 M C -2.725 173.002 176.300 -0.955 0.000 0.919 189 M CA -1.784 53.039 55.300 -0.795 0.000 0.970 189 M CB 2.013 34.268 32.600 -0.574 0.000 1.670 189 M HN 0.420 nan 8.290 nan 0.000 0.440 190 P HA 0.492 nan 4.420 nan 0.000 0.276 190 P C -1.266 175.630 177.300 -0.673 0.000 1.244 190 P CA -0.143 62.636 63.100 -0.534 0.000 0.801 190 P CB 0.862 32.423 31.700 -0.232 0.000 1.006 191 F N -0.142 119.819 119.950 0.018 0.000 2.581 191 F HA 0.231 4.759 4.527 0.003 0.000 0.311 191 F C 1.061 176.892 175.800 0.052 0.000 1.113 191 F CA -0.422 57.607 58.000 0.048 0.000 0.935 191 F CB 1.839 40.890 39.000 0.085 0.000 1.232 191 F HN 0.139 nan 8.300 nan 0.000 0.445 192 D N 0.924 121.461 120.400 0.227 0.000 2.323 192 D HA 0.018 4.659 4.640 0.001 0.000 0.209 192 D C -0.289 176.090 176.300 0.132 0.000 0.973 192 D CA 0.906 54.988 54.000 0.137 0.000 0.874 192 D CB 0.014 40.869 40.800 0.093 0.000 0.930 192 D HN 0.638 nan 8.370 nan 0.000 0.521 193 N N -1.523 117.281 118.700 0.173 0.000 2.405 193 N HA 0.068 4.809 4.740 0.001 0.000 0.274 193 N C 0.186 175.752 175.510 0.093 0.000 1.170 193 N CA -0.723 52.392 53.050 0.109 0.000 0.848 193 N CB 1.743 40.274 38.487 0.074 0.000 1.629 193 N HN -0.320 nan 8.380 nan 0.000 0.481 194 E N 0.665 120.895 120.200 0.050 0.000 2.110 194 E HA -0.188 4.162 4.350 0.001 0.000 0.193 194 E C 0.707 177.316 176.600 0.014 0.000 0.988 194 E CA 1.217 57.630 56.400 0.023 0.000 0.804 194 E CB 0.103 29.815 29.700 0.019 0.000 0.745 194 E HN 0.587 nan 8.360 nan 0.000 0.458 195 K N 0.321 120.743 120.400 0.037 0.000 2.032 195 K HA -0.190 4.130 4.320 0.001 0.000 0.209 195 K C 2.163 178.865 176.600 0.169 0.000 1.048 195 K CA 1.645 58.022 56.287 0.150 0.000 0.927 195 K CB -0.089 32.473 32.500 0.103 0.000 0.712 195 K HN 0.116 nan 8.250 nan 0.000 0.441 196 E N 1.031 121.274 120.200 0.072 0.000 2.072 196 E HA -0.144 4.207 4.350 0.001 0.000 0.191 196 E C 1.975 178.394 176.600 -0.302 0.000 0.985 196 E CA 0.612 57.029 56.400 0.029 0.000 0.801 196 E CB -0.013 29.797 29.700 0.183 0.000 0.750 196 E HN 0.188 nan 8.360 nan 0.000 0.452 197 L N 0.525 121.384 121.223 -0.606 0.000 1.989 197 L HA -0.238 4.102 4.340 0.001 0.000 0.211 197 L C 2.081 178.701 176.870 -0.416 0.000 1.071 197 L CA 1.377 55.584 54.840 -1.056 0.000 0.749 197 L CB -0.099 41.615 42.059 -0.576 0.000 0.890 197 L HN 0.199 nan 8.230 nan 0.000 0.431 198 L N -1.207 119.930 121.223 -0.143 0.000 2.093 198 L HA -0.219 4.122 4.340 0.001 0.000 0.208 198 L C 2.639 179.484 176.870 -0.042 0.000 1.085 198 L CA 1.153 55.990 54.840 -0.004 0.000 0.755 198 L CB -0.368 41.801 42.059 0.182 0.000 0.904 198 L HN 0.361 nan 8.230 nan 0.000 0.435 199 M N -0.449 119.103 119.600 -0.080 0.000 2.067 199 M HA -0.247 4.234 4.480 0.001 0.000 0.260 199 M C 2.268 178.531 176.300 -0.062 0.000 1.069 199 M CA 1.789 56.989 55.300 -0.167 0.000 1.117 199 M CB -0.259 32.274 32.600 -0.112 0.000 1.334 199 M HN 0.128 nan 8.290 nan 0.000 0.407 200 E N -0.216 119.983 120.200 -0.002 0.000 2.110 200 E HA -0.226 4.125 4.350 0.001 0.000 0.193 200 E C 1.717 178.437 176.600 0.201 0.000 0.988 200 E CA 1.439 57.926 56.400 0.145 0.000 0.804 200 E CB -0.298 29.569 29.700 0.278 0.000 0.745 200 E HN 0.472 nan 8.360 nan 0.000 0.458 201 Y N 0.450 120.694 120.300 -0.094 0.000 2.145 201 Y HA -0.152 4.398 4.550 0.000 0.000 0.286 201 Y C 1.849 177.761 175.900 0.020 0.000 1.145 201 Y CA 1.707 59.651 58.100 -0.260 0.000 1.148 201 Y CB -0.291 37.823 38.460 -0.578 0.000 0.981 201 Y HN 0.054 nan 8.280 nan 0.000 0.507 202 L N 0.035 121.212 121.223 -0.077 0.000 2.042 202 L HA -0.294 4.046 4.340 0.001 0.000 0.210 202 L C 2.032 178.867 176.870 -0.059 0.000 1.076 202 L CA 2.020 56.776 54.840 -0.141 0.000 0.749 202 L CB -0.643 41.305 42.059 -0.185 0.000 0.893 202 L HN 0.351 nan 8.230 nan 0.000 0.432 203 N N -0.618 118.074 118.700 -0.013 0.000 2.084 203 N HA -0.237 4.503 4.740 0.001 0.000 0.190 203 N C 1.781 177.309 175.510 0.031 0.000 1.030 203 N CA 1.205 54.263 53.050 0.013 0.000 0.849 203 N CB -0.204 38.308 38.487 0.041 0.000 1.012 203 N HN 0.193 nan 8.380 nan 0.000 0.423 204 F N 1.239 121.142 119.950 -0.078 0.000 2.091 204 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 204 F C 2.182 177.846 175.800 -0.227 0.000 1.103 204 F CA 1.364 59.279 58.000 -0.142 0.000 1.228 204 F CB -0.329 38.636 39.000 -0.059 0.000 0.984 204 F HN 0.222 nan 8.300 nan 0.000 0.477 205 W N 1.466 122.450 121.300 -0.526 0.000 2.374 205 W HA -0.187 4.475 4.660 0.004 0.000 0.288 205 W C 1.980 178.246 176.519 -0.421 0.000 1.218 205 W CA 1.670 58.660 57.345 -0.592 0.000 1.245 205 W CB -0.433 28.727 29.460 -0.501 0.000 1.126 205 W HN 0.201 nan 8.180 nan 0.000 0.545 206 Q N 0.172 119.955 119.800 -0.029 0.000 2.050 206 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 206 Q C 2.083 177.979 176.000 -0.174 0.000 0.980 206 Q CA 1.515 57.284 55.803 -0.058 0.000 0.840 206 Q CB -0.998 27.719 28.738 -0.035 0.000 0.898 206 Q HN 0.350 nan 8.270 nan 0.000 0.424 207 Q N 0.579 120.237 119.800 -0.237 0.000 2.119 207 Q HA -0.015 4.326 4.340 0.001 0.000 0.201 207 Q C 0.290 176.072 176.000 -0.364 0.000 0.972 207 Q CA 1.026 56.676 55.803 -0.255 0.000 0.847 207 Q CB 0.182 28.788 28.738 -0.220 0.000 0.903 207 Q HN 0.295 nan 8.270 nan 0.000 0.433 208 K N 1.046 121.089 120.400 -0.595 0.000 2.877 208 K HA 0.246 4.566 4.320 0.001 0.000 0.176 208 K C -0.936 175.237 176.600 -0.712 0.000 1.075 208 K CA -0.088 55.802 56.287 -0.661 0.000 0.939 208 K CB 1.065 32.998 32.500 -0.945 0.000 1.237 208 K HN -0.124 nan 8.250 nan 0.000 0.607 209 T N 3.202 117.426 114.554 -0.551 0.000 2.752 209 T HA 0.137 4.487 4.350 0.001 0.000 0.295 209 T C -2.314 172.066 174.700 -0.533 0.000 0.923 209 T CA -1.378 60.335 62.100 -0.644 0.000 1.112 209 T CB 0.295 68.950 68.868 -0.355 0.000 0.884 209 T HN 0.100 nan 8.240 nan 0.000 0.525 210 P HA 0.073 nan 4.420 nan 0.000 0.265 210 P C 0.528 177.700 177.300 -0.214 0.000 1.187 210 P CA -0.138 62.715 63.100 -0.412 0.000 0.766 210 P CB 0.623 32.015 31.700 -0.513 0.000 0.820 211 V N 2.959 122.818 119.914 -0.092 0.000 2.521 211 V HA 0.043 4.163 4.120 0.001 0.000 0.239 211 V C 0.985 177.097 176.094 0.030 0.000 1.053 211 V CA 1.123 63.421 62.300 -0.005 0.000 1.073 211 V CB -0.175 31.676 31.823 0.046 0.000 0.746 211 V HN 0.400 nan 8.190 nan 0.000 0.476 212 I N 2.212 122.809 120.570 0.045 0.000 2.321 212 I HA 0.383 4.553 4.170 0.001 0.000 0.291 212 I C -0.614 175.549 176.117 0.076 0.000 0.998 212 I CA -0.466 60.881 61.300 0.079 0.000 1.227 212 I CB 1.030 39.098 38.000 0.112 0.000 1.368 212 I HN 0.085 nan 8.210 nan 0.000 0.466 213 L N 6.799 128.085 121.223 0.105 0.000 2.296 213 L HA 0.663 5.003 4.340 0.001 0.000 0.286 213 L C 0.036 177.049 176.870 0.238 0.000 1.023 213 L CA 0.523 55.450 54.840 0.144 0.000 0.812 213 L CB 1.572 43.729 42.059 0.163 0.000 1.223 213 L HN 0.770 nan 8.230 nan 0.000 0.421 214 T N 2.532 117.266 114.554 0.299 0.000 2.654 214 T HA 0.949 5.299 4.350 0.001 0.000 0.289 214 T C -0.560 174.375 174.700 0.393 0.000 1.062 214 T CA -0.066 62.242 62.100 0.347 0.000 1.041 214 T CB 1.293 70.389 68.868 0.380 0.000 1.417 214 T HN 1.177 nan 8.240 nan 0.000 0.510 215 G N -0.220 108.810 108.800 0.383 0.000 2.359 215 G HA2 0.132 4.092 3.960 0.001 0.000 0.303 215 G HA3 0.132 4.092 3.960 0.001 0.000 0.303 215 G C -1.934 173.185 174.900 0.365 0.000 1.293 215 G CA -0.464 44.841 45.100 0.342 0.000 0.964 215 G HN 0.739 nan 8.290 nan 0.000 0.531 216 W N 1.887 123.263 121.300 0.126 0.000 2.311 216 W HA 0.461 5.121 4.660 0.001 0.000 0.317 216 W C 0.791 177.369 176.519 0.099 0.000 1.065 216 W CA 0.339 57.757 57.345 0.121 0.000 1.364 216 W CB 0.675 30.179 29.460 0.072 0.000 1.233 216 W HN 0.957 nan 8.180 nan 0.000 0.409 217 N N 2.952 121.505 118.700 -0.245 0.000 2.776 217 N HA -0.268 4.472 4.740 0.001 0.000 0.250 217 N C 0.842 176.386 175.510 0.055 0.000 1.112 217 N CA 1.404 54.376 53.050 -0.131 0.000 0.733 217 N CB -1.101 37.359 38.487 -0.046 0.000 1.097 217 N HN 0.281 nan 8.380 nan 0.000 0.558 218 V N -3.237 116.719 119.914 0.068 0.000 2.490 218 V HA -0.113 4.008 4.120 0.001 0.000 0.250 218 V C 1.928 178.100 176.094 0.130 0.000 1.061 218 V CA 2.242 64.605 62.300 0.104 0.000 1.064 218 V CB -0.400 31.533 31.823 0.184 0.000 0.670 218 V HN 0.457 nan 8.190 nan 0.000 0.461 219 E N 1.381 121.629 120.200 0.080 0.000 2.150 219 E HA -0.167 4.183 4.350 0.001 0.000 0.193 219 E C 2.231 178.862 176.600 0.052 0.000 0.985 219 E CA 1.525 57.956 56.400 0.051 0.000 0.814 219 E CB -0.016 29.672 29.700 -0.020 0.000 0.752 219 E HN 0.861 nan 8.360 nan 0.000 0.466 220 S N -1.443 114.298 115.700 0.069 0.000 2.503 220 S HA 0.055 4.526 4.470 0.001 0.000 0.215 220 S C 1.220 175.975 174.600 0.258 0.000 1.003 220 S CA -0.393 57.874 58.200 0.112 0.000 0.910 220 S CB 0.153 63.388 63.200 0.059 0.000 0.790 220 S HN 0.338 nan 8.310 nan 0.000 0.514 221 F N 1.167 121.183 119.950 0.109 0.000 2.199 221 F HA 0.610 5.137 4.527 -0.001 0.000 0.244 221 F C 2.351 178.240 175.800 0.148 0.000 1.027 221 F CA 0.410 58.505 58.000 0.159 0.000 1.207 221 F CB -0.473 38.626 39.000 0.165 0.000 1.500 221 F HN 0.135 nan 8.300 nan 0.000 0.622 222 A N 1.514 124.291 122.820 -0.071 0.000 1.869 222 A HA -0.220 4.101 4.320 0.001 0.000 0.218 222 A C 2.086 179.688 177.584 0.029 0.000 1.203 222 A CA 2.644 54.554 52.037 -0.211 0.000 0.638 222 A CB -1.500 17.262 19.000 -0.398 0.000 0.831 222 A HN 0.543 nan 8.150 nan 0.000 0.450 223 I N 0.333 121.018 120.570 0.191 0.000 2.113 223 I HA -0.152 4.019 4.170 0.001 0.000 0.238 223 I C -0.371 175.828 176.117 0.137 0.000 1.070 223 I CA 1.663 63.120 61.300 0.263 0.000 1.332 223 I CB -1.086 37.066 38.000 0.253 0.000 1.044 223 I HN 0.277 nan 8.210 nan 0.000 0.402 224 P HA -0.221 nan 4.420 nan 0.000 0.218 224 P C 1.579 178.901 177.300 0.037 0.000 1.149 224 P CA 1.675 64.817 63.100 0.070 0.000 0.817 224 P CB -0.144 31.592 31.700 0.059 0.000 0.785 225 Y N 1.048 121.252 120.300 -0.160 0.000 2.114 225 Y HA -0.192 4.361 4.550 0.005 0.000 0.284 225 Y C 2.454 178.288 175.900 -0.110 0.000 1.143 225 Y CA 1.377 59.336 58.100 -0.234 0.000 1.135 225 Y CB -0.862 37.229 38.460 -0.615 0.000 0.980 225 Y HN -0.314 nan 8.280 nan 0.000 0.499 226 V N -0.479 119.508 119.914 0.122 0.000 2.332 226 V HA -0.358 3.763 4.120 0.001 0.000 0.248 226 V C 1.981 178.102 176.094 0.045 0.000 1.055 226 V CA 2.301 64.664 62.300 0.106 0.000 1.038 226 V CB -1.097 30.822 31.823 0.160 0.000 0.651 226 V HN 0.572 nan 8.190 nan 0.000 0.450 227 Y N 1.322 121.583 120.300 -0.064 0.000 2.114 227 Y HA -0.232 4.316 4.550 -0.004 0.000 0.284 227 Y C 2.650 178.491 175.900 -0.100 0.000 1.143 227 Y CA 2.138 60.188 58.100 -0.083 0.000 1.135 227 Y CB -0.159 38.263 38.460 -0.063 0.000 0.980 227 Y HN 0.250 nan 8.280 nan 0.000 0.499 228 N N 0.090 118.747 118.700 -0.072 0.000 2.270 228 N HA -0.145 4.596 4.740 0.001 0.000 0.181 228 N C 1.889 177.237 175.510 -0.271 0.000 1.016 228 N CA 0.999 53.932 53.050 -0.194 0.000 0.870 228 N CB -0.316 38.069 38.487 -0.170 0.000 0.979 228 N HN 0.243 nan 8.380 nan 0.000 0.431 229 R N 1.482 121.802 120.500 -0.300 0.000 2.066 229 R HA 0.121 4.462 4.340 0.001 0.000 0.232 229 R C 2.141 178.359 176.300 -0.137 0.000 1.131 229 R CA 0.942 56.901 56.100 -0.235 0.000 0.955 229 R CB -0.720 29.497 30.300 -0.139 0.000 0.851 229 R HN 0.198 nan 8.270 nan 0.000 0.432 230 I N 0.501 121.018 120.570 -0.089 0.000 2.226 230 I HA -0.273 3.897 4.170 0.001 0.000 0.245 230 I C 2.386 178.479 176.117 -0.040 0.000 1.100 230 I CA 1.506 62.824 61.300 0.030 0.000 1.374 230 I CB -0.341 37.663 38.000 0.007 0.000 1.057 230 I HN 0.248 nan 8.210 nan 0.000 0.413 231 K N 1.106 121.372 120.400 -0.224 0.000 2.063 231 K HA -0.230 4.091 4.320 0.001 0.000 0.208 231 K C 1.818 178.320 176.600 -0.164 0.000 1.048 231 K CA 1.868 58.008 56.287 -0.245 0.000 0.928 231 K CB -0.033 32.240 32.500 -0.379 0.000 0.713 231 K HN 0.235 nan 8.250 nan 0.000 0.442 232 N N 0.430 119.026 118.700 -0.175 0.000 2.331 232 N HA -0.054 4.686 4.740 0.001 0.000 0.180 232 N C 1.650 177.045 175.510 -0.193 0.000 1.019 232 N CA 1.056 54.007 53.050 -0.164 0.000 0.881 232 N CB 0.057 38.443 38.487 -0.169 0.000 0.972 232 N HN 0.301 nan 8.380 nan 0.000 0.435 233 I N -1.620 118.793 120.570 -0.262 0.000 2.731 233 I HA 0.001 4.171 4.170 0.001 0.000 0.260 233 I C 0.765 176.550 176.117 -0.552 0.000 1.138 233 I CA 0.706 61.717 61.300 -0.482 0.000 1.461 233 I CB 0.154 37.706 38.000 -0.747 0.000 1.128 233 I HN -0.047 nan 8.210 nan 0.000 0.438 234 F N 0.242 120.132 119.950 -0.100 0.000 2.752 234 F HA 0.446 4.974 4.527 0.001 0.000 0.310 234 F C 1.037 176.780 175.800 -0.095 0.000 1.097 234 F CA 0.235 58.181 58.000 -0.091 0.000 1.238 234 F CB 0.845 39.788 39.000 -0.095 0.000 1.061 234 F HN 0.025 nan 8.300 nan 0.000 0.591 235 G N 0.982 109.805 108.800 0.037 0.000 2.587 235 G HA2 -0.182 3.778 3.960 0.001 0.000 0.686 235 G HA3 -0.182 3.778 3.960 0.001 0.000 0.686 235 G C 0.063 174.922 174.900 -0.068 0.000 1.236 235 G CA -0.248 44.839 45.100 -0.021 0.000 0.820 235 G HN 0.187 nan 8.290 nan 0.000 0.645 236 E N -0.185 119.958 120.200 -0.095 0.000 2.077 236 E HA -0.146 4.204 4.350 0.001 0.000 0.193 236 E C 2.682 179.214 176.600 -0.113 0.000 0.989 236 E CA 1.990 58.301 56.400 -0.148 0.000 0.800 236 E CB -0.117 29.529 29.700 -0.089 0.000 0.746 236 E HN 0.774 nan 8.360 nan 0.000 0.452 237 S N -0.545 115.119 115.700 -0.060 0.000 2.447 237 S HA -0.106 4.365 4.470 0.001 0.000 0.233 237 S C 1.957 176.519 174.600 -0.063 0.000 1.006 237 S CA 1.326 59.500 58.200 -0.044 0.000 0.957 237 S CB -0.349 62.832 63.200 -0.031 0.000 0.773 237 S HN 0.162 nan 8.310 nan 0.000 0.507 238 T N 2.739 117.247 114.554 -0.077 0.000 2.777 238 T HA 0.121 4.472 4.350 0.001 0.000 0.266 238 T C 2.208 176.821 174.700 -0.145 0.000 1.040 238 T CA 1.261 63.293 62.100 -0.113 0.000 1.141 238 T CB -0.723 68.088 68.868 -0.096 0.000 0.868 238 T HN 0.617 nan 8.240 nan 0.000 0.444 239 A N 1.567 124.277 122.820 -0.183 0.000 2.019 239 A HA -0.082 4.238 4.320 0.001 0.000 0.219 239 A C 2.152 179.686 177.584 -0.082 0.000 1.164 239 A CA 1.290 53.153 52.037 -0.290 0.000 0.644 239 A CB -0.411 18.136 19.000 -0.755 0.000 0.805 239 A HN 0.429 nan 8.150 nan 0.000 0.449 240 K N -0.683 119.712 120.400 -0.008 0.000 2.432 240 K HA 0.027 4.347 4.320 0.001 0.000 0.196 240 K C 1.738 178.340 176.600 0.004 0.000 1.038 240 K CA 0.316 56.660 56.287 0.095 0.000 0.986 240 K CB -0.044 32.494 32.500 0.063 0.000 0.782 240 K HN 0.387 nan 8.250 nan 0.000 0.485 241 R N 0.549 121.010 120.500 -0.065 0.000 2.328 241 R HA -0.022 4.318 4.340 0.001 0.000 0.207 241 R C 1.652 177.864 176.300 -0.147 0.000 1.056 241 R CA 0.540 56.584 56.100 -0.092 0.000 1.016 241 R CB -0.140 30.086 30.300 -0.123 0.000 0.872 241 R HN 0.172 nan 8.270 nan 0.000 0.471 242 L N -0.162 120.927 121.223 -0.223 0.000 2.376 242 L HA -0.014 4.326 4.340 0.001 0.000 0.219 242 L C 1.124 177.998 176.870 0.006 0.000 1.133 242 L CA 0.347 54.926 54.840 -0.434 0.000 0.816 242 L CB -0.017 41.737 42.059 -0.507 0.000 0.933 242 L HN -0.030 nan 8.230 nan 0.000 0.449 243 S N 0.276 115.999 115.700 0.039 0.000 2.457 243 S HA 0.270 4.740 4.470 0.001 0.000 0.289 243 S C -1.454 173.143 174.600 -0.005 0.000 1.163 243 S CA -1.629 56.609 58.200 0.062 0.000 1.078 243 S CB 1.099 64.343 63.200 0.072 0.000 0.987 243 S HN -0.077 nan 8.310 nan 0.000 0.482 244 P HA -0.058 nan 4.420 nan 0.000 0.226 244 P C 0.326 177.474 177.300 -0.252 0.000 1.153 244 P CA 1.033 64.016 63.100 -0.194 0.000 0.777 244 P CB -0.076 31.442 31.700 -0.302 0.000 0.794 245 H N -0.337 118.697 119.070 -0.060 0.000 2.549 245 H HA 0.258 4.814 4.556 0.000 0.000 0.279 245 H C 0.540 175.731 175.328 -0.228 0.000 1.018 245 H CA -0.134 55.761 56.048 -0.256 0.000 1.175 245 H CB 0.052 29.507 29.762 -0.512 0.000 1.485 245 H HN -0.020 nan 8.280 nan 0.000 0.543 246 R N 0.301 120.774 120.500 -0.046 0.000 3.525 246 R HA -0.196 4.145 4.340 0.001 0.000 0.276 246 R C -0.098 176.161 176.300 -0.067 0.000 1.116 246 R CA 0.554 56.628 56.100 -0.042 0.000 0.745 246 R CB -2.101 28.172 30.300 -0.044 0.000 1.185 246 R HN 0.365 nan 8.270 nan 0.000 0.454 247 K N 0.635 120.994 120.400 -0.068 0.000 2.471 247 K HA 0.449 4.770 4.320 0.001 0.000 0.252 247 K C -0.628 175.964 176.600 -0.014 0.000 0.938 247 K CA -0.122 56.052 56.287 -0.189 0.000 0.796 247 K CB 1.693 33.904 32.500 -0.481 0.000 1.161 247 K HN 0.161 nan 8.250 nan 0.000 0.425 248 T N 0.460 115.015 114.554 0.002 0.000 2.906 248 T HA 0.597 4.947 4.350 0.001 0.000 0.295 248 T C -0.926 173.868 174.700 0.156 0.000 1.075 248 T CA -1.030 61.163 62.100 0.155 0.000 1.005 248 T CB 1.503 70.349 68.868 -0.036 0.000 1.136 248 T HN 0.524 nan 8.240 nan 0.000 0.498 249 R N 1.046 121.665 120.500 0.198 0.000 2.561 249 R HA 0.650 4.991 4.340 0.001 0.000 0.297 249 R C -1.754 174.543 176.300 -0.005 0.000 0.969 249 R CA -0.745 55.431 56.100 0.128 0.000 0.879 249 R CB 2.128 32.560 30.300 0.220 0.000 1.178 249 R HN 0.618 nan 8.270 nan 0.000 0.445 250 V N 4.848 124.761 119.914 -0.003 0.000 2.313 250 V HA 0.298 4.418 4.120 0.001 0.000 0.278 250 V C -0.127 175.966 176.094 -0.003 0.000 1.017 250 V CA -0.677 61.611 62.300 -0.020 0.000 0.823 250 V CB 1.343 33.178 31.823 0.021 0.000 1.010 250 V HN 0.607 nan 8.190 nan 0.000 0.443 251 K N 3.533 123.924 120.400 -0.016 0.000 2.183 251 K HA 0.586 4.906 4.320 0.001 0.000 0.274 251 K C 0.122 176.718 176.600 -0.007 0.000 1.009 251 K CA -0.482 55.797 56.287 -0.013 0.000 0.888 251 K CB 1.918 34.402 32.500 -0.026 0.000 1.078 251 K HN 0.404 nan 8.250 nan 0.000 0.459 252 V N 5.210 125.123 119.914 -0.001 0.000 2.423 252 V HA 0.041 4.162 4.120 0.001 0.000 0.233 252 V C 0.499 176.597 176.094 0.006 0.000 1.067 252 V CA 0.482 62.787 62.300 0.007 0.000 1.073 252 V CB -0.810 31.019 31.823 0.011 0.000 0.715 252 V HN 1.016 nan 8.190 nan 0.000 0.485 253 I N 0.180 120.751 120.570 0.001 0.000 8.240 253 I HA -0.232 3.938 4.170 0.001 0.000 0.126 253 I C -0.654 175.470 176.117 0.012 0.000 1.791 253 I CA 0.374 61.675 61.300 0.001 0.000 2.143 253 I CB -1.269 36.728 38.000 -0.005 0.000 3.682 253 I HN 0.378 nan 8.210 nan 0.000 0.201 254 E N 5.479 125.684 120.200 0.008 0.000 2.212 254 E HA 0.673 5.024 4.350 0.001 0.000 0.270 254 E C -0.056 176.546 176.600 0.004 0.000 0.956 254 E CA -0.800 55.606 56.400 0.012 0.000 0.825 254 E CB 1.381 31.084 29.700 0.006 0.000 1.167 254 E HN 0.769 nan 8.360 nan 0.000 0.400 255 N N 0.125 118.829 118.700 0.007 0.000 5.739 255 N HA -0.251 4.489 4.740 0.001 0.000 0.380 255 N C 0.432 175.903 175.510 -0.066 0.000 1.066 255 N CA 0.991 54.024 53.050 -0.029 0.000 2.435 255 N CB -0.132 38.326 38.487 -0.048 0.000 0.610 255 N HN 0.601 nan 8.380 nan 0.000 0.684 256 M N -1.564 117.911 119.600 -0.208 0.000 2.556 256 M HA 0.121 4.602 4.480 0.001 0.000 0.245 256 M C 0.621 176.761 176.300 -0.266 0.000 1.128 256 M CA 0.826 55.960 55.300 -0.276 0.000 1.069 256 M CB 0.034 32.406 32.600 -0.381 0.000 1.469 256 M HN 0.540 nan 8.290 nan 0.000 0.494 257 Y N 2.058 122.366 120.300 0.015 0.000 2.269 257 Y HA 0.377 4.928 4.550 0.001 0.000 0.294 257 Y C 1.184 177.102 175.900 0.029 0.000 1.120 257 Y CA 0.566 58.677 58.100 0.019 0.000 1.159 257 Y CB 0.312 38.782 38.460 0.016 0.000 1.024 257 Y HN 0.407 nan 8.280 nan 0.000 0.532 258 G N -0.531 108.370 108.800 0.168 0.000 1.837 258 G HA2 0.341 4.302 3.960 0.001 0.000 0.207 258 G HA3 0.341 4.302 3.960 0.001 0.000 0.207 258 G C -1.330 173.620 174.900 0.084 0.000 1.659 258 G CA -0.261 44.922 45.100 0.138 0.000 0.956 258 G HN 0.045 nan 8.290 nan 0.000 0.655 259 S N 1.090 116.843 115.700 0.087 0.000 2.462 259 S HA 0.369 4.840 4.470 0.001 0.000 0.334 259 S C -0.240 174.408 174.600 0.080 0.000 0.733 259 S CA -0.549 57.691 58.200 0.068 0.000 0.766 259 S CB 0.181 63.416 63.200 0.057 0.000 1.105 259 S HN 0.880 nan 8.310 nan 0.000 0.505 260 R N 1.952 122.492 120.500 0.067 0.000 2.960 260 R HA 0.750 5.091 4.340 0.001 0.000 0.249 260 R C -0.876 175.455 176.300 0.053 0.000 1.192 260 R CA -1.057 55.087 56.100 0.075 0.000 1.035 260 R CB 1.414 31.756 30.300 0.069 0.000 1.234 260 R HN 0.613 nan 8.270 nan 0.000 0.493 261 E N 1.169 121.400 120.200 0.053 0.000 2.321 261 E HA 0.286 4.636 4.350 0.001 0.000 0.278 261 E C -1.269 175.340 176.600 0.014 0.000 0.902 261 E CA -0.543 55.875 56.400 0.030 0.000 0.758 261 E CB 2.555 32.278 29.700 0.038 0.000 1.213 261 E HN 0.437 nan 8.360 nan 0.000 0.426 262 I N 0.400 120.962 120.570 -0.014 0.000 2.378 262 I HA 0.514 4.684 4.170 0.001 0.000 0.291 262 I C -0.687 175.390 176.117 -0.067 0.000 0.992 262 I CA -0.859 60.419 61.300 -0.035 0.000 1.154 262 I CB 0.821 38.792 38.000 -0.049 0.000 1.315 262 I HN 0.274 nan 8.210 nan 0.000 0.448 263 I N 5.141 125.651 120.570 -0.100 0.000 2.331 263 I HA 0.306 4.476 4.170 0.001 0.000 0.292 263 I C 0.239 176.265 176.117 -0.151 0.000 0.998 263 I CA -0.182 60.998 61.300 -0.200 0.000 1.267 263 I CB 1.332 39.109 38.000 -0.370 0.000 1.386 263 I HN 0.658 nan 8.210 nan 0.000 0.476 264 T N 7.555 122.029 114.554 -0.133 0.000 2.749 264 T HA 0.500 4.850 4.350 0.001 0.000 0.287 264 T C 0.269 174.926 174.700 -0.073 0.000 0.970 264 T CA -0.404 61.619 62.100 -0.128 0.000 0.980 264 T CB 0.751 69.507 68.868 -0.187 0.000 0.924 264 T HN 0.267 nan 8.240 nan 0.000 0.456 265 L N 4.461 125.648 121.223 -0.060 0.000 2.272 265 L HA 0.426 4.767 4.340 0.001 0.000 0.284 265 L C -0.320 176.583 176.870 0.056 0.000 1.045 265 L CA -0.801 54.064 54.840 0.041 0.000 0.842 265 L CB 0.053 42.153 42.059 0.068 0.000 1.224 265 L HN 0.562 nan 8.230 nan 0.000 0.430 266 F N 2.214 122.165 119.950 0.003 0.000 2.578 266 F HA 0.283 4.809 4.527 -0.001 0.000 0.381 266 F C 1.473 177.309 175.800 0.059 0.000 1.069 266 F CA 1.137 59.167 58.000 0.050 0.000 1.231 266 F CB 0.691 39.718 39.000 0.045 0.000 1.086 266 F HN 0.720 nan 8.300 nan 0.000 0.564 267 G N 3.094 112.033 108.800 0.232 0.000 2.176 267 G HA2 -0.240 3.721 3.960 0.001 0.000 0.232 267 G HA3 -0.240 3.721 3.960 0.001 0.000 0.232 267 G C -0.232 174.700 174.900 0.053 0.000 0.986 267 G CA -0.227 44.948 45.100 0.125 0.000 0.643 267 G HN 0.556 nan 8.290 nan 0.000 0.522 268 I N 0.482 121.090 120.570 0.065 0.000 2.828 268 I HA 0.575 4.745 4.170 0.001 0.000 0.302 268 I C -0.325 175.825 176.117 0.054 0.000 1.101 268 I CA -1.024 60.315 61.300 0.065 0.000 1.031 268 I CB 2.453 40.517 38.000 0.108 0.000 1.231 268 I HN -0.010 nan 8.210 nan 0.000 0.427 269 S N 3.370 119.108 115.700 0.064 0.000 2.601 269 S HA 0.369 4.840 4.470 0.001 0.000 0.312 269 S C -0.425 174.230 174.600 0.091 0.000 1.107 269 S CA -0.514 57.724 58.200 0.063 0.000 1.129 269 S CB 1.022 64.256 63.200 0.057 0.000 0.982 269 S HN 0.253 nan 8.310 nan 0.000 0.469 270 V N 5.415 125.389 119.914 0.100 0.000 2.455 270 V HA 0.298 4.419 4.120 0.001 0.000 0.273 270 V C -0.091 176.110 176.094 0.178 0.000 1.045 270 V CA -0.083 62.299 62.300 0.137 0.000 0.976 270 V CB 0.481 32.373 31.823 0.114 0.000 0.993 270 V HN 0.718 nan 8.190 nan 0.000 0.475 271 L N 4.356 125.703 121.223 0.207 0.000 2.457 271 L HA 0.381 4.722 4.340 0.001 0.000 0.252 271 L C 0.058 177.072 176.870 0.240 0.000 1.132 271 L CA -0.435 54.567 54.840 0.271 0.000 0.938 271 L CB 1.123 43.298 42.059 0.194 0.000 1.246 271 L HN 0.541 nan 8.230 nan 0.000 0.476 272 D N 0.540 121.036 120.400 0.160 0.000 2.487 272 D HA -0.145 4.495 4.640 0.001 0.000 0.243 272 D C 0.773 177.113 176.300 0.066 0.000 1.154 272 D CA 0.562 54.611 54.000 0.082 0.000 0.876 272 D CB 0.835 41.598 40.800 -0.063 0.000 1.161 272 D HN 0.330 nan 8.370 nan 0.000 0.478 273 Y N 3.775 124.110 120.300 0.058 0.000 2.274 273 Y HA -0.170 4.380 4.550 0.000 0.000 0.290 273 Y C 2.248 178.107 175.900 -0.069 0.000 1.145 273 Y CA 1.045 59.230 58.100 0.142 0.000 1.203 273 Y CB -0.050 38.623 38.460 0.355 0.000 0.984 273 Y HN 0.590 nan 8.280 nan 0.000 0.533 274 I N -0.304 119.973 120.570 -0.487 0.000 2.208 274 I HA -0.367 3.803 4.170 0.001 0.000 0.245 274 I C 1.708 177.614 176.117 -0.353 0.000 1.097 274 I CA 1.970 62.852 61.300 -0.698 0.000 1.363 274 I CB -0.202 37.193 38.000 -1.008 0.000 1.051 274 I HN 0.205 nan 8.210 nan 0.000 0.413 275 D N 0.470 120.672 120.400 -0.330 0.000 2.117 275 D HA -0.135 4.505 4.640 0.001 0.000 0.198 275 D C 2.317 178.484 176.300 -0.222 0.000 0.982 275 D CA 1.217 55.005 54.000 -0.354 0.000 0.828 275 D CB -0.211 40.253 40.800 -0.560 0.000 0.967 275 D HN 0.387 nan 8.370 nan 0.000 0.464 276 L N -0.175 120.958 121.223 -0.149 0.000 2.017 276 L HA -0.211 4.129 4.340 0.001 0.000 0.208 276 L C 2.519 179.052 176.870 -0.562 0.000 1.073 276 L CA 1.085 55.715 54.840 -0.349 0.000 0.745 276 L CB -0.577 41.262 42.059 -0.366 0.000 0.894 276 L HN 0.029 nan 8.230 nan 0.000 0.432 277 Y N 1.137 121.227 120.300 -0.350 0.000 2.081 277 Y HA -0.347 4.204 4.550 0.001 0.000 0.280 277 Y C 2.671 178.457 175.900 -0.190 0.000 1.163 277 Y CA 1.887 59.956 58.100 -0.052 0.000 1.135 277 Y CB -0.111 38.564 38.460 0.358 0.000 0.970 277 Y HN -0.003 nan 8.280 nan 0.000 0.498 278 K N -0.130 120.191 120.400 -0.132 0.000 2.063 278 K HA -0.230 4.091 4.320 0.001 0.000 0.208 278 K C 2.230 178.552 176.600 -0.465 0.000 1.048 278 K CA 1.826 57.955 56.287 -0.264 0.000 0.928 278 K CB -0.184 32.109 32.500 -0.344 0.000 0.713 278 K HN 0.230 nan 8.250 nan 0.000 0.442 279 K N -0.238 119.787 120.400 -0.625 0.000 2.167 279 K HA -0.032 4.288 4.320 0.001 0.000 0.203 279 K C 1.211 177.333 176.600 -0.796 0.000 1.052 279 K CA 1.105 56.921 56.287 -0.784 0.000 0.956 279 K CB 0.227 32.111 32.500 -1.027 0.000 0.735 279 K HN 0.097 nan 8.250 nan 0.000 0.451 280 F N -0.735 118.827 119.950 -0.646 0.000 2.746 280 F HA 0.071 4.599 4.527 0.002 0.000 0.313 280 F C 2.062 177.640 175.800 -0.371 0.000 1.095 280 F CA -0.326 57.313 58.000 -0.601 0.000 1.224 280 F CB 0.690 39.120 39.000 -0.951 0.000 1.060 280 F HN 0.042 nan 8.300 nan 0.000 0.584 281 S N -0.082 115.422 115.700 -0.326 0.000 2.461 281 S HA -0.120 4.351 4.470 0.001 0.000 0.228 281 S C 0.728 175.409 174.600 0.135 0.000 1.005 281 S CA 0.060 58.228 58.200 -0.053 0.000 0.942 281 S CB -0.929 61.859 63.200 -0.687 0.000 0.776 281 S HN 0.317 nan 8.310 nan 0.000 0.514 282 F N 2.604 122.513 119.950 -0.068 0.000 3.027 282 F HA -0.186 4.342 4.527 0.002 0.000 0.276 282 F C 0.689 176.487 175.800 -0.004 0.000 0.967 282 F CA 0.808 58.796 58.000 -0.019 0.000 0.929 282 F CB -2.428 36.583 39.000 0.018 0.000 0.873 282 F HN 0.526 nan 8.300 nan 0.000 0.787 283 T N -2.843 111.727 114.554 0.026 0.000 2.908 283 T HA 0.665 5.016 4.350 0.001 0.000 0.290 283 T C -0.613 174.095 174.700 0.013 0.000 1.034 283 T CA -1.008 61.108 62.100 0.026 0.000 1.010 283 T CB 2.470 71.325 68.868 -0.021 0.000 1.068 283 T HN 0.124 nan 8.240 nan 0.000 0.481 284 N N 1.740 120.441 118.700 0.002 0.000 2.442 284 N HA 0.281 5.021 4.740 0.001 0.000 0.274 284 N C -1.001 174.469 175.510 -0.066 0.000 1.002 284 N CA -0.473 52.587 53.050 0.018 0.000 0.910 284 N CB 1.350 39.840 38.487 0.006 0.000 1.244 284 N HN 0.531 nan 8.380 nan 0.000 0.492 285 Q N 3.116 122.837 119.800 -0.131 0.000 2.230 285 Q HA 0.381 4.721 4.340 0.001 0.000 0.253 285 Q C -1.659 174.082 176.000 -0.431 0.000 0.919 285 Q CA -1.660 53.903 55.803 -0.400 0.000 0.908 285 Q CB 1.685 29.958 28.738 -0.775 0.000 1.245 285 Q HN 0.495 nan 8.270 nan 0.000 0.437 286 P HA -0.040 nan 4.420 nan 0.000 0.233 286 P C 0.104 177.019 177.300 -0.642 0.000 1.167 286 P CA 0.707 63.531 63.100 -0.460 0.000 0.770 286 P CB 0.690 32.167 31.700 -0.370 0.000 0.837 287 S N -1.494 113.678 115.700 -0.881 0.000 2.547 287 S HA 0.471 4.941 4.470 0.001 0.000 0.270 287 S C -1.354 172.824 174.600 -0.703 0.000 1.150 287 S CA -0.521 57.239 58.200 -0.732 0.000 0.850 287 S CB 0.538 63.230 63.200 -0.848 0.000 1.118 287 S HN -0.140 nan 8.310 nan 0.000 0.461 288 Y N 2.005 122.241 120.300 -0.108 0.000 2.716 288 Y HA 0.316 4.866 4.550 0.001 0.000 0.260 288 Y C 1.180 177.258 175.900 0.297 0.000 1.141 288 Y CA -0.239 57.939 58.100 0.130 0.000 1.168 288 Y CB 0.564 39.084 38.460 0.100 0.000 1.189 288 Y HN 0.679 nan 8.280 nan 0.000 0.549 289 S N -0.389 115.423 115.700 0.187 0.000 2.579 289 S HA 0.027 4.498 4.470 0.001 0.000 0.275 289 S C 1.132 175.686 174.600 -0.078 0.000 1.345 289 S CA -0.554 57.729 58.200 0.138 0.000 1.031 289 S CB 1.126 64.357 63.200 0.051 0.000 0.892 289 S HN 0.399 nan 8.310 nan 0.000 0.529 290 L N 1.422 122.431 121.223 -0.356 0.000 2.109 290 L HA 0.044 4.385 4.340 0.001 0.000 0.207 290 L C 1.880 178.486 176.870 -0.439 0.000 1.086 290 L CA 1.833 56.188 54.840 -0.807 0.000 0.760 290 L CB -1.295 40.242 42.059 -0.869 0.000 0.910 290 L HN 0.811 nan 8.230 nan 0.000 0.437 291 D N -1.184 119.074 120.400 -0.237 0.000 2.106 291 D HA -0.303 4.338 4.640 0.001 0.000 0.191 291 D C 2.037 178.260 176.300 -0.127 0.000 0.997 291 D CA 1.898 55.803 54.000 -0.158 0.000 0.834 291 D CB -0.336 40.417 40.800 -0.079 0.000 0.956 291 D HN 0.466 nan 8.370 nan 0.000 0.448 292 Y N 0.970 121.169 120.300 -0.169 0.000 2.145 292 Y HA -0.189 4.362 4.550 0.001 0.000 0.286 292 Y C 2.248 178.067 175.900 -0.135 0.000 1.145 292 Y CA 1.292 59.312 58.100 -0.133 0.000 1.148 292 Y CB -0.073 38.301 38.460 -0.143 0.000 0.981 292 Y HN -0.071 nan 8.280 nan 0.000 0.507 293 I N -0.992 119.521 120.570 -0.096 0.000 2.353 293 I HA -0.232 3.938 4.170 0.001 0.000 0.248 293 I C 2.402 178.425 176.117 -0.156 0.000 1.119 293 I CA 1.280 62.482 61.300 -0.163 0.000 1.417 293 I CB -1.529 36.239 38.000 -0.388 0.000 1.078 293 I HN 0.173 nan 8.210 nan 0.000 0.421 294 S N 0.517 116.062 115.700 -0.259 0.000 2.359 294 S HA -0.205 4.265 4.470 0.001 0.000 0.224 294 S C 1.962 176.468 174.600 -0.157 0.000 1.035 294 S CA 1.320 59.391 58.200 -0.216 0.000 1.018 294 S CB -0.211 62.836 63.200 -0.255 0.000 0.876 294 S HN 0.430 nan 8.310 nan 0.000 0.448 295 E N 0.758 120.850 120.200 -0.180 0.000 2.049 295 E HA -0.187 4.163 4.350 0.001 0.000 0.198 295 E C 1.836 178.346 176.600 -0.150 0.000 1.007 295 E CA 1.262 57.555 56.400 -0.179 0.000 0.809 295 E CB -0.363 29.195 29.700 -0.236 0.000 0.749 295 E HN 0.524 nan 8.360 nan 0.000 0.450 296 F N 1.600 121.370 119.950 -0.299 0.000 2.134 296 F HA -0.165 4.363 4.527 0.001 0.000 0.299 296 F C 2.193 177.943 175.800 -0.084 0.000 1.097 296 F CA 1.608 59.485 58.000 -0.205 0.000 1.264 296 F CB 0.154 39.046 39.000 -0.180 0.000 1.001 296 F HN -0.001 nan 8.300 nan 0.000 0.479 297 E N -0.125 120.093 120.200 0.029 0.000 2.190 297 E HA 0.067 4.418 4.350 0.001 0.000 0.191 297 E C 1.993 178.547 176.600 -0.075 0.000 0.978 297 E CA 0.928 57.339 56.400 0.018 0.000 0.839 297 E CB 0.119 29.915 29.700 0.159 0.000 0.787 297 E HN 0.463 nan 8.360 nan 0.000 0.473 298 L N -0.267 120.903 121.223 -0.089 0.000 2.878 298 L HA 0.256 4.596 4.340 0.001 0.000 0.253 298 L C 0.832 177.652 176.870 -0.083 0.000 1.135 298 L CA -0.095 54.700 54.840 -0.076 0.000 0.943 298 L CB 0.143 42.146 42.059 -0.094 0.000 1.307 298 L HN 0.070 nan 8.230 nan 0.000 0.545 299 N N 1.229 119.861 118.700 -0.115 0.000 2.782 299 N HA -0.160 4.581 4.740 0.001 0.000 0.251 299 N C 0.024 175.477 175.510 -0.095 0.000 1.101 299 N CA 0.334 53.318 53.050 -0.110 0.000 0.764 299 N CB -0.484 37.948 38.487 -0.092 0.000 1.122 299 N HN 0.216 nan 8.380 nan 0.000 0.561 300 V N -1.147 118.706 119.914 -0.101 0.000 2.732 300 V HA 0.765 4.885 4.120 0.001 0.000 0.297 300 V C 1.423 177.458 176.094 -0.099 0.000 1.060 300 V CA 0.046 62.291 62.300 -0.093 0.000 1.038 300 V CB 1.530 33.293 31.823 -0.099 0.000 1.003 300 V HN 0.163 nan 8.190 nan 0.000 0.481 301 G N 3.354 112.106 108.800 -0.081 0.000 2.527 301 G HA2 0.348 4.308 3.960 0.001 0.000 0.248 301 G HA3 0.348 4.308 3.960 0.001 0.000 0.248 301 G C 0.210 175.051 174.900 -0.099 0.000 1.231 301 G CA -0.682 44.371 45.100 -0.078 0.000 0.838 301 G HN 1.072 nan 8.290 nan 0.000 0.570 302 K N 1.002 121.344 120.400 -0.097 0.000 2.380 302 K HA 0.063 4.383 4.320 0.001 0.000 0.267 302 K C -0.414 176.099 176.600 -0.146 0.000 0.990 302 K CA -0.720 55.497 56.287 -0.117 0.000 0.946 302 K CB 0.757 33.207 32.500 -0.085 0.000 0.937 302 K HN 0.095 nan 8.250 nan 0.000 0.491 303 L N 3.058 124.137 121.223 -0.241 0.000 2.536 303 L HA 0.119 4.460 4.340 0.001 0.000 0.282 303 L C 0.279 177.042 176.870 -0.179 0.000 1.174 303 L CA 0.566 55.117 54.840 -0.482 0.000 0.989 303 L CB -0.822 40.696 42.059 -0.903 0.000 1.311 303 L HN 0.526 nan 8.230 nan 0.000 0.455 304 K N 4.052 124.465 120.400 0.023 0.000 2.298 304 K HA 0.441 4.762 4.320 0.001 0.000 0.280 304 K C -0.831 176.008 176.600 0.400 0.000 1.032 304 K CA -0.001 56.359 56.287 0.121 0.000 0.958 304 K CB 0.735 33.281 32.500 0.075 0.000 0.978 304 K HN 0.439 nan 8.250 nan 0.000 0.472 305 Y N -1.430 118.990 120.300 0.199 0.000 2.597 305 Y HA 0.449 5.000 4.550 0.000 0.000 0.340 305 Y C -1.220 174.747 175.900 0.112 0.000 1.097 305 Y CA -1.538 56.675 58.100 0.188 0.000 1.037 305 Y CB 1.239 39.847 38.460 0.247 0.000 1.305 305 Y HN 0.346 nan 8.280 nan 0.000 0.463 306 D N 1.066 121.607 120.400 0.235 0.000 2.175 306 D HA 0.512 5.153 4.640 0.001 0.000 0.248 306 D C 0.473 176.886 176.300 0.188 0.000 1.047 306 D CA 1.073 55.148 54.000 0.125 0.000 0.883 306 D CB 1.601 42.457 40.800 0.094 0.000 1.180 306 D HN 1.183 nan 8.370 nan 0.000 0.438 307 G N 2.124 110.991 108.800 0.112 0.000 2.828 307 G HA2 -0.140 3.820 3.960 0.001 0.000 0.463 307 G HA3 -0.140 3.820 3.960 0.001 0.000 0.463 307 G C -2.660 172.357 174.900 0.194 0.000 1.394 307 G CA -1.048 44.128 45.100 0.127 0.000 0.862 307 G HN 0.464 nan 8.290 nan 0.000 0.540 308 P HA 0.309 nan 4.420 nan 0.000 0.274 308 P C 1.243 178.696 177.300 0.255 0.000 1.231 308 P CA -0.700 62.518 63.100 0.197 0.000 0.790 308 P CB 0.929 32.693 31.700 0.107 0.000 0.951 309 I N 1.949 122.696 120.570 0.295 0.000 2.567 309 I HA -0.215 3.956 4.170 0.001 0.000 0.257 309 I C 1.923 178.079 176.117 0.064 0.000 1.184 309 I CA 1.928 63.321 61.300 0.155 0.000 1.451 309 I CB -0.625 37.457 38.000 0.137 0.000 1.089 309 I HN 0.410 nan 8.210 nan 0.000 0.441 310 S N 0.184 115.907 115.700 0.038 0.000 2.442 310 S HA -0.173 4.297 4.470 0.001 0.000 0.236 310 S C 1.750 176.312 174.600 -0.064 0.000 1.007 310 S CA 0.930 59.103 58.200 -0.045 0.000 0.965 310 S CB -0.223 62.939 63.200 -0.062 0.000 0.773 310 S HN 0.476 nan 8.310 nan 0.000 0.504 311 K N -0.348 120.042 120.400 -0.016 0.000 2.374 311 K HA 0.396 4.717 4.320 0.001 0.000 0.202 311 K C 1.299 177.878 176.600 -0.035 0.000 1.040 311 K CA -0.086 56.186 56.287 -0.025 0.000 1.085 311 K CB 0.215 32.722 32.500 0.011 0.000 0.873 311 K HN 0.194 nan 8.250 nan 0.000 0.539 312 L N 1.659 122.858 121.223 -0.039 0.000 2.056 312 L HA -0.072 4.268 4.340 0.001 0.000 0.207 312 L C 2.274 179.045 176.870 -0.166 0.000 1.078 312 L CA 1.744 56.560 54.840 -0.039 0.000 0.749 312 L CB -0.259 41.782 42.059 -0.030 0.000 0.901 312 L HN 0.074 nan 8.230 nan 0.000 0.433 313 R N -0.093 120.094 120.500 -0.521 0.000 2.083 313 R HA -0.221 4.120 4.340 0.001 0.000 0.237 313 R C 2.170 178.343 176.300 -0.212 0.000 1.137 313 R CA 1.950 57.618 56.100 -0.721 0.000 0.951 313 R CB -0.356 29.268 30.300 -1.128 0.000 0.851 313 R HN 0.748 nan 8.270 nan 0.000 0.434 314 E N -0.055 120.056 120.200 -0.149 0.000 2.152 314 E HA -0.122 4.228 4.350 0.001 0.000 0.192 314 E C 1.720 178.309 176.600 -0.018 0.000 0.983 314 E CA 1.447 57.813 56.400 -0.057 0.000 0.818 314 E CB -0.076 29.604 29.700 -0.034 0.000 0.758 314 E HN 0.432 nan 8.360 nan 0.000 0.467 315 S N 0.292 115.983 115.700 -0.014 0.000 2.406 315 S HA -0.005 4.466 4.470 0.001 0.000 0.224 315 S C 1.268 175.885 174.600 0.027 0.000 1.030 315 S CA 0.488 58.696 58.200 0.014 0.000 0.958 315 S CB 0.100 63.316 63.200 0.027 0.000 0.811 315 S HN 0.150 nan 8.310 nan 0.000 0.489 316 N N 0.458 119.175 118.700 0.028 0.000 2.651 316 N HA 0.137 4.878 4.740 0.001 0.000 0.277 316 N C 0.328 175.880 175.510 0.071 0.000 1.787 316 N CA -0.245 52.830 53.050 0.042 0.000 0.818 316 N CB -0.234 38.268 38.487 0.025 0.000 1.316 316 N HN 0.469 nan 8.380 nan 0.000 0.503 317 H N 0.341 119.416 119.070 0.008 0.000 2.357 317 H HA -0.233 4.323 4.556 0.000 0.000 0.296 317 H C 1.362 176.796 175.328 0.175 0.000 1.108 317 H CA 2.372 58.461 56.048 0.068 0.000 1.273 317 H CB 0.587 30.383 29.762 0.057 0.000 1.367 317 H HN 0.418 nan 8.280 nan 0.000 0.498 318 Q N 1.193 121.054 119.800 0.101 0.000 2.045 318 Q HA -0.210 4.131 4.340 0.001 0.000 0.206 318 Q C 2.645 178.682 176.000 0.061 0.000 0.991 318 Q CA 2.440 58.308 55.803 0.108 0.000 0.851 318 Q CB -0.416 28.345 28.738 0.039 0.000 0.911 318 Q HN 0.459 nan 8.270 nan 0.000 0.418 319 R N -1.519 118.940 120.500 -0.069 0.000 2.075 319 R HA -0.163 4.178 4.340 0.001 0.000 0.232 319 R C 2.206 178.306 176.300 -0.334 0.000 1.126 319 R CA 1.248 57.169 56.100 -0.298 0.000 0.963 319 R CB -0.611 29.465 30.300 -0.373 0.000 0.858 319 R HN 0.441 nan 8.270 nan 0.000 0.435 320 Y N 0.948 121.074 120.300 -0.290 0.000 2.069 320 Y HA -0.310 4.239 4.550 -0.000 0.000 0.278 320 Y C 1.865 177.639 175.900 -0.211 0.000 1.175 320 Y CA 1.912 59.875 58.100 -0.227 0.000 1.134 320 Y CB -0.123 38.240 38.460 -0.163 0.000 0.965 320 Y HN 0.063 nan 8.280 nan 0.000 0.498 321 I N -0.972 119.472 120.570 -0.210 0.000 2.233 321 I HA -0.252 3.918 4.170 0.001 0.000 0.243 321 I C 2.472 178.354 176.117 -0.392 0.000 1.093 321 I CA 1.558 62.628 61.300 -0.383 0.000 1.380 321 I CB -1.581 36.065 38.000 -0.590 0.000 1.067 321 I HN 0.162 nan 8.210 nan 0.000 0.413 322 S N -0.060 115.507 115.700 -0.221 0.000 2.383 322 S HA -0.194 4.277 4.470 0.001 0.000 0.229 322 S C 2.047 176.688 174.600 0.068 0.000 1.030 322 S CA 1.269 59.456 58.200 -0.023 0.000 1.002 322 S CB -0.426 62.871 63.200 0.162 0.000 0.829 322 S HN 0.435 nan 8.310 nan 0.000 0.467 323 Y N 1.579 121.817 120.300 -0.103 0.000 2.314 323 Y HA -0.074 4.476 4.550 0.000 0.000 0.293 323 Y C 2.765 178.580 175.900 -0.142 0.000 1.129 323 Y CA 0.445 58.482 58.100 -0.104 0.000 1.201 323 Y CB -0.233 38.161 38.460 -0.109 0.000 0.999 323 Y HN 0.383 nan 8.280 nan 0.000 0.541 324 N N 1.203 119.868 118.700 -0.059 0.000 2.104 324 N HA -0.204 4.536 4.740 0.001 0.000 0.190 324 N C 1.660 177.158 175.510 -0.019 0.000 1.024 324 N CA 1.369 54.360 53.050 -0.099 0.000 0.853 324 N CB -0.166 38.208 38.487 -0.188 0.000 1.008 324 N HN 0.310 nan 8.380 nan 0.000 0.424 325 I N 0.888 121.425 120.570 -0.054 0.000 2.252 325 I HA -0.223 3.947 4.170 0.001 0.000 0.245 325 I C 2.202 178.320 176.117 0.003 0.000 1.102 325 I CA 0.824 62.099 61.300 -0.042 0.000 1.385 325 I CB -0.176 37.711 38.000 -0.188 0.000 1.064 325 I HN 0.143 nan 8.210 nan 0.000 0.414 326 I N 0.860 121.446 120.570 0.026 0.000 2.315 326 I HA -0.258 3.913 4.170 0.001 0.000 0.248 326 I C 2.787 178.933 176.117 0.048 0.000 1.117 326 I CA 1.224 62.561 61.300 0.063 0.000 1.404 326 I CB -0.440 37.607 38.000 0.078 0.000 1.071 326 I HN 0.177 nan 8.210 nan 0.000 0.419 327 A N 0.350 123.177 122.820 0.011 0.000 1.933 327 A HA -0.137 4.183 4.320 0.001 0.000 0.218 327 A C 2.415 180.023 177.584 0.040 0.000 1.175 327 A CA 1.574 53.596 52.037 -0.024 0.000 0.628 327 A CB -0.821 18.155 19.000 -0.040 0.000 0.814 327 A HN 0.251 nan 8.150 nan 0.000 0.444 328 V N -1.540 118.453 119.914 0.132 0.000 2.358 328 V HA -0.229 3.891 4.120 0.001 0.000 0.246 328 V C 2.348 178.608 176.094 0.277 0.000 1.047 328 V CA 1.932 64.373 62.300 0.235 0.000 1.035 328 V CB -0.948 31.094 31.823 0.365 0.000 0.658 328 V HN 0.712 nan 8.190 nan 0.000 0.452 329 Y N 1.398 121.779 120.300 0.136 0.000 2.274 329 Y HA -0.160 4.390 4.550 0.000 0.000 0.290 329 Y C 2.604 178.501 175.900 -0.006 0.000 1.145 329 Y CA 1.425 59.588 58.100 0.104 0.000 1.203 329 Y CB -0.353 38.087 38.460 -0.033 0.000 0.984 329 Y HN 0.133 nan 8.280 nan 0.000 0.533 330 R N -0.906 119.514 120.500 -0.134 0.000 2.096 330 R HA -0.128 4.212 4.340 0.001 0.000 0.235 330 R C 2.170 178.306 176.300 -0.274 0.000 1.127 330 R CA 1.571 57.505 56.100 -0.276 0.000 0.968 330 R CB -0.514 29.651 30.300 -0.225 0.000 0.861 330 R HN 0.245 nan 8.270 nan 0.000 0.440 331 V N 1.111 120.914 119.914 -0.185 0.000 2.407 331 V HA -0.224 3.896 4.120 0.001 0.000 0.248 331 V C 2.196 178.113 176.094 -0.294 0.000 1.055 331 V CA 1.319 63.486 62.300 -0.221 0.000 1.049 331 V CB -0.402 31.392 31.823 -0.048 0.000 0.662 331 V HN 0.234 nan 8.190 nan 0.000 0.455 332 L N -0.173 120.931 121.223 -0.199 0.000 2.046 332 L HA -0.177 4.163 4.340 0.001 0.000 0.208 332 L C 2.557 179.284 176.870 -0.238 0.000 1.077 332 L CA 1.864 56.590 54.840 -0.189 0.000 0.747 332 L CB -1.516 40.461 42.059 -0.137 0.000 0.896 332 L HN 0.449 nan 8.230 nan 0.000 0.432 333 Q N -0.791 118.783 119.800 -0.378 0.000 2.119 333 Q HA -0.147 4.193 4.340 0.001 0.000 0.201 333 Q C 2.344 178.220 176.000 -0.207 0.000 0.972 333 Q CA 1.173 56.769 55.803 -0.346 0.000 0.847 333 Q CB -0.014 28.428 28.738 -0.493 0.000 0.903 333 Q HN 0.471 nan 8.270 nan 0.000 0.433 334 I N 0.773 121.217 120.570 -0.209 0.000 2.179 334 I HA -0.261 3.909 4.170 0.001 0.000 0.242 334 I C 1.985 178.043 176.117 -0.098 0.000 1.088 334 I CA 1.265 62.497 61.300 -0.113 0.000 1.357 334 I CB -0.223 37.731 38.000 -0.076 0.000 1.051 334 I HN 0.187 nan 8.210 nan 0.000 0.409 335 D N 0.941 121.234 120.400 -0.179 0.000 2.144 335 D HA -0.164 4.477 4.640 0.001 0.000 0.199 335 D C 2.164 178.433 176.300 -0.051 0.000 0.984 335 D CA 1.371 55.344 54.000 -0.044 0.000 0.834 335 D CB 0.090 40.889 40.800 -0.002 0.000 0.955 335 D HN 0.301 nan 8.370 nan 0.000 0.465 336 A N 0.388 123.166 122.820 -0.071 0.000 1.940 336 A HA -0.221 4.100 4.320 0.001 0.000 0.219 336 A C 2.126 179.667 177.584 -0.072 0.000 1.176 336 A CA 1.778 53.785 52.037 -0.051 0.000 0.631 336 A CB -0.560 18.419 19.000 -0.035 0.000 0.814 336 A HN 0.255 nan 8.150 nan 0.000 0.446 337 K N -1.413 118.933 120.400 -0.091 0.000 2.044 337 K HA -0.062 4.258 4.320 0.001 0.000 0.204 337 K C 2.182 178.687 176.600 -0.158 0.000 1.049 337 K CA 0.735 56.956 56.287 -0.110 0.000 0.945 337 K CB -0.093 32.356 32.500 -0.085 0.000 0.724 337 K HN 0.211 nan 8.250 nan 0.000 0.440 338 R N 0.496 120.856 120.500 -0.233 0.000 2.112 338 R HA 0.062 4.402 4.340 0.001 0.000 0.216 338 R C 0.383 176.355 176.300 -0.547 0.000 1.080 338 R CA 0.624 56.419 56.100 -0.509 0.000 0.996 338 R CB -0.212 29.497 30.300 -0.984 0.000 0.902 338 R HN 0.359 nan 8.270 nan 0.000 0.449 339 Q N -0.591 119.017 119.800 -0.321 0.000 2.478 339 Q HA -0.168 4.172 4.340 0.001 0.000 0.286 339 Q C 0.024 176.009 176.000 -0.026 0.000 1.299 339 Q CA 0.195 55.919 55.803 -0.131 0.000 0.826 339 Q CB -1.477 27.199 28.738 -0.103 0.000 1.199 339 Q HN 0.157 nan 8.270 nan 0.000 0.451 340 F N -0.709 119.328 119.950 0.144 0.000 2.259 340 F HA -0.072 4.455 4.527 0.001 0.000 0.298 340 F C 2.097 177.915 175.800 0.030 0.000 1.088 340 F CA 0.519 58.553 58.000 0.057 0.000 1.358 340 F CB -0.176 38.881 39.000 0.094 0.000 1.040 340 F HN 0.277 nan 8.300 nan 0.000 0.505 341 I N 0.143 120.887 120.570 0.290 0.000 2.252 341 I HA -0.290 3.880 4.170 0.001 0.000 0.245 341 I C 2.214 178.396 176.117 0.108 0.000 1.102 341 I CA 1.430 62.849 61.300 0.198 0.000 1.385 341 I CB -1.357 36.785 38.000 0.236 0.000 1.064 341 I HN 0.200 nan 8.210 nan 0.000 0.414 342 N N 1.571 120.320 118.700 0.082 0.000 2.069 342 N HA -0.237 4.503 4.740 0.001 0.000 0.191 342 N C 1.903 177.426 175.510 0.022 0.000 1.031 342 N CA 1.354 54.436 53.050 0.054 0.000 0.852 342 N CB -0.240 38.248 38.487 0.001 0.000 1.018 342 N HN 0.188 nan 8.380 nan 0.000 0.423 343 L N 0.369 121.570 121.223 -0.036 0.000 2.013 343 L HA -0.126 4.214 4.340 0.001 0.000 0.212 343 L C 2.122 178.880 176.870 -0.186 0.000 1.073 343 L CA 1.813 56.560 54.840 -0.154 0.000 0.753 343 L CB -1.032 40.869 42.059 -0.264 0.000 0.890 343 L HN 0.151 nan 8.230 nan 0.000 0.432 344 S N -0.451 115.162 115.700 -0.145 0.000 2.368 344 S HA -0.153 4.318 4.470 0.001 0.000 0.225 344 S C 1.905 176.409 174.600 -0.161 0.000 1.030 344 S CA 1.769 59.877 58.200 -0.154 0.000 0.999 344 S CB -0.499 62.644 63.200 -0.094 0.000 0.844 344 S HN 0.466 nan 8.310 nan 0.000 0.459 345 L N 1.183 122.341 121.223 -0.108 0.000 2.027 345 L HA -0.132 4.209 4.340 0.001 0.000 0.206 345 L C 2.240 179.002 176.870 -0.181 0.000 1.074 345 L CA 1.140 55.862 54.840 -0.197 0.000 0.745 345 L CB -0.744 41.263 42.059 -0.088 0.000 0.898 345 L HN 0.155 nan 8.230 nan 0.000 0.433 346 D N -0.089 120.313 120.400 0.005 0.000 2.116 346 D HA -0.231 4.410 4.640 0.001 0.000 0.193 346 D C 2.298 178.609 176.300 0.018 0.000 0.998 346 D CA 1.610 55.666 54.000 0.093 0.000 0.836 346 D CB -0.080 40.752 40.800 0.054 0.000 0.951 346 D HN 0.254 nan 8.370 nan 0.000 0.449 347 M N -0.459 119.087 119.600 -0.090 0.000 2.160 347 M HA 0.017 4.497 4.480 0.001 0.000 0.264 347 M C 2.321 178.575 176.300 -0.076 0.000 1.073 347 M CA 1.406 56.641 55.300 -0.108 0.000 1.142 347 M CB -0.344 32.147 32.600 -0.182 0.000 1.358 347 M HN 0.041 nan 8.290 nan 0.000 0.422 348 G N -0.416 108.276 108.800 -0.179 0.000 2.459 348 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 348 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 348 G C 1.103 175.883 174.900 -0.201 0.000 1.183 348 G CA 0.982 45.936 45.100 -0.244 0.000 0.776 348 G HN 0.344 nan 8.290 nan 0.000 0.552 349 Y N -0.920 119.310 120.300 -0.117 0.000 2.263 349 Y HA 0.012 4.563 4.550 0.001 0.000 0.292 349 Y C 2.431 178.348 175.900 0.028 0.000 1.130 349 Y CA 0.558 58.588 58.100 -0.116 0.000 1.179 349 Y CB -0.779 37.470 38.460 -0.352 0.000 0.998 349 Y HN 0.323 nan 8.280 nan 0.000 0.532 350 Y N 0.169 120.514 120.300 0.076 0.000 2.165 350 Y HA -0.244 4.306 4.550 0.000 0.000 0.286 350 Y C 2.388 178.298 175.900 0.017 0.000 1.155 350 Y CA 1.670 59.796 58.100 0.044 0.000 1.164 350 Y CB -0.355 38.104 38.460 -0.001 0.000 0.978 350 Y HN 0.029 nan 8.280 nan 0.000 0.513 351 A N -0.387 122.513 122.820 0.133 0.000 2.072 351 A HA 0.060 4.380 4.320 0.001 0.000 0.216 351 A C 0.952 178.565 177.584 0.048 0.000 1.156 351 A CA 0.742 52.806 52.037 0.046 0.000 0.701 351 A CB -0.272 18.744 19.000 0.028 0.000 0.816 351 A HN 0.435 nan 8.150 nan 0.000 0.458 352 K N -0.605 119.853 120.400 0.096 0.000 3.241 352 K HA -0.138 4.182 4.320 0.001 0.000 0.270 352 K C -0.413 176.226 176.600 0.065 0.000 1.118 352 K CA 0.865 57.239 56.287 0.145 0.000 0.792 352 K CB -2.098 30.466 32.500 0.107 0.000 1.283 352 K HN 0.807 nan 8.250 nan 0.000 0.480 353 I N -3.464 117.143 120.570 0.062 0.000 3.206 353 I HA 0.340 4.511 4.170 0.001 0.000 0.313 353 I C 0.180 176.296 176.117 -0.001 0.000 1.103 353 I CA -1.497 59.805 61.300 0.002 0.000 0.985 353 I CB 1.298 39.302 38.000 0.007 0.000 1.240 353 I HN -0.030 nan 8.210 nan 0.000 0.464 354 Q N 1.372 121.161 119.800 -0.018 0.000 2.361 354 Q HA 0.152 4.492 4.340 0.001 0.000 0.276 354 Q C 0.855 176.843 176.000 -0.019 0.000 1.022 354 Q CA -0.383 55.427 55.803 0.012 0.000 0.898 354 Q CB 1.269 30.007 28.738 -0.001 0.000 1.246 354 Q HN 0.512 nan 8.270 nan 0.000 0.410 355 I N 2.214 122.760 120.570 -0.039 0.000 2.264 355 I HA -0.306 3.864 4.170 0.001 0.000 0.248 355 I C 2.421 178.477 176.117 -0.102 0.000 1.111 355 I CA 1.556 62.781 61.300 -0.126 0.000 1.382 355 I CB -1.292 36.617 38.000 -0.152 0.000 1.060 355 I HN 0.772 nan 8.210 nan 0.000 0.418 356 Q N 0.429 120.213 119.800 -0.026 0.000 2.437 356 Q HA -0.091 4.249 4.340 0.001 0.000 0.210 356 Q C 1.667 177.710 176.000 0.072 0.000 0.972 356 Q CA 1.239 57.069 55.803 0.046 0.000 0.903 356 Q CB -0.715 28.093 28.738 0.118 0.000 0.967 356 Q HN 0.355 nan 8.270 nan 0.000 0.486 357 S N 1.378 117.081 115.700 0.004 0.000 2.561 357 S HA -0.018 4.453 4.470 0.001 0.000 0.225 357 S C 1.890 176.479 174.600 -0.019 0.000 0.977 357 S CA 0.692 58.906 58.200 0.022 0.000 0.926 357 S CB -0.128 63.078 63.200 0.010 0.000 0.769 357 S HN 0.503 nan 8.310 nan 0.000 0.533 358 V N -1.233 118.599 119.914 -0.135 0.000 3.026 358 V HA -0.087 4.034 4.120 0.001 0.000 0.265 358 V C 1.547 177.560 176.094 -0.135 0.000 1.121 358 V CA 1.435 63.640 62.300 -0.158 0.000 1.142 358 V CB -1.318 30.380 31.823 -0.208 0.000 0.730 358 V HN 0.354 nan 8.190 nan 0.000 0.503 359 F N 1.397 121.339 119.950 -0.014 0.000 2.407 359 F HA 0.197 4.725 4.527 0.002 0.000 0.299 359 F C 1.804 177.567 175.800 -0.063 0.000 1.097 359 F CA 1.159 59.103 58.000 -0.094 0.000 1.422 359 F CB -0.320 38.594 39.000 -0.144 0.000 1.067 359 F HN 0.277 nan 8.300 nan 0.000 0.539 360 S N 1.683 117.462 115.700 0.131 0.000 2.520 360 S HA 0.282 4.752 4.470 0.001 0.000 0.324 360 S C -1.605 173.052 174.600 0.095 0.000 1.069 360 S CA -1.717 56.541 58.200 0.097 0.000 1.121 360 S CB 0.955 64.205 63.200 0.083 0.000 0.971 360 S HN -0.178 nan 8.310 nan 0.000 0.463 361 P HA -0.010 nan 4.420 nan 0.000 0.223 361 P C 1.415 178.861 177.300 0.243 0.000 1.151 361 P CA 0.697 63.897 63.100 0.166 0.000 0.787 361 P CB 0.130 31.961 31.700 0.218 0.000 0.788 362 I N -0.084 120.597 120.570 0.186 0.000 2.202 362 I HA -0.225 3.946 4.170 0.001 0.000 0.242 362 I C 2.584 178.901 176.117 0.332 0.000 1.091 362 I CA 1.425 62.878 61.300 0.255 0.000 1.368 362 I CB -0.321 37.831 38.000 0.253 0.000 1.058 362 I HN -0.092 nan 8.210 nan 0.000 0.410 363 K N 0.878 121.404 120.400 0.209 0.000 2.057 363 K HA -0.126 4.195 4.320 0.001 0.000 0.206 363 K C 1.964 178.664 176.600 0.166 0.000 1.050 363 K CA 1.929 58.318 56.287 0.169 0.000 0.935 363 K CB -0.612 31.944 32.500 0.093 0.000 0.715 363 K HN 0.144 nan 8.250 nan 0.000 0.439 364 T N -0.317 114.300 114.554 0.104 0.000 2.652 364 T HA -0.168 4.182 4.350 0.001 0.000 0.267 364 T C 1.495 176.213 174.700 0.030 0.000 1.039 364 T CA 1.947 64.043 62.100 -0.008 0.000 1.153 364 T CB -0.461 68.311 68.868 -0.159 0.000 0.863 364 T HN 0.421 nan 8.240 nan 0.000 0.428 365 W N 1.027 122.460 121.300 0.222 0.000 2.436 365 W HA 0.039 4.699 4.660 0.000 0.000 0.284 365 W C 2.260 179.021 176.519 0.402 0.000 1.225 365 W CA 0.153 57.675 57.345 0.296 0.000 1.271 365 W CB -0.220 29.407 29.460 0.279 0.000 1.114 365 W HN 0.253 nan 8.180 nan 0.000 0.559 366 D N 0.099 120.882 120.400 0.638 0.000 2.144 366 D HA -0.182 4.458 4.640 0.001 0.000 0.199 366 D C 2.194 178.746 176.300 0.420 0.000 0.984 366 D CA 1.915 56.221 54.000 0.510 0.000 0.834 366 D CB -0.265 40.748 40.800 0.355 0.000 0.955 366 D HN 0.021 nan 8.370 nan 0.000 0.465 367 A N -0.081 122.938 122.820 0.331 0.000 1.897 367 A HA -0.044 4.276 4.320 0.001 0.000 0.215 367 A C 2.412 180.163 177.584 0.278 0.000 1.181 367 A CA 0.864 53.090 52.037 0.316 0.000 0.620 367 A CB -0.635 18.484 19.000 0.198 0.000 0.821 367 A HN 0.308 nan 8.150 nan 0.000 0.443 368 I N -0.306 120.399 120.570 0.224 0.000 2.142 368 I HA -0.270 3.901 4.170 0.001 0.000 0.240 368 I C 2.325 178.572 176.117 0.217 0.000 1.078 368 I CA 1.510 62.911 61.300 0.168 0.000 1.343 368 I CB -0.362 37.738 38.000 0.167 0.000 1.046 368 I HN 0.287 nan 8.210 nan 0.000 0.405 369 I N 0.175 120.945 120.570 0.333 0.000 2.252 369 I HA -0.318 3.853 4.170 0.001 0.000 0.245 369 I C 2.543 178.798 176.117 0.231 0.000 1.102 369 I CA 1.511 62.956 61.300 0.242 0.000 1.385 369 I CB -0.409 37.704 38.000 0.188 0.000 1.064 369 I HN 0.179 nan 8.210 nan 0.000 0.414 370 F N 2.111 122.171 119.950 0.184 0.000 2.065 370 F HA -0.343 4.185 4.527 0.001 0.000 0.298 370 F C 2.447 178.309 175.800 0.103 0.000 1.112 370 F CA 1.868 59.957 58.000 0.149 0.000 1.212 370 F CB -0.319 38.769 39.000 0.147 0.000 0.975 370 F HN 0.089 nan 8.300 nan 0.000 0.476 371 N N -0.009 118.504 118.700 -0.312 0.000 2.166 371 N HA -0.197 4.543 4.740 0.001 0.000 0.186 371 N C 2.088 177.464 175.510 -0.224 0.000 1.019 371 N CA 1.402 54.200 53.050 -0.420 0.000 0.856 371 N CB -0.427 37.935 38.487 -0.207 0.000 0.993 371 N HN 0.344 nan 8.380 nan 0.000 0.426 372 S N 0.903 116.549 115.700 -0.089 0.000 2.368 372 S HA 0.026 4.497 4.470 0.001 0.000 0.225 372 S C 2.063 176.635 174.600 -0.046 0.000 1.030 372 S CA 0.716 58.892 58.200 -0.041 0.000 0.999 372 S CB -0.071 63.139 63.200 0.018 0.000 0.844 372 S HN 0.204 nan 8.310 nan 0.000 0.459 373 L N 1.002 122.204 121.223 -0.035 0.000 2.131 373 L HA 0.035 4.376 4.340 0.001 0.000 0.206 373 L C 2.565 179.421 176.870 -0.024 0.000 1.087 373 L CA 1.223 56.058 54.840 -0.009 0.000 0.767 373 L CB -0.455 41.632 42.059 0.046 0.000 0.917 373 L HN 0.316 nan 8.230 nan 0.000 0.441 374 K N 0.247 120.584 120.400 -0.106 0.000 2.152 374 K HA -0.215 4.105 4.320 0.001 0.000 0.206 374 K C 1.935 178.507 176.600 -0.046 0.000 1.048 374 K CA 1.268 57.494 56.287 -0.102 0.000 0.933 374 K CB 0.106 32.404 32.500 -0.337 0.000 0.721 374 K HN 0.155 nan 8.250 nan 0.000 0.447 375 E N 0.847 121.006 120.200 -0.069 0.000 2.204 375 E HA -0.161 4.190 4.350 0.001 0.000 0.194 375 E C 1.362 177.960 176.600 -0.003 0.000 0.989 375 E CA 1.156 57.537 56.400 -0.031 0.000 0.824 375 E CB 0.088 29.766 29.700 -0.037 0.000 0.756 375 E HN 0.550 nan 8.360 nan 0.000 0.477 376 Q N 0.284 120.084 119.800 -0.000 0.000 2.280 376 Q HA 0.107 4.448 4.340 0.001 0.000 0.202 376 Q C -0.194 175.830 176.000 0.039 0.000 0.903 376 Q CA -0.251 55.559 55.803 0.012 0.000 0.948 376 Q CB 0.297 29.037 28.738 0.003 0.000 1.058 376 Q HN 0.103 nan 8.270 nan 0.000 0.493 377 N N 1.277 120.011 118.700 0.057 0.000 2.714 377 N HA -0.155 4.585 4.740 0.001 0.000 0.250 377 N C -0.920 174.675 175.510 0.141 0.000 1.117 377 N CA 1.168 54.285 53.050 0.111 0.000 0.719 377 N CB -0.741 37.772 38.487 0.043 0.000 1.081 377 N HN 0.384 nan 8.380 nan 0.000 0.557 378 K N 0.214 120.666 120.400 0.086 0.000 2.098 378 K HA 0.551 4.871 4.320 0.001 0.000 0.261 378 K C 0.218 176.811 176.600 -0.012 0.000 0.987 378 K CA -0.544 55.783 56.287 0.067 0.000 0.916 378 K CB 1.706 34.235 32.500 0.048 0.000 1.039 378 K HN -0.179 nan 8.250 nan 0.000 0.455 379 V N 3.959 123.827 119.914 -0.076 0.000 2.417 379 V HA 0.275 4.395 4.120 0.001 0.000 0.291 379 V C 0.211 176.291 176.094 -0.023 0.000 1.024 379 V CA -0.942 61.229 62.300 -0.216 0.000 0.861 379 V CB 1.072 32.596 31.823 -0.500 0.000 0.985 379 V HN 0.651 nan 8.190 nan 0.000 0.436 380 I N 4.443 125.052 120.570 0.064 0.000 2.638 380 I HA 0.509 4.680 4.170 0.001 0.000 0.286 380 I C -2.133 174.022 176.117 0.063 0.000 1.088 380 I CA -1.785 59.590 61.300 0.125 0.000 1.397 380 I CB 1.024 39.151 38.000 0.211 0.000 1.414 380 I HN 0.377 nan 8.210 nan 0.000 0.566 381 P HA 0.062 nan 4.420 nan 0.000 0.274 381 P C -1.136 176.143 177.300 -0.034 0.000 1.237 381 P CA -0.271 62.845 63.100 0.027 0.000 0.793 381 P CB 0.722 32.448 31.700 0.044 0.000 0.977 382 Q N 0.521 120.321 119.800 -0.000 0.000 2.352 382 Q HA 0.357 4.697 4.340 0.001 0.000 0.260 382 Q C 0.406 176.372 176.000 -0.057 0.000 0.976 382 Q CA -0.334 55.454 55.803 -0.025 0.000 0.881 382 Q CB 0.237 28.969 28.738 -0.010 0.000 1.235 382 Q HN 0.603 nan 8.270 nan 0.000 0.419 383 G N 3.207 111.966 108.800 -0.068 0.000 2.406 383 G HA2 0.314 4.275 3.960 0.001 0.000 0.251 383 G HA3 0.314 4.275 3.960 0.001 0.000 0.251 383 G C -0.746 174.119 174.900 -0.058 0.000 1.271 383 G CA -0.385 44.682 45.100 -0.055 0.000 0.859 383 G HN 0.631 nan 8.290 nan 0.000 0.540 384 R N 0.304 120.754 120.500 -0.083 0.000 2.854 384 R HA 0.540 4.881 4.340 0.001 0.000 0.271 384 R C 0.205 176.232 176.300 -0.454 0.000 0.996 384 R CA -0.684 55.270 56.100 -0.244 0.000 0.961 384 R CB 1.865 31.990 30.300 -0.291 0.000 1.182 384 R HN 0.671 nan 8.270 nan 0.000 0.479 385 S N 1.082 116.496 115.700 -0.477 0.000 2.565 385 S HA 0.303 4.773 4.470 0.001 0.000 0.276 385 S C -0.399 173.743 174.600 -0.764 0.000 1.326 385 S CA -0.434 57.454 58.200 -0.521 0.000 1.045 385 S CB 0.645 63.657 63.200 -0.314 0.000 0.918 385 S HN 0.516 nan 8.310 nan 0.000 0.505 386 H N 1.659 120.488 119.070 -0.400 0.000 2.806 386 H HA 0.495 5.051 4.556 0.001 0.000 0.367 386 H C -2.614 172.521 175.328 -0.322 0.000 1.136 386 H CA -1.528 54.320 56.048 -0.332 0.000 1.178 386 H CB 1.601 31.077 29.762 -0.477 0.000 1.718 386 H HN 0.574 nan 8.280 nan 0.000 0.540 387 P HA 0.080 nan 4.420 nan 0.000 0.275 387 P C -0.008 177.262 177.300 -0.050 0.000 1.227 387 P CA -0.499 62.564 63.100 -0.062 0.000 0.781 387 P CB 1.111 32.803 31.700 -0.013 0.000 0.906 388 V N 3.894 123.781 119.914 -0.046 0.000 2.479 388 V HA 0.028 4.149 4.120 0.001 0.000 0.281 388 V C 0.728 176.864 176.094 0.070 0.000 1.031 388 V CA 0.438 62.741 62.300 0.005 0.000 1.038 388 V CB -0.449 31.386 31.823 0.020 0.000 0.981 388 V HN 0.515 nan 8.190 nan 0.000 0.478 389 Q N 5.522 125.405 119.800 0.138 0.000 2.310 389 Q HA 0.417 4.758 4.340 0.001 0.000 0.270 389 Q C -2.522 173.610 176.000 0.220 0.000 1.025 389 Q CA -1.828 54.068 55.803 0.156 0.000 0.772 389 Q CB 2.245 31.076 28.738 0.155 0.000 1.253 389 Q HN 0.544 nan 8.270 nan 0.000 0.450 390 P HA -0.006 nan 4.420 nan 0.000 0.269 390 P C -1.432 176.000 177.300 0.220 0.000 1.209 390 P CA 0.248 63.430 63.100 0.137 0.000 0.776 390 P CB 0.191 31.933 31.700 0.071 0.000 0.876 391 Y N 0.204 120.537 120.300 0.055 0.000 2.588 391 Y HA 0.737 5.287 4.550 0.000 0.000 0.343 391 Y C -2.791 173.140 175.900 0.052 0.000 1.065 391 Y CA -2.975 55.151 58.100 0.043 0.000 1.038 391 Y CB -0.355 38.121 38.460 0.028 0.000 1.297 391 Y HN 0.216 nan 8.280 nan 0.000 0.467 392 P HA 0.454 nan 4.420 nan 0.000 0.279 392 P C -0.238 177.124 177.300 0.104 0.000 1.239 392 P CA 0.010 63.165 63.100 0.092 0.000 0.789 392 P CB 1.779 33.553 31.700 0.123 0.000 0.933 393 G N 0.719 109.556 108.800 0.061 0.000 3.410 393 G HA2 0.589 4.549 3.960 0.001 0.000 0.189 393 G HA3 0.589 4.549 3.960 0.001 0.000 0.189 393 G C -0.521 174.490 174.900 0.184 0.000 1.404 393 G CA -0.131 45.041 45.100 0.120 0.000 0.898 393 G HN 0.737 nan 8.290 nan 0.000 0.650 394 A N -0.848 122.094 122.820 0.203 0.000 2.271 394 A HA 0.620 4.941 4.320 0.001 0.000 0.288 394 A C -1.012 176.709 177.584 0.228 0.000 1.094 394 A CA -0.454 51.727 52.037 0.240 0.000 0.828 394 A CB 0.553 19.684 19.000 0.218 0.000 1.091 394 A HN 0.723 nan 8.150 nan 0.000 0.493 395 F N 1.575 121.587 119.950 0.104 0.000 2.408 395 F HA 0.566 5.093 4.527 0.001 0.000 0.344 395 F C -0.566 175.268 175.800 0.056 0.000 1.112 395 F CA -0.480 57.568 58.000 0.080 0.000 1.096 395 F CB 1.264 40.311 39.000 0.079 0.000 1.129 395 F HN 0.262 nan 8.300 nan 0.000 0.486 396 V N 6.525 125.993 119.914 -0.743 0.000 2.487 396 V HA 0.301 4.421 4.120 0.001 0.000 0.298 396 V C -0.268 175.212 176.094 -1.023 0.000 1.028 396 V CA -1.240 60.667 62.300 -0.655 0.000 0.860 396 V CB 1.453 33.148 31.823 -0.213 0.000 0.991 396 V HN 0.752 nan 8.190 nan 0.000 0.427 397 K N 2.631 122.552 120.400 -0.799 0.000 2.270 397 K HA 0.249 4.570 4.320 0.001 0.000 0.276 397 K C -0.038 176.520 176.600 -0.069 0.000 1.023 397 K CA -0.385 55.661 56.287 -0.402 0.000 0.955 397 K CB 0.848 33.285 32.500 -0.104 0.000 0.975 397 K HN 0.755 nan 8.250 nan 0.000 0.471 398 E N 5.717 125.923 120.200 0.011 0.000 2.129 398 E HA 0.151 4.501 4.350 0.001 0.000 0.283 398 E C -2.252 174.413 176.600 0.108 0.000 1.080 398 E CA -1.966 54.486 56.400 0.087 0.000 0.867 398 E CB 0.632 30.374 29.700 0.070 0.000 1.056 398 E HN 0.282 nan 8.360 nan 0.000 0.404 399 P HA 0.215 nan 4.420 nan 0.000 0.282 399 P C -0.414 176.928 177.300 0.070 0.000 1.249 399 P CA -0.358 62.753 63.100 0.018 0.000 0.806 399 P CB 0.818 32.399 31.700 -0.197 0.000 0.984 400 I N 4.290 124.916 120.570 0.092 0.000 2.505 400 I HA 0.079 4.250 4.170 0.001 0.000 0.287 400 I C -1.871 174.373 176.117 0.211 0.000 1.104 400 I CA -1.734 59.648 61.300 0.137 0.000 1.387 400 I CB -0.021 38.057 38.000 0.129 0.000 1.404 400 I HN 0.142 nan 8.210 nan 0.000 0.528 401 P HA 0.163 nan 4.420 nan 0.000 0.267 401 P C -0.661 176.732 177.300 0.156 0.000 1.209 401 P CA 0.139 63.371 63.100 0.221 0.000 0.763 401 P CB 0.555 32.350 31.700 0.159 0.000 0.816 402 N N 1.219 120.036 118.700 0.195 0.000 3.501 402 N HA 0.166 4.907 4.740 0.001 0.000 0.235 402 N C -1.466 174.040 175.510 -0.007 0.000 1.442 402 N CA -0.896 52.119 53.050 -0.059 0.000 0.872 402 N CB 1.195 39.443 38.487 -0.399 0.000 1.414 402 N HN 0.254 nan 8.380 nan 0.000 0.485 403 R N 0.481 120.905 120.500 -0.126 0.000 2.490 403 R HA 0.505 4.846 4.340 0.001 0.000 0.278 403 R C -1.084 175.065 176.300 -0.252 0.000 1.069 403 R CA -0.061 56.038 56.100 -0.002 0.000 1.080 403 R CB 0.463 30.763 30.300 0.001 0.000 1.030 403 R HN 0.484 nan 8.270 nan 0.000 0.491 404 Y N 1.177 121.599 120.300 0.202 0.000 2.329 404 Y HA 0.245 4.796 4.550 0.001 0.000 0.328 404 Y C 0.849 176.815 175.900 0.110 0.000 0.992 404 Y CA -0.892 57.303 58.100 0.159 0.000 1.151 404 Y CB 2.218 40.805 38.460 0.212 0.000 1.150 404 Y HN 0.710 nan 8.280 nan 0.000 0.450 405 K N 2.326 122.807 120.400 0.135 0.000 1.980 405 K HA 0.012 4.333 4.320 0.001 0.000 0.208 405 K C -0.660 175.814 176.600 -0.210 0.000 1.043 405 K CA 1.298 57.531 56.287 -0.091 0.000 0.938 405 K CB 0.115 32.516 32.500 -0.165 0.000 0.724 405 K HN 0.638 nan 8.250 nan 0.000 0.438 406 Y N 0.350 120.702 120.300 0.086 0.000 2.328 406 Y HA 0.355 4.905 4.550 0.001 0.000 0.336 406 Y C -0.888 175.113 175.900 0.167 0.000 0.960 406 Y CA -1.055 57.074 58.100 0.049 0.000 1.134 406 Y CB 1.992 40.384 38.460 -0.113 0.000 1.166 406 Y HN -0.258 nan 8.280 nan 0.000 0.464 407 V N 5.147 125.280 119.914 0.366 0.000 2.709 407 V HA 0.485 4.605 4.120 0.001 0.000 0.308 407 V C -0.404 175.879 176.094 0.315 0.000 1.062 407 V CA -0.963 61.544 62.300 0.345 0.000 0.901 407 V CB 2.073 34.134 31.823 0.396 0.000 1.003 407 V HN 0.782 nan 8.190 nan 0.000 0.425 408 M N 3.618 123.373 119.600 0.258 0.000 2.393 408 M HA 0.592 5.072 4.480 0.001 0.000 0.316 408 M C -0.342 175.961 176.300 0.005 0.000 1.087 408 M CA -0.312 55.053 55.300 0.109 0.000 0.937 408 M CB 2.456 35.131 32.600 0.125 0.000 1.668 408 M HN 0.837 nan 8.290 nan 0.000 0.438 409 S N 2.059 117.599 115.700 -0.265 0.000 2.607 409 S HA 0.891 5.362 4.470 0.001 0.000 0.303 409 S C -1.103 173.109 174.600 -0.647 0.000 1.086 409 S CA -0.624 57.315 58.200 -0.435 0.000 0.995 409 S CB 1.679 64.498 63.200 -0.636 0.000 1.084 409 S HN 0.504 nan 8.310 nan 0.000 0.507 410 F N 0.115 119.953 119.950 -0.187 0.000 2.591 410 F HA 0.608 5.135 4.527 0.001 0.000 0.309 410 F C -0.544 175.228 175.800 -0.046 0.000 1.098 410 F CA -0.505 57.460 58.000 -0.058 0.000 0.937 410 F CB 2.443 41.441 39.000 -0.003 0.000 1.250 410 F HN 0.811 nan 8.300 nan 0.000 0.447 411 D N 1.932 122.439 120.400 0.179 0.000 2.857 411 D HA 0.549 5.190 4.640 0.001 0.000 0.227 411 D C -1.500 174.884 176.300 0.139 0.000 1.192 411 D CA -0.321 53.753 54.000 0.124 0.000 0.857 411 D CB 1.743 42.582 40.800 0.065 0.000 1.645 411 D HN 0.439 nan 8.370 nan 0.000 0.482 412 L N 2.400 123.690 121.223 0.112 0.000 2.380 412 L HA 0.340 4.681 4.340 0.001 0.000 0.273 412 L C 0.439 177.337 176.870 0.047 0.000 1.138 412 L CA -0.233 54.644 54.840 0.060 0.000 0.832 412 L CB 1.222 43.280 42.059 -0.002 0.000 1.124 412 L HN 0.443 nan 8.230 nan 0.000 0.454 413 T N 1.724 116.311 114.554 0.055 0.000 2.834 413 T HA -0.001 4.349 4.350 0.001 0.000 0.298 413 T C 0.678 175.383 174.700 0.009 0.000 0.966 413 T CA -0.118 62.031 62.100 0.083 0.000 1.141 413 T CB 0.836 69.814 68.868 0.184 0.000 0.905 413 T HN 0.725 nan 8.240 nan 0.000 0.535 414 S N 2.003 117.730 115.700 0.044 0.000 3.447 414 S HA -0.147 4.324 4.470 0.001 0.000 0.371 414 S C 1.034 175.588 174.600 -0.076 0.000 0.951 414 S CA 0.174 58.380 58.200 0.010 0.000 1.269 414 S CB -1.228 62.014 63.200 0.070 0.000 0.919 414 S HN 0.668 nan 8.310 nan 0.000 0.516 415 L N 3.374 124.576 121.223 -0.035 0.000 1.955 415 L HA -0.029 4.312 4.340 0.001 0.000 0.213 415 L C 1.891 178.825 176.870 0.107 0.000 1.072 415 L CA 2.250 57.095 54.840 0.008 0.000 0.755 415 L CB -0.749 41.352 42.059 0.070 0.000 0.888 415 L HN 0.668 nan 8.230 nan 0.000 0.432 416 Y N 0.061 120.313 120.300 -0.079 0.000 2.128 416 Y HA -0.124 4.427 4.550 0.001 0.000 0.284 416 Y C -0.058 175.741 175.900 -0.167 0.000 1.154 416 Y CA 1.080 59.123 58.100 -0.095 0.000 1.149 416 Y CB -2.606 35.825 38.460 -0.048 0.000 0.976 416 Y HN 0.313 nan 8.280 nan 0.000 0.505 417 P HA -0.113 nan 4.420 nan 0.000 0.216 417 P C 1.881 179.014 177.300 -0.278 0.000 1.150 417 P CA 2.282 65.294 63.100 -0.148 0.000 0.837 417 P CB -0.010 31.615 31.700 -0.125 0.000 0.786 418 S N -0.883 114.623 115.700 -0.323 0.000 2.382 418 S HA -0.091 4.379 4.470 0.001 0.000 0.228 418 S C 1.869 176.240 174.600 -0.382 0.000 1.027 418 S CA 0.960 58.908 58.200 -0.420 0.000 0.991 418 S CB -1.004 61.931 63.200 -0.441 0.000 0.823 418 S HN 0.124 nan 8.310 nan 0.000 0.469 419 I N 1.252 121.632 120.570 -0.317 0.000 2.202 419 I HA -0.160 4.011 4.170 0.001 0.000 0.242 419 I C 2.009 177.825 176.117 -0.501 0.000 1.091 419 I CA 1.109 62.142 61.300 -0.445 0.000 1.368 419 I CB -0.391 37.394 38.000 -0.358 0.000 1.058 419 I HN 0.245 nan 8.210 nan 0.000 0.410 420 I N 0.518 120.855 120.570 -0.389 0.000 2.194 420 I HA -0.327 3.843 4.170 0.001 0.000 0.246 420 I C 2.733 178.630 176.117 -0.367 0.000 1.093 420 I CA 1.591 62.662 61.300 -0.383 0.000 1.355 420 I CB -0.412 37.408 38.000 -0.299 0.000 1.046 420 I HN 0.202 nan 8.210 nan 0.000 0.413 421 R N 0.120 120.421 120.500 -0.332 0.000 2.073 421 R HA -0.181 4.159 4.340 0.001 0.000 0.229 421 R C 2.319 178.445 176.300 -0.290 0.000 1.120 421 R CA 1.337 57.268 56.100 -0.282 0.000 0.967 421 R CB -0.340 29.794 30.300 -0.277 0.000 0.862 421 R HN 0.409 nan 8.270 nan 0.000 0.436 422 Q N 0.715 120.302 119.800 -0.355 0.000 2.050 422 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 422 Q C 1.797 177.596 176.000 -0.334 0.000 0.980 422 Q CA 1.717 57.320 55.803 -0.334 0.000 0.840 422 Q CB 0.155 28.664 28.738 -0.382 0.000 0.898 422 Q HN 0.143 nan 8.270 nan 0.000 0.424 423 V N 0.773 120.401 119.914 -0.476 0.000 2.788 423 V HA -0.059 4.062 4.120 0.001 0.000 0.251 423 V C 0.550 176.413 176.094 -0.384 0.000 1.068 423 V CA 1.003 63.024 62.300 -0.464 0.000 1.090 423 V CB -0.745 30.675 31.823 -0.671 0.000 0.710 423 V HN 0.709 nan 8.190 nan 0.000 0.467 424 N N -0.322 118.142 118.700 -0.393 0.000 2.862 424 N HA -0.173 4.567 4.740 0.001 0.000 0.246 424 N C -0.470 174.741 175.510 -0.498 0.000 1.111 424 N CA 0.217 53.081 53.050 -0.309 0.000 0.688 424 N CB -1.546 36.868 38.487 -0.121 0.000 1.018 424 N HN 0.521 nan 8.380 nan 0.000 0.556 425 I N 0.334 120.483 120.570 -0.702 0.000 2.436 425 I HA 0.268 4.439 4.170 0.001 0.000 0.289 425 I C 0.743 176.639 176.117 -0.369 0.000 1.083 425 I CA 0.184 60.967 61.300 -0.862 0.000 1.372 425 I CB 1.034 38.586 38.000 -0.746 0.000 1.408 425 I HN 0.241 nan 8.210 nan 0.000 0.516 426 S N 7.188 122.789 115.700 -0.165 0.000 2.565 426 S HA 0.437 4.907 4.470 0.001 0.000 0.269 426 S C -2.064 172.556 174.600 0.034 0.000 1.153 426 S CA -0.991 57.160 58.200 -0.081 0.000 0.835 426 S CB 1.921 65.071 63.200 -0.083 0.000 1.122 426 S HN 0.347 nan 8.310 nan 0.000 0.462 427 P HA -0.081 nan 4.420 nan 0.000 0.218 427 P C 0.816 178.192 177.300 0.126 0.000 1.149 427 P CA 1.100 64.255 63.100 0.092 0.000 0.817 427 P CB 0.007 31.769 31.700 0.104 0.000 0.785 428 E N 0.450 120.663 120.200 0.023 0.000 2.479 428 E HA -0.004 4.346 4.350 0.001 0.000 0.193 428 E C 0.802 177.497 176.600 0.158 0.000 1.049 428 E CA 0.733 57.152 56.400 0.032 0.000 0.870 428 E CB -0.937 28.694 29.700 -0.116 0.000 0.944 428 E HN 0.255 nan 8.360 nan 0.000 0.492 429 T N -1.541 113.129 114.554 0.192 0.000 3.054 429 T HA 0.334 4.684 4.350 0.001 0.000 0.255 429 T C 0.988 175.807 174.700 0.198 0.000 1.035 429 T CA -0.484 61.797 62.100 0.303 0.000 0.941 429 T CB -0.413 68.605 68.868 0.249 0.000 1.026 429 T HN 0.038 nan 8.240 nan 0.000 0.533 430 I N 2.266 122.877 120.570 0.067 0.000 2.662 430 I HA 0.184 4.355 4.170 0.001 0.000 0.285 430 I C 1.573 177.377 176.117 -0.522 0.000 1.161 430 I CA -0.216 60.902 61.300 -0.303 0.000 1.415 430 I CB 0.725 38.603 38.000 -0.203 0.000 1.385 430 I HN 0.316 nan 8.210 nan 0.000 0.552 431 A N 5.154 127.435 122.820 -0.899 0.000 2.014 431 A HA 0.565 4.885 4.320 0.001 0.000 0.210 431 A C 1.065 178.183 177.584 -0.777 0.000 1.188 431 A CA 0.915 52.191 52.037 -1.269 0.000 0.731 431 A CB 0.097 17.934 19.000 -1.938 0.000 0.858 431 A HN 0.897 nan 8.150 nan 0.000 0.464 432 G N -1.875 106.573 108.800 -0.587 0.000 2.404 432 G HA2 0.456 4.417 3.960 0.001 0.000 0.253 432 G HA3 0.456 4.417 3.960 0.001 0.000 0.253 432 G C -0.479 174.247 174.900 -0.289 0.000 1.253 432 G CA 0.317 45.204 45.100 -0.355 0.000 0.917 432 G HN 1.016 nan 8.290 nan 0.000 0.480 433 T N -1.716 112.735 114.554 -0.172 0.000 2.887 433 T HA 0.842 5.193 4.350 0.001 0.000 0.292 433 T C -0.754 173.949 174.700 0.005 0.000 1.087 433 T CA -0.323 61.683 62.100 -0.156 0.000 1.009 433 T CB 2.104 70.849 68.868 -0.204 0.000 1.203 433 T HN 1.796 nan 8.240 nan 0.000 0.518 434 F N -1.320 118.588 119.950 -0.071 0.000 2.620 434 F HA 0.737 5.265 4.527 0.001 0.000 0.320 434 F C -0.354 175.441 175.800 -0.007 0.000 1.069 434 F CA -1.546 56.438 58.000 -0.027 0.000 0.953 434 F CB 1.380 40.374 39.000 -0.011 0.000 1.322 434 F HN 0.412 nan 8.300 nan 0.000 0.479 435 K N 2.266 122.761 120.400 0.157 0.000 2.436 435 K HA 0.104 4.424 4.320 0.001 0.000 0.282 435 K C 0.719 177.411 176.600 0.152 0.000 1.044 435 K CA 0.123 56.459 56.287 0.082 0.000 1.028 435 K CB 1.752 34.321 32.500 0.115 0.000 0.919 435 K HN 0.789 nan 8.250 nan 0.000 0.474 436 V N 3.540 123.452 119.914 -0.003 0.000 2.238 436 V HA -0.052 4.069 4.120 0.001 0.000 0.235 436 V C 0.240 176.509 176.094 0.292 0.000 1.037 436 V CA 2.167 64.519 62.300 0.087 0.000 0.991 436 V CB -0.345 31.454 31.823 -0.040 0.000 0.638 436 V HN 1.085 nan 8.190 nan 0.000 0.457 437 A N -1.078 121.833 122.820 0.152 0.000 2.435 437 A HA 0.063 4.384 4.320 0.001 0.000 0.686 437 A C -2.602 175.039 177.584 0.095 0.000 0.138 437 A CA -0.266 51.813 52.037 0.070 0.000 0.024 437 A CB -2.481 16.478 19.000 -0.068 0.000 3.974 437 A HN 0.542 nan 8.150 nan 0.000 0.548 438 P HA 0.364 nan 4.420 nan 0.000 0.268 438 P C 1.182 178.566 177.300 0.139 0.000 1.205 438 P CA -0.347 62.808 63.100 0.092 0.000 0.771 438 P CB 0.483 32.228 31.700 0.076 0.000 0.858 439 L N 2.945 124.295 121.223 0.210 0.000 2.081 439 L HA -0.228 4.112 4.340 0.001 0.000 0.212 439 L C 2.305 179.312 176.870 0.228 0.000 1.080 439 L CA 1.882 56.889 54.840 0.279 0.000 0.754 439 L CB -1.232 40.935 42.059 0.180 0.000 0.893 439 L HN 0.552 nan 8.230 nan 0.000 0.433 440 H N -0.887 118.222 119.070 0.066 0.000 2.426 440 H HA -0.189 4.368 4.556 0.001 0.000 0.298 440 H C 1.422 176.766 175.328 0.025 0.000 1.107 440 H CA 1.965 58.030 56.048 0.029 0.000 1.298 440 H CB 0.002 29.767 29.762 0.006 0.000 1.377 440 H HN 0.420 nan 8.280 nan 0.000 0.519 441 D N -0.120 120.264 120.400 -0.027 0.000 2.178 441 D HA -0.104 4.537 4.640 0.001 0.000 0.202 441 D C 1.911 178.140 176.300 -0.118 0.000 0.974 441 D CA 0.777 54.684 54.000 -0.155 0.000 0.841 441 D CB -0.383 40.304 40.800 -0.187 0.000 0.953 441 D HN 0.461 nan 8.370 nan 0.000 0.478 442 Y N 0.680 121.066 120.300 0.143 0.000 2.220 442 Y HA 0.039 4.590 4.550 0.001 0.000 0.291 442 Y C 2.376 178.501 175.900 0.376 0.000 1.129 442 Y CA 0.214 58.490 58.100 0.294 0.000 1.161 442 Y CB -0.538 38.008 38.460 0.142 0.000 0.997 442 Y HN -0.078 nan 8.280 nan 0.000 0.522 443 I N 0.365 121.132 120.570 0.327 0.000 2.248 443 I HA -0.360 3.810 4.170 0.001 0.000 0.248 443 I C 1.049 177.166 176.117 0.000 0.000 1.107 443 I CA 1.566 62.993 61.300 0.212 0.000 1.373 443 I CB -0.285 37.728 38.000 0.021 0.000 1.055 443 I HN 0.284 nan 8.210 nan 0.000 0.418 444 N N 0.805 119.432 118.700 -0.123 0.000 2.235 444 N HA 0.250 4.991 4.740 0.001 0.000 0.209 444 N C 0.654 176.060 175.510 -0.173 0.000 1.122 444 N CA 0.726 53.632 53.050 -0.240 0.000 0.845 444 N CB 0.637 38.927 38.487 -0.328 0.000 1.004 444 N HN 0.242 nan 8.380 nan 0.000 0.499 445 A N 0.290 123.112 122.820 0.003 0.000 2.704 445 A HA -0.193 4.127 4.320 0.001 0.000 0.299 445 A C 1.260 178.789 177.584 -0.093 0.000 1.507 445 A CA 1.158 53.150 52.037 -0.074 0.000 0.776 445 A CB -2.108 16.743 19.000 -0.248 0.000 1.027 445 A HN 0.309 nan 8.150 nan 0.000 0.475 446 V N -4.452 115.455 119.914 -0.013 0.000 3.635 446 V HA 0.685 4.805 4.120 0.001 0.000 0.266 446 V C 1.166 177.267 176.094 0.011 0.000 1.316 446 V CA 0.761 63.045 62.300 -0.026 0.000 1.060 446 V CB -0.486 31.305 31.823 -0.053 0.000 0.820 446 V HN 1.979 nan 8.190 nan 0.000 0.447 447 A N 1.010 123.845 122.820 0.024 0.000 2.386 447 A HA 0.330 4.651 4.320 0.001 0.000 0.248 447 A C 0.404 178.068 177.584 0.134 0.000 1.082 447 A CA -0.068 51.938 52.037 -0.051 0.000 0.789 447 A CB -0.021 18.674 19.000 -0.509 0.000 1.025 447 A HN 0.607 nan 8.150 nan 0.000 0.490 448 E N 0.490 120.739 120.200 0.080 0.000 2.568 448 E HA -0.038 4.313 4.350 0.001 0.000 0.262 448 E C 0.449 177.146 176.600 0.161 0.000 0.961 448 E CA 0.063 56.530 56.400 0.112 0.000 0.945 448 E CB 0.306 30.048 29.700 0.071 0.000 0.924 448 E HN 0.537 nan 8.360 nan 0.000 0.467 449 R N 5.003 125.609 120.500 0.176 0.000 2.502 449 R HA -0.026 4.314 4.340 0.001 0.000 0.292 449 R C -1.749 174.473 176.300 -0.130 0.000 0.998 449 R CA -0.800 55.351 56.100 0.085 0.000 1.056 449 R CB 0.442 30.814 30.300 0.121 0.000 0.939 449 R HN 0.419 nan 8.270 nan 0.000 0.411 450 P HA -0.113 nan 4.420 nan 0.000 0.215 450 P C -0.320 176.661 177.300 -0.531 0.000 1.157 450 P CA 1.063 63.670 63.100 -0.822 0.000 0.868 450 P CB 0.268 31.132 31.700 -1.393 0.000 0.788 451 S N -2.098 113.405 115.700 -0.329 0.000 2.547 451 S HA 0.331 4.802 4.470 0.001 0.000 0.270 451 S C -1.256 173.274 174.600 -0.117 0.000 1.150 451 S CA -0.590 57.510 58.200 -0.167 0.000 0.850 451 S CB 0.734 63.871 63.200 -0.103 0.000 1.118 451 S HN -0.018 nan 8.310 nan 0.000 0.461 452 D N 2.013 122.354 120.400 -0.099 0.000 2.440 452 D HA 0.260 4.901 4.640 0.001 0.000 0.216 452 D C 0.886 177.106 176.300 -0.134 0.000 1.150 452 D CA 0.007 53.954 54.000 -0.089 0.000 0.832 452 D CB 0.354 41.118 40.800 -0.059 0.000 0.992 452 D HN 0.225 nan 8.370 nan 0.000 0.502 453 V N -0.947 118.837 119.914 -0.217 0.000 3.137 453 V HA 0.238 4.358 4.120 0.001 0.000 0.236 453 V C -0.321 175.499 176.094 -0.457 0.000 1.260 453 V CA 0.394 62.444 62.300 -0.418 0.000 1.244 453 V CB 0.005 31.419 31.823 -0.683 0.000 1.016 453 V HN 0.011 nan 8.190 nan 0.000 0.477 454 Y N -0.087 120.192 120.300 -0.034 0.000 2.567 454 Y HA 0.648 5.199 4.550 0.001 0.000 0.333 454 Y C 0.529 176.408 175.900 -0.035 0.000 1.106 454 Y CA -1.184 56.895 58.100 -0.036 0.000 1.157 454 Y CB 1.397 39.803 38.460 -0.090 0.000 1.277 454 Y HN -0.069 nan 8.280 nan 0.000 0.490 455 S N 0.824 116.638 115.700 0.191 0.000 2.499 455 S HA 0.531 5.002 4.470 0.001 0.000 0.275 455 S C -0.888 173.799 174.600 0.146 0.000 1.257 455 S CA -0.341 57.925 58.200 0.109 0.000 1.050 455 S CB -0.478 62.770 63.200 0.079 0.000 0.937 455 S HN 0.658 nan 8.310 nan 0.000 0.490 456 C N 3.340 122.685 119.300 0.075 0.000 2.561 456 C HA 0.797 5.258 4.460 0.001 0.000 0.319 456 C C 0.344 175.424 174.990 0.150 0.000 1.198 456 C CA -0.803 58.283 59.018 0.114 0.000 1.665 456 C CB 1.460 29.145 27.740 -0.091 0.000 2.258 456 C HN 0.842 nan 8.230 nan 0.000 0.493 457 S N 1.614 117.457 115.700 0.239 0.000 2.537 457 S HA 0.555 5.025 4.470 0.001 0.000 0.301 457 S C -1.854 172.840 174.600 0.157 0.000 1.092 457 S CA -1.199 57.145 58.200 0.240 0.000 1.048 457 S CB 1.512 64.819 63.200 0.180 0.000 1.053 457 S HN 0.645 nan 8.310 nan 0.000 0.501 458 P HA -0.040 nan 4.420 nan 0.000 0.236 458 P C 0.536 177.796 177.300 -0.067 0.000 1.172 458 P CA 0.524 63.487 63.100 -0.228 0.000 0.759 458 P CB -0.365 31.114 31.700 -0.368 0.000 0.843 459 N N -0.089 118.587 118.700 -0.040 0.000 2.461 459 N HA -0.009 4.732 4.740 0.001 0.000 0.188 459 N C 1.304 176.673 175.510 -0.234 0.000 1.134 459 N CA 0.970 53.971 53.050 -0.083 0.000 0.878 459 N CB -0.685 37.774 38.487 -0.047 0.000 0.972 459 N HN 0.191 nan 8.380 nan 0.000 0.456 460 G N -0.527 107.997 108.800 -0.460 0.000 2.201 460 G HA2 -0.193 3.768 3.960 0.001 0.000 0.212 460 G HA3 -0.193 3.768 3.960 0.001 0.000 0.212 460 G C -0.127 174.328 174.900 -0.743 0.000 0.994 460 G CA 0.029 44.509 45.100 -1.034 0.000 0.644 460 G HN 0.215 nan 8.290 nan 0.000 0.508 461 M N 0.945 120.386 119.600 -0.265 0.000 2.277 461 M HA 0.660 5.140 4.480 0.001 0.000 0.350 461 M C 0.537 176.768 176.300 -0.115 0.000 1.180 461 M CA 0.078 55.240 55.300 -0.231 0.000 1.103 461 M CB 1.041 33.503 32.600 -0.231 0.000 1.577 461 M HN 0.181 nan 8.290 nan 0.000 0.459 462 M N 2.654 122.030 119.600 -0.375 0.000 2.383 462 M HA 0.487 4.967 4.480 0.001 0.000 0.325 462 M C -1.609 174.253 176.300 -0.730 0.000 1.092 462 M CA -0.536 54.582 55.300 -0.304 0.000 0.961 462 M CB 1.929 34.424 32.600 -0.176 0.000 1.672 462 M HN 0.462 nan 8.290 nan 0.000 0.438 463 Y N 0.140 120.322 120.300 -0.198 0.000 2.499 463 Y HA 0.450 5.001 4.550 0.001 0.000 0.347 463 Y C -0.725 175.089 175.900 -0.142 0.000 0.987 463 Y CA -0.863 57.094 58.100 -0.238 0.000 1.044 463 Y CB 1.354 39.736 38.460 -0.130 0.000 1.245 463 Y HN 0.451 nan 8.280 nan 0.000 0.461 464 Y N 2.208 122.578 120.300 0.116 0.000 2.610 464 Y HA 0.027 4.578 4.550 0.001 0.000 0.332 464 Y C 1.110 177.100 175.900 0.149 0.000 1.201 464 Y CA 0.046 58.253 58.100 0.180 0.000 1.465 464 Y CB 0.699 39.220 38.460 0.101 0.000 1.283 464 Y HN 0.523 nan 8.280 nan 0.000 0.563 465 K N 0.570 121.153 120.400 0.306 0.000 2.399 465 K HA 0.105 4.426 4.320 0.001 0.000 0.204 465 K C -0.646 176.018 176.600 0.106 0.000 1.023 465 K CA 0.188 56.568 56.287 0.155 0.000 1.127 465 K CB 0.315 32.876 32.500 0.103 0.000 0.856 465 K HN 0.625 nan 8.250 nan 0.000 0.514 466 D N 0.325 120.798 120.400 0.121 0.000 2.594 466 D HA 0.087 4.727 4.640 0.001 0.000 0.256 466 D C 1.061 177.372 176.300 0.018 0.000 1.393 466 D CA -0.469 53.564 54.000 0.055 0.000 0.797 466 D CB 0.279 41.105 40.800 0.044 0.000 1.110 466 D HN 0.033 nan 8.370 nan 0.000 0.495 467 R N 0.623 121.141 120.500 0.030 0.000 2.276 467 R HA 0.162 4.503 4.340 0.001 0.000 0.195 467 R C -0.565 175.731 176.300 -0.006 0.000 0.908 467 R CA 0.562 56.650 56.100 -0.019 0.000 1.083 467 R CB 0.079 30.339 30.300 -0.067 0.000 1.182 467 R HN 0.201 nan 8.270 nan 0.000 0.608 468 D N -0.451 119.959 120.400 0.016 0.000 10.770 468 D HA -0.099 4.542 4.640 0.001 0.000 0.340 468 D C -0.607 175.687 176.300 -0.009 0.000 3.132 468 D CA 1.097 55.095 54.000 -0.002 0.000 2.696 468 D CB -0.826 39.968 40.800 -0.010 0.000 1.209 468 D HN 0.238 nan 8.370 nan 0.000 0.941 469 G N -0.163 108.620 108.800 -0.028 0.000 2.519 469 G HA2 0.591 4.551 3.960 0.001 0.000 0.307 469 G HA3 0.591 4.551 3.960 0.001 0.000 0.307 469 G C 0.701 175.566 174.900 -0.059 0.000 1.266 469 G CA -0.420 44.654 45.100 -0.043 0.000 0.970 469 G HN 1.102 nan 8.290 nan 0.000 0.481 470 V N 1.679 121.548 119.914 -0.077 0.000 2.392 470 V HA -0.156 3.965 4.120 0.001 0.000 0.249 470 V C 2.628 178.679 176.094 -0.072 0.000 1.059 470 V CA 2.388 64.645 62.300 -0.072 0.000 1.051 470 V CB -0.308 31.451 31.823 -0.106 0.000 0.658 470 V HN 0.484 nan 8.190 nan 0.000 0.455 471 V N 0.437 120.273 119.914 -0.129 0.000 2.283 471 V HA -0.073 4.047 4.120 0.001 0.000 0.243 471 V C 0.198 176.212 176.094 -0.135 0.000 1.039 471 V CA 2.446 64.650 62.300 -0.160 0.000 1.016 471 V CB -1.801 29.896 31.823 -0.210 0.000 0.650 471 V HN 0.499 nan 8.190 nan 0.000 0.449 472 P HA -0.112 nan 4.420 nan 0.000 0.216 472 P C 1.797 179.073 177.300 -0.040 0.000 1.150 472 P CA 1.696 64.729 63.100 -0.112 0.000 0.837 472 P CB -0.177 31.448 31.700 -0.124 0.000 0.786 473 T N -0.194 114.351 114.554 -0.015 0.000 2.643 473 T HA -0.129 4.221 4.350 0.001 0.000 0.264 473 T C 1.578 176.334 174.700 0.093 0.000 1.045 473 T CA 1.249 63.368 62.100 0.031 0.000 1.155 473 T CB -0.700 68.182 68.868 0.023 0.000 0.863 473 T HN 0.160 nan 8.240 nan 0.000 0.420 474 E N 0.688 120.963 120.200 0.125 0.000 2.150 474 E HA 0.057 4.407 4.350 0.001 0.000 0.193 474 E C 2.154 178.975 176.600 0.368 0.000 0.985 474 E CA 0.424 56.987 56.400 0.272 0.000 0.814 474 E CB -0.367 29.553 29.700 0.366 0.000 0.752 474 E HN 0.466 nan 8.360 nan 0.000 0.466 475 I N 1.058 121.745 120.570 0.194 0.000 2.439 475 I HA -0.205 3.966 4.170 0.001 0.000 0.251 475 I C 1.720 177.966 176.117 0.217 0.000 1.139 475 I CA 1.000 62.409 61.300 0.183 0.000 1.438 475 I CB 0.058 38.016 38.000 -0.070 0.000 1.085 475 I HN 0.042 nan 8.210 nan 0.000 0.427 476 T N 0.822 115.471 114.554 0.159 0.000 2.746 476 T HA -0.179 4.171 4.350 0.001 0.000 0.267 476 T C 1.837 176.688 174.700 0.252 0.000 1.039 476 T CA 1.186 63.406 62.100 0.200 0.000 1.142 476 T CB -0.134 68.807 68.868 0.121 0.000 0.866 476 T HN 0.345 nan 8.240 nan 0.000 0.444 477 K N 0.673 121.207 120.400 0.223 0.000 2.057 477 K HA -0.047 4.273 4.320 0.001 0.000 0.207 477 K C 2.355 179.058 176.600 0.171 0.000 1.049 477 K CA 1.102 57.514 56.287 0.208 0.000 0.931 477 K CB -0.458 32.199 32.500 0.262 0.000 0.714 477 K HN 0.203 nan 8.250 nan 0.000 0.440 478 V N 1.126 121.164 119.914 0.207 0.000 2.379 478 V HA -0.204 3.917 4.120 0.001 0.000 0.245 478 V C 1.994 178.156 176.094 0.113 0.000 1.044 478 V CA 1.389 63.746 62.300 0.096 0.000 1.036 478 V CB -0.580 31.331 31.823 0.145 0.000 0.664 478 V HN 0.200 nan 8.190 nan 0.000 0.453 479 F N 2.333 122.325 119.950 0.071 0.000 2.091 479 F HA -0.229 4.298 4.527 0.001 0.000 0.299 479 F C 2.274 178.081 175.800 0.013 0.000 1.103 479 F CA 2.062 60.084 58.000 0.037 0.000 1.228 479 F CB -0.506 38.511 39.000 0.029 0.000 0.984 479 F HN 0.170 nan 8.300 nan 0.000 0.477 480 N N 0.483 119.068 118.700 -0.192 0.000 2.166 480 N HA -0.176 4.564 4.740 0.001 0.000 0.186 480 N C 1.845 177.179 175.510 -0.294 0.000 1.019 480 N CA 1.499 54.364 53.050 -0.307 0.000 0.856 480 N CB -0.510 37.944 38.487 -0.055 0.000 0.993 480 N HN 0.559 nan 8.380 nan 0.000 0.426 481 Q N 0.252 119.948 119.800 -0.173 0.000 2.084 481 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 481 Q C 2.158 178.072 176.000 -0.143 0.000 0.978 481 Q CA 0.884 56.605 55.803 -0.137 0.000 0.844 481 Q CB -0.045 28.657 28.738 -0.060 0.000 0.898 481 Q HN 0.249 nan 8.270 nan 0.000 0.426 482 R N 1.840 122.238 120.500 -0.171 0.000 2.083 482 R HA -0.194 4.146 4.340 0.001 0.000 0.237 482 R C 2.102 178.253 176.300 -0.249 0.000 1.137 482 R CA 2.052 58.063 56.100 -0.149 0.000 0.951 482 R CB -0.131 30.100 30.300 -0.116 0.000 0.851 482 R HN 0.289 nan 8.270 nan 0.000 0.434 483 K N -0.028 120.100 120.400 -0.453 0.000 2.148 483 K HA -0.123 4.198 4.320 0.001 0.000 0.204 483 K C 1.942 178.316 176.600 -0.376 0.000 1.050 483 K CA 1.464 57.505 56.287 -0.411 0.000 0.942 483 K CB -0.274 31.907 32.500 -0.533 0.000 0.724 483 K HN 0.213 nan 8.250 nan 0.000 0.446 484 E N 0.815 120.746 120.200 -0.448 0.000 2.031 484 E HA -0.227 4.123 4.350 0.001 0.000 0.193 484 E C 1.980 178.038 176.600 -0.905 0.000 0.994 484 E CA 1.213 57.220 56.400 -0.654 0.000 0.800 484 E CB -0.049 29.268 29.700 -0.637 0.000 0.752 484 E HN 0.500 nan 8.360 nan 0.000 0.447 485 H N 0.264 119.032 119.070 -0.503 0.000 2.387 485 H HA -0.067 4.489 4.556 0.001 0.000 0.299 485 H C 2.155 177.330 175.328 -0.256 0.000 1.090 485 H CA 1.207 57.050 56.048 -0.341 0.000 1.332 485 H CB -0.041 29.630 29.762 -0.152 0.000 1.386 485 H HN 0.150 nan 8.280 nan 0.000 0.516 486 K N 0.620 120.936 120.400 -0.140 0.000 2.097 486 K HA -0.099 4.221 4.320 0.001 0.000 0.206 486 K C 2.361 178.876 176.600 -0.142 0.000 1.049 486 K CA 1.045 57.263 56.287 -0.115 0.000 0.933 486 K CB -0.154 32.280 32.500 -0.110 0.000 0.717 486 K HN 0.266 nan 8.250 nan 0.000 0.442 487 G N 0.086 108.737 108.800 -0.248 0.000 2.418 487 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 487 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 487 G C 1.126 175.940 174.900 -0.142 0.000 1.158 487 G CA 0.686 45.650 45.100 -0.227 0.000 0.771 487 G HN 0.240 nan 8.290 nan 0.000 0.545 488 Y N -0.022 120.151 120.300 -0.212 0.000 2.181 488 Y HA 0.028 4.578 4.550 0.001 0.000 0.288 488 Y C 2.790 178.594 175.900 -0.160 0.000 1.146 488 Y CA 0.614 58.564 58.100 -0.250 0.000 1.164 488 Y CB -0.920 37.417 38.460 -0.205 0.000 0.982 488 Y HN 0.170 nan 8.280 nan 0.000 0.515 489 M N -0.519 119.108 119.600 0.045 0.000 2.059 489 M HA -0.221 4.260 4.480 0.001 0.000 0.259 489 M C 2.043 178.326 176.300 -0.028 0.000 1.072 489 M CA 1.840 57.141 55.300 0.001 0.000 1.117 489 M CB -0.476 32.117 32.600 -0.011 0.000 1.320 489 M HN 0.268 nan 8.290 nan 0.000 0.408 490 L N 0.089 121.288 121.223 -0.041 0.000 2.042 490 L HA -0.205 4.135 4.340 0.001 0.000 0.210 490 L C 2.765 179.600 176.870 -0.060 0.000 1.076 490 L CA 1.350 56.162 54.840 -0.048 0.000 0.749 490 L CB -1.079 40.948 42.059 -0.053 0.000 0.893 490 L HN 0.448 nan 8.230 nan 0.000 0.432 491 A N 0.051 122.830 122.820 -0.069 0.000 1.902 491 A HA -0.183 4.138 4.320 0.001 0.000 0.217 491 A C 2.529 180.038 177.584 -0.125 0.000 1.181 491 A CA 1.766 53.746 52.037 -0.095 0.000 0.623 491 A CB -0.710 18.229 19.000 -0.102 0.000 0.818 491 A HN 0.415 nan 8.150 nan 0.000 0.443 492 A N -0.924 121.841 122.820 -0.091 0.000 1.972 492 A HA -0.214 4.106 4.320 0.001 0.000 0.219 492 A C 2.181 179.712 177.584 -0.087 0.000 1.169 492 A CA 1.810 53.798 52.037 -0.081 0.000 0.635 492 A CB -0.511 18.457 19.000 -0.054 0.000 0.810 492 A HN 0.698 nan 8.150 nan 0.000 0.446 493 Q N -0.496 119.265 119.800 -0.065 0.000 2.049 493 Q HA -0.155 4.186 4.340 0.001 0.000 0.198 493 Q C 2.326 178.305 176.000 -0.035 0.000 0.971 493 Q CA 1.299 57.080 55.803 -0.036 0.000 0.833 493 Q CB -0.113 28.617 28.738 -0.013 0.000 0.896 493 Q HN 0.672 nan 8.270 nan 0.000 0.434 494 R N 0.179 120.641 120.500 -0.062 0.000 2.073 494 R HA -0.105 4.236 4.340 0.001 0.000 0.234 494 R C 2.066 178.311 176.300 -0.093 0.000 1.134 494 R CA 1.435 57.496 56.100 -0.065 0.000 0.952 494 R CB -0.322 29.933 30.300 -0.075 0.000 0.850 494 R HN 0.332 nan 8.270 nan 0.000 0.433 495 N N 0.216 118.790 118.700 -0.211 0.000 2.149 495 N HA -0.119 4.621 4.740 0.001 0.000 0.188 495 N C 1.799 177.262 175.510 -0.078 0.000 1.019 495 N CA 1.508 54.327 53.050 -0.385 0.000 0.857 495 N CB -0.638 37.350 38.487 -0.831 0.000 0.997 495 N HN 0.358 nan 8.380 nan 0.000 0.426 496 G N 1.274 110.049 108.800 -0.042 0.000 2.422 496 G HA2 -0.212 3.748 3.960 0.001 0.000 0.218 496 G HA3 -0.212 3.748 3.960 0.001 0.000 0.218 496 G C 1.394 176.321 174.900 0.046 0.000 1.146 496 G CA 0.561 45.668 45.100 0.012 0.000 0.769 496 G HN 0.267 nan 8.290 nan 0.000 0.547 497 E N 0.256 120.485 120.200 0.048 0.000 2.216 497 E HA 0.032 4.383 4.350 0.001 0.000 0.192 497 E C 2.537 179.189 176.600 0.086 0.000 0.988 497 E CA 0.136 56.582 56.400 0.076 0.000 0.834 497 E CB -0.031 29.724 29.700 0.092 0.000 0.772 497 E HN 0.523 nan 8.360 nan 0.000 0.479 498 I N 0.949 121.580 120.570 0.101 0.000 2.226 498 I HA -0.251 3.919 4.170 0.001 0.000 0.245 498 I C 2.349 178.558 176.117 0.154 0.000 1.100 498 I CA 0.967 62.357 61.300 0.150 0.000 1.374 498 I CB -0.223 37.921 38.000 0.240 0.000 1.057 498 I HN 0.025 nan 8.210 nan 0.000 0.413 499 I N 0.543 121.219 120.570 0.178 0.000 2.286 499 I HA -0.289 3.881 4.170 0.001 0.000 0.248 499 I C 2.431 178.573 176.117 0.041 0.000 1.115 499 I CA 1.449 62.831 61.300 0.136 0.000 1.392 499 I CB -0.419 37.681 38.000 0.167 0.000 1.065 499 I HN 0.161 nan 8.210 nan 0.000 0.418 500 K N 0.443 120.854 120.400 0.019 0.000 2.097 500 K HA -0.150 4.171 4.320 0.001 0.000 0.205 500 K C 2.068 178.564 176.600 -0.173 0.000 1.050 500 K CA 1.041 57.289 56.287 -0.066 0.000 0.938 500 K CB -0.061 32.426 32.500 -0.022 0.000 0.718 500 K HN 0.260 nan 8.250 nan 0.000 0.442 501 E N 0.476 120.660 120.200 -0.026 0.000 2.106 501 E HA -0.132 4.219 4.350 0.001 0.000 0.192 501 E C 1.972 178.592 176.600 0.033 0.000 0.984 501 E CA 0.965 57.403 56.400 0.063 0.000 0.806 501 E CB -0.034 29.747 29.700 0.135 0.000 0.750 501 E HN 0.289 nan 8.360 nan 0.000 0.458 502 A N 0.936 123.767 122.820 0.017 0.000 2.015 502 A HA -0.061 4.260 4.320 0.001 0.000 0.219 502 A C 2.178 179.755 177.584 -0.013 0.000 1.163 502 A CA 0.560 52.614 52.037 0.027 0.000 0.646 502 A CB -0.489 18.536 19.000 0.042 0.000 0.806 502 A HN 0.163 nan 8.150 nan 0.000 0.448 503 L N -0.526 120.637 121.223 -0.100 0.000 2.622 503 L HA -0.089 4.251 4.340 0.001 0.000 0.233 503 L C 1.801 178.591 176.870 -0.134 0.000 1.156 503 L CA 0.284 55.050 54.840 -0.122 0.000 0.866 503 L CB -0.380 41.588 42.059 -0.150 0.000 0.980 503 L HN 0.449 nan 8.230 nan 0.000 0.448 504 H N -0.735 118.358 119.070 0.038 0.000 2.535 504 H HA 0.107 4.663 4.556 0.001 0.000 0.273 504 H C 0.269 175.614 175.328 0.029 0.000 0.983 504 H CA 0.539 56.608 56.048 0.034 0.000 1.238 504 H CB 0.120 29.904 29.762 0.038 0.000 1.412 504 H HN 0.343 nan 8.280 nan 0.000 0.562 505 N N 1.295 120.065 118.700 0.118 0.000 2.733 505 N HA 0.130 4.871 4.740 0.001 0.000 0.271 505 N C -2.755 172.783 175.510 0.046 0.000 1.720 505 N CA -0.891 52.205 53.050 0.077 0.000 0.803 505 N CB 1.894 40.425 38.487 0.073 0.000 1.208 505 N HN 0.076 nan 8.380 nan 0.000 0.498 506 P HA 0.155 nan 4.420 nan 0.000 0.275 506 P C -0.725 176.588 177.300 0.021 0.000 1.227 506 P CA -0.206 62.908 63.100 0.023 0.000 0.781 506 P CB 0.912 32.623 31.700 0.018 0.000 0.906 507 N N 1.141 119.850 118.700 0.015 0.000 2.530 507 N HA 0.227 4.968 4.740 0.001 0.000 0.277 507 N C -0.154 175.362 175.510 0.010 0.000 1.168 507 N CA -0.389 52.669 53.050 0.012 0.000 0.979 507 N CB 0.190 38.682 38.487 0.009 0.000 1.141 507 N HN 0.316 nan 8.380 nan 0.000 0.459 508 L N 1.710 122.938 121.223 0.009 0.000 2.387 508 L HA 0.284 4.625 4.340 0.001 0.000 0.267 508 L C 0.001 176.874 176.870 0.005 0.000 1.197 508 L CA -0.240 54.604 54.840 0.007 0.000 1.070 508 L CB -1.161 40.903 42.059 0.008 0.000 1.349 508 L HN 0.637 nan 8.230 nan 0.000 0.422 509 S N 0.842 116.545 115.700 0.004 0.000 2.656 509 S HA 0.744 5.214 4.470 0.001 0.000 0.273 509 S C -0.833 173.768 174.600 0.001 0.000 1.168 509 S CA -0.878 57.324 58.200 0.002 0.000 0.817 509 S CB 2.361 65.561 63.200 0.001 0.000 1.146 509 S HN -0.041 nan 8.310 nan 0.000 0.475 510 V N 2.478 122.392 119.914 0.000 0.000 2.407 510 V HA 0.665 4.786 4.120 0.001 0.000 0.291 510 V C -1.155 174.939 176.094 -0.001 0.000 1.018 510 V CA -0.337 61.962 62.300 -0.000 0.000 0.842 510 V CB 0.727 32.550 31.823 -0.001 0.000 0.996 510 V HN 1.105 nan 8.190 nan 0.000 0.426 511 D N 3.316 123.716 120.400 -0.000 0.000 2.895 511 D HA 0.600 5.241 4.640 0.001 0.000 0.320 511 D C -0.902 175.399 176.300 0.002 0.000 1.249 511 D CA -0.772 53.227 54.000 -0.001 0.000 0.997 511 D CB 1.198 41.997 40.800 -0.003 0.000 1.430 511 D HN 0.269 nan 8.370 nan 0.000 0.558 512 E N -0.370 119.831 120.200 0.002 0.000 2.288 512 E HA 0.399 4.749 4.350 0.001 0.000 0.268 512 E C -2.433 174.173 176.600 0.011 0.000 0.885 512 E CA -1.886 54.519 56.400 0.008 0.000 0.767 512 E CB 1.982 31.686 29.700 0.006 0.000 1.220 512 E HN 0.324 nan 8.360 nan 0.000 0.427 513 P HA 0.040 nan 4.420 nan 0.000 0.266 513 P C -0.095 177.218 177.300 0.022 0.000 1.195 513 P CA -0.419 62.708 63.100 0.044 0.000 0.768 513 P CB 0.504 32.256 31.700 0.087 0.000 0.838 514 L N 2.912 124.130 121.223 -0.010 0.000 2.483 514 L HA 0.060 4.400 4.340 0.001 0.000 0.276 514 L C 0.878 177.716 176.870 -0.052 0.000 1.213 514 L CA 0.794 55.598 54.840 -0.061 0.000 0.843 514 L CB -0.703 41.268 42.059 -0.147 0.000 1.107 514 L HN 0.372 nan 8.230 nan 0.000 0.487 515 D N 1.732 122.095 120.400 -0.062 0.000 2.428 515 D HA 0.477 5.117 4.640 0.001 0.000 0.221 515 D C -0.853 175.382 176.300 -0.109 0.000 1.123 515 D CA -0.028 53.940 54.000 -0.053 0.000 0.869 515 D CB 0.476 41.262 40.800 -0.023 0.000 1.032 515 D HN 0.277 nan 8.370 nan 0.000 0.506 516 V N 0.619 120.422 119.914 -0.185 0.000 3.159 516 V HA 0.567 4.688 4.120 0.001 0.000 0.308 516 V C -0.638 175.309 176.094 -0.244 0.000 1.190 516 V CA -1.113 61.049 62.300 -0.231 0.000 1.037 516 V CB 2.071 33.697 31.823 -0.328 0.000 1.060 516 V HN 0.223 nan 8.190 nan 0.000 0.437 517 D N 0.471 120.818 120.400 -0.088 0.000 2.428 517 D HA 0.359 5.000 4.640 0.001 0.000 0.221 517 D C 0.288 176.635 176.300 0.079 0.000 1.123 517 D CA -0.174 53.848 54.000 0.038 0.000 0.869 517 D CB 0.794 41.696 40.800 0.170 0.000 1.032 517 D HN 0.599 nan 8.370 nan 0.000 0.506 518 Y N 2.141 122.523 120.300 0.136 0.000 2.639 518 Y HA -0.031 4.519 4.550 0.001 0.000 0.297 518 Y C 2.102 177.945 175.900 -0.094 0.000 1.151 518 Y CA 0.452 58.582 58.100 0.050 0.000 1.335 518 Y CB 0.111 38.587 38.460 0.026 0.000 0.994 518 Y HN 0.266 nan 8.280 nan 0.000 0.548 519 R N -0.638 119.839 120.500 -0.038 0.000 2.307 519 R HA 0.032 4.372 4.340 0.001 0.000 0.199 519 R C -0.774 175.152 176.300 -0.624 0.000 1.000 519 R CA 0.454 56.312 56.100 -0.404 0.000 1.023 519 R CB -0.031 29.752 30.300 -0.862 0.000 0.908 519 R HN 0.130 nan 8.270 nan 0.000 0.473 520 F N 0.365 120.300 119.950 -0.026 0.000 2.540 520 F HA 0.221 4.749 4.527 0.001 0.000 0.317 520 F C 0.131 175.901 175.800 -0.049 0.000 1.104 520 F CA -1.497 56.500 58.000 -0.005 0.000 0.913 520 F CB 1.207 40.211 39.000 0.006 0.000 1.170 520 F HN -0.228 nan 8.300 nan 0.000 0.450 521 D N 2.416 122.879 120.400 0.105 0.000 2.571 521 D HA -0.061 4.580 4.640 0.001 0.000 0.231 521 D C -0.038 176.335 176.300 0.121 0.000 1.133 521 D CA 0.735 54.737 54.000 0.003 0.000 0.862 521 D CB 0.484 41.304 40.800 0.032 0.000 1.179 521 D HN 0.075 nan 8.370 nan 0.000 0.474 522 F N 1.176 121.166 119.950 0.066 0.000 2.563 522 F HA -0.039 4.489 4.527 0.001 0.000 0.363 522 F C 1.623 177.440 175.800 0.028 0.000 1.123 522 F CA -0.831 57.191 58.000 0.037 0.000 1.307 522 F CB -0.057 38.962 39.000 0.032 0.000 1.115 522 F HN 0.065 nan 8.300 nan 0.000 0.592 523 S N 1.282 117.111 115.700 0.215 0.000 2.614 523 S HA 0.136 4.607 4.470 0.001 0.000 0.265 523 S C 0.804 175.451 174.600 0.079 0.000 1.303 523 S CA -0.774 57.488 58.200 0.105 0.000 1.000 523 S CB 0.920 64.150 63.200 0.049 0.000 0.935 523 S HN 0.528 nan 8.310 nan 0.000 0.551 524 D N 1.264 121.695 120.400 0.053 0.000 2.133 524 D HA -0.177 4.463 4.640 0.001 0.000 0.195 524 D C 1.950 178.259 176.300 0.014 0.000 0.997 524 D CA 2.079 56.102 54.000 0.038 0.000 0.840 524 D CB -0.397 40.420 40.800 0.028 0.000 0.947 524 D HN 0.962 nan 8.370 nan 0.000 0.452 525 E N 0.353 120.552 120.200 -0.001 0.000 2.152 525 E HA -0.087 4.264 4.350 0.001 0.000 0.192 525 E C 2.104 178.672 176.600 -0.053 0.000 0.983 525 E CA 0.574 56.960 56.400 -0.023 0.000 0.818 525 E CB -0.436 29.249 29.700 -0.024 0.000 0.758 525 E HN 0.242 nan 8.360 nan 0.000 0.467 526 I N 1.104 121.628 120.570 -0.077 0.000 2.315 526 I HA -0.205 3.965 4.170 0.001 0.000 0.248 526 I C 2.382 178.392 176.117 -0.179 0.000 1.117 526 I CA 1.167 62.359 61.300 -0.179 0.000 1.404 526 I CB -0.112 37.717 38.000 -0.284 0.000 1.071 526 I HN 0.079 nan 8.210 nan 0.000 0.419 527 K N 0.257 120.614 120.400 -0.072 0.000 2.097 527 K HA -0.151 4.169 4.320 0.001 0.000 0.205 527 K C 2.021 178.611 176.600 -0.016 0.000 1.050 527 K CA 0.987 57.267 56.287 -0.013 0.000 0.938 527 K CB -0.052 32.487 32.500 0.065 0.000 0.718 527 K HN 0.263 nan 8.250 nan 0.000 0.442 528 E N 1.184 121.372 120.200 -0.019 0.000 2.047 528 E HA -0.148 4.202 4.350 0.001 0.000 0.191 528 E C 1.878 178.461 176.600 -0.028 0.000 0.987 528 E CA 1.165 57.556 56.400 -0.015 0.000 0.799 528 E CB -0.020 29.674 29.700 -0.011 0.000 0.752 528 E HN 0.233 nan 8.360 nan 0.000 0.449 529 K N 0.475 120.845 120.400 -0.051 0.000 2.160 529 K HA -0.112 4.208 4.320 0.001 0.000 0.206 529 K C 2.246 178.811 176.600 -0.059 0.000 1.047 529 K CA 0.857 57.109 56.287 -0.058 0.000 0.930 529 K CB -0.186 32.265 32.500 -0.081 0.000 0.720 529 K HN 0.100 nan 8.250 nan 0.000 0.450 530 I N 1.062 121.587 120.570 -0.074 0.000 2.315 530 I HA -0.270 3.900 4.170 0.001 0.000 0.248 530 I C 1.821 177.929 176.117 -0.015 0.000 1.117 530 I CA 1.266 62.533 61.300 -0.056 0.000 1.404 530 I CB -0.036 37.920 38.000 -0.073 0.000 1.071 530 I HN 0.076 nan 8.210 nan 0.000 0.419 531 K N 0.503 120.900 120.400 -0.005 0.000 2.442 531 K HA -0.160 4.160 4.320 0.001 0.000 0.198 531 K C 1.332 177.936 176.600 0.006 0.000 1.044 531 K CA 0.892 57.185 56.287 0.010 0.000 0.948 531 K CB 0.063 32.572 32.500 0.015 0.000 0.762 531 K HN 0.103 nan 8.250 nan 0.000 0.472 532 K N -0.045 120.353 120.400 -0.003 0.000 2.358 532 K HA 0.207 4.528 4.320 0.001 0.000 0.200 532 K C -0.106 176.492 176.600 -0.003 0.000 1.030 532 K CA 0.013 56.299 56.287 -0.003 0.000 1.097 532 K CB 0.546 33.041 32.500 -0.008 0.000 0.862 532 K HN -0.036 nan 8.250 nan 0.000 0.534 533 L N 1.406 122.627 121.223 -0.003 0.000 2.399 533 L HA 0.250 4.590 4.340 0.001 0.000 0.266 533 L C 0.549 177.422 176.870 0.005 0.000 1.114 533 L CA -0.699 54.140 54.840 -0.001 0.000 0.804 533 L CB 1.289 43.346 42.059 -0.004 0.000 1.146 533 L HN 0.122 nan 8.230 nan 0.000 0.451 534 S N 1.119 116.822 115.700 0.005 0.000 2.584 534 S HA 0.215 4.685 4.470 0.001 0.000 0.270 534 S C 1.067 175.672 174.600 0.008 0.000 1.346 534 S CA -0.157 58.047 58.200 0.007 0.000 1.018 534 S CB 1.424 64.626 63.200 0.004 0.000 0.899 534 S HN 0.713 nan 8.310 nan 0.000 0.542 535 A N 1.878 124.702 122.820 0.007 0.000 1.883 535 A HA -0.151 4.169 4.320 0.001 0.000 0.217 535 A C 2.157 179.744 177.584 0.005 0.000 1.186 535 A CA 1.902 53.943 52.037 0.006 0.000 0.624 535 A CB -1.022 17.981 19.000 0.004 0.000 0.822 535 A HN 0.975 nan 8.150 nan 0.000 0.444 536 K N -0.310 120.091 120.400 0.002 0.000 2.074 536 K HA -0.166 4.154 4.320 0.001 0.000 0.209 536 K C 2.117 178.721 176.600 0.007 0.000 1.048 536 K CA 1.879 58.165 56.287 -0.001 0.000 0.926 536 K CB -0.222 32.275 32.500 -0.005 0.000 0.713 536 K HN 0.430 nan 8.250 nan 0.000 0.444 537 S N 0.895 116.603 115.700 0.013 0.000 2.414 537 S HA 0.020 4.491 4.470 0.001 0.000 0.227 537 S C 1.820 176.446 174.600 0.043 0.000 1.022 537 S CA 0.635 58.851 58.200 0.026 0.000 0.958 537 S CB -0.054 63.158 63.200 0.019 0.000 0.797 537 S HN 0.253 nan 8.310 nan 0.000 0.493 538 L N 1.407 122.650 121.223 0.035 0.000 2.056 538 L HA -0.117 4.224 4.340 0.001 0.000 0.207 538 L C 1.968 178.870 176.870 0.054 0.000 1.078 538 L CA 1.210 56.078 54.840 0.047 0.000 0.749 538 L CB -0.665 41.411 42.059 0.028 0.000 0.901 538 L HN 0.329 nan 8.230 nan 0.000 0.433 539 N N -0.380 118.341 118.700 0.035 0.000 2.223 539 N HA -0.186 4.554 4.740 0.001 0.000 0.185 539 N C 1.698 177.244 175.510 0.060 0.000 1.016 539 N CA 0.896 53.967 53.050 0.035 0.000 0.863 539 N CB 0.063 38.555 38.487 0.008 0.000 0.983 539 N HN 0.326 nan 8.380 nan 0.000 0.429 540 E N 0.308 120.541 120.200 0.055 0.000 2.072 540 E HA -0.109 4.242 4.350 0.001 0.000 0.191 540 E C 1.816 178.503 176.600 0.145 0.000 0.985 540 E CA 0.958 57.406 56.400 0.080 0.000 0.801 540 E CB 0.053 29.785 29.700 0.054 0.000 0.750 540 E HN 0.379 nan 8.360 nan 0.000 0.452 541 M N 0.078 119.762 119.600 0.141 0.000 2.175 541 M HA -0.133 4.347 4.480 0.001 0.000 0.264 541 M C 2.296 178.635 176.300 0.065 0.000 1.063 541 M CA 0.786 56.204 55.300 0.196 0.000 1.119 541 M CB -0.106 32.652 32.600 0.263 0.000 1.377 541 M HN 0.154 nan 8.290 nan 0.000 0.415 542 L N 0.067 121.334 121.223 0.073 0.000 2.017 542 L HA -0.164 4.177 4.340 0.001 0.000 0.208 542 L C 2.196 179.044 176.870 -0.036 0.000 1.073 542 L CA 1.803 56.654 54.840 0.018 0.000 0.745 542 L CB -0.831 41.252 42.059 0.039 0.000 0.894 542 L HN 0.212 nan 8.230 nan 0.000 0.432 543 F N 0.334 120.220 119.950 -0.107 0.000 2.126 543 F HA -0.229 4.298 4.527 0.001 0.000 0.299 543 F C 2.516 178.209 175.800 -0.179 0.000 1.096 543 F CA 1.722 59.651 58.000 -0.118 0.000 1.255 543 F CB -0.198 38.755 39.000 -0.078 0.000 0.997 543 F HN 0.011 nan 8.300 nan 0.000 0.479 544 R N 0.072 120.466 120.500 -0.176 0.000 2.092 544 R HA -0.073 4.268 4.340 0.001 0.000 0.231 544 R C 2.509 178.349 176.300 -0.765 0.000 1.119 544 R CA 1.069 56.928 56.100 -0.402 0.000 0.970 544 R CB -0.769 29.399 30.300 -0.220 0.000 0.864 544 R HN 0.403 nan 8.270 nan 0.000 0.440 545 A N 1.246 123.503 122.820 -0.938 0.000 1.858 545 A HA -0.234 4.086 4.320 0.001 0.000 0.216 545 A C 2.047 179.401 177.584 -0.384 0.000 1.190 545 A CA 1.324 52.915 52.037 -0.744 0.000 0.617 545 A CB -0.477 18.287 19.000 -0.394 0.000 0.827 545 A HN 0.322 nan 8.150 nan 0.000 0.443 546 Q N -1.114 118.484 119.800 -0.337 0.000 2.135 546 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 546 Q C 2.298 178.108 176.000 -0.317 0.000 0.981 546 Q CA 1.135 56.773 55.803 -0.275 0.000 0.856 546 Q CB -0.154 28.433 28.738 -0.252 0.000 0.902 546 Q HN 0.391 nan 8.270 nan 0.000 0.425 547 R N -0.141 120.089 120.500 -0.451 0.000 2.092 547 R HA -0.033 4.308 4.340 0.001 0.000 0.231 547 R C 2.172 178.330 176.300 -0.237 0.000 1.119 547 R CA 1.275 57.139 56.100 -0.393 0.000 0.970 547 R CB -0.839 29.157 30.300 -0.507 0.000 0.864 547 R HN 0.281 nan 8.270 nan 0.000 0.440 548 T N 0.838 115.259 114.554 -0.221 0.000 2.777 548 T HA -0.136 4.215 4.350 0.001 0.000 0.266 548 T C 1.706 176.353 174.700 -0.089 0.000 1.040 548 T CA 1.341 63.372 62.100 -0.115 0.000 1.141 548 T CB -0.043 68.790 68.868 -0.059 0.000 0.868 548 T HN 0.404 nan 8.240 nan 0.000 0.444 549 E N 0.557 120.689 120.200 -0.113 0.000 2.077 549 E HA -0.124 4.226 4.350 0.001 0.000 0.193 549 E C 2.209 178.768 176.600 -0.068 0.000 0.989 549 E CA 0.953 57.306 56.400 -0.078 0.000 0.800 549 E CB -0.064 29.585 29.700 -0.085 0.000 0.746 549 E HN 0.252 nan 8.360 nan 0.000 0.452 550 V N 1.363 121.220 119.914 -0.096 0.000 2.295 550 V HA -0.286 3.834 4.120 0.001 0.000 0.246 550 V C 2.500 178.556 176.094 -0.064 0.000 1.049 550 V CA 1.828 64.083 62.300 -0.075 0.000 1.024 550 V CB -0.888 30.875 31.823 -0.101 0.000 0.648 550 V HN 0.444 nan 8.190 nan 0.000 0.447 551 A N 0.638 123.410 122.820 -0.080 0.000 1.873 551 A HA -0.174 4.147 4.320 0.001 0.000 0.218 551 A C 2.455 180.014 177.584 -0.042 0.000 1.193 551 A CA 2.245 54.241 52.037 -0.067 0.000 0.629 551 A CB -1.422 17.542 19.000 -0.060 0.000 0.826 551 A HN 0.542 nan 8.150 nan 0.000 0.447 552 G N -0.814 107.983 108.800 -0.005 0.000 2.440 552 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 552 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 552 G C 1.520 176.415 174.900 -0.009 0.000 1.154 552 G CA 1.751 46.874 45.100 0.039 0.000 0.767 552 G HN 0.478 nan 8.290 nan 0.000 0.552 553 M N 1.168 120.757 119.600 -0.017 0.000 2.073 553 M HA -0.074 4.407 4.480 0.001 0.000 0.258 553 M C 2.540 178.835 176.300 -0.008 0.000 1.070 553 M CA 2.427 57.717 55.300 -0.016 0.000 1.103 553 M CB -1.122 31.478 32.600 -0.000 0.000 1.321 553 M HN 0.140 nan 8.290 nan 0.000 0.405 554 T N 0.775 115.337 114.554 0.014 0.000 2.684 554 T HA -0.128 4.222 4.350 0.001 0.000 0.267 554 T C 1.804 176.469 174.700 -0.059 0.000 1.036 554 T CA 1.941 64.075 62.100 0.057 0.000 1.148 554 T CB -0.844 68.056 68.868 0.054 0.000 0.863 554 T HN 0.590 nan 8.240 nan 0.000 0.436 555 A N 1.656 124.379 122.820 -0.162 0.000 1.902 555 A HA -0.193 4.128 4.320 0.001 0.000 0.217 555 A C 2.276 179.711 177.584 -0.249 0.000 1.181 555 A CA 2.089 53.914 52.037 -0.355 0.000 0.623 555 A CB -0.600 17.939 19.000 -0.768 0.000 0.818 555 A HN 0.674 nan 8.150 nan 0.000 0.443 556 Q N -0.652 119.074 119.800 -0.124 0.000 2.165 556 Q HA 0.166 4.507 4.340 0.001 0.000 0.197 556 Q C 1.838 177.792 176.000 -0.077 0.000 0.952 556 Q CA 1.428 57.191 55.803 -0.067 0.000 0.848 556 Q CB -0.588 28.128 28.738 -0.036 0.000 0.931 556 Q HN 0.516 nan 8.270 nan 0.000 0.470 557 I N 0.518 121.032 120.570 -0.093 0.000 2.493 557 I HA -0.168 4.003 4.170 0.001 0.000 0.254 557 I C 1.164 177.233 176.117 -0.081 0.000 1.160 557 I CA 0.924 62.126 61.300 -0.163 0.000 1.445 557 I CB 0.007 37.827 38.000 -0.301 0.000 1.086 557 I HN 0.333 nan 8.210 nan 0.000 0.433 558 N N 0.474 119.167 118.700 -0.013 0.000 2.415 558 N HA -0.044 4.696 4.740 0.001 0.000 0.176 558 N C 1.770 177.275 175.510 -0.008 0.000 1.042 558 N CA 0.540 53.613 53.050 0.038 0.000 0.902 558 N CB 0.035 38.456 38.487 -0.111 0.000 0.986 558 N HN 0.381 nan 8.380 nan 0.000 0.447 559 R N 1.376 121.846 120.500 -0.050 0.000 2.073 559 R HA -0.013 4.328 4.340 0.001 0.000 0.229 559 R C 2.203 178.536 176.300 0.056 0.000 1.120 559 R CA 0.922 57.007 56.100 -0.025 0.000 0.967 559 R CB -0.083 30.184 30.300 -0.055 0.000 0.862 559 R HN 0.149 nan 8.270 nan 0.000 0.436 560 K N 1.012 121.435 120.400 0.038 0.000 2.044 560 K HA -0.225 4.096 4.320 0.001 0.000 0.210 560 K C 2.040 178.700 176.600 0.100 0.000 1.049 560 K CA 1.606 57.931 56.287 0.063 0.000 0.927 560 K CB -0.220 32.277 32.500 -0.004 0.000 0.713 560 K HN 0.062 nan 8.250 nan 0.000 0.443 561 L N 1.395 122.689 121.223 0.119 0.000 2.042 561 L HA -0.162 4.178 4.340 0.001 0.000 0.210 561 L C 2.232 179.232 176.870 0.216 0.000 1.076 561 L CA 1.406 56.370 54.840 0.207 0.000 0.749 561 L CB -0.640 41.629 42.059 0.350 0.000 0.893 561 L HN 0.319 nan 8.230 nan 0.000 0.432 562 L N -0.053 121.295 121.223 0.209 0.000 2.017 562 L HA -0.182 4.158 4.340 0.001 0.000 0.208 562 L C 2.428 179.612 176.870 0.522 0.000 1.073 562 L CA 2.299 57.317 54.840 0.298 0.000 0.745 562 L CB -0.653 41.481 42.059 0.125 0.000 0.894 562 L HN 0.506 nan 8.230 nan 0.000 0.432 563 I N -3.255 117.558 120.570 0.405 0.000 2.315 563 I HA -0.223 3.947 4.170 0.001 0.000 0.248 563 I C 1.997 178.195 176.117 0.135 0.000 1.117 563 I CA 1.908 63.401 61.300 0.322 0.000 1.404 563 I CB -0.950 37.207 38.000 0.262 0.000 1.071 563 I HN 0.328 nan 8.210 nan 0.000 0.419 564 N N 1.303 120.086 118.700 0.139 0.000 2.166 564 N HA -0.136 4.605 4.740 0.001 0.000 0.186 564 N C 1.883 177.452 175.510 0.099 0.000 1.019 564 N CA 1.456 54.566 53.050 0.099 0.000 0.856 564 N CB -0.080 38.452 38.487 0.075 0.000 0.993 564 N HN 0.347 nan 8.380 nan 0.000 0.426 565 S N 0.832 116.617 115.700 0.140 0.000 2.447 565 S HA -0.059 4.411 4.470 0.001 0.000 0.233 565 S C 1.748 176.337 174.600 -0.019 0.000 1.006 565 S CA 0.420 58.691 58.200 0.119 0.000 0.957 565 S CB -0.122 63.201 63.200 0.205 0.000 0.773 565 S HN 0.235 nan 8.310 nan 0.000 0.507 566 L N 2.188 123.319 121.223 -0.153 0.000 2.027 566 L HA 0.089 4.430 4.340 0.001 0.000 0.206 566 L C 2.358 179.034 176.870 -0.323 0.000 1.074 566 L CA 1.875 56.369 54.840 -0.576 0.000 0.745 566 L CB -1.266 40.101 42.059 -1.154 0.000 0.898 566 L HN 0.228 nan 8.230 nan 0.000 0.433 567 A N -0.568 122.157 122.820 -0.158 0.000 1.940 567 A HA -0.089 4.231 4.320 0.001 0.000 0.219 567 A C 2.304 179.899 177.584 0.017 0.000 1.176 567 A CA 1.625 53.630 52.037 -0.054 0.000 0.631 567 A CB -1.519 17.523 19.000 0.070 0.000 0.814 567 A HN 0.540 nan 8.150 nan 0.000 0.446 568 G N -0.859 107.976 108.800 0.057 0.000 2.421 568 G HA2 0.107 4.067 3.960 0.001 0.000 0.217 568 G HA3 0.107 4.067 3.960 0.001 0.000 0.217 568 G C 1.679 176.618 174.900 0.065 0.000 1.143 568 G CA 1.149 46.319 45.100 0.117 0.000 0.784 568 G HN 0.769 nan 8.290 nan 0.000 0.541 569 A N 0.851 123.608 122.820 -0.106 0.000 1.972 569 A HA 0.078 4.398 4.320 0.001 0.000 0.219 569 A C 2.296 179.880 177.584 -0.001 0.000 1.169 569 A CA 1.006 52.879 52.037 -0.274 0.000 0.635 569 A CB -0.391 18.024 19.000 -0.975 0.000 0.810 569 A HN 0.355 nan 8.150 nan 0.000 0.446 570 L N -0.886 120.379 121.223 0.069 0.000 2.447 570 L HA -0.127 4.213 4.340 0.001 0.000 0.225 570 L C 2.079 178.962 176.870 0.023 0.000 1.148 570 L CA 0.793 55.750 54.840 0.195 0.000 0.808 570 L CB -0.266 41.810 42.059 0.028 0.000 0.928 570 L HN 0.506 nan 8.230 nan 0.000 0.448 571 G N -1.417 107.447 108.800 0.107 0.000 3.575 571 G HA2 -0.010 3.950 3.960 0.001 0.000 0.273 571 G HA3 -0.010 3.950 3.960 0.001 0.000 0.273 571 G C 0.068 175.241 174.900 0.454 0.000 1.053 571 G CA -0.272 44.909 45.100 0.135 0.000 0.803 571 G HN 0.154 nan 8.290 nan 0.000 0.528 572 N N 1.062 120.037 118.700 0.459 0.000 2.372 572 N HA 0.120 4.861 4.740 0.001 0.000 0.285 572 N C 1.540 177.137 175.510 0.145 0.000 1.008 572 N CA -0.382 52.855 53.050 0.312 0.000 0.880 572 N CB 2.451 41.097 38.487 0.265 0.000 1.239 572 N HN -0.027 nan 8.380 nan 0.000 0.484 573 V N 1.777 121.498 119.914 -0.321 0.000 3.026 573 V HA -0.039 4.082 4.120 0.001 0.000 0.265 573 V C 1.054 176.815 176.094 -0.554 0.000 1.121 573 V CA 0.926 62.716 62.300 -0.850 0.000 1.142 573 V CB -0.928 30.375 31.823 -0.868 0.000 0.730 573 V HN 0.654 nan 8.190 nan 0.000 0.503 574 W N -1.387 119.932 121.300 0.032 0.000 3.197 574 W HA 0.425 5.086 4.660 0.002 0.000 0.274 574 W C 0.861 177.499 176.519 0.199 0.000 1.297 574 W CA -0.852 56.546 57.345 0.088 0.000 1.662 574 W CB 0.021 29.524 29.460 0.071 0.000 1.106 574 W HN 0.154 nan 8.180 nan 0.000 0.663 575 F N 2.401 122.487 119.950 0.225 0.000 2.467 575 F HA 0.202 4.729 4.527 0.000 0.000 0.362 575 F C 1.857 177.739 175.800 0.138 0.000 1.090 575 F CA -1.208 56.921 58.000 0.215 0.000 1.202 575 F CB 0.688 39.836 39.000 0.247 0.000 1.113 575 F HN -0.176 nan 8.300 nan 0.000 0.541 576 R N 3.699 124.014 120.500 -0.308 0.000 2.117 576 R HA -0.221 4.120 4.340 0.001 0.000 0.243 576 R C 0.526 176.363 176.300 -0.771 0.000 1.143 576 R CA 1.954 57.711 56.100 -0.572 0.000 0.968 576 R CB -0.285 29.540 30.300 -0.792 0.000 0.863 576 R HN 0.729 nan 8.270 nan 0.000 0.444 577 Y N -1.069 118.789 120.300 -0.737 0.000 2.625 577 Y HA 0.088 4.639 4.550 0.001 0.000 0.285 577 Y C -0.319 175.508 175.900 -0.121 0.000 1.168 577 Y CA -0.884 56.960 58.100 -0.426 0.000 1.250 577 Y CB -0.347 37.808 38.460 -0.507 0.000 1.130 577 Y HN 0.054 nan 8.280 nan 0.000 0.526 578 Y N 2.519 122.785 120.300 -0.056 0.000 2.895 578 Y HA 0.081 4.632 4.550 0.002 0.000 0.334 578 Y C -0.081 175.743 175.900 -0.127 0.000 1.261 578 Y CA 0.506 58.595 58.100 -0.017 0.000 1.560 578 Y CB 0.372 38.729 38.460 -0.172 0.000 1.253 578 Y HN 0.202 nan 8.280 nan 0.000 0.582 579 D N 6.238 126.190 120.400 -0.747 0.000 2.301 579 D HA 0.039 4.680 4.640 0.001 0.000 0.203 579 D C -0.384 175.534 176.300 -0.638 0.000 1.300 579 D CA -0.470 53.152 54.000 -0.631 0.000 0.899 579 D CB 0.850 41.508 40.800 -0.236 0.000 1.597 579 D HN 0.546 nan 8.370 nan 0.000 0.538 580 L N 3.396 124.177 121.223 -0.736 0.000 2.191 580 L HA 0.056 4.397 4.340 0.001 0.000 0.212 580 L C 2.384 179.039 176.870 -0.359 0.000 1.103 580 L CA 1.408 55.901 54.840 -0.577 0.000 0.769 580 L CB -0.490 41.301 42.059 -0.446 0.000 0.908 580 L HN 0.418 nan 8.230 nan 0.000 0.438 581 R N -0.735 119.605 120.500 -0.267 0.000 2.083 581 R HA -0.165 4.175 4.340 0.001 0.000 0.237 581 R C 1.961 178.187 176.300 -0.123 0.000 1.137 581 R CA 1.491 57.487 56.100 -0.173 0.000 0.951 581 R CB -0.338 29.871 30.300 -0.152 0.000 0.851 581 R HN 0.425 nan 8.270 nan 0.000 0.434 582 N N 0.545 119.169 118.700 -0.127 0.000 2.135 582 N HA -0.068 4.673 4.740 0.001 0.000 0.186 582 N C 1.722 177.129 175.510 -0.171 0.000 1.027 582 N CA 1.396 54.395 53.050 -0.085 0.000 0.849 582 N CB -0.472 37.975 38.487 -0.066 0.000 1.002 582 N HN 0.185 nan 8.380 nan 0.000 0.425 583 A N 0.690 123.355 122.820 -0.260 0.000 1.892 583 A HA -0.198 4.122 4.320 0.001 0.000 0.218 583 A C 2.351 179.803 177.584 -0.220 0.000 1.188 583 A CA 2.754 54.611 52.037 -0.300 0.000 0.631 583 A CB -1.347 17.301 19.000 -0.586 0.000 0.822 583 A HN 0.536 nan 8.150 nan 0.000 0.447 584 T N -2.769 111.654 114.554 -0.219 0.000 3.023 584 T HA 0.265 4.616 4.350 0.001 0.000 0.266 584 T C 1.815 176.480 174.700 -0.058 0.000 1.093 584 T CA 1.327 63.384 62.100 -0.072 0.000 1.129 584 T CB -0.357 68.482 68.868 -0.049 0.000 0.899 584 T HN 0.577 nan 8.240 nan 0.000 0.491 585 A N 1.528 124.301 122.820 -0.079 0.000 1.933 585 A HA 0.137 4.458 4.320 0.001 0.000 0.218 585 A C 2.264 179.790 177.584 -0.096 0.000 1.175 585 A CA 1.216 53.229 52.037 -0.040 0.000 0.628 585 A CB -0.739 18.276 19.000 0.024 0.000 0.814 585 A HN 0.588 nan 8.150 nan 0.000 0.444 586 I N 0.060 120.510 120.570 -0.200 0.000 2.163 586 I HA -0.219 3.952 4.170 0.001 0.000 0.240 586 I C 2.917 178.830 176.117 -0.339 0.000 1.081 586 I CA 1.877 62.975 61.300 -0.337 0.000 1.353 586 I CB -0.593 37.126 38.000 -0.468 0.000 1.054 586 I HN 0.514 nan 8.210 nan 0.000 0.407 587 T N -2.466 111.931 114.554 -0.262 0.000 2.821 587 T HA -0.116 4.235 4.350 0.001 0.000 0.267 587 T C 1.785 176.500 174.700 0.026 0.000 1.046 587 T CA 1.760 63.781 62.100 -0.131 0.000 1.139 587 T CB -0.832 68.071 68.868 0.059 0.000 0.871 587 T HN 0.244 nan 8.240 nan 0.000 0.454 588 T N 1.122 115.699 114.554 0.038 0.000 2.812 588 T HA 0.108 4.459 4.350 0.001 0.000 0.264 588 T C 1.362 176.104 174.700 0.069 0.000 1.042 588 T CA 0.877 63.016 62.100 0.065 0.000 1.140 588 T CB -0.637 68.260 68.868 0.049 0.000 0.870 588 T HN 0.376 nan 8.240 nan 0.000 0.445 589 F N 2.291 122.192 119.950 -0.081 0.000 2.126 589 F HA -0.027 4.500 4.527 0.001 0.000 0.299 589 F C 2.397 178.171 175.800 -0.044 0.000 1.096 589 F CA 1.324 59.268 58.000 -0.093 0.000 1.255 589 F CB -0.746 38.169 39.000 -0.142 0.000 0.997 589 F HN 0.188 nan 8.300 nan 0.000 0.479 590 G N -0.588 108.324 108.800 0.187 0.000 2.446 590 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 590 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 590 G C 1.507 176.494 174.900 0.144 0.000 1.168 590 G CA 0.823 46.039 45.100 0.193 0.000 0.771 590 G HN 0.424 nan 8.290 nan 0.000 0.551 591 Q N -0.675 119.201 119.800 0.128 0.000 2.096 591 Q HA -0.109 4.231 4.340 0.001 0.000 0.204 591 Q C 2.478 178.483 176.000 0.008 0.000 0.982 591 Q CA 1.438 57.308 55.803 0.112 0.000 0.850 591 Q CB -0.260 28.548 28.738 0.117 0.000 0.901 591 Q HN 0.607 nan 8.270 nan 0.000 0.422 592 M N 0.218 119.796 119.600 -0.037 0.000 2.086 592 M HA -0.174 4.307 4.480 0.001 0.000 0.261 592 M C 2.154 178.452 176.300 -0.004 0.000 1.067 592 M CA 1.800 57.066 55.300 -0.057 0.000 1.116 592 M CB -0.172 32.316 32.600 -0.187 0.000 1.348 592 M HN 0.191 nan 8.290 nan 0.000 0.407 593 A N 0.795 123.566 122.820 -0.082 0.000 1.883 593 A HA -0.203 4.117 4.320 0.001 0.000 0.217 593 A C 2.175 179.940 177.584 0.301 0.000 1.186 593 A CA 1.838 53.935 52.037 0.099 0.000 0.624 593 A CB -1.204 17.812 19.000 0.027 0.000 0.822 593 A HN 0.676 nan 8.150 nan 0.000 0.444 594 L N -1.005 120.345 121.223 0.212 0.000 1.994 594 L HA -0.259 4.082 4.340 0.001 0.000 0.208 594 L C 2.833 179.789 176.870 0.144 0.000 1.071 594 L CA 2.078 57.049 54.840 0.218 0.000 0.745 594 L CB -0.424 41.777 42.059 0.236 0.000 0.892 594 L HN 0.507 nan 8.230 nan 0.000 0.431 595 Q N -0.944 118.879 119.800 0.039 0.000 2.119 595 Q HA -0.259 4.081 4.340 0.001 0.000 0.201 595 Q C 1.907 177.919 176.000 0.020 0.000 0.972 595 Q CA 1.881 57.647 55.803 -0.062 0.000 0.847 595 Q CB -0.317 28.259 28.738 -0.269 0.000 0.903 595 Q HN 0.658 nan 8.270 nan 0.000 0.433 596 W N 0.916 122.160 121.300 -0.093 0.000 2.317 596 W HA -0.247 4.413 4.660 0.001 0.000 0.318 596 W C 1.713 178.131 176.519 -0.169 0.000 1.227 596 W CA 1.282 58.562 57.345 -0.108 0.000 1.269 596 W CB -0.317 29.098 29.460 -0.075 0.000 1.155 596 W HN 0.187 nan 8.180 nan 0.000 0.484 597 I N 1.328 121.945 120.570 0.078 0.000 2.617 597 I HA -0.188 3.983 4.170 0.001 0.000 0.256 597 I C 2.535 178.571 176.117 -0.134 0.000 1.167 597 I CA 1.749 62.953 61.300 -0.161 0.000 1.469 597 I CB -0.753 37.076 38.000 -0.286 0.000 1.098 597 I HN 0.076 nan 8.210 nan 0.000 0.436 598 E N 0.737 120.910 120.200 -0.045 0.000 2.033 598 E HA -0.349 4.001 4.350 0.001 0.000 0.199 598 E C 2.479 179.029 176.600 -0.083 0.000 1.011 598 E CA 1.746 58.129 56.400 -0.030 0.000 0.815 598 E CB -0.285 29.425 29.700 0.017 0.000 0.755 598 E HN 0.416 nan 8.360 nan 0.000 0.451 599 R N 0.304 120.717 120.500 -0.145 0.000 2.096 599 R HA -0.170 4.171 4.340 0.001 0.000 0.240 599 R C 2.340 178.503 176.300 -0.227 0.000 1.139 599 R CA 1.867 57.849 56.100 -0.196 0.000 0.952 599 R CB -0.039 30.083 30.300 -0.297 0.000 0.854 599 R HN 0.032 nan 8.270 nan 0.000 0.436 600 K N 0.080 120.286 120.400 -0.323 0.000 2.148 600 K HA -0.069 4.251 4.320 0.001 0.000 0.204 600 K C 2.052 178.545 176.600 -0.178 0.000 1.050 600 K CA 1.031 57.137 56.287 -0.301 0.000 0.942 600 K CB -0.164 32.105 32.500 -0.385 0.000 0.724 600 K HN 0.145 nan 8.250 nan 0.000 0.446 601 V N 2.234 122.051 119.914 -0.161 0.000 2.379 601 V HA -0.198 3.923 4.120 0.001 0.000 0.245 601 V C 1.918 177.991 176.094 -0.036 0.000 1.044 601 V CA 1.428 63.662 62.300 -0.111 0.000 1.036 601 V CB -0.453 31.288 31.823 -0.136 0.000 0.664 601 V HN 0.282 nan 8.190 nan 0.000 0.453 602 N N 0.241 118.940 118.700 -0.002 0.000 2.120 602 N HA -0.172 4.569 4.740 0.001 0.000 0.188 602 N C 1.857 177.391 175.510 0.040 0.000 1.024 602 N CA 1.447 54.551 53.050 0.090 0.000 0.852 602 N CB -0.215 38.326 38.487 0.090 0.000 1.003 602 N HN 0.578 nan 8.380 nan 0.000 0.424 603 E N -0.550 119.634 120.200 -0.027 0.000 2.077 603 E HA -0.194 4.157 4.350 0.001 0.000 0.193 603 E C 1.683 178.263 176.600 -0.034 0.000 0.989 603 E CA 0.826 57.200 56.400 -0.042 0.000 0.800 603 E CB -0.153 29.492 29.700 -0.093 0.000 0.746 603 E HN 0.453 nan 8.360 nan 0.000 0.452 604 Y N 0.925 121.133 120.300 -0.152 0.000 2.163 604 Y HA -0.145 4.405 4.550 0.001 0.000 0.288 604 Y C 1.886 177.673 175.900 -0.188 0.000 1.136 604 Y CA 1.282 59.284 58.100 -0.163 0.000 1.147 604 Y CB 0.036 38.383 38.460 -0.187 0.000 0.987 604 Y HN -0.057 nan 8.280 nan 0.000 0.509 605 L N 0.195 121.234 121.223 -0.306 0.000 2.156 605 L HA -0.187 4.153 4.340 0.001 0.000 0.208 605 L C 2.097 178.643 176.870 -0.539 0.000 1.095 605 L CA 0.761 55.208 54.840 -0.654 0.000 0.770 605 L CB -0.576 40.747 42.059 -1.226 0.000 0.914 605 L HN 0.318 nan 8.230 nan 0.000 0.439 606 N N 0.163 118.766 118.700 -0.161 0.000 2.120 606 N HA -0.235 4.505 4.740 0.001 0.000 0.188 606 N C 1.742 177.228 175.510 -0.041 0.000 1.024 606 N CA 1.342 54.448 53.050 0.093 0.000 0.852 606 N CB 0.010 38.578 38.487 0.136 0.000 1.003 606 N HN 0.449 nan 8.380 nan 0.000 0.424 607 E N 0.907 121.019 120.200 -0.146 0.000 2.017 607 E HA -0.145 4.205 4.350 0.001 0.000 0.193 607 E C 1.991 178.476 176.600 -0.192 0.000 0.997 607 E CA 1.667 57.969 56.400 -0.164 0.000 0.804 607 E CB 0.109 29.689 29.700 -0.200 0.000 0.757 607 E HN 0.198 nan 8.360 nan 0.000 0.448 608 V N -0.926 118.788 119.914 -0.333 0.000 2.759 608 V HA -0.131 3.989 4.120 0.001 0.000 0.256 608 V C 1.928 177.966 176.094 -0.093 0.000 1.080 608 V CA 1.371 63.520 62.300 -0.251 0.000 1.101 608 V CB -0.482 31.119 31.823 -0.370 0.000 0.698 608 V HN 0.370 nan 8.190 nan 0.000 0.477 609 C N 1.563 120.821 119.300 -0.069 0.000 2.754 609 C HA 0.633 5.093 4.460 0.001 0.000 0.276 609 C C 1.739 176.759 174.990 0.050 0.000 1.264 609 C CA -0.141 58.897 59.018 0.034 0.000 1.700 609 C CB -1.429 26.396 27.740 0.143 0.000 1.885 609 C HN 0.992 nan 8.230 nan 0.000 0.607 610 G N 2.516 111.324 108.800 0.013 0.000 2.370 610 G HA2 -0.140 3.820 3.960 0.001 0.000 0.293 610 G HA3 -0.140 3.820 3.960 0.001 0.000 0.293 610 G C -0.058 174.864 174.900 0.037 0.000 0.992 610 G CA 0.875 45.984 45.100 0.015 0.000 1.247 610 G HN 0.603 nan 8.290 nan 0.000 0.505 611 T N -1.150 113.436 114.554 0.054 0.000 2.731 611 T HA 0.701 5.052 4.350 0.001 0.000 0.300 611 T C -1.326 173.409 174.700 0.057 0.000 1.283 611 T CA -0.123 62.015 62.100 0.062 0.000 1.005 611 T CB 2.061 70.986 68.868 0.095 0.000 1.420 611 T HN 0.487 nan 8.240 nan 0.000 0.503 612 E N -0.693 119.532 120.200 0.042 0.000 2.321 612 E HA 0.502 4.852 4.350 0.001 0.000 0.278 612 E C 0.324 176.937 176.600 0.022 0.000 0.902 612 E CA 0.087 56.505 56.400 0.031 0.000 0.758 612 E CB 1.340 31.046 29.700 0.010 0.000 1.213 612 E HN 1.177 nan 8.360 nan 0.000 0.426 613 G N 2.721 111.537 108.800 0.027 0.000 2.155 613 G HA2 -0.305 3.656 3.960 0.001 0.000 0.257 613 G HA3 -0.305 3.656 3.960 0.001 0.000 0.257 613 G C 0.117 175.014 174.900 -0.005 0.000 0.983 613 G CA 0.862 45.969 45.100 0.011 0.000 0.676 613 G HN 0.447 nan 8.290 nan 0.000 0.528 614 E N 0.501 120.694 120.200 -0.011 0.000 2.313 614 E HA 0.658 5.009 4.350 0.001 0.000 0.276 614 E C 0.509 177.030 176.600 -0.131 0.000 1.031 614 E CA 0.341 56.664 56.400 -0.128 0.000 0.857 614 E CB 0.855 30.395 29.700 -0.267 0.000 1.040 614 E HN 0.833 nan 8.360 nan 0.000 0.408 615 A N 4.913 127.635 122.820 -0.163 0.000 2.316 615 A HA 0.307 4.627 4.320 0.001 0.000 0.311 615 A C -0.179 177.316 177.584 -0.148 0.000 1.339 615 A CA -0.308 51.685 52.037 -0.073 0.000 0.960 615 A CB -0.296 18.688 19.000 -0.027 0.000 1.152 615 A HN 0.770 nan 8.150 nan 0.000 0.547 616 F N 2.221 122.190 119.950 0.031 0.000 2.317 616 F HA 0.046 4.573 4.527 0.001 0.000 0.293 616 F C 1.159 176.981 175.800 0.037 0.000 1.085 616 F CA 0.610 58.639 58.000 0.047 0.000 1.390 616 F CB 0.208 39.243 39.000 0.058 0.000 1.077 616 F HN 0.283 nan 8.300 nan 0.000 0.517 617 V N 3.705 123.740 119.914 0.201 0.000 2.397 617 V HA -0.030 4.091 4.120 0.001 0.000 0.262 617 V C 0.927 177.029 176.094 0.013 0.000 1.047 617 V CA -0.000 62.364 62.300 0.107 0.000 1.003 617 V CB 0.441 32.319 31.823 0.092 0.000 1.037 617 V HN 0.266 nan 8.190 nan 0.000 0.480 618 L N 3.993 125.158 121.223 -0.096 0.000 2.477 618 L HA 0.501 4.842 4.340 0.001 0.000 0.220 618 L C 0.254 176.933 176.870 -0.319 0.000 1.106 618 L CA 0.705 55.370 54.840 -0.293 0.000 0.851 618 L CB -0.190 41.454 42.059 -0.692 0.000 0.994 618 L HN 0.509 nan 8.230 nan 0.000 0.462 619 Y N -0.759 119.324 120.300 -0.361 0.000 2.620 619 Y HA 0.614 5.164 4.550 0.001 0.000 0.331 619 Y C -0.873 175.043 175.900 0.027 0.000 1.173 619 Y CA -0.656 57.254 58.100 -0.318 0.000 1.076 619 Y CB 1.323 39.299 38.460 -0.808 0.000 1.336 619 Y HN -0.008 nan 8.280 nan 0.000 0.459 620 G N 2.826 111.125 108.800 -0.834 0.000 2.755 620 G HA2 0.444 4.405 3.960 0.001 0.000 0.297 620 G HA3 0.444 4.405 3.960 0.001 0.000 0.297 620 G C -2.714 171.780 174.900 -0.677 0.000 1.441 620 G CA -0.617 44.205 45.100 -0.463 0.000 0.964 620 G HN 0.477 nan 8.290 nan 0.000 0.540 621 D N 0.753 120.992 120.400 -0.268 0.000 2.575 621 D HA 0.535 5.175 4.640 0.001 0.000 0.250 621 D C 1.150 177.486 176.300 0.060 0.000 1.279 621 D CA 0.621 54.560 54.000 -0.102 0.000 0.925 621 D CB 1.320 42.152 40.800 0.053 0.000 1.261 621 D HN 0.498 nan 8.370 nan 0.000 0.567 622 T N 2.607 117.218 114.554 0.095 0.000 13.132 622 T HA -0.286 4.065 4.350 0.001 0.000 0.419 622 T C 0.612 175.411 174.700 0.166 0.000 1.442 622 T CA 1.925 64.111 62.100 0.143 0.000 2.366 622 T CB -1.142 67.772 68.868 0.077 0.000 2.813 622 T HN 0.668 nan 8.240 nan 0.000 0.650 623 D N 1.160 121.639 120.400 0.131 0.000 2.594 623 D HA 0.337 4.978 4.640 0.001 0.000 0.256 623 D C 0.031 176.413 176.300 0.137 0.000 1.393 623 D CA 0.569 54.650 54.000 0.136 0.000 0.797 623 D CB -0.013 40.841 40.800 0.091 0.000 1.110 623 D HN 0.744 nan 8.370 nan 0.000 0.495 624 S N 0.324 116.103 115.700 0.132 0.000 2.542 624 S HA 0.785 5.256 4.470 0.001 0.000 0.293 624 S C -0.208 174.447 174.600 0.090 0.000 1.089 624 S CA -0.904 57.356 58.200 0.101 0.000 0.961 624 S CB 1.910 65.180 63.200 0.116 0.000 1.062 624 S HN 0.327 nan 8.310 nan 0.000 0.483 625 I N -0.790 119.801 120.570 0.035 0.000 2.785 625 I HA 0.709 4.880 4.170 0.001 0.000 0.302 625 I C -1.891 174.182 176.117 -0.072 0.000 1.069 625 I CA -1.345 60.000 61.300 0.075 0.000 1.045 625 I CB 1.594 39.662 38.000 0.114 0.000 1.236 625 I HN 0.628 nan 8.210 nan 0.000 0.429 626 Y N 3.632 123.992 120.300 0.099 0.000 2.328 626 Y HA 0.633 5.183 4.550 0.001 0.000 0.336 626 Y C -0.346 175.582 175.900 0.048 0.000 0.960 626 Y CA -0.967 57.186 58.100 0.088 0.000 1.134 626 Y CB 2.159 40.623 38.460 0.008 0.000 1.166 626 Y HN 0.299 nan 8.280 nan 0.000 0.464 627 V N 2.586 122.657 119.914 0.261 0.000 2.384 627 V HA 0.293 4.413 4.120 0.001 0.000 0.287 627 V C 0.133 176.381 176.094 0.256 0.000 1.020 627 V CA -0.920 61.540 62.300 0.267 0.000 0.850 627 V CB 1.672 33.712 31.823 0.362 0.000 0.987 627 V HN 0.810 nan 8.190 nan 0.000 0.436 628 S N 3.662 119.498 115.700 0.226 0.000 2.498 628 S HA 0.384 4.855 4.470 0.001 0.000 0.281 628 S C 0.960 175.748 174.600 0.314 0.000 1.265 628 S CA 0.181 58.531 58.200 0.251 0.000 1.071 628 S CB 0.804 64.132 63.200 0.214 0.000 0.894 628 S HN 1.033 nan 8.310 nan 0.000 0.491 629 A N 4.290 127.279 122.820 0.282 0.000 2.465 629 A HA 0.256 4.576 4.320 0.001 0.000 0.255 629 A C 1.272 178.946 177.584 0.150 0.000 1.274 629 A CA -0.143 52.023 52.037 0.215 0.000 0.920 629 A CB -0.127 18.977 19.000 0.172 0.000 1.033 629 A HN 0.779 nan 8.150 nan 0.000 0.516 630 D N 1.039 121.562 120.400 0.205 0.000 2.104 630 D HA -0.167 4.474 4.640 0.001 0.000 0.194 630 D C 1.733 178.085 176.300 0.087 0.000 0.994 630 D CA 1.454 55.555 54.000 0.168 0.000 0.830 630 D CB -0.051 40.849 40.800 0.167 0.000 0.959 630 D HN 0.440 nan 8.370 nan 0.000 0.452 631 K N -0.084 120.392 120.400 0.126 0.000 2.148 631 K HA -0.018 4.303 4.320 0.001 0.000 0.204 631 K C 2.212 178.867 176.600 0.092 0.000 1.050 631 K CA 0.458 56.820 56.287 0.125 0.000 0.942 631 K CB -0.001 32.623 32.500 0.207 0.000 0.724 631 K HN 0.206 nan 8.250 nan 0.000 0.446 632 I N 0.973 121.580 120.570 0.062 0.000 2.202 632 I HA -0.264 3.906 4.170 0.001 0.000 0.242 632 I C 2.061 178.176 176.117 -0.004 0.000 1.091 632 I CA 0.836 62.098 61.300 -0.062 0.000 1.368 632 I CB -0.171 37.669 38.000 -0.266 0.000 1.058 632 I HN 0.090 nan 8.210 nan 0.000 0.410 633 I N 0.588 121.118 120.570 -0.065 0.000 2.252 633 I HA -0.262 3.908 4.170 0.001 0.000 0.245 633 I C 2.080 178.150 176.117 -0.078 0.000 1.102 633 I CA 1.629 62.839 61.300 -0.149 0.000 1.385 633 I CB -1.261 36.404 38.000 -0.559 0.000 1.064 633 I HN 0.260 nan 8.210 nan 0.000 0.414 634 D N 0.780 121.155 120.400 -0.041 0.000 2.178 634 D HA -0.189 4.452 4.640 0.001 0.000 0.201 634 D C 2.095 178.386 176.300 -0.016 0.000 0.980 634 D CA 0.970 54.961 54.000 -0.015 0.000 0.842 634 D CB -0.049 40.757 40.800 0.010 0.000 0.948 634 D HN 0.095 nan 8.370 nan 0.000 0.472 635 K N 0.343 120.741 120.400 -0.003 0.000 2.209 635 K HA -0.052 4.269 4.320 0.001 0.000 0.204 635 K C 1.672 178.252 176.600 -0.033 0.000 1.048 635 K CA 0.553 56.840 56.287 0.001 0.000 0.940 635 K CB -0.037 32.481 32.500 0.030 0.000 0.729 635 K HN -0.002 nan 8.250 nan 0.000 0.451 636 V N -1.340 118.527 119.914 -0.078 0.000 2.795 636 V HA 0.280 4.401 4.120 0.001 0.000 0.243 636 V C 0.577 176.558 176.094 -0.189 0.000 1.069 636 V CA 0.638 62.830 62.300 -0.181 0.000 1.089 636 V CB -0.004 31.596 31.823 -0.372 0.000 0.756 636 V HN 0.481 nan 8.190 nan 0.000 0.471 637 G N 0.578 109.307 108.800 -0.118 0.000 3.055 637 G HA2 -0.141 3.820 3.960 0.001 0.000 0.686 637 G HA3 -0.141 3.820 3.960 0.001 0.000 0.686 637 G C -0.073 174.802 174.900 -0.043 0.000 1.087 637 G CA -0.075 44.977 45.100 -0.080 0.000 0.779 637 G HN 0.292 nan 8.290 nan 0.000 0.599 638 E N 0.819 121.040 120.200 0.035 0.000 2.472 638 E HA -0.085 4.266 4.350 0.001 0.000 0.200 638 E C 2.532 179.200 176.600 0.115 0.000 1.046 638 E CA 0.817 57.300 56.400 0.139 0.000 0.871 638 E CB -0.063 29.692 29.700 0.093 0.000 0.806 638 E HN 0.576 nan 8.360 nan 0.000 0.533 639 S N 1.033 116.736 115.700 0.005 0.000 2.427 639 S HA -0.322 4.149 4.470 0.001 0.000 0.261 639 S C 1.680 176.288 174.600 0.014 0.000 1.091 639 S CA 2.194 60.387 58.200 -0.012 0.000 1.251 639 S CB -0.166 63.000 63.200 -0.057 0.000 1.160 639 S HN 0.215 nan 8.310 nan 0.000 0.436 640 K N -2.262 118.130 120.400 -0.014 0.000 1.705 640 K HA 0.071 4.391 4.320 0.001 0.000 0.318 640 K C -0.906 175.549 176.600 -0.241 0.000 1.651 640 K CA 0.435 56.620 56.287 -0.170 0.000 1.542 640 K CB -1.095 31.227 32.500 -0.296 0.000 1.872 640 K HN 0.285 nan 8.250 nan 0.000 0.373 641 F N 2.514 122.507 119.950 0.072 0.000 2.385 641 F HA 0.445 4.973 4.527 0.001 0.000 0.336 641 F C 1.736 177.686 175.800 0.250 0.000 1.100 641 F CA -0.448 57.697 58.000 0.242 0.000 1.116 641 F CB 1.240 40.321 39.000 0.135 0.000 1.166 641 F HN -0.092 nan 8.300 nan 0.000 0.511 642 R N 0.331 121.126 120.500 0.491 0.000 2.066 642 R HA -0.051 4.290 4.340 0.001 0.000 0.232 642 R C -0.463 175.935 176.300 0.163 0.000 1.131 642 R CA 1.607 57.809 56.100 0.169 0.000 0.955 642 R CB -0.227 30.053 30.300 -0.032 0.000 0.851 642 R HN 0.813 nan 8.270 nan 0.000 0.432 643 D N -4.186 116.336 120.400 0.203 0.000 2.838 643 D HA 0.089 4.729 4.640 0.001 0.000 0.334 643 D C 0.311 176.610 176.300 -0.002 0.000 1.315 643 D CA -0.639 53.417 54.000 0.094 0.000 0.917 643 D CB 0.149 40.958 40.800 0.014 0.000 1.435 643 D HN -0.314 nan 8.370 nan 0.000 0.517 644 T N -0.439 113.995 114.554 -0.200 0.000 2.652 644 T HA -0.162 4.188 4.350 0.001 0.000 0.267 644 T C 1.467 175.550 174.700 -1.028 0.000 1.039 644 T CA 2.060 63.748 62.100 -0.687 0.000 1.153 644 T CB -0.695 67.644 68.868 -0.882 0.000 0.863 644 T HN 0.540 nan 8.240 nan 0.000 0.428 645 N N 0.303 118.652 118.700 -0.586 0.000 2.258 645 N HA -0.165 4.575 4.740 0.001 0.000 0.187 645 N C 1.639 176.996 175.510 -0.255 0.000 1.012 645 N CA 1.386 54.188 53.050 -0.414 0.000 0.870 645 N CB -0.254 38.123 38.487 -0.183 0.000 0.977 645 N HN 0.624 nan 8.380 nan 0.000 0.434 646 H N -0.871 118.050 119.070 -0.248 0.000 2.293 646 H HA -0.140 4.416 4.556 0.001 0.000 0.300 646 H C 1.816 177.121 175.328 -0.040 0.000 1.082 646 H CA 1.666 57.708 56.048 -0.010 0.000 1.308 646 H CB -0.309 29.579 29.762 0.211 0.000 1.375 646 H HN 0.564 nan 8.280 nan 0.000 0.495 647 W N 0.874 121.861 121.300 -0.522 0.000 2.465 647 W HA -0.026 4.634 4.660 0.001 0.000 0.268 647 W C 1.347 177.672 176.519 -0.323 0.000 1.242 647 W CA 0.654 57.417 57.345 -0.970 0.000 1.248 647 W CB -0.898 27.592 29.460 -1.617 0.000 1.118 647 W HN 0.016 nan 8.180 nan 0.000 0.587 648 V N 2.184 121.726 119.914 -0.619 0.000 2.323 648 V HA -0.277 3.843 4.120 0.001 0.000 0.244 648 V C 2.365 178.410 176.094 -0.083 0.000 1.041 648 V CA 2.371 64.421 62.300 -0.417 0.000 1.025 648 V CB -0.950 30.468 31.823 -0.675 0.000 0.656 648 V HN -0.002 nan 8.190 nan 0.000 0.451 649 D N -0.349 120.024 120.400 -0.045 0.000 2.149 649 D HA -0.196 4.445 4.640 0.001 0.000 0.198 649 D C 1.917 178.317 176.300 0.168 0.000 0.990 649 D CA 1.401 55.446 54.000 0.076 0.000 0.839 649 D CB -0.193 40.684 40.800 0.127 0.000 0.948 649 D HN 0.464 nan 8.370 nan 0.000 0.460 650 F N 1.395 121.387 119.950 0.070 0.000 2.102 650 F HA -0.112 4.416 4.527 0.001 0.000 0.298 650 F C 2.186 178.079 175.800 0.155 0.000 1.105 650 F CA 1.096 59.173 58.000 0.130 0.000 1.239 650 F CB -0.362 38.730 39.000 0.152 0.000 0.991 650 F HN -0.131 nan 8.300 nan 0.000 0.474 651 L N -0.187 121.064 121.223 0.047 0.000 2.093 651 L HA -0.169 4.172 4.340 0.001 0.000 0.208 651 L C 2.235 179.138 176.870 0.054 0.000 1.085 651 L CA 1.487 56.327 54.840 -0.001 0.000 0.755 651 L CB -0.880 41.284 42.059 0.176 0.000 0.904 651 L HN 0.151 nan 8.230 nan 0.000 0.435 652 D N 0.728 121.161 120.400 0.055 0.000 2.087 652 D HA -0.252 4.389 4.640 0.001 0.000 0.192 652 D C 2.156 178.482 176.300 0.044 0.000 0.993 652 D CA 1.574 55.600 54.000 0.043 0.000 0.828 652 D CB 0.091 40.907 40.800 0.027 0.000 0.968 652 D HN 0.031 nan 8.370 nan 0.000 0.448 653 K N -1.229 119.192 120.400 0.035 0.000 2.032 653 K HA -0.174 4.146 4.320 0.001 0.000 0.209 653 K C 2.279 178.886 176.600 0.012 0.000 1.048 653 K CA 1.187 57.491 56.287 0.028 0.000 0.927 653 K CB -0.467 32.066 32.500 0.055 0.000 0.712 653 K HN 0.163 nan 8.250 nan 0.000 0.441 654 F N 0.680 120.510 119.950 -0.200 0.000 2.171 654 F HA -0.165 4.362 4.527 0.001 0.000 0.300 654 F C 1.944 177.723 175.800 -0.035 0.000 1.090 654 F CA 1.397 59.284 58.000 -0.189 0.000 1.293 654 F CB -0.177 38.590 39.000 -0.388 0.000 1.013 654 F HN 0.070 nan 8.300 nan 0.000 0.486 655 A N 0.134 123.071 122.820 0.196 0.000 1.898 655 A HA -0.147 4.174 4.320 0.001 0.000 0.216 655 A C 2.320 179.970 177.584 0.110 0.000 1.181 655 A CA 1.565 53.753 52.037 0.251 0.000 0.620 655 A CB -0.697 18.483 19.000 0.301 0.000 0.819 655 A HN 0.420 nan 8.150 nan 0.000 0.442 656 R N -0.520 120.011 120.500 0.051 0.000 2.075 656 R HA -0.049 4.292 4.340 0.001 0.000 0.226 656 R C 1.863 178.140 176.300 -0.039 0.000 1.114 656 R CA 1.560 57.671 56.100 0.018 0.000 0.972 656 R CB -0.108 30.202 30.300 0.016 0.000 0.869 656 R HN 0.639 nan 8.270 nan 0.000 0.437 657 E N -1.069 119.086 120.200 -0.075 0.000 2.276 657 E HA 0.002 4.352 4.350 0.001 0.000 0.193 657 E C 1.767 178.263 176.600 -0.173 0.000 0.983 657 E CA 0.282 56.623 56.400 -0.098 0.000 0.861 657 E CB 0.506 30.166 29.700 -0.065 0.000 0.817 657 E HN 0.155 nan 8.360 nan 0.000 0.485 658 R N -0.287 120.033 120.500 -0.300 0.000 2.144 658 R HA 0.262 4.603 4.340 0.001 0.000 0.195 658 R C 2.170 178.183 176.300 -0.479 0.000 1.077 658 R CA 0.399 56.258 56.100 -0.400 0.000 1.120 658 R CB -0.399 29.482 30.300 -0.698 0.000 1.060 658 R HN 0.128 nan 8.270 nan 0.000 0.520 659 M N 1.087 120.418 119.600 -0.449 0.000 2.123 659 M HA -0.054 4.426 4.480 0.001 0.000 0.263 659 M C 1.942 177.997 176.300 -0.407 0.000 1.069 659 M CA 1.682 56.714 55.300 -0.446 0.000 1.133 659 M CB -0.303 32.166 32.600 -0.218 0.000 1.356 659 M HN 0.148 nan 8.290 nan 0.000 0.415 660 E N -0.014 120.065 120.200 -0.200 0.000 2.085 660 E HA -0.185 4.165 4.350 0.001 0.000 0.194 660 E C -0.739 175.781 176.600 -0.133 0.000 0.994 660 E CA 1.233 57.570 56.400 -0.105 0.000 0.801 660 E CB -0.970 28.743 29.700 0.022 0.000 0.743 660 E HN 0.372 nan 8.360 nan 0.000 0.453 661 P HA -0.156 nan 4.420 nan 0.000 0.216 661 P C 1.048 178.211 177.300 -0.228 0.000 1.153 661 P CA 1.743 64.748 63.100 -0.159 0.000 0.848 661 P CB 0.009 31.615 31.700 -0.156 0.000 0.787 662 A N -0.768 121.794 122.820 -0.431 0.000 1.933 662 A HA -0.182 4.139 4.320 0.001 0.000 0.218 662 A C 2.203 179.571 177.584 -0.360 0.000 1.175 662 A CA 1.447 53.161 52.037 -0.537 0.000 0.628 662 A CB -1.627 16.632 19.000 -1.234 0.000 0.814 662 A HN 0.112 nan 8.150 nan 0.000 0.444 663 I N -0.244 120.130 120.570 -0.326 0.000 2.202 663 I HA -0.227 3.943 4.170 0.001 0.000 0.242 663 I C 1.924 178.018 176.117 -0.038 0.000 1.091 663 I CA 1.456 62.623 61.300 -0.222 0.000 1.368 663 I CB -0.434 37.460 38.000 -0.178 0.000 1.058 663 I HN 0.265 nan 8.210 nan 0.000 0.410 664 D N 0.734 121.164 120.400 0.050 0.000 2.149 664 D HA -0.178 4.462 4.640 0.001 0.000 0.198 664 D C 2.323 178.661 176.300 0.064 0.000 0.990 664 D CA 1.214 55.315 54.000 0.168 0.000 0.839 664 D CB -0.221 40.659 40.800 0.132 0.000 0.948 664 D HN 0.315 nan 8.370 nan 0.000 0.460 665 R N 0.218 120.701 120.500 -0.029 0.000 2.081 665 R HA -0.074 4.267 4.340 0.001 0.000 0.235 665 R C 2.450 178.744 176.300 -0.011 0.000 1.131 665 R CA 1.209 57.284 56.100 -0.043 0.000 0.960 665 R CB -0.530 29.726 30.300 -0.074 0.000 0.856 665 R HN 0.158 nan 8.270 nan 0.000 0.436 666 G N 0.352 109.127 108.800 -0.041 0.000 2.418 666 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 666 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 666 G C 1.067 176.079 174.900 0.187 0.000 1.158 666 G CA 0.561 45.677 45.100 0.027 0.000 0.771 666 G HN 0.163 nan 8.290 nan 0.000 0.545 667 F N 0.477 120.512 119.950 0.141 0.000 2.293 667 F HA 0.235 4.763 4.527 0.001 0.000 0.297 667 F C 2.781 178.515 175.800 -0.110 0.000 1.089 667 F CA 0.488 58.518 58.000 0.050 0.000 1.377 667 F CB -0.266 38.842 39.000 0.179 0.000 1.051 667 F HN -0.029 nan 8.300 nan 0.000 0.511 668 R N 0.218 120.677 120.500 -0.070 0.000 2.096 668 R HA -0.179 4.162 4.340 0.001 0.000 0.235 668 R C 2.219 178.481 176.300 -0.062 0.000 1.127 668 R CA 1.541 57.493 56.100 -0.248 0.000 0.968 668 R CB -0.361 29.782 30.300 -0.263 0.000 0.861 668 R HN 0.316 nan 8.270 nan 0.000 0.440 669 E N 0.148 120.365 120.200 0.029 0.000 2.077 669 E HA -0.236 4.114 4.350 0.001 0.000 0.193 669 E C 1.921 178.533 176.600 0.020 0.000 0.989 669 E CA 1.164 57.617 56.400 0.088 0.000 0.800 669 E CB 0.009 29.839 29.700 0.217 0.000 0.746 669 E HN 0.279 nan 8.360 nan 0.000 0.452 670 M N 0.195 119.699 119.600 -0.159 0.000 2.175 670 M HA -0.149 4.331 4.480 0.001 0.000 0.264 670 M C 2.528 178.704 176.300 -0.206 0.000 1.063 670 M CA 1.229 56.173 55.300 -0.594 0.000 1.119 670 M CB -0.221 31.717 32.600 -1.103 0.000 1.377 670 M HN 0.378 nan 8.290 nan 0.000 0.415 671 C N 0.984 120.252 119.300 -0.053 0.000 2.425 671 C HA -0.131 4.330 4.460 0.001 0.000 0.277 671 C C 2.526 177.527 174.990 0.019 0.000 1.280 671 C CA 1.190 60.225 59.018 0.029 0.000 1.744 671 C CB -0.977 26.805 27.740 0.069 0.000 1.989 671 C HN 0.537 nan 8.230 nan 0.000 0.491 672 E N -0.468 119.742 120.200 0.016 0.000 2.051 672 E HA -0.160 4.191 4.350 0.001 0.000 0.192 672 E C 1.877 178.529 176.600 0.086 0.000 0.991 672 E CA 1.275 57.698 56.400 0.039 0.000 0.799 672 E CB -0.830 28.891 29.700 0.036 0.000 0.748 672 E HN 0.812 nan 8.360 nan 0.000 0.449 673 Y N 0.947 121.199 120.300 -0.079 0.000 2.081 673 Y HA -0.206 4.345 4.550 0.001 0.000 0.280 673 Y C 2.061 177.902 175.900 -0.098 0.000 1.163 673 Y CA 1.395 59.446 58.100 -0.081 0.000 1.135 673 Y CB -0.261 38.114 38.460 -0.141 0.000 0.970 673 Y HN -0.011 nan 8.280 nan 0.000 0.498 674 M N 0.404 119.951 119.600 -0.087 0.000 2.618 674 M HA -0.018 4.462 4.480 0.001 0.000 0.240 674 M C 0.625 176.880 176.300 -0.075 0.000 1.123 674 M CA 0.592 55.799 55.300 -0.156 0.000 1.060 674 M CB -1.833 30.760 32.600 -0.011 0.000 1.535 674 M HN 0.378 nan 8.290 nan 0.000 0.507 675 N N 2.458 121.138 118.700 -0.033 0.000 2.714 675 N HA -0.218 4.522 4.740 0.001 0.000 0.252 675 N C -0.911 174.597 175.510 -0.003 0.000 1.014 675 N CA 0.372 53.412 53.050 -0.017 0.000 0.735 675 N CB -1.353 37.111 38.487 -0.039 0.000 0.924 675 N HN 0.535 nan 8.380 nan 0.000 0.540 676 N N 0.228 118.929 118.700 0.003 0.000 2.467 676 N HA 0.084 4.824 4.740 0.001 0.000 0.262 676 N C 1.256 176.759 175.510 -0.012 0.000 1.234 676 N CA -0.310 52.730 53.050 -0.015 0.000 0.952 676 N CB 0.708 39.176 38.487 -0.033 0.000 1.158 676 N HN 0.277 nan 8.380 nan 0.000 0.463 677 K N 0.588 120.969 120.400 -0.031 0.000 2.057 677 K HA -0.138 4.183 4.320 0.001 0.000 0.207 677 K C 0.067 176.657 176.600 -0.016 0.000 1.049 677 K CA 1.411 57.687 56.287 -0.018 0.000 0.931 677 K CB 0.209 32.689 32.500 -0.033 0.000 0.714 677 K HN 0.570 nan 8.250 nan 0.000 0.440 678 Q N -0.148 119.629 119.800 -0.039 0.000 2.295 678 Q HA 0.032 4.372 4.340 0.001 0.000 0.268 678 Q C -1.827 174.156 176.000 -0.029 0.000 1.010 678 Q CA -0.701 55.088 55.803 -0.023 0.000 0.856 678 Q CB 1.335 30.041 28.738 -0.055 0.000 1.349 678 Q HN 0.370 nan 8.270 nan 0.000 0.412 679 H N 5.778 124.812 119.070 -0.061 0.000 2.878 679 H HA 0.213 4.770 4.556 0.001 0.000 0.290 679 H C -0.482 174.706 175.328 -0.232 0.000 1.065 679 H CA 0.418 56.414 56.048 -0.087 0.000 1.477 679 H CB 0.543 30.318 29.762 0.021 0.000 1.484 679 H HN 0.669 nan 8.280 nan 0.000 0.504 680 L N 5.699 126.401 121.223 -0.868 0.000 3.410 680 L HA 0.150 4.490 4.340 0.001 0.000 0.309 680 L C -0.204 175.794 176.870 -1.454 0.000 1.254 680 L CA -0.151 53.878 54.840 -1.352 0.000 1.048 680 L CB 0.563 42.146 42.059 -0.794 0.000 1.442 680 L HN 0.616 nan 8.230 nan 0.000 0.615 681 M N 1.576 120.527 119.600 -1.082 0.000 2.557 681 M HA 0.263 4.743 4.480 0.001 0.000 0.328 681 M C -1.030 174.971 176.300 -0.498 0.000 1.423 681 M CA 0.252 55.063 55.300 -0.815 0.000 1.418 681 M CB -0.546 31.429 32.600 -1.041 0.000 1.381 681 M HN -0.114 nan 8.290 nan 0.000 0.467 682 F N 3.558 123.355 119.950 -0.255 0.000 2.308 682 F HA 0.466 4.994 4.527 0.001 0.000 0.370 682 F C 0.330 176.130 175.800 0.001 0.000 1.100 682 F CA -1.178 56.773 58.000 -0.082 0.000 1.108 682 F CB 0.616 39.574 39.000 -0.070 0.000 1.293 682 F HN 0.451 nan 8.300 nan 0.000 0.478 683 M N 4.713 124.491 119.600 0.296 0.000 2.047 683 M HA 0.395 4.875 4.480 0.001 0.000 0.342 683 M C -1.313 175.162 176.300 0.292 0.000 1.058 683 M CA -0.149 55.326 55.300 0.291 0.000 0.991 683 M CB 0.317 33.164 32.600 0.411 0.000 1.474 683 M HN 0.360 nan 8.290 nan 0.000 0.419 684 D N 3.609 124.158 120.400 0.249 0.000 2.228 684 D HA 0.305 4.946 4.640 0.001 0.000 0.247 684 D C -0.387 176.044 176.300 0.219 0.000 0.995 684 D CA -0.463 53.669 54.000 0.220 0.000 0.903 684 D CB 1.415 42.284 40.800 0.115 0.000 1.205 684 D HN 0.555 nan 8.370 nan 0.000 0.459 685 R N 1.415 121.996 120.500 0.136 0.000 2.585 685 R HA -0.053 4.288 4.340 0.001 0.000 0.275 685 R C 0.507 176.682 176.300 -0.209 0.000 1.018 685 R CA 0.654 56.571 56.100 -0.305 0.000 1.072 685 R CB 0.700 30.827 30.300 -0.288 0.000 0.953 685 R HN 0.640 nan 8.270 nan 0.000 0.419 686 E N 2.303 122.330 120.200 -0.288 0.000 2.175 686 E HA 0.235 4.586 4.350 0.001 0.000 0.193 686 E C -0.572 175.963 176.600 -0.109 0.000 0.962 686 E CA 0.240 56.558 56.400 -0.137 0.000 0.981 686 E CB 0.366 30.012 29.700 -0.090 0.000 1.093 686 E HN 0.690 nan 8.360 nan 0.000 0.483 687 A N 0.791 123.549 122.820 -0.103 0.000 2.350 687 A HA 0.627 4.948 4.320 0.001 0.000 0.324 687 A C -0.923 176.684 177.584 0.038 0.000 1.118 687 A CA -0.576 51.466 52.037 0.009 0.000 0.783 687 A CB 0.802 19.868 19.000 0.110 0.000 1.236 687 A HN 0.306 nan 8.150 nan 0.000 0.457 688 I N 1.668 122.313 120.570 0.125 0.000 2.362 688 I HA 0.571 4.741 4.170 0.001 0.000 0.289 688 I C 0.381 176.756 176.117 0.429 0.000 0.994 688 I CA -0.114 61.340 61.300 0.256 0.000 1.158 688 I CB 1.800 39.943 38.000 0.237 0.000 1.315 688 I HN 0.713 nan 8.210 nan 0.000 0.451 689 A N 4.644 127.762 122.820 0.497 0.000 2.401 689 A HA 1.014 5.335 4.320 0.001 0.000 0.310 689 A C -0.239 177.723 177.584 0.631 0.000 1.075 689 A CA -0.440 51.908 52.037 0.518 0.000 0.746 689 A CB 1.783 20.983 19.000 0.333 0.000 1.277 689 A HN 0.892 nan 8.150 nan 0.000 0.425 690 G N 0.736 109.937 108.800 0.669 0.000 2.316 690 G HA2 0.564 4.524 3.960 0.001 0.000 0.296 690 G HA3 0.564 4.524 3.960 0.001 0.000 0.296 690 G C -3.586 171.666 174.900 0.587 0.000 1.399 690 G CA -0.544 44.783 45.100 0.380 0.000 0.833 690 G HN 0.604 nan 8.290 nan 0.000 0.565 691 P HA 0.403 nan 4.420 nan 0.000 0.276 691 P C -2.737 174.921 177.300 0.597 0.000 1.252 691 P CA -1.422 61.873 63.100 0.326 0.000 0.802 691 P CB 0.263 32.006 31.700 0.073 0.000 1.035 692 P HA 0.077 nan 4.420 nan 0.000 0.266 692 P C 0.140 177.634 177.300 0.322 0.000 1.195 692 P CA 0.114 63.514 63.100 0.499 0.000 0.768 692 P CB 0.263 32.212 31.700 0.414 0.000 0.838 693 L N 3.010 124.409 121.223 0.294 0.000 2.513 693 L HA 0.123 4.464 4.340 0.001 0.000 0.272 693 L C 1.301 178.278 176.870 0.179 0.000 1.187 693 L CA 0.964 55.967 54.840 0.272 0.000 0.895 693 L CB -0.695 41.536 42.059 0.286 0.000 1.147 693 L HN 0.814 nan 8.230 nan 0.000 0.483 694 G N 2.511 111.399 108.800 0.148 0.000 2.160 694 G HA2 -0.292 3.668 3.960 0.001 0.000 0.251 694 G HA3 -0.292 3.668 3.960 0.001 0.000 0.251 694 G C 0.255 175.213 174.900 0.098 0.000 1.008 694 G CA 0.527 45.692 45.100 0.109 0.000 0.724 694 G HN 0.888 nan 8.290 nan 0.000 0.514 695 S N -1.557 114.208 115.700 0.109 0.000 2.768 695 S HA 0.756 5.227 4.470 0.001 0.000 0.300 695 S C 0.878 175.520 174.600 0.069 0.000 1.122 695 S CA -0.114 58.142 58.200 0.094 0.000 0.995 695 S CB 1.610 64.882 63.200 0.121 0.000 1.195 695 S HN 0.187 nan 8.310 nan 0.000 0.547 696 K N -0.098 120.338 120.400 0.060 0.000 2.358 696 K HA 0.259 4.580 4.320 0.001 0.000 0.200 696 K C 0.940 177.563 176.600 0.037 0.000 1.030 696 K CA 0.017 56.328 56.287 0.040 0.000 1.097 696 K CB 0.161 32.681 32.500 0.033 0.000 0.862 696 K HN 0.715 nan 8.250 nan 0.000 0.534 697 G N 1.466 110.298 108.800 0.054 0.000 2.554 697 G HA2 0.067 4.028 3.960 0.001 0.000 0.238 697 G HA3 0.067 4.028 3.960 0.001 0.000 0.238 697 G C 0.816 175.734 174.900 0.030 0.000 1.259 697 G CA -0.354 44.779 45.100 0.055 0.000 0.843 697 G HN 0.327 nan 8.290 nan 0.000 0.582 698 I N -0.587 120.007 120.570 0.041 0.000 3.860 698 I HA 0.360 4.530 4.170 0.001 0.000 0.319 698 I C 1.732 177.872 176.117 0.037 0.000 1.279 698 I CA 0.444 61.763 61.300 0.032 0.000 1.220 698 I CB 0.107 38.141 38.000 0.057 0.000 1.027 698 I HN 0.806 nan 8.210 nan 0.000 0.428 699 G N 1.359 110.190 108.800 0.052 0.000 3.444 699 G HA2 -0.223 3.737 3.960 0.001 0.000 0.222 699 G HA3 -0.223 3.737 3.960 0.001 0.000 0.222 699 G C 0.492 175.456 174.900 0.108 0.000 1.358 699 G CA -0.012 45.125 45.100 0.062 0.000 0.880 699 G HN 1.082 nan 8.290 nan 0.000 0.555 700 G N -1.066 107.832 108.800 0.164 0.000 2.649 700 G HA2 0.900 4.860 3.960 0.001 0.000 0.290 700 G HA3 0.900 4.860 3.960 0.001 0.000 0.290 700 G C -1.048 174.062 174.900 0.350 0.000 1.426 700 G CA -0.016 45.189 45.100 0.174 0.000 0.794 700 G HN 1.759 nan 8.290 nan 0.000 0.483 701 F N -2.378 117.660 119.950 0.147 0.000 2.703 701 F HA 0.759 5.286 4.527 0.001 0.000 0.308 701 F C -1.923 173.981 175.800 0.173 0.000 1.126 701 F CA -1.977 56.172 58.000 0.248 0.000 0.959 701 F CB 1.361 40.416 39.000 0.092 0.000 1.297 701 F HN 0.542 nan 8.300 nan 0.000 0.441 702 W N 2.421 123.912 121.300 0.318 0.000 2.666 702 W HA 0.366 5.026 4.660 0.001 0.000 0.334 702 W C 0.351 177.027 176.519 0.261 0.000 1.051 702 W CA -0.198 57.226 57.345 0.131 0.000 1.224 702 W CB 2.739 32.185 29.460 -0.024 0.000 1.405 702 W HN 0.886 nan 8.180 nan 0.000 0.513 703 T N -0.537 114.225 114.554 0.346 0.000 3.015 703 T HA 0.434 4.784 4.350 0.001 0.000 0.250 703 T C 0.553 175.383 174.700 0.216 0.000 1.057 703 T CA 0.716 62.990 62.100 0.291 0.000 1.066 703 T CB 1.015 70.052 68.868 0.282 0.000 0.959 703 T HN 0.569 nan 8.240 nan 0.000 0.488 704 G N 0.391 109.316 108.800 0.208 0.000 2.321 704 G HA2 0.381 4.341 3.960 0.001 0.000 0.296 704 G HA3 0.381 4.341 3.960 0.001 0.000 0.296 704 G C -1.877 173.113 174.900 0.150 0.000 1.287 704 G CA -1.216 43.982 45.100 0.162 0.000 0.846 704 G HN 0.258 nan 8.290 nan 0.000 0.508 705 K N 0.779 121.273 120.400 0.156 0.000 2.484 705 K HA 0.254 4.574 4.320 0.001 0.000 0.280 705 K C 0.336 177.042 176.600 0.176 0.000 1.013 705 K CA 0.722 57.143 56.287 0.222 0.000 1.029 705 K CB 0.274 32.891 32.500 0.196 0.000 0.902 705 K HN 0.605 nan 8.250 nan 0.000 0.481 706 K N 1.288 121.843 120.400 0.259 0.000 3.209 706 K HA -0.257 4.063 4.320 0.001 0.000 0.289 706 K C -0.696 175.910 176.600 0.009 0.000 1.191 706 K CA 0.997 57.402 56.287 0.197 0.000 0.851 706 K CB -0.805 31.781 32.500 0.144 0.000 1.242 706 K HN 0.563 nan 8.250 nan 0.000 0.480 707 R N 0.362 120.842 120.500 -0.033 0.000 2.575 707 R HA 0.321 4.661 4.340 0.001 0.000 0.292 707 R C -1.154 174.916 176.300 -0.382 0.000 1.246 707 R CA -0.780 55.202 56.100 -0.196 0.000 0.973 707 R CB 0.920 31.192 30.300 -0.046 0.000 1.187 707 R HN 0.238 nan 8.270 nan 0.000 0.478 708 Y N -0.766 119.037 120.300 -0.827 0.000 2.713 708 Y HA 0.835 5.386 4.550 0.001 0.000 0.335 708 Y C -1.856 173.345 175.900 -1.165 0.000 1.222 708 Y CA -1.411 55.893 58.100 -1.328 0.000 1.061 708 Y CB 1.224 38.205 38.460 -2.466 0.000 1.314 708 Y HN 0.422 nan 8.280 nan 0.000 0.453 709 A N 1.752 123.868 122.820 -1.173 0.000 2.486 709 A HA 0.855 5.176 4.320 0.001 0.000 0.300 709 A C -2.134 175.121 177.584 -0.548 0.000 1.048 709 A CA -0.837 50.675 52.037 -0.875 0.000 0.696 709 A CB 1.489 19.886 19.000 -1.005 0.000 1.278 709 A HN 0.801 nan 8.150 nan 0.000 0.405 710 L N 1.406 122.452 121.223 -0.296 0.000 2.431 710 L HA 0.420 4.760 4.340 0.001 0.000 0.266 710 L C -0.528 176.290 176.870 -0.086 0.000 0.978 710 L CA -0.902 53.877 54.840 -0.103 0.000 0.822 710 L CB 2.417 44.498 42.059 0.037 0.000 1.310 710 L HN 0.791 nan 8.230 nan 0.000 0.409 711 N N 1.870 120.544 118.700 -0.043 0.000 2.439 711 N HA 0.326 5.067 4.740 0.001 0.000 0.243 711 N C -1.103 174.315 175.510 -0.153 0.000 1.088 711 N CA -0.130 52.843 53.050 -0.129 0.000 0.940 711 N CB 0.875 39.309 38.487 -0.088 0.000 1.180 711 N HN 0.269 nan 8.380 nan 0.000 0.505 712 V N 4.359 124.159 119.914 -0.190 0.000 2.427 712 V HA 0.261 4.382 4.120 0.001 0.000 0.286 712 V C 0.238 176.276 176.094 -0.094 0.000 1.034 712 V CA -0.467 61.823 62.300 -0.018 0.000 0.893 712 V CB 1.263 33.166 31.823 0.133 0.000 0.982 712 V HN 0.792 nan 8.190 nan 0.000 0.452 713 W N 0.784 122.197 121.300 0.187 0.000 2.735 713 W HA 0.274 4.935 4.660 0.001 0.000 0.264 713 W C 0.745 177.237 176.519 -0.044 0.000 1.233 713 W CA 0.017 57.425 57.345 0.105 0.000 1.408 713 W CB 0.634 30.063 29.460 -0.052 0.000 1.038 713 W HN 0.471 nan 8.180 nan 0.000 0.603 714 D N 0.222 120.674 120.400 0.086 0.000 2.896 714 D HA 0.290 4.930 4.640 0.001 0.000 0.241 714 D C -1.452 174.746 176.300 -0.171 0.000 1.188 714 D CA -0.478 53.420 54.000 -0.170 0.000 0.879 714 D CB 1.838 42.593 40.800 -0.075 0.000 1.553 714 D HN -0.177 nan 8.370 nan 0.000 0.515 715 M N 3.426 122.833 119.600 -0.322 0.000 2.035 715 M HA 0.243 4.723 4.480 0.001 0.000 0.286 715 M C -0.675 175.551 176.300 -0.123 0.000 0.907 715 M CA 0.063 55.275 55.300 -0.147 0.000 0.935 715 M CB 0.628 33.211 32.600 -0.028 0.000 1.557 715 M HN 0.469 nan 8.290 nan 0.000 0.426 716 E N 3.131 123.282 120.200 -0.082 0.000 2.476 716 E HA -0.226 4.124 4.350 0.001 0.000 0.251 716 E C 0.789 177.345 176.600 -0.072 0.000 1.130 716 E CA 0.909 57.272 56.400 -0.061 0.000 0.736 716 E CB -1.697 27.982 29.700 -0.036 0.000 1.298 716 E HN 1.342 nan 8.360 nan 0.000 0.400 717 G N -0.925 107.822 108.800 -0.089 0.000 2.217 717 G HA2 -0.313 3.647 3.960 0.001 0.000 0.246 717 G HA3 -0.313 3.647 3.960 0.001 0.000 0.246 717 G C 0.361 175.196 174.900 -0.109 0.000 0.990 717 G CA 0.303 45.355 45.100 -0.080 0.000 0.627 717 G HN 0.280 nan 8.290 nan 0.000 0.522 718 T N 1.547 116.001 114.554 -0.167 0.000 2.727 718 T HA 0.508 4.858 4.350 0.001 0.000 0.295 718 T C 0.375 174.859 174.700 -0.360 0.000 0.915 718 T CA -0.104 61.864 62.100 -0.220 0.000 1.066 718 T CB 1.300 70.037 68.868 -0.219 0.000 0.891 718 T HN 0.457 nan 8.240 nan 0.000 0.516 719 R N 3.347 123.725 120.500 -0.203 0.000 2.216 719 R HA 0.270 4.610 4.340 0.001 0.000 0.332 719 R C -1.051 175.209 176.300 -0.067 0.000 1.056 719 R CA -0.481 55.525 56.100 -0.156 0.000 0.901 719 R CB -0.225 30.048 30.300 -0.044 0.000 1.039 719 R HN 0.454 nan 8.270 nan 0.000 0.456 720 Y N 2.715 123.059 120.300 0.073 0.000 2.346 720 Y HA 0.178 4.728 4.550 0.001 0.000 0.330 720 Y C 1.527 177.484 175.900 0.096 0.000 1.178 720 Y CA 0.050 58.186 58.100 0.060 0.000 1.331 720 Y CB 0.765 39.240 38.460 0.023 0.000 1.253 720 Y HN 0.784 nan 8.280 nan 0.000 0.529 721 A N 1.899 124.876 122.820 0.262 0.000 1.877 721 A HA -0.086 4.234 4.320 0.001 0.000 0.216 721 A C 0.690 178.404 177.584 0.217 0.000 1.186 721 A CA 1.361 53.527 52.037 0.214 0.000 0.620 721 A CB -0.157 18.954 19.000 0.185 0.000 0.822 721 A HN 0.673 nan 8.150 nan 0.000 0.443 722 E N -0.359 119.938 120.200 0.161 0.000 2.238 722 E HA 0.386 4.736 4.350 0.001 0.000 0.267 722 E C -2.788 173.794 176.600 -0.031 0.000 0.887 722 E CA -2.459 53.992 56.400 0.085 0.000 0.769 722 E CB 1.498 31.214 29.700 0.026 0.000 1.187 722 E HN 0.191 nan 8.360 nan 0.000 0.416 723 P HA 0.046 nan 4.420 nan 0.000 0.267 723 P C -0.596 176.453 177.300 -0.418 0.000 1.200 723 P CA 0.103 62.883 63.100 -0.534 0.000 0.772 723 P CB 0.937 31.934 31.700 -1.171 0.000 0.855 724 K N 2.161 122.303 120.400 -0.430 0.000 2.316 724 K HA 0.454 4.774 4.320 0.001 0.000 0.251 724 K C -0.614 175.816 176.600 -0.284 0.000 0.934 724 K CA -0.800 55.231 56.287 -0.426 0.000 0.802 724 K CB 1.097 33.142 32.500 -0.759 0.000 1.171 724 K HN 0.373 nan 8.250 nan 0.000 0.426 725 L N 4.024 125.105 121.223 -0.238 0.000 2.313 725 L HA 0.290 4.630 4.340 0.001 0.000 0.282 725 L C 0.027 176.794 176.870 -0.172 0.000 1.092 725 L CA -0.292 54.431 54.840 -0.195 0.000 0.831 725 L CB 0.792 42.741 42.059 -0.183 0.000 1.159 725 L HN 0.523 nan 8.230 nan 0.000 0.442 726 K N 5.483 125.794 120.400 -0.148 0.000 2.299 726 K HA 0.506 4.827 4.320 0.001 0.000 0.268 726 K C -0.938 175.503 176.600 -0.265 0.000 1.075 726 K CA -0.314 55.891 56.287 -0.137 0.000 0.936 726 K CB 0.462 32.949 32.500 -0.021 0.000 1.228 726 K HN 0.512 nan 8.250 nan 0.000 0.454 727 I N 5.376 125.760 120.570 -0.310 0.000 2.362 727 I HA 0.329 4.499 4.170 0.001 0.000 0.289 727 I C -0.566 175.258 176.117 -0.488 0.000 0.994 727 I CA -0.857 60.172 61.300 -0.451 0.000 1.158 727 I CB 1.613 39.401 38.000 -0.354 0.000 1.315 727 I HN 0.425 nan 8.210 nan 0.000 0.451 728 M N 4.282 123.418 119.600 -0.774 0.000 2.321 728 M HA 0.435 4.916 4.480 0.001 0.000 0.315 728 M C 0.918 176.887 176.300 -0.550 0.000 1.052 728 M CA -0.562 54.328 55.300 -0.684 0.000 0.936 728 M CB 0.939 32.942 32.600 -0.995 0.000 1.639 728 M HN 0.896 nan 8.290 nan 0.000 0.433 729 G N 2.415 111.038 108.800 -0.296 0.000 2.396 729 G HA2 -0.233 3.727 3.960 0.001 0.000 0.242 729 G HA3 -0.233 3.727 3.960 0.001 0.000 0.242 729 G C 0.205 175.029 174.900 -0.126 0.000 1.069 729 G CA 0.049 45.042 45.100 -0.178 0.000 0.633 729 G HN 0.579 nan 8.290 nan 0.000 0.517 730 L N 0.431 121.540 121.223 -0.190 0.000 2.476 730 L HA 0.347 4.687 4.340 0.001 0.000 0.264 730 L C 1.927 178.812 176.870 0.025 0.000 1.224 730 L CA -0.139 54.657 54.840 -0.073 0.000 0.821 730 L CB 0.230 42.108 42.059 -0.301 0.000 1.101 730 L HN 0.104 nan 8.230 nan 0.000 0.488 731 E N 0.102 120.410 120.200 0.180 0.000 2.219 731 E HA -0.198 4.152 4.350 0.001 0.000 0.198 731 E C 1.923 178.579 176.600 0.094 0.000 0.998 731 E CA 1.707 58.188 56.400 0.135 0.000 0.818 731 E CB -0.260 29.534 29.700 0.157 0.000 0.741 731 E HN 0.877 nan 8.360 nan 0.000 0.477 732 T N -1.278 113.330 114.554 0.089 0.000 2.849 732 T HA -0.176 4.174 4.350 0.001 0.000 0.270 732 T C 1.458 176.160 174.700 0.003 0.000 1.066 732 T CA 0.913 63.036 62.100 0.040 0.000 1.130 732 T CB -0.055 68.809 68.868 -0.006 0.000 0.864 732 T HN 0.008 nan 8.240 nan 0.000 0.481 733 Q N 0.721 120.506 119.800 -0.025 0.000 2.392 733 Q HA 0.300 4.641 4.340 0.001 0.000 0.203 733 Q C 0.230 176.221 176.000 -0.015 0.000 0.917 733 Q CA 0.438 56.220 55.803 -0.035 0.000 0.939 733 Q CB 0.256 28.945 28.738 -0.081 0.000 1.063 733 Q HN 0.622 nan 8.270 nan 0.000 0.516 734 K N 0.797 121.195 120.400 -0.003 0.000 2.183 734 K HA 0.196 4.517 4.320 0.001 0.000 0.274 734 K C 1.004 177.600 176.600 -0.007 0.000 1.009 734 K CA 0.008 56.291 56.287 -0.007 0.000 0.888 734 K CB 1.347 33.846 32.500 -0.003 0.000 1.078 734 K HN -0.037 nan 8.250 nan 0.000 0.459 735 S N 0.337 116.022 115.700 -0.026 0.000 2.474 735 S HA -0.147 4.324 4.470 0.001 0.000 0.235 735 S C 1.587 176.155 174.600 -0.053 0.000 0.997 735 S CA 1.286 59.459 58.200 -0.046 0.000 0.949 735 S CB -0.261 62.897 63.200 -0.071 0.000 0.766 735 S HN 0.607 nan 8.310 nan 0.000 0.517 736 S N 0.489 116.162 115.700 -0.044 0.000 2.496 736 S HA 0.075 4.545 4.470 0.001 0.000 0.224 736 S C 0.687 175.282 174.600 -0.007 0.000 0.996 736 S CA 0.003 58.175 58.200 -0.046 0.000 0.927 736 S CB -0.779 62.386 63.200 -0.057 0.000 0.774 736 S HN 0.440 nan 8.310 nan 0.000 0.524 737 T N 5.050 119.613 114.554 0.014 0.000 2.814 737 T HA 0.357 4.707 4.350 0.001 0.000 0.297 737 T C -2.700 172.038 174.700 0.062 0.000 0.956 737 T CA -1.165 60.964 62.100 0.048 0.000 1.123 737 T CB 0.828 69.733 68.868 0.062 0.000 0.902 737 T HN 0.131 nan 8.240 nan 0.000 0.528 738 P HA 0.027 nan 4.420 nan 0.000 0.263 738 P C 1.107 178.462 177.300 0.092 0.000 1.175 738 P CA -0.245 62.906 63.100 0.085 0.000 0.761 738 P CB 0.597 32.368 31.700 0.119 0.000 0.794 739 K N 3.211 123.657 120.400 0.076 0.000 2.032 739 K HA -0.239 4.081 4.320 0.001 0.000 0.218 739 K C 1.815 178.471 176.600 0.094 0.000 1.054 739 K CA 2.480 58.818 56.287 0.085 0.000 0.941 739 K CB -1.026 31.522 32.500 0.081 0.000 0.720 739 K HN 0.540 nan 8.250 nan 0.000 0.449 740 A N 0.448 123.330 122.820 0.103 0.000 2.066 740 A HA -0.061 4.259 4.320 0.001 0.000 0.218 740 A C 2.363 180.046 177.584 0.165 0.000 1.157 740 A CA 1.182 53.305 52.037 0.144 0.000 0.670 740 A CB -0.231 18.865 19.000 0.160 0.000 0.804 740 A HN 0.115 nan 8.150 nan 0.000 0.453 741 V N -0.255 119.767 119.914 0.180 0.000 2.488 741 V HA -0.251 3.870 4.120 0.001 0.000 0.246 741 V C 2.515 178.683 176.094 0.124 0.000 1.046 741 V CA 1.896 64.296 62.300 0.167 0.000 1.053 741 V CB -0.820 31.157 31.823 0.256 0.000 0.679 741 V HN 0.619 nan 8.190 nan 0.000 0.458 742 Q N 0.153 120.019 119.800 0.110 0.000 2.061 742 Q HA -0.282 4.058 4.340 0.001 0.000 0.204 742 Q C 2.343 178.384 176.000 0.067 0.000 0.984 742 Q CA 1.956 57.813 55.803 0.090 0.000 0.846 742 Q CB -0.246 28.537 28.738 0.075 0.000 0.902 742 Q HN 0.541 nan 8.270 nan 0.000 0.421 743 K N 0.309 120.744 120.400 0.057 0.000 2.057 743 K HA -0.145 4.175 4.320 0.001 0.000 0.207 743 K C 2.023 178.633 176.600 0.016 0.000 1.049 743 K CA 1.176 57.487 56.287 0.039 0.000 0.931 743 K CB -0.121 32.416 32.500 0.061 0.000 0.714 743 K HN 0.190 nan 8.250 nan 0.000 0.440 744 A N 0.744 123.537 122.820 -0.045 0.000 1.898 744 A HA -0.084 4.236 4.320 0.001 0.000 0.216 744 A C 2.040 179.695 177.584 0.118 0.000 1.181 744 A CA 1.116 53.067 52.037 -0.143 0.000 0.620 744 A CB -0.484 17.835 19.000 -1.135 0.000 0.819 744 A HN 0.284 nan 8.150 nan 0.000 0.442 745 L N -0.861 120.473 121.223 0.186 0.000 2.156 745 L HA -0.126 4.215 4.340 0.001 0.000 0.208 745 L C 2.563 179.527 176.870 0.156 0.000 1.095 745 L CA 1.613 56.613 54.840 0.267 0.000 0.770 745 L CB -0.299 41.951 42.059 0.319 0.000 0.914 745 L HN 0.433 nan 8.230 nan 0.000 0.439 746 K N 0.371 120.809 120.400 0.062 0.000 2.025 746 K HA -0.253 4.067 4.320 0.001 0.000 0.207 746 K C 2.091 178.654 176.600 -0.062 0.000 1.049 746 K CA 1.620 57.898 56.287 -0.014 0.000 0.933 746 K CB 0.083 32.563 32.500 -0.033 0.000 0.714 746 K HN 0.041 nan 8.250 nan 0.000 0.438 747 E N 0.421 120.549 120.200 -0.120 0.000 2.110 747 E HA -0.158 4.192 4.350 0.001 0.000 0.193 747 E C 1.750 178.192 176.600 -0.263 0.000 0.988 747 E CA 1.457 57.683 56.400 -0.291 0.000 0.804 747 E CB -0.384 28.967 29.700 -0.582 0.000 0.745 747 E HN 0.374 nan 8.360 nan 0.000 0.458 748 C N -0.117 119.135 119.300 -0.079 0.000 2.413 748 C HA -0.077 4.384 4.460 0.001 0.000 0.276 748 C C 2.598 177.634 174.990 0.077 0.000 1.236 748 C CA 0.800 59.873 59.018 0.092 0.000 1.735 748 C CB -1.003 26.883 27.740 0.243 0.000 2.031 748 C HN 0.487 nan 8.230 nan 0.000 0.474 749 I N 0.149 120.766 120.570 0.078 0.000 2.179 749 I HA -0.222 3.948 4.170 0.001 0.000 0.242 749 I C 2.867 178.999 176.117 0.025 0.000 1.088 749 I CA 1.487 62.834 61.300 0.078 0.000 1.357 749 I CB -0.591 37.411 38.000 0.003 0.000 1.051 749 I HN 0.319 nan 8.210 nan 0.000 0.409 750 R N 1.057 121.534 120.500 -0.038 0.000 2.096 750 R HA -0.216 4.124 4.340 0.001 0.000 0.240 750 R C 2.473 178.758 176.300 -0.027 0.000 1.139 750 R CA 1.813 57.877 56.100 -0.058 0.000 0.952 750 R CB -0.159 30.083 30.300 -0.098 0.000 0.854 750 R HN 0.291 nan 8.270 nan 0.000 0.436 751 R N -0.351 120.133 120.500 -0.027 0.000 2.096 751 R HA -0.080 4.260 4.340 0.001 0.000 0.235 751 R C 2.417 178.742 176.300 0.040 0.000 1.127 751 R CA 1.858 57.962 56.100 0.008 0.000 0.968 751 R CB -0.205 30.103 30.300 0.013 0.000 0.861 751 R HN 0.293 nan 8.270 nan 0.000 0.440 752 M N 0.222 119.854 119.600 0.053 0.000 2.086 752 M HA -0.172 4.309 4.480 0.001 0.000 0.261 752 M C 2.121 178.465 176.300 0.073 0.000 1.067 752 M CA 1.711 57.048 55.300 0.061 0.000 1.116 752 M CB -0.216 32.425 32.600 0.068 0.000 1.348 752 M HN 0.135 nan 8.290 nan 0.000 0.407 753 L N -0.844 120.427 121.223 0.081 0.000 2.179 753 L HA -0.157 4.184 4.340 0.001 0.000 0.208 753 L C 2.204 179.115 176.870 0.068 0.000 1.096 753 L CA 1.227 56.113 54.840 0.077 0.000 0.779 753 L CB -0.553 41.533 42.059 0.045 0.000 0.922 753 L HN 0.439 nan 8.230 nan 0.000 0.443 754 Q N -0.995 118.838 119.800 0.055 0.000 2.394 754 Q HA 0.010 4.350 4.340 0.001 0.000 0.218 754 Q C 1.411 177.463 176.000 0.087 0.000 0.907 754 Q CA 0.448 56.299 55.803 0.079 0.000 0.919 754 Q CB 0.664 29.428 28.738 0.044 0.000 1.051 754 Q HN 0.480 nan 8.270 nan 0.000 0.538 755 E N -0.419 119.819 120.200 0.064 0.000 2.367 755 E HA 0.264 4.614 4.350 0.001 0.000 0.204 755 E C 0.380 177.013 176.600 0.056 0.000 0.840 755 E CA 0.368 56.806 56.400 0.062 0.000 1.051 755 E CB 1.442 31.174 29.700 0.054 0.000 1.051 755 E HN 0.230 nan 8.360 nan 0.000 0.509 756 G N 1.240 110.071 108.800 0.051 0.000 2.371 756 G HA2 -0.210 3.751 3.960 0.001 0.000 0.663 756 G HA3 -0.210 3.751 3.960 0.001 0.000 0.663 756 G C 0.080 175.003 174.900 0.039 0.000 1.311 756 G CA -0.115 45.009 45.100 0.040 0.000 0.985 756 G HN 0.108 nan 8.290 nan 0.000 0.566 757 E N -0.354 119.861 120.200 0.025 0.000 2.070 757 E HA -0.223 4.128 4.350 0.001 0.000 0.197 757 E C 2.014 178.637 176.600 0.039 0.000 1.004 757 E CA 2.078 58.490 56.400 0.020 0.000 0.805 757 E CB -0.074 29.624 29.700 -0.003 0.000 0.744 757 E HN 0.588 nan 8.360 nan 0.000 0.451 758 E N -0.045 120.178 120.200 0.037 0.000 2.058 758 E HA -0.209 4.142 4.350 0.001 0.000 0.194 758 E C 2.071 178.719 176.600 0.081 0.000 0.997 758 E CA 1.481 57.910 56.400 0.049 0.000 0.801 758 E CB -0.269 29.452 29.700 0.035 0.000 0.746 758 E HN 0.168 nan 8.360 nan 0.000 0.450 759 S N 0.024 115.773 115.700 0.082 0.000 2.383 759 S HA -0.151 4.319 4.470 0.001 0.000 0.229 759 S C 1.930 176.623 174.600 0.154 0.000 1.030 759 S CA 1.114 59.378 58.200 0.106 0.000 1.002 759 S CB -0.423 62.827 63.200 0.082 0.000 0.829 759 S HN 0.448 nan 8.310 nan 0.000 0.467 760 L N 1.083 122.391 121.223 0.141 0.000 2.046 760 L HA -0.144 4.196 4.340 0.001 0.000 0.208 760 L C 2.329 179.361 176.870 0.271 0.000 1.077 760 L CA 2.093 57.049 54.840 0.192 0.000 0.747 760 L CB -1.244 40.892 42.059 0.128 0.000 0.896 760 L HN 0.496 nan 8.230 nan 0.000 0.432 761 Q N -0.303 119.619 119.800 0.202 0.000 2.084 761 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 761 Q C 2.024 178.191 176.000 0.279 0.000 0.978 761 Q CA 1.698 57.639 55.803 0.231 0.000 0.844 761 Q CB -0.084 28.732 28.738 0.130 0.000 0.898 761 Q HN 0.555 nan 8.270 nan 0.000 0.426 762 E N -0.061 120.270 120.200 0.219 0.000 2.048 762 E HA -0.268 4.083 4.350 0.001 0.000 0.202 762 E C 1.761 178.510 176.600 0.248 0.000 1.021 762 E CA 1.592 58.113 56.400 0.202 0.000 0.825 762 E CB -0.201 29.603 29.700 0.172 0.000 0.756 762 E HN 0.387 nan 8.360 nan 0.000 0.454 763 Y N -0.149 120.265 120.300 0.190 0.000 2.200 763 Y HA -0.251 4.300 4.550 0.001 0.000 0.290 763 Y C 2.092 178.157 175.900 0.275 0.000 1.137 763 Y CA 1.630 59.850 58.100 0.199 0.000 1.163 763 Y CB -0.267 38.300 38.460 0.178 0.000 0.988 763 Y HN 0.089 nan 8.280 nan 0.000 0.518 764 F N 1.130 121.235 119.950 0.258 0.000 2.095 764 F HA -0.219 4.309 4.527 0.001 0.000 0.298 764 F C 2.323 178.229 175.800 0.177 0.000 1.104 764 F CA 2.132 60.301 58.000 0.283 0.000 1.232 764 F CB -0.488 38.713 39.000 0.335 0.000 0.987 764 F HN -0.102 nan 8.300 nan 0.000 0.475 765 K N -0.156 120.347 120.400 0.173 0.000 2.032 765 K HA -0.261 4.060 4.320 0.001 0.000 0.209 765 K C 2.130 178.662 176.600 -0.113 0.000 1.048 765 K CA 1.889 58.199 56.287 0.038 0.000 0.927 765 K CB -0.251 32.328 32.500 0.132 0.000 0.712 765 K HN 0.215 nan 8.250 nan 0.000 0.441 766 E N -0.017 120.115 120.200 -0.112 0.000 2.072 766 E HA -0.150 4.201 4.350 0.001 0.000 0.191 766 E C 1.625 178.077 176.600 -0.247 0.000 0.985 766 E CA 1.101 57.404 56.400 -0.161 0.000 0.801 766 E CB -0.212 29.404 29.700 -0.140 0.000 0.750 766 E HN 0.284 nan 8.360 nan 0.000 0.452 767 F N 1.148 120.788 119.950 -0.516 0.000 2.134 767 F HA -0.136 4.392 4.527 0.000 0.000 0.299 767 F C 2.248 177.800 175.800 -0.412 0.000 1.097 767 F CA 1.901 59.589 58.000 -0.520 0.000 1.264 767 F CB -0.043 38.547 39.000 -0.685 0.000 1.001 767 F HN 0.089 nan 8.300 nan 0.000 0.479 768 E N 0.369 120.286 120.200 -0.472 0.000 2.085 768 E HA -0.263 4.088 4.350 0.001 0.000 0.194 768 E C 2.129 178.542 176.600 -0.311 0.000 0.994 768 E CA 1.524 57.647 56.400 -0.463 0.000 0.801 768 E CB -0.131 29.244 29.700 -0.541 0.000 0.743 768 E HN 0.389 nan 8.360 nan 0.000 0.453 769 K N -0.278 119.968 120.400 -0.256 0.000 2.211 769 K HA -0.093 4.228 4.320 0.001 0.000 0.203 769 K C 1.758 178.235 176.600 -0.205 0.000 1.050 769 K CA 0.976 57.152 56.287 -0.184 0.000 0.945 769 K CB 0.189 32.608 32.500 -0.135 0.000 0.732 769 K HN 0.090 nan 8.250 nan 0.000 0.451 770 E N -0.354 119.678 120.200 -0.279 0.000 2.415 770 E HA -0.021 4.330 4.350 0.001 0.000 0.197 770 E C 1.385 177.772 176.600 -0.354 0.000 1.007 770 E CA 0.000 56.232 56.400 -0.280 0.000 0.890 770 E CB -0.031 29.520 29.700 -0.248 0.000 0.891 770 E HN 0.211 nan 8.360 nan 0.000 0.496 771 F N 2.477 122.035 119.950 -0.653 0.000 2.063 771 F HA -0.297 4.230 4.527 0.001 0.000 0.298 771 F C 2.107 177.714 175.800 -0.322 0.000 1.105 771 F CA 1.800 59.405 58.000 -0.658 0.000 1.215 771 F CB 0.160 38.781 39.000 -0.632 0.000 0.972 771 F HN -0.086 nan 8.300 nan 0.000 0.483 772 R N -0.330 119.973 120.500 -0.329 0.000 2.328 772 R HA -0.112 4.229 4.340 0.001 0.000 0.207 772 R C 1.571 177.612 176.300 -0.433 0.000 1.056 772 R CA 0.712 56.461 56.100 -0.585 0.000 1.016 772 R CB -0.152 29.779 30.300 -0.615 0.000 0.872 772 R HN 0.415 nan 8.270 nan 0.000 0.471 773 Q N -0.087 119.528 119.800 -0.308 0.000 2.384 773 Q HA 0.144 4.485 4.340 0.001 0.000 0.207 773 Q C 0.313 176.218 176.000 -0.158 0.000 0.904 773 Q CA 0.284 55.966 55.803 -0.202 0.000 0.933 773 Q CB 0.462 29.098 28.738 -0.169 0.000 1.077 773 Q HN 0.299 nan 8.270 nan 0.000 0.522 774 L N 1.837 122.930 121.223 -0.217 0.000 2.426 774 L HA 0.120 4.461 4.340 0.001 0.000 0.271 774 L C 1.009 177.830 176.870 -0.081 0.000 1.169 774 L CA -0.277 54.465 54.840 -0.163 0.000 0.836 774 L CB 0.252 42.163 42.059 -0.247 0.000 1.112 774 L HN 0.109 nan 8.230 nan 0.000 0.465 775 N N 1.373 120.049 118.700 -0.040 0.000 2.407 775 N HA -0.130 4.610 4.740 0.001 0.000 0.250 775 N C 0.912 176.425 175.510 0.005 0.000 1.236 775 N CA 0.162 53.222 53.050 0.018 0.000 0.879 775 N CB 0.671 39.150 38.487 -0.014 0.000 1.088 775 N HN 0.619 nan 8.380 nan 0.000 0.450 776 Y N 3.051 123.312 120.300 -0.066 0.000 2.274 776 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 776 Y C 1.930 177.777 175.900 -0.088 0.000 1.145 776 Y CA 0.732 58.784 58.100 -0.080 0.000 1.203 776 Y CB -0.185 38.236 38.460 -0.065 0.000 0.984 776 Y HN 0.491 nan 8.280 nan 0.000 0.533 777 I N 1.269 121.364 120.570 -0.792 0.000 2.315 777 I HA -0.264 3.906 4.170 0.001 0.000 0.248 777 I C 2.572 178.411 176.117 -0.463 0.000 1.117 777 I CA 1.649 62.471 61.300 -0.797 0.000 1.404 777 I CB -0.399 37.151 38.000 -0.750 0.000 1.071 777 I HN 0.494 nan 8.210 nan 0.000 0.419 778 S N 0.966 116.514 115.700 -0.254 0.000 2.481 778 S HA -0.051 4.420 4.470 0.001 0.000 0.231 778 S C 1.654 176.214 174.600 -0.066 0.000 0.996 778 S CA 0.645 58.775 58.200 -0.117 0.000 0.942 778 S CB -0.571 62.594 63.200 -0.057 0.000 0.768 778 S HN 0.659 nan 8.310 nan 0.000 0.520 779 I N -1.677 118.836 120.570 -0.095 0.000 4.082 779 I HA 0.576 4.747 4.170 0.001 0.000 0.337 779 I C 0.681 176.806 176.117 0.013 0.000 1.352 779 I CA -0.760 60.532 61.300 -0.013 0.000 1.097 779 I CB -0.050 37.883 38.000 -0.113 0.000 1.048 779 I HN 0.198 nan 8.210 nan 0.000 0.393 780 A N 1.415 124.187 122.820 -0.079 0.000 2.388 780 A HA 0.610 4.931 4.320 0.001 0.000 0.257 780 A C 0.458 178.047 177.584 0.008 0.000 1.095 780 A CA -0.080 51.924 52.037 -0.055 0.000 0.791 780 A CB 0.344 19.195 19.000 -0.249 0.000 1.029 780 A HN 0.399 nan 8.150 nan 0.000 0.489 781 S N -0.200 115.532 115.700 0.053 0.000 2.632 781 S HA 0.545 5.015 4.470 0.001 0.000 0.267 781 S C -0.091 174.526 174.600 0.029 0.000 1.276 781 S CA -0.544 57.686 58.200 0.052 0.000 0.998 781 S CB 1.248 64.485 63.200 0.063 0.000 0.953 781 S HN 0.614 nan 8.310 nan 0.000 0.547 782 V N 1.134 121.034 119.914 -0.024 0.000 2.680 782 V HA 0.821 4.941 4.120 0.001 0.000 0.309 782 V C -0.186 175.814 176.094 -0.157 0.000 1.052 782 V CA -0.548 61.678 62.300 -0.125 0.000 0.908 782 V CB 1.932 33.653 31.823 -0.171 0.000 1.001 782 V HN 0.830 nan 8.190 nan 0.000 0.431 783 S N 1.726 117.295 115.700 -0.219 0.000 2.533 783 S HA 0.543 5.014 4.470 0.001 0.000 0.271 783 S C -0.515 173.922 174.600 -0.273 0.000 1.143 783 S CA -0.445 57.581 58.200 -0.290 0.000 0.891 783 S CB 1.999 64.921 63.200 -0.463 0.000 1.105 783 S HN 0.745 nan 8.310 nan 0.000 0.468 784 S N 2.250 117.800 115.700 -0.250 0.000 2.568 784 S HA 0.486 4.957 4.470 0.001 0.000 0.282 784 S C 0.183 174.728 174.600 -0.090 0.000 1.338 784 S CA -0.025 58.079 58.200 -0.160 0.000 1.045 784 S CB 0.882 64.010 63.200 -0.120 0.000 0.873 784 S HN 0.977 nan 8.310 nan 0.000 0.516 785 A N 3.684 126.493 122.820 -0.019 0.000 2.786 785 A HA 0.448 4.768 4.320 0.001 0.000 0.346 785 A C -0.135 177.481 177.584 0.054 0.000 1.265 785 A CA -0.875 51.207 52.037 0.076 0.000 0.858 785 A CB -0.320 18.686 19.000 0.010 0.000 1.118 785 A HN 0.833 nan 8.150 nan 0.000 0.482 786 N N 1.115 119.875 118.700 0.100 0.000 2.495 786 N HA 0.322 5.062 4.740 0.001 0.000 0.280 786 N C 0.402 175.987 175.510 0.124 0.000 1.168 786 N CA -0.753 52.346 53.050 0.082 0.000 0.978 786 N CB 0.436 38.965 38.487 0.071 0.000 1.191 786 N HN 0.546 nan 8.380 nan 0.000 0.497 787 N N 0.150 118.917 118.700 0.112 0.000 2.725 787 N HA -0.200 4.540 4.740 0.001 0.000 0.249 787 N C 0.275 175.908 175.510 0.204 0.000 1.103 787 N CA 0.107 53.242 53.050 0.141 0.000 0.707 787 N CB -0.657 37.929 38.487 0.165 0.000 1.043 787 N HN 0.545 nan 8.380 nan 0.000 0.553 788 I N 0.362 121.039 120.570 0.178 0.000 2.127 788 I HA -0.292 3.878 4.170 0.001 0.000 0.241 788 I C 2.482 178.765 176.117 0.277 0.000 1.075 788 I CA 1.810 63.228 61.300 0.197 0.000 1.334 788 I CB -0.369 37.681 38.000 0.083 0.000 1.040 788 I HN 0.328 nan 8.210 nan 0.000 0.405 789 A N 0.770 123.784 122.820 0.323 0.000 1.884 789 A HA -0.305 4.016 4.320 0.001 0.000 0.219 789 A C 2.383 180.003 177.584 0.059 0.000 1.197 789 A CA 2.003 54.156 52.037 0.193 0.000 0.637 789 A CB -0.680 18.349 19.000 0.050 0.000 0.827 789 A HN 0.271 nan 8.150 nan 0.000 0.450 790 K N -1.131 119.266 120.400 -0.006 0.000 2.127 790 K HA -0.224 4.096 4.320 0.001 0.000 0.212 790 K C 1.496 177.963 176.600 -0.221 0.000 1.050 790 K CA 2.269 58.451 56.287 -0.176 0.000 0.929 790 K CB -0.433 31.869 32.500 -0.330 0.000 0.715 790 K HN 0.717 nan 8.250 nan 0.000 0.457 791 Y N -0.025 120.298 120.300 0.038 0.000 2.457 791 Y HA 0.088 4.638 4.550 0.001 0.000 0.263 791 Y C 0.538 176.466 175.900 0.046 0.000 1.164 791 Y CA -0.500 57.619 58.100 0.031 0.000 1.274 791 Y CB 0.434 38.898 38.460 0.008 0.000 1.097 791 Y HN -0.025 nan 8.280 nan 0.000 0.523 792 D N 0.156 120.661 120.400 0.174 0.000 2.256 792 D HA 0.116 4.757 4.640 0.001 0.000 0.250 792 D C 1.088 177.447 176.300 0.098 0.000 1.093 792 D CA 0.088 54.175 54.000 0.145 0.000 0.882 792 D CB 2.118 43.027 40.800 0.181 0.000 1.185 792 D HN 0.093 nan 8.370 nan 0.000 0.437 793 V N 2.007 121.989 119.914 0.114 0.000 2.436 793 V HA 0.478 4.599 4.120 0.001 0.000 0.240 793 V C 0.936 177.078 176.094 0.080 0.000 1.040 793 V CA 1.332 63.693 62.300 0.103 0.000 1.052 793 V CB -0.546 31.361 31.823 0.140 0.000 0.707 793 V HN 0.516 nan 8.190 nan 0.000 0.469 794 G N -0.944 107.914 108.800 0.096 0.000 3.135 794 G HA2 0.528 4.488 3.960 0.001 0.000 0.278 794 G HA3 0.528 4.488 3.960 0.001 0.000 0.278 794 G C -0.016 174.975 174.900 0.152 0.000 1.302 794 G CA -0.364 44.806 45.100 0.116 0.000 0.880 794 G HN 0.773 nan 8.290 nan 0.000 0.574 795 G N -0.227 108.542 108.800 -0.053 0.000 3.939 795 G HA2 0.508 4.468 3.960 0.001 0.000 0.268 795 G HA3 0.508 4.468 3.960 0.001 0.000 0.268 795 G C -0.866 173.812 174.900 -0.370 0.000 1.172 795 G CA -0.195 44.804 45.100 -0.168 0.000 1.614 795 G HN 0.162 nan 8.290 nan 0.000 0.639 796 F N -0.324 119.652 119.950 0.043 0.000 2.556 796 F HA 0.487 5.014 4.527 0.001 0.000 0.327 796 F C -2.150 173.676 175.800 0.043 0.000 1.059 796 F CA -2.816 55.204 58.000 0.033 0.000 0.953 796 F CB 2.274 41.288 39.000 0.024 0.000 1.227 796 F HN -0.083 nan 8.300 nan 0.000 0.478 797 P HA 0.141 nan 4.420 nan 0.000 0.267 797 P C 0.004 177.401 177.300 0.162 0.000 1.209 797 P CA 0.028 63.218 63.100 0.149 0.000 0.763 797 P CB 0.301 32.060 31.700 0.098 0.000 0.816 798 G N 4.724 113.638 108.800 0.190 0.000 2.588 798 G HA2 0.369 4.330 3.960 0.001 0.000 0.278 798 G HA3 0.369 4.330 3.960 0.001 0.000 0.278 798 G C -2.480 172.535 174.900 0.193 0.000 1.307 798 G CA -1.231 43.979 45.100 0.184 0.000 1.016 798 G HN 0.295 nan 8.290 nan 0.000 0.503 799 P HA 0.248 nan 4.420 nan 0.000 0.271 799 P C -0.144 177.290 177.300 0.224 0.000 1.216 799 P CA -0.027 63.159 63.100 0.144 0.000 0.776 799 P CB 0.657 32.414 31.700 0.096 0.000 0.881 800 K N -1.222 119.268 120.400 0.151 0.000 3.209 800 K HA -0.198 4.122 4.320 0.001 0.000 0.289 800 K C 0.025 176.628 176.600 0.005 0.000 1.191 800 K CA 0.190 56.556 56.287 0.131 0.000 0.851 800 K CB -2.051 30.563 32.500 0.189 0.000 1.242 800 K HN 0.530 nan 8.250 nan 0.000 0.480 801 C N 1.914 121.179 119.300 -0.057 0.000 2.592 801 C HA 0.126 4.587 4.460 0.001 0.000 0.408 801 C C -1.527 173.228 174.990 -0.392 0.000 1.436 801 C CA -1.476 57.293 59.018 -0.415 0.000 1.595 801 C CB -0.486 27.172 27.740 -0.137 0.000 2.487 801 C HN 0.195 nan 8.230 nan 0.000 0.610 802 P HA 0.077 nan 4.420 nan 0.000 0.269 802 P C 0.581 177.750 177.300 -0.219 0.000 1.215 802 P CA -0.081 62.821 63.100 -0.330 0.000 0.780 802 P CB 0.256 31.678 31.700 -0.462 0.000 0.898 803 F N 2.613 122.474 119.950 -0.148 0.000 2.065 803 F HA -0.305 4.223 4.527 0.002 0.000 0.298 803 F C 2.511 178.268 175.800 -0.072 0.000 1.112 803 F CA 2.120 60.081 58.000 -0.064 0.000 1.212 803 F CB -0.473 38.538 39.000 0.018 0.000 0.975 803 F HN 0.505 nan 8.300 nan 0.000 0.476 804 H N -0.618 118.500 119.070 0.079 0.000 2.423 804 H HA -0.098 4.459 4.556 0.001 0.000 0.297 804 H C 2.190 177.455 175.328 -0.105 0.000 1.075 804 H CA 1.681 57.714 56.048 -0.026 0.000 1.342 804 H CB -0.949 28.819 29.762 0.010 0.000 1.395 804 H HN 0.268 nan 8.280 nan 0.000 0.530 805 I N 1.490 121.694 120.570 -0.609 0.000 2.439 805 I HA -0.145 4.026 4.170 0.001 0.000 0.251 805 I C 2.855 178.832 176.117 -0.235 0.000 1.139 805 I CA 0.739 61.806 61.300 -0.389 0.000 1.438 805 I CB -0.888 36.833 38.000 -0.465 0.000 1.085 805 I HN 0.233 nan 8.210 nan 0.000 0.427 806 R N 1.442 121.784 120.500 -0.264 0.000 2.083 806 R HA -0.147 4.193 4.340 0.001 0.000 0.237 806 R C 2.390 178.575 176.300 -0.192 0.000 1.137 806 R CA 1.883 57.861 56.100 -0.202 0.000 0.951 806 R CB -0.573 29.587 30.300 -0.233 0.000 0.851 806 R HN 0.339 nan 8.270 nan 0.000 0.434 807 G N 1.051 109.695 108.800 -0.260 0.000 2.442 807 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 807 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 807 G C 1.479 176.341 174.900 -0.063 0.000 1.141 807 G CA 0.990 45.977 45.100 -0.188 0.000 0.763 807 G HN 0.316 nan 8.290 nan 0.000 0.554 808 I N 0.348 120.882 120.570 -0.059 0.000 2.226 808 I HA -0.122 4.048 4.170 0.001 0.000 0.245 808 I C 2.657 178.798 176.117 0.040 0.000 1.100 808 I CA 0.690 61.993 61.300 0.006 0.000 1.374 808 I CB -0.185 37.792 38.000 -0.037 0.000 1.057 808 I HN 0.119 nan 8.210 nan 0.000 0.413 809 L N -0.097 121.112 121.223 -0.023 0.000 2.131 809 L HA -0.186 4.155 4.340 0.001 0.000 0.210 809 L C 2.577 179.405 176.870 -0.070 0.000 1.092 809 L CA 1.388 56.202 54.840 -0.044 0.000 0.759 809 L CB -1.018 41.010 42.059 -0.050 0.000 0.903 809 L HN 0.279 nan 8.230 nan 0.000 0.435 810 T N -1.252 113.274 114.554 -0.048 0.000 2.777 810 T HA -0.240 4.110 4.350 0.001 0.000 0.266 810 T C 1.710 176.421 174.700 0.018 0.000 1.040 810 T CA 1.354 63.433 62.100 -0.034 0.000 1.141 810 T CB -0.366 68.474 68.868 -0.047 0.000 0.868 810 T HN 0.312 nan 8.240 nan 0.000 0.444 811 Y N 2.732 122.988 120.300 -0.074 0.000 2.181 811 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 811 Y C 2.115 178.002 175.900 -0.022 0.000 1.146 811 Y CA 1.205 59.282 58.100 -0.038 0.000 1.164 811 Y CB -0.522 37.939 38.460 0.001 0.000 0.982 811 Y HN 0.083 nan 8.280 nan 0.000 0.515 812 N N 0.286 118.962 118.700 -0.039 0.000 2.289 812 N HA -0.124 4.616 4.740 0.001 0.000 0.184 812 N C 1.759 177.176 175.510 -0.154 0.000 1.016 812 N CA 1.294 54.269 53.050 -0.124 0.000 0.872 812 N CB -0.249 38.213 38.487 -0.042 0.000 0.973 812 N HN 0.460 nan 8.380 nan 0.000 0.433 813 R N 0.032 120.445 120.500 -0.145 0.000 2.100 813 R HA 0.180 4.521 4.340 0.001 0.000 0.220 813 R C 1.944 178.183 176.300 -0.102 0.000 1.091 813 R CA 0.939 56.953 56.100 -0.144 0.000 0.986 813 R CB -0.135 30.049 30.300 -0.194 0.000 0.888 813 R HN 0.131 nan 8.270 nan 0.000 0.444 814 A N 1.662 124.436 122.820 -0.076 0.000 2.066 814 A HA -0.061 4.260 4.320 0.001 0.000 0.218 814 A C 1.864 179.378 177.584 -0.117 0.000 1.157 814 A CA 0.843 52.870 52.037 -0.016 0.000 0.670 814 A CB -0.362 18.751 19.000 0.188 0.000 0.804 814 A HN 0.439 nan 8.150 nan 0.000 0.453 815 I N -4.659 115.760 120.570 -0.252 0.000 3.889 815 I HA 0.320 4.490 4.170 0.001 0.000 0.332 815 I C -0.010 176.016 176.117 -0.152 0.000 1.493 815 I CA -0.607 60.542 61.300 -0.251 0.000 1.158 815 I CB 0.206 37.930 38.000 -0.461 0.000 1.117 815 I HN -0.256 nan 8.210 nan 0.000 0.411 816 K N 2.574 122.908 120.400 -0.111 0.000 2.382 816 K HA 0.339 4.659 4.320 0.001 0.000 0.275 816 K C 1.072 177.646 176.600 -0.044 0.000 1.009 816 K CA 1.351 57.599 56.287 -0.066 0.000 0.970 816 K CB 0.915 33.383 32.500 -0.054 0.000 0.934 816 K HN 0.587 nan 8.250 nan 0.000 0.479 817 G N 4.065 112.851 108.800 -0.024 0.000 4.269 817 G HA2 -0.317 3.644 3.960 0.001 0.000 0.290 817 G HA3 -0.317 3.644 3.960 0.001 0.000 0.290 817 G C -0.056 174.839 174.900 -0.008 0.000 1.570 817 G CA 0.013 45.107 45.100 -0.011 0.000 1.072 817 G HN 0.707 nan 8.290 nan 0.000 0.681 818 N N 1.647 120.339 118.700 -0.014 0.000 2.411 818 N HA 0.345 5.086 4.740 0.001 0.000 0.261 818 N C 0.888 176.396 175.510 -0.003 0.000 1.248 818 N CA 0.549 53.594 53.050 -0.007 0.000 0.885 818 N CB 0.536 39.016 38.487 -0.011 0.000 1.062 818 N HN 0.506 nan 8.380 nan 0.000 0.471 819 I N -0.504 120.073 120.570 0.012 0.000 3.976 819 I HA 0.169 4.339 4.170 0.001 0.000 0.337 819 I C 0.394 176.533 176.117 0.037 0.000 1.359 819 I CA 0.081 61.397 61.300 0.027 0.000 1.098 819 I CB 0.227 38.249 38.000 0.036 0.000 1.027 819 I HN 0.350 nan 8.210 nan 0.000 0.394 820 D N 2.214 122.633 120.400 0.031 0.000 2.348 820 D HA 0.107 4.747 4.640 0.001 0.000 0.216 820 D C 1.201 177.543 176.300 0.069 0.000 0.970 820 D CA 0.569 54.596 54.000 0.045 0.000 0.889 820 D CB 0.130 40.952 40.800 0.036 0.000 0.912 820 D HN 0.427 nan 8.370 nan 0.000 0.524 821 A N 1.778 124.635 122.820 0.061 0.000 2.354 821 A HA 0.389 4.709 4.320 0.001 0.000 0.281 821 A C -2.161 175.502 177.584 0.133 0.000 1.174 821 A CA -1.194 50.898 52.037 0.092 0.000 0.828 821 A CB 0.179 19.185 19.000 0.011 0.000 1.099 821 A HN -0.045 nan 8.150 nan 0.000 0.516 822 P HA 0.151 nan 4.420 nan 0.000 0.276 822 P C -0.675 176.742 177.300 0.195 0.000 1.230 822 P CA -0.156 63.045 63.100 0.169 0.000 0.776 822 P CB 0.756 32.548 31.700 0.154 0.000 0.888 823 Q N 1.084 120.940 119.800 0.093 0.000 2.312 823 Q HA 0.277 4.617 4.340 0.001 0.000 0.236 823 Q C -0.081 175.923 176.000 0.007 0.000 0.965 823 Q CA -0.732 55.115 55.803 0.073 0.000 0.894 823 Q CB 0.797 29.533 28.738 -0.003 0.000 1.225 823 Q HN 0.248 nan 8.270 nan 0.000 0.478 824 V N 1.808 121.724 119.914 0.003 0.000 2.488 824 V HA 0.118 4.238 4.120 0.001 0.000 0.277 824 V C 0.104 176.105 176.094 -0.155 0.000 1.046 824 V CA -0.394 61.851 62.300 -0.091 0.000 0.986 824 V CB 1.261 33.033 31.823 -0.085 0.000 0.989 824 V HN 0.432 nan 8.190 nan 0.000 0.475 825 V N 4.391 124.208 119.914 -0.162 0.000 2.383 825 V HA 0.232 4.353 4.120 0.001 0.000 0.275 825 V C 0.351 176.368 176.094 -0.129 0.000 1.036 825 V CA -0.738 61.467 62.300 -0.159 0.000 0.889 825 V CB 1.336 33.055 31.823 -0.173 0.000 0.985 825 V HN 1.016 nan 8.190 nan 0.000 0.459 826 E N 4.380 124.515 120.200 -0.109 0.000 2.652 826 E HA 0.219 4.569 4.350 0.001 0.000 0.255 826 E C 1.253 177.816 176.600 -0.062 0.000 0.952 826 E CA 1.417 57.780 56.400 -0.062 0.000 0.947 826 E CB -0.054 29.641 29.700 -0.009 0.000 0.912 826 E HN 1.049 nan 8.360 nan 0.000 0.489 827 G N 3.544 112.312 108.800 -0.054 0.000 2.225 827 G HA2 -0.254 3.707 3.960 0.001 0.000 0.254 827 G HA3 -0.254 3.707 3.960 0.001 0.000 0.254 827 G C 0.105 174.946 174.900 -0.098 0.000 0.988 827 G CA 0.291 45.350 45.100 -0.069 0.000 0.625 827 G HN 0.569 nan 8.290 nan 0.000 0.527 828 E N 0.617 120.752 120.200 -0.108 0.000 2.280 828 E HA 0.449 4.800 4.350 0.001 0.000 0.261 828 E C 0.257 176.773 176.600 -0.141 0.000 1.088 828 E CA -0.486 55.839 56.400 -0.124 0.000 0.915 828 E CB 0.818 30.437 29.700 -0.134 0.000 1.141 828 E HN 0.385 nan 8.360 nan 0.000 0.433 829 K N 0.596 120.895 120.400 -0.168 0.000 2.144 829 K HA 0.391 4.712 4.320 0.001 0.000 0.270 829 K C -0.116 176.278 176.600 -0.344 0.000 1.005 829 K CA -0.565 55.579 56.287 -0.238 0.000 0.932 829 K CB 1.263 33.611 32.500 -0.253 0.000 1.021 829 K HN 0.285 nan 8.250 nan 0.000 0.462 830 V N -0.830 118.858 119.914 -0.375 0.000 2.823 830 V HA 0.411 4.531 4.120 0.001 0.000 0.312 830 V C -0.949 174.791 176.094 -0.589 0.000 1.072 830 V CA -1.233 60.778 62.300 -0.482 0.000 0.937 830 V CB 0.825 32.463 31.823 -0.308 0.000 1.013 830 V HN 0.505 nan 8.190 nan 0.000 0.430 831 Y N 1.608 121.424 120.300 -0.806 0.000 2.336 831 Y HA 0.646 5.197 4.550 0.001 0.000 0.331 831 Y C 0.417 175.919 175.900 -0.664 0.000 1.211 831 Y CA -0.539 57.003 58.100 -0.931 0.000 1.346 831 Y CB 1.435 38.830 38.460 -1.775 0.000 1.271 831 Y HN 0.545 nan 8.280 nan 0.000 0.538 832 V N 5.170 125.002 119.914 -0.138 0.000 2.577 832 V HA 0.468 4.589 4.120 0.001 0.000 0.303 832 V C -0.631 175.551 176.094 0.145 0.000 1.042 832 V CA -0.999 61.320 62.300 0.032 0.000 0.872 832 V CB 1.854 33.746 31.823 0.116 0.000 0.998 832 V HN 0.529 nan 8.190 nan 0.000 0.423 833 L N 6.621 127.967 121.223 0.205 0.000 2.386 833 L HA 0.604 4.944 4.340 0.001 0.000 0.271 833 L C -2.506 174.472 176.870 0.180 0.000 0.993 833 L CA -1.799 53.163 54.840 0.204 0.000 0.819 833 L CB 3.360 45.554 42.059 0.225 0.000 1.294 833 L HN 0.410 nan 8.230 nan 0.000 0.414 834 P HA 0.218 nan 4.420 nan 0.000 0.275 834 P C -1.220 176.169 177.300 0.149 0.000 1.228 834 P CA -0.419 62.826 63.100 0.243 0.000 0.786 834 P CB 1.429 33.284 31.700 0.258 0.000 0.927 835 L N 2.941 124.250 121.223 0.143 0.000 2.334 835 L HA 0.454 4.794 4.340 0.001 0.000 0.273 835 L C 1.060 178.052 176.870 0.202 0.000 1.013 835 L CA -0.866 54.073 54.840 0.165 0.000 0.816 835 L CB 1.009 43.140 42.059 0.120 0.000 1.278 835 L HN 0.327 nan 8.230 nan 0.000 0.431 836 R N 0.823 121.501 120.500 0.297 0.000 2.539 836 R HA 0.154 4.494 4.340 0.001 0.000 0.275 836 R C -0.184 176.283 176.300 0.278 0.000 1.077 836 R CA -0.555 55.729 56.100 0.308 0.000 1.097 836 R CB 0.517 31.035 30.300 0.364 0.000 1.018 836 R HN 0.543 nan 8.270 nan 0.000 0.483 837 E N 0.436 120.758 120.200 0.205 0.000 2.585 837 E HA -0.065 4.286 4.350 0.001 0.000 0.252 837 E C 0.529 177.221 176.600 0.153 0.000 0.981 837 E CA 1.161 57.645 56.400 0.140 0.000 0.943 837 E CB 0.174 29.945 29.700 0.119 0.000 0.923 837 E HN 0.823 nan 8.360 nan 0.000 0.486 838 G N 3.445 112.248 108.800 0.005 0.000 2.163 838 G HA2 -0.291 3.670 3.960 0.001 0.000 0.213 838 G HA3 -0.291 3.670 3.960 0.001 0.000 0.213 838 G C -0.073 174.492 174.900 -0.559 0.000 0.991 838 G CA 0.026 45.066 45.100 -0.099 0.000 0.653 838 G HN 0.760 nan 8.290 nan 0.000 0.518 839 N N 0.645 118.865 118.700 -0.801 0.000 2.381 839 N HA 0.452 5.192 4.740 0.001 0.000 0.241 839 N C -0.659 174.337 175.510 -0.858 0.000 1.279 839 N CA -0.641 51.523 53.050 -1.476 0.000 0.896 839 N CB 0.825 38.903 38.487 -0.681 0.000 1.118 839 N HN 0.107 nan 8.380 nan 0.000 0.438 840 P HA -0.041 nan 4.420 nan 0.000 0.233 840 P C 0.288 177.296 177.300 -0.488 0.000 1.167 840 P CA 0.833 63.584 63.100 -0.583 0.000 0.770 840 P CB -0.034 31.317 31.700 -0.580 0.000 0.837 841 F N 0.593 120.386 119.950 -0.261 0.000 2.456 841 F HA 0.229 4.756 4.527 -0.000 0.000 0.298 841 F C 1.927 177.664 175.800 -0.105 0.000 1.104 841 F CA 1.252 59.163 58.000 -0.148 0.000 1.435 841 F CB -1.052 37.878 39.000 -0.116 0.000 1.078 841 F HN 0.055 nan 8.300 nan 0.000 0.546 842 G N 0.429 109.243 108.800 0.023 0.000 2.160 842 G HA2 -0.216 3.744 3.960 0.001 0.000 0.244 842 G HA3 -0.216 3.744 3.960 0.001 0.000 0.244 842 G C -0.450 174.489 174.900 0.064 0.000 1.022 842 G CA 0.284 45.399 45.100 0.026 0.000 0.741 842 G HN 0.357 nan 8.290 nan 0.000 0.508 843 D N -1.636 118.795 120.400 0.052 0.000 2.671 843 D HA 0.268 4.908 4.640 0.001 0.000 0.273 843 D C 1.245 177.558 176.300 0.022 0.000 1.264 843 D CA -0.139 53.884 54.000 0.038 0.000 0.788 843 D CB 0.480 41.296 40.800 0.026 0.000 1.324 843 D HN 0.147 nan 8.370 nan 0.000 0.424 844 K N -0.840 119.566 120.400 0.011 0.000 2.487 844 K HA 0.209 4.529 4.320 0.001 0.000 0.192 844 K C 0.547 177.151 176.600 0.006 0.000 1.027 844 K CA 0.189 56.505 56.287 0.047 0.000 1.054 844 K CB -0.440 32.129 32.500 0.114 0.000 0.824 844 K HN 0.443 nan 8.250 nan 0.000 0.510 845 C N -1.572 117.652 119.300 -0.126 0.000 3.312 845 C HA 0.733 5.193 4.460 0.001 0.000 0.332 845 C C -1.223 173.647 174.990 -0.198 0.000 1.340 845 C CA -1.406 57.494 59.018 -0.197 0.000 1.265 845 C CB 0.709 28.085 27.740 -0.607 0.000 1.563 845 C HN 0.375 nan 8.230 nan 0.000 0.471 846 I N 1.092 121.578 120.570 -0.140 0.000 2.865 846 I HA 0.794 4.965 4.170 0.001 0.000 0.302 846 I C -0.537 175.609 176.117 0.049 0.000 1.140 846 I CA -0.458 60.785 61.300 -0.097 0.000 1.021 846 I CB 2.172 40.024 38.000 -0.246 0.000 1.233 846 I HN 1.363 nan 8.210 nan 0.000 0.427 847 A N 5.255 128.122 122.820 0.078 0.000 2.455 847 A HA 0.765 5.086 4.320 0.001 0.000 0.300 847 A C -1.879 175.674 177.584 -0.053 0.000 1.040 847 A CA -0.435 51.628 52.037 0.044 0.000 0.697 847 A CB 0.985 19.945 19.000 -0.066 0.000 1.265 847 A HN 0.851 nan 8.150 nan 0.000 0.407 848 W N 1.263 122.332 121.300 -0.384 0.000 3.032 848 W HA 0.789 5.449 4.660 -0.001 0.000 0.341 848 W C -3.321 172.968 176.519 -0.382 0.000 1.202 848 W CA -2.770 54.156 57.345 -0.698 0.000 1.132 848 W CB 0.438 29.487 29.460 -0.685 0.000 1.465 848 W HN 0.411 nan 8.180 nan 0.000 0.576 849 P HA 0.073 nan 4.420 nan 0.000 0.267 849 P C 0.092 177.075 177.300 -0.528 0.000 1.205 849 P CA 0.232 63.127 63.100 -0.341 0.000 0.765 849 P CB 0.959 32.574 31.700 -0.142 0.000 0.828 850 S N 2.210 117.452 115.700 -0.762 0.000 2.593 850 S HA 0.426 4.897 4.470 0.001 0.000 0.269 850 S C 1.399 175.619 174.600 -0.633 0.000 1.334 850 S CA 0.306 57.745 58.200 -1.267 0.000 1.015 850 S CB 0.004 62.400 63.200 -1.341 0.000 0.912 850 S HN 0.914 nan 8.310 nan 0.000 0.541 851 G N 0.401 108.920 108.800 -0.469 0.000 2.234 851 G HA2 -0.237 3.723 3.960 0.001 0.000 0.260 851 G HA3 -0.237 3.723 3.960 0.001 0.000 0.260 851 G C 0.276 175.247 174.900 0.119 0.000 0.987 851 G CA 0.615 45.668 45.100 -0.078 0.000 0.625 851 G HN 1.808 nan 8.290 nan 0.000 0.532 852 T N -1.567 113.106 114.554 0.198 0.000 2.912 852 T HA 0.684 5.035 4.350 0.001 0.000 0.288 852 T C -0.243 174.747 174.700 0.483 0.000 1.030 852 T CA -0.635 61.631 62.100 0.276 0.000 1.020 852 T CB 2.643 71.649 68.868 0.231 0.000 1.056 852 T HN 0.139 nan 8.240 nan 0.000 0.480 853 E N 1.131 121.514 120.200 0.306 0.000 2.398 853 E HA 0.182 4.532 4.350 0.001 0.000 0.263 853 E C -0.090 176.618 176.600 0.179 0.000 1.046 853 E CA -0.229 56.334 56.400 0.273 0.000 0.908 853 E CB 1.237 31.030 29.700 0.154 0.000 0.963 853 E HN 0.673 nan 8.360 nan 0.000 0.431 854 I N 1.724 122.222 120.570 -0.120 0.000 2.496 854 I HA -0.062 4.109 4.170 0.001 0.000 0.285 854 I C 0.809 176.843 176.117 -0.139 0.000 1.080 854 I CA 0.276 61.284 61.300 -0.487 0.000 1.404 854 I CB 0.890 38.195 38.000 -1.157 0.000 1.403 854 I HN 0.342 nan 8.210 nan 0.000 0.539 855 T N 5.140 119.685 114.554 -0.014 0.000 2.867 855 T HA -0.116 4.235 4.350 0.001 0.000 0.290 855 T C 1.104 175.799 174.700 -0.009 0.000 1.025 855 T CA 0.204 62.323 62.100 0.031 0.000 1.146 855 T CB 0.125 69.040 68.868 0.078 0.000 1.024 855 T HN 0.716 nan 8.240 nan 0.000 0.519 856 D N 3.562 123.960 120.400 -0.003 0.000 2.265 856 D HA -0.089 4.551 4.640 0.001 0.000 0.208 856 D C 1.954 178.245 176.300 -0.015 0.000 0.977 856 D CA 0.945 54.935 54.000 -0.017 0.000 0.871 856 D CB 0.134 40.930 40.800 -0.007 0.000 0.925 856 D HN 0.576 nan 8.370 nan 0.000 0.485 857 L N 0.551 121.772 121.223 -0.002 0.000 2.376 857 L HA -0.030 4.310 4.340 0.001 0.000 0.219 857 L C 2.161 179.038 176.870 0.012 0.000 1.133 857 L CA 0.599 55.439 54.840 -0.001 0.000 0.816 857 L CB 0.018 42.076 42.059 -0.003 0.000 0.933 857 L HN 0.115 nan 8.230 nan 0.000 0.449 858 I N -5.875 114.714 120.570 0.032 0.000 4.327 858 I HA 0.056 4.227 4.170 0.001 0.000 0.331 858 I C 2.015 178.179 176.117 0.080 0.000 1.348 858 I CA -0.044 61.325 61.300 0.115 0.000 1.152 858 I CB -0.023 38.112 38.000 0.225 0.000 1.151 858 I HN -0.061 nan 8.210 nan 0.000 0.410 859 K N 2.601 122.972 120.400 -0.048 0.000 2.063 859 K HA -0.232 4.088 4.320 0.001 0.000 0.208 859 K C 1.718 178.234 176.600 -0.140 0.000 1.048 859 K CA 2.519 58.699 56.287 -0.177 0.000 0.928 859 K CB -0.182 32.198 32.500 -0.200 0.000 0.713 859 K HN 0.650 nan 8.250 nan 0.000 0.442 860 D N 0.371 120.740 120.400 -0.051 0.000 2.144 860 D HA -0.206 4.434 4.640 0.001 0.000 0.200 860 D C 1.148 177.500 176.300 0.088 0.000 0.978 860 D CA 1.113 55.101 54.000 -0.019 0.000 0.833 860 D CB -0.399 40.388 40.800 -0.021 0.000 0.961 860 D HN 0.249 nan 8.370 nan 0.000 0.470 861 D N 0.742 121.247 120.400 0.175 0.000 2.149 861 D HA -0.068 4.573 4.640 0.001 0.000 0.201 861 D C 2.448 179.068 176.300 0.533 0.000 0.972 861 D CA 0.485 54.708 54.000 0.373 0.000 0.835 861 D CB 0.093 41.017 40.800 0.208 0.000 0.966 861 D HN 0.148 nan 8.370 nan 0.000 0.476 862 V N 1.654 121.773 119.914 0.342 0.000 2.295 862 V HA -0.228 3.893 4.120 0.001 0.000 0.246 862 V C 2.721 178.848 176.094 0.054 0.000 1.049 862 V CA 1.212 63.581 62.300 0.115 0.000 1.024 862 V CB -0.527 31.181 31.823 -0.191 0.000 0.648 862 V HN 0.179 nan 8.190 nan 0.000 0.447 863 L N -0.667 120.525 121.223 -0.052 0.000 2.083 863 L HA -0.234 4.106 4.340 0.001 0.000 0.209 863 L C 2.572 179.496 176.870 0.090 0.000 1.083 863 L CA 2.037 56.842 54.840 -0.057 0.000 0.752 863 L CB -0.799 41.180 42.059 -0.134 0.000 0.899 863 L HN 0.499 nan 8.230 nan 0.000 0.433 864 H N -1.352 117.731 119.070 0.023 0.000 2.428 864 H HA -0.166 4.390 4.556 0.001 0.000 0.296 864 H C 1.569 176.782 175.328 -0.192 0.000 1.062 864 H CA 1.371 57.368 56.048 -0.085 0.000 1.350 864 H CB 0.220 29.916 29.762 -0.111 0.000 1.403 864 H HN 0.359 nan 8.280 nan 0.000 0.533 865 W N 0.570 121.877 121.300 0.011 0.000 3.177 865 W HA 0.239 4.900 4.660 0.002 0.000 0.309 865 W C 0.462 176.980 176.519 -0.002 0.000 1.224 865 W CA -0.551 56.781 57.345 -0.023 0.000 1.718 865 W CB 0.279 29.790 29.460 0.086 0.000 1.078 865 W HN -0.075 nan 8.180 nan 0.000 0.618 866 M N 1.879 121.552 119.600 0.122 0.000 2.243 866 M HA -0.138 4.342 4.480 0.001 0.000 0.365 866 M C 0.216 176.503 176.300 -0.023 0.000 1.327 866 M CA 0.997 56.276 55.300 -0.035 0.000 0.918 866 M CB 0.137 32.554 32.600 -0.305 0.000 1.894 866 M HN -0.176 nan 8.290 nan 0.000 0.473 867 D N 3.282 123.698 120.400 0.027 0.000 2.494 867 D HA 0.094 4.734 4.640 0.001 0.000 0.217 867 D C 0.263 176.630 176.300 0.113 0.000 1.153 867 D CA 0.012 54.074 54.000 0.103 0.000 0.954 867 D CB 0.216 41.099 40.800 0.139 0.000 1.034 867 D HN 0.445 nan 8.370 nan 0.000 0.518 868 Y N 1.135 121.528 120.300 0.156 0.000 2.224 868 Y HA -0.212 4.338 4.550 0.001 0.000 0.289 868 Y C 2.524 178.561 175.900 0.228 0.000 1.146 868 Y CA 1.243 59.504 58.100 0.269 0.000 1.182 868 Y CB -0.212 38.388 38.460 0.232 0.000 0.983 868 Y HN 0.297 nan 8.280 nan 0.000 0.524 869 T N -0.783 113.936 114.554 0.275 0.000 2.708 869 T HA -0.165 4.185 4.350 0.001 0.000 0.266 869 T C 2.101 176.859 174.700 0.096 0.000 1.037 869 T CA 1.588 63.774 62.100 0.143 0.000 1.146 869 T CB -0.720 68.212 68.868 0.108 0.000 0.865 869 T HN 0.107 nan 8.240 nan 0.000 0.435 870 V N 1.294 121.275 119.914 0.112 0.000 2.358 870 V HA -0.066 4.054 4.120 0.001 0.000 0.246 870 V C 2.481 178.623 176.094 0.080 0.000 1.047 870 V CA 1.192 63.542 62.300 0.082 0.000 1.035 870 V CB -0.629 31.250 31.823 0.093 0.000 0.658 870 V HN 0.409 nan 8.190 nan 0.000 0.452 871 L N -0.801 120.505 121.223 0.137 0.000 1.989 871 L HA -0.230 4.110 4.340 0.001 0.000 0.211 871 L C 2.471 179.402 176.870 0.101 0.000 1.071 871 L CA 1.856 56.805 54.840 0.182 0.000 0.749 871 L CB -0.397 41.862 42.059 0.333 0.000 0.890 871 L HN 0.359 nan 8.230 nan 0.000 0.431 872 L N -0.032 121.134 121.223 -0.094 0.000 2.046 872 L HA -0.225 4.115 4.340 0.001 0.000 0.208 872 L C 2.402 179.212 176.870 -0.100 0.000 1.077 872 L CA 1.865 56.435 54.840 -0.451 0.000 0.747 872 L CB -0.419 41.131 42.059 -0.850 0.000 0.896 872 L HN 0.230 nan 8.230 nan 0.000 0.432 873 E N -0.106 120.069 120.200 -0.043 0.000 2.047 873 E HA -0.232 4.118 4.350 0.001 0.000 0.191 873 E C 2.223 178.806 176.600 -0.028 0.000 0.987 873 E CA 1.679 58.069 56.400 -0.016 0.000 0.799 873 E CB -0.122 29.579 29.700 0.001 0.000 0.752 873 E HN 0.427 nan 8.360 nan 0.000 0.449 874 K N -0.920 119.470 120.400 -0.016 0.000 2.057 874 K HA -0.058 4.262 4.320 0.001 0.000 0.206 874 K C 2.133 178.720 176.600 -0.021 0.000 1.050 874 K CA 1.872 58.139 56.287 -0.034 0.000 0.935 874 K CB -0.092 32.382 32.500 -0.044 0.000 0.715 874 K HN 0.388 nan 8.250 nan 0.000 0.439 875 T N -2.497 112.079 114.554 0.037 0.000 3.040 875 T HA 0.043 4.393 4.350 0.001 0.000 0.252 875 T C 1.498 176.270 174.700 0.120 0.000 1.064 875 T CA 0.110 62.258 62.100 0.079 0.000 1.110 875 T CB -0.046 68.910 68.868 0.147 0.000 0.921 875 T HN 0.106 nan 8.240 nan 0.000 0.480 876 F N 0.963 120.874 119.950 -0.065 0.000 2.479 876 F HA 0.490 5.018 4.527 0.001 0.000 0.280 876 F C 1.760 177.458 175.800 -0.170 0.000 0.982 876 F CA -0.475 57.476 58.000 -0.083 0.000 1.276 876 F CB -0.099 38.902 39.000 0.002 0.000 1.137 876 F HN -0.047 nan 8.300 nan 0.000 0.660 877 I N 0.737 121.174 120.570 -0.222 0.000 2.142 877 I HA -0.283 3.887 4.170 0.001 0.000 0.240 877 I C 2.424 178.277 176.117 -0.439 0.000 1.078 877 I CA 1.559 62.617 61.300 -0.405 0.000 1.343 877 I CB -0.475 37.453 38.000 -0.121 0.000 1.046 877 I HN 0.122 nan 8.210 nan 0.000 0.405 878 K N 0.690 120.929 120.400 -0.268 0.000 2.009 878 K HA -0.179 4.142 4.320 0.001 0.000 0.210 878 K C -0.470 175.921 176.600 -0.347 0.000 1.049 878 K CA 1.872 58.018 56.287 -0.235 0.000 0.929 878 K CB -0.884 31.530 32.500 -0.144 0.000 0.714 878 K HN 0.151 nan 8.250 nan 0.000 0.440 879 P HA -0.185 nan 4.420 nan 0.000 0.215 879 P C 1.224 177.792 177.300 -1.220 0.000 1.157 879 P CA 0.960 63.661 63.100 -0.665 0.000 0.868 879 P CB 0.036 31.419 31.700 -0.528 0.000 0.788 880 L N -0.072 120.493 121.223 -1.096 0.000 2.083 880 L HA -0.139 4.202 4.340 0.001 0.000 0.209 880 L C 2.213 178.678 176.870 -0.675 0.000 1.083 880 L CA 1.941 56.155 54.840 -1.044 0.000 0.752 880 L CB -1.260 40.153 42.059 -1.077 0.000 0.899 880 L HN -0.104 nan 8.230 nan 0.000 0.433 881 E N -0.186 119.684 120.200 -0.549 0.000 2.085 881 E HA -0.190 4.161 4.350 0.001 0.000 0.194 881 E C 2.033 178.534 176.600 -0.165 0.000 0.994 881 E CA 1.292 57.566 56.400 -0.210 0.000 0.801 881 E CB -0.445 29.176 29.700 -0.132 0.000 0.743 881 E HN 0.615 nan 8.360 nan 0.000 0.453 882 G N 0.349 109.006 108.800 -0.238 0.000 2.421 882 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 882 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 882 G C 1.394 176.319 174.900 0.042 0.000 1.171 882 G CA 0.820 45.867 45.100 -0.088 0.000 0.775 882 G HN 0.182 nan 8.290 nan 0.000 0.543 883 F N 2.000 121.863 119.950 -0.143 0.000 2.075 883 F HA -0.082 4.445 4.527 0.001 0.000 0.297 883 F C 3.180 178.679 175.800 -0.502 0.000 1.113 883 F CA 1.467 59.280 58.000 -0.311 0.000 1.218 883 F CB -1.524 37.298 39.000 -0.298 0.000 0.984 883 F HN 0.287 nan 8.300 nan 0.000 0.472 884 T N -2.227 112.247 114.554 -0.134 0.000 2.896 884 T HA -0.107 4.243 4.350 0.001 0.000 0.263 884 T C 2.128 176.758 174.700 -0.118 0.000 1.050 884 T CA 1.180 63.189 62.100 -0.152 0.000 1.140 884 T CB -0.914 67.932 68.868 -0.037 0.000 0.877 884 T HN 0.304 nan 8.240 nan 0.000 0.457 885 S N 2.189 117.846 115.700 -0.071 0.000 2.402 885 S HA 0.184 4.654 4.470 0.001 0.000 0.229 885 S C 2.438 177.016 174.600 -0.037 0.000 1.021 885 S CA 0.666 58.837 58.200 -0.049 0.000 0.974 885 S CB -0.839 62.344 63.200 -0.028 0.000 0.800 885 S HN 0.708 nan 8.310 nan 0.000 0.484 886 A N 1.991 124.795 122.820 -0.027 0.000 1.898 886 A HA 0.424 4.745 4.320 0.001 0.000 0.216 886 A C 2.351 179.927 177.584 -0.013 0.000 1.181 886 A CA 1.432 53.484 52.037 0.026 0.000 0.620 886 A CB -1.263 17.811 19.000 0.123 0.000 0.819 886 A HN 0.947 nan 8.150 nan 0.000 0.442 887 A N -1.329 121.410 122.820 -0.135 0.000 2.259 887 A HA 0.270 4.590 4.320 0.001 0.000 0.208 887 A C 0.682 178.209 177.584 -0.095 0.000 1.201 887 A CA 0.535 52.490 52.037 -0.137 0.000 0.824 887 A CB -0.245 18.554 19.000 -0.335 0.000 0.838 887 A HN 0.327 nan 8.150 nan 0.000 0.485 888 K N -1.695 118.657 120.400 -0.080 0.000 3.096 888 K HA -0.179 4.141 4.320 0.001 0.000 0.266 888 K C -0.782 175.775 176.600 -0.071 0.000 1.043 888 K CA 0.618 56.865 56.287 -0.066 0.000 0.758 888 K CB -2.159 30.307 32.500 -0.056 0.000 1.260 888 K HN 0.389 nan 8.250 nan 0.000 0.481 889 L N 0.132 121.303 121.223 -0.087 0.000 2.309 889 L HA 0.531 4.872 4.340 0.001 0.000 0.261 889 L C 0.130 176.942 176.870 -0.097 0.000 1.021 889 L CA -0.369 54.422 54.840 -0.083 0.000 0.823 889 L CB 1.615 43.623 42.059 -0.086 0.000 1.366 889 L HN 0.006 nan 8.230 nan 0.000 0.423 890 D N -0.299 120.032 120.400 -0.116 0.000 2.481 890 D HA 0.243 4.883 4.640 0.001 0.000 0.244 890 D C -0.127 176.049 176.300 -0.208 0.000 1.057 890 D CA -0.149 53.723 54.000 -0.213 0.000 0.848 890 D CB 1.942 42.597 40.800 -0.242 0.000 1.388 890 D HN 0.557 nan 8.370 nan 0.000 0.475 891 Y N -0.041 120.097 120.300 -0.270 0.000 2.517 891 Y HA 0.176 4.727 4.550 0.001 0.000 0.281 891 Y C 0.496 176.156 175.900 -0.399 0.000 1.125 891 Y CA -0.193 57.677 58.100 -0.384 0.000 1.283 891 Y CB 0.168 38.236 38.460 -0.654 0.000 1.042 891 Y HN 0.236 nan 8.280 nan 0.000 0.547 892 E N 0.347 120.170 120.200 -0.629 0.000 2.317 892 E HA 0.295 4.645 4.350 0.001 0.000 0.270 892 E C -1.008 175.457 176.600 -0.226 0.000 0.885 892 E CA -1.292 54.937 56.400 -0.285 0.000 0.760 892 E CB 1.685 31.259 29.700 -0.211 0.000 1.227 892 E HN -0.192 nan 8.360 nan 0.000 0.434 893 K N 2.132 122.478 120.400 -0.090 0.000 2.489 893 K HA 0.017 4.338 4.320 0.001 0.000 0.278 893 K C 0.155 176.712 176.600 -0.071 0.000 1.000 893 K CA 0.131 56.380 56.287 -0.062 0.000 1.012 893 K CB 0.685 33.180 32.500 -0.009 0.000 0.903 893 K HN 0.463 nan 8.250 nan 0.000 0.485 894 K N 1.902 122.266 120.400 -0.060 0.000 3.290 894 K HA 0.145 4.465 4.320 0.001 0.000 0.271 894 K C 1.485 178.081 176.600 -0.005 0.000 1.071 894 K CA 0.569 56.825 56.287 -0.051 0.000 1.609 894 K CB -0.855 31.613 32.500 -0.054 0.000 2.191 894 K HN 0.632 nan 8.250 nan 0.000 0.698 895 A N 1.005 123.831 122.820 0.010 0.000 2.817 895 A HA -0.205 4.116 4.320 0.001 0.000 0.206 895 A C 1.153 178.763 177.584 0.044 0.000 1.089 895 A CA 3.076 55.128 52.037 0.024 0.000 1.047 895 A CB -1.163 17.855 19.000 0.030 0.000 0.732 895 A HN 0.717 nan 8.150 nan 0.000 0.553 896 S N -3.488 112.262 115.700 0.083 0.000 2.732 896 S HA 0.626 5.097 4.470 0.001 0.000 0.293 896 S C 0.636 175.272 174.600 0.060 0.000 1.159 896 S CA -0.103 58.158 58.200 0.102 0.000 0.847 896 S CB 0.795 64.138 63.200 0.238 0.000 1.169 896 S HN 0.434 nan 8.310 nan 0.000 0.501 897 L N -0.310 120.891 121.223 -0.038 0.000 2.191 897 L HA -0.001 4.339 4.340 0.001 0.000 0.212 897 L C 1.957 178.787 176.870 -0.067 0.000 1.103 897 L CA 1.330 56.093 54.840 -0.128 0.000 0.769 897 L CB -0.718 41.191 42.059 -0.249 0.000 0.908 897 L HN 0.623 nan 8.230 nan 0.000 0.438 898 F N 0.180 120.236 119.950 0.177 0.000 2.234 898 F HA -0.194 4.333 4.527 0.001 0.000 0.299 898 F C 2.108 178.058 175.800 0.250 0.000 1.087 898 F CA 0.933 59.126 58.000 0.322 0.000 1.340 898 F CB -0.708 38.406 39.000 0.190 0.000 1.031 898 F HN 0.091 nan 8.300 nan 0.000 0.500 899 D N 0.723 121.287 120.400 0.274 0.000 2.263 899 D HA -0.240 4.401 4.640 0.001 0.000 0.193 899 D C 1.562 177.912 176.300 0.084 0.000 1.013 899 D CA 1.724 55.814 54.000 0.150 0.000 0.892 899 D CB -0.497 40.350 40.800 0.077 0.000 0.909 899 D HN 0.337 nan 8.370 nan 0.000 0.449 900 M N -1.271 118.303 119.600 -0.044 0.000 3.533 900 M HA 0.308 4.788 4.480 0.001 0.000 0.217 900 M C -0.830 175.212 176.300 -0.429 0.000 1.269 900 M CA 0.155 55.331 55.300 -0.207 0.000 1.435 900 M CB -0.178 32.249 32.600 -0.288 0.000 1.105 900 M HN -0.275 nan 8.290 nan 0.000 0.555 901 F N 0.343 120.353 119.950 0.101 0.000 2.708 901 F HA 0.363 4.891 4.527 0.001 0.000 0.344 901 F C -0.128 175.723 175.800 0.084 0.000 1.447 901 F CA -0.490 57.566 58.000 0.093 0.000 1.140 901 F CB 0.545 39.617 39.000 0.120 0.000 1.657 901 F HN 0.242 nan 8.300 nan 0.000 0.598 902 D N -0.292 120.242 120.400 0.224 0.000 2.186 902 D HA 0.103 4.743 4.640 0.001 0.000 0.316 902 D C -0.186 176.235 176.300 0.202 0.000 1.071 902 D CA 0.435 54.545 54.000 0.183 0.000 0.869 902 D CB 0.694 41.584 40.800 0.150 0.000 1.623 902 D HN 0.186 nan 8.370 nan 0.000 0.531 903 F N 0.000 119.983 119.950 0.055 0.000 2.286 903 F HA 0.000 4.527 4.527 0.001 0.000 0.279 903 F CA 0.000 58.023 58.000 0.038 0.000 1.383 903 F CB 0.000 39.009 39.000 0.014 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574