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 1q9x_1_B 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 LLINSLYGAL 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 0.000 176.343 176.300 0.072 0.000 1.140 1 M CA 0.000 55.332 55.300 0.053 0.000 0.988 1 M CB 0.000 32.651 32.600 0.084 0.000 1.302 2 K N 2.813 123.247 120.400 0.056 0.000 2.416 2 K HA 0.136 4.460 4.320 0.007 0.000 0.283 2 K C -0.203 176.562 176.600 0.275 0.000 1.037 2 K CA 0.056 56.380 56.287 0.060 0.000 0.995 2 K CB 0.422 32.877 32.500 -0.075 0.000 0.938 2 K HN 0.521 nan 8.250 nan 0.000 0.475 3 E N 3.700 124.095 120.200 0.325 0.000 2.415 3 E HA 0.128 4.482 4.350 0.007 0.000 0.262 3 E C -0.070 176.906 176.600 0.625 0.000 1.038 3 E CA 0.059 56.712 56.400 0.422 0.000 0.921 3 E CB 0.099 30.029 29.700 0.383 0.000 0.950 3 E HN 0.326 nan 8.360 nan 0.000 0.438 4 F N -1.012 119.108 119.950 0.283 0.000 2.613 4 F HA 0.461 4.991 4.527 0.004 0.000 0.310 4 F C -0.767 175.051 175.800 0.030 0.000 1.085 4 F CA -1.833 56.149 58.000 -0.029 0.000 0.945 4 F CB 0.467 39.327 39.000 -0.234 0.000 1.298 4 F HN 0.474 nan 8.300 nan 0.000 0.455 5 Y N 1.056 121.298 120.300 -0.096 0.000 2.299 5 Y HA 0.644 5.197 4.550 0.004 0.000 0.335 5 Y C -0.391 175.681 175.900 0.285 0.000 1.287 5 Y CA -0.802 57.381 58.100 0.139 0.000 1.424 5 Y CB 0.235 38.766 38.460 0.119 0.000 1.326 5 Y HN 0.591 nan 8.280 nan 0.000 0.567 6 L N 0.654 122.105 121.223 0.380 0.000 2.675 6 L HA 0.286 4.630 4.340 0.007 0.000 0.178 6 L C 0.559 177.635 176.870 0.343 0.000 1.135 6 L CA 1.329 56.327 54.840 0.262 0.000 0.855 6 L CB -0.485 41.663 42.059 0.147 0.000 1.235 6 L HN 1.007 nan 8.230 nan 0.000 0.499 7 T N -2.442 112.328 114.554 0.359 0.000 2.903 7 T HA 0.691 5.045 4.350 0.007 0.000 0.299 7 T C -1.004 173.882 174.700 0.310 0.000 1.093 7 T CA -0.690 61.601 62.100 0.319 0.000 1.002 7 T CB 2.353 71.372 68.868 0.252 0.000 1.127 7 T HN -0.082 nan 8.240 nan 0.000 0.488 8 V N 0.968 121.009 119.914 0.210 0.000 2.760 8 V HA 0.743 4.867 4.120 0.007 0.000 0.309 8 V C -1.734 174.420 176.094 0.100 0.000 1.077 8 V CA -0.476 61.893 62.300 0.115 0.000 0.910 8 V CB 1.832 33.666 31.823 0.019 0.000 1.008 8 V HN 1.054 nan 8.190 nan 0.000 0.424 9 E N 4.158 124.390 120.200 0.053 0.000 2.367 9 E HA 0.378 4.732 4.350 0.007 0.000 0.273 9 E C -1.527 175.046 176.600 -0.045 0.000 0.903 9 E CA -0.619 55.804 56.400 0.040 0.000 0.764 9 E CB 2.522 32.256 29.700 0.057 0.000 1.252 9 E HN 0.760 nan 8.360 nan 0.000 0.446 10 Q N 2.031 121.798 119.800 -0.056 0.000 2.348 10 Q HA 0.499 4.843 4.340 0.007 0.000 0.265 10 Q C -1.195 174.718 176.000 -0.145 0.000 0.998 10 Q CA -0.484 55.282 55.803 -0.061 0.000 0.831 10 Q CB 0.664 29.412 28.738 0.017 0.000 1.251 10 Q HN 0.468 nan 8.270 nan 0.000 0.456 11 I N 4.845 125.355 120.570 -0.099 0.000 2.420 11 I HA 0.427 4.601 4.170 0.007 0.000 0.282 11 I C 0.743 176.838 176.117 -0.036 0.000 1.019 11 I CA -0.022 61.187 61.300 -0.152 0.000 1.130 11 I CB 1.481 39.355 38.000 -0.210 0.000 1.262 11 I HN 0.984 nan 8.210 nan 0.000 0.454 12 G N 5.281 114.051 108.800 -0.049 0.000 2.574 12 G HA2 -0.289 3.675 3.960 0.007 0.000 0.286 12 G HA3 -0.289 3.675 3.960 0.007 0.000 0.286 12 G C 0.364 175.240 174.900 -0.040 0.000 1.212 12 G CA 0.318 45.401 45.100 -0.029 0.000 0.979 12 G HN 0.570 nan 8.290 nan 0.000 0.557 13 D N 1.317 121.685 120.400 -0.055 0.000 2.325 13 D HA 0.373 5.017 4.640 0.007 0.000 0.234 13 D C 0.616 176.851 176.300 -0.108 0.000 1.122 13 D CA 0.840 54.788 54.000 -0.087 0.000 0.850 13 D CB 0.293 41.040 40.800 -0.088 0.000 0.921 13 D HN 0.267 nan 8.370 nan 0.000 0.513 14 S N 0.069 115.699 115.700 -0.118 0.000 2.503 14 S HA 0.504 4.978 4.470 0.007 0.000 0.301 14 S C 0.020 174.453 174.600 -0.278 0.000 1.087 14 S CA -0.593 57.460 58.200 -0.244 0.000 1.042 14 S CB 1.946 64.937 63.200 -0.350 0.000 1.043 14 S HN 0.028 nan 8.310 nan 0.000 0.489 15 I N 3.105 123.436 120.570 -0.399 0.000 2.321 15 I HA 0.335 4.509 4.170 0.007 0.000 0.291 15 I C -1.158 174.606 176.117 -0.589 0.000 0.998 15 I CA -0.362 60.663 61.300 -0.458 0.000 1.227 15 I CB 0.676 38.265 38.000 -0.684 0.000 1.368 15 I HN 0.506 nan 8.210 nan 0.000 0.466 16 F N 5.727 125.453 119.950 -0.373 0.000 2.391 16 F HA 0.335 4.867 4.527 0.007 0.000 0.359 16 F C 0.535 176.196 175.800 -0.233 0.000 1.122 16 F CA -0.371 57.367 58.000 -0.436 0.000 1.120 16 F CB 0.792 39.182 39.000 -1.018 0.000 1.142 16 F HN 0.413 nan 8.300 nan 0.000 0.483 17 E N 4.419 124.663 120.200 0.074 0.000 2.183 17 E HA 0.510 4.864 4.350 0.007 0.000 0.271 17 E C -0.899 175.945 176.600 0.406 0.000 0.919 17 E CA -0.898 55.647 56.400 0.242 0.000 0.781 17 E CB 1.124 30.974 29.700 0.250 0.000 1.140 17 E HN 0.582 nan 8.360 nan 0.000 0.402 18 R N 3.023 123.766 120.500 0.405 0.000 2.514 18 R HA 0.412 4.756 4.340 0.007 0.000 0.301 18 R C -1.220 175.296 176.300 0.359 0.000 0.962 18 R CA -0.671 55.617 56.100 0.314 0.000 0.882 18 R CB 1.182 31.603 30.300 0.202 0.000 1.143 18 R HN 0.494 nan 8.270 nan 0.000 0.452 19 Y N -0.197 120.164 120.300 0.101 0.000 2.597 19 Y HA 0.541 5.095 4.550 0.008 0.000 0.340 19 Y C -1.213 174.611 175.900 -0.128 0.000 1.097 19 Y CA -1.570 56.548 58.100 0.030 0.000 1.037 19 Y CB 1.083 39.647 38.460 0.172 0.000 1.305 19 Y HN 0.209 nan 8.280 nan 0.000 0.463 20 I N 3.600 123.987 120.570 -0.305 0.000 2.396 20 I HA 0.214 4.388 4.170 0.007 0.000 0.292 20 I C -0.237 175.834 176.117 -0.077 0.000 0.999 20 I CA -0.280 60.770 61.300 -0.416 0.000 1.310 20 I CB 1.127 38.605 38.000 -0.870 0.000 1.404 20 I HN 0.895 nan 8.210 nan 0.000 0.496 21 D N 3.210 123.591 120.400 -0.033 0.000 2.564 21 D HA 0.154 4.798 4.640 0.007 0.000 0.273 21 D C 0.946 177.322 176.300 0.127 0.000 1.192 21 D CA -0.446 53.657 54.000 0.171 0.000 1.080 21 D CB 0.460 41.348 40.800 0.147 0.000 1.160 21 D HN 0.414 nan 8.370 nan 0.000 0.607 22 S N -0.972 114.812 115.700 0.140 0.000 2.474 22 S HA -0.129 4.345 4.470 0.007 0.000 0.235 22 S C 0.770 175.413 174.600 0.072 0.000 0.997 22 S CA 0.442 58.705 58.200 0.105 0.000 0.949 22 S CB -0.561 62.692 63.200 0.089 0.000 0.766 22 S HN 0.480 nan 8.310 nan 0.000 0.517 23 N N 1.178 119.911 118.700 0.055 0.000 2.235 23 N HA 0.222 4.966 4.740 0.007 0.000 0.209 23 N C 1.104 176.630 175.510 0.027 0.000 1.122 23 N CA 0.650 53.720 53.050 0.034 0.000 0.845 23 N CB 0.503 39.003 38.487 0.021 0.000 1.004 23 N HN 0.644 nan 8.380 nan 0.000 0.499 24 G N 1.338 110.159 108.800 0.034 0.000 2.153 24 G HA2 -0.276 3.688 3.960 0.007 0.000 0.252 24 G HA3 -0.276 3.688 3.960 0.007 0.000 0.252 24 G C -0.014 174.873 174.900 -0.021 0.000 0.994 24 G CA -0.008 45.108 45.100 0.027 0.000 0.698 24 G HN 0.167 nan 8.290 nan 0.000 0.521 25 R N 0.533 121.002 120.500 -0.052 0.000 2.474 25 R HA 0.498 4.842 4.340 0.007 0.000 0.295 25 R C 0.496 176.695 176.300 -0.168 0.000 0.980 25 R CA -0.527 55.520 56.100 -0.088 0.000 0.934 25 R CB 1.126 31.381 30.300 -0.075 0.000 1.101 25 R HN 0.741 nan 8.270 nan 0.000 0.469 26 E N 2.687 122.781 120.200 -0.176 0.000 2.283 26 E HA 0.326 4.680 4.350 0.007 0.000 0.278 26 E C -0.522 175.906 176.600 -0.286 0.000 1.027 26 E CA -0.516 55.738 56.400 -0.244 0.000 0.843 26 E CB 1.114 30.709 29.700 -0.176 0.000 1.062 26 E HN 0.249 nan 8.360 nan 0.000 0.401 27 R N 2.207 122.434 120.500 -0.456 0.000 2.799 27 R HA 0.522 4.866 4.340 0.007 0.000 0.270 27 R C -1.098 175.005 176.300 -0.329 0.000 1.010 27 R CA -0.995 54.824 56.100 -0.468 0.000 0.916 27 R CB 2.321 32.126 30.300 -0.826 0.000 1.228 27 R HN 0.704 nan 8.270 nan 0.000 0.469 28 T N 2.140 116.650 114.554 -0.073 0.000 2.921 28 T HA 0.521 4.875 4.350 0.007 0.000 0.297 28 T C -0.821 174.019 174.700 0.233 0.000 1.013 28 T CA -0.853 61.337 62.100 0.150 0.000 0.990 28 T CB 1.753 70.708 68.868 0.145 0.000 1.023 28 T HN 0.566 nan 8.240 nan 0.000 0.447 29 R N 1.381 122.060 120.500 0.299 0.000 2.771 29 R HA 0.725 5.069 4.340 0.007 0.000 0.274 29 R C -1.141 175.160 176.300 0.002 0.000 0.987 29 R CA -1.160 55.046 56.100 0.177 0.000 0.908 29 R CB 2.096 32.519 30.300 0.206 0.000 1.213 29 R HN 0.540 nan 8.270 nan 0.000 0.468 30 E N 2.172 122.289 120.200 -0.138 0.000 2.145 30 E HA 0.362 4.716 4.350 0.007 0.000 0.270 30 E C -1.359 175.048 176.600 -0.321 0.000 0.906 30 E CA -0.901 55.219 56.400 -0.466 0.000 0.761 30 E CB 1.892 31.219 29.700 -0.621 0.000 1.116 30 E HN 0.414 nan 8.360 nan 0.000 0.408 31 V N 4.245 123.943 119.914 -0.360 0.000 2.409 31 V HA 0.171 4.295 4.120 0.007 0.000 0.291 31 V C -0.394 175.596 176.094 -0.173 0.000 1.020 31 V CA -0.903 61.281 62.300 -0.192 0.000 0.848 31 V CB 1.532 33.288 31.823 -0.111 0.000 0.990 31 V HN 0.761 nan 8.190 nan 0.000 0.430 32 E N 3.724 123.860 120.200 -0.107 0.000 1.833 32 E HA 0.068 4.422 4.350 0.007 0.000 0.258 32 E C -0.649 175.943 176.600 -0.013 0.000 1.257 32 E CA 0.066 56.416 56.400 -0.083 0.000 1.003 32 E CB -0.305 29.348 29.700 -0.079 0.000 1.068 32 E HN 0.487 nan 8.360 nan 0.000 0.422 33 Y N 2.922 123.131 120.300 -0.152 0.000 2.465 33 Y HA 0.092 4.645 4.550 0.005 0.000 0.331 33 Y C -0.001 175.827 175.900 -0.121 0.000 1.102 33 Y CA -0.416 57.626 58.100 -0.096 0.000 1.358 33 Y CB 0.577 38.988 38.460 -0.082 0.000 1.213 33 Y HN 0.131 nan 8.280 nan 0.000 0.525 34 K N 9.557 129.575 120.400 -0.637 0.000 2.257 34 K HA 0.263 4.587 4.320 0.007 0.000 0.270 34 K C -2.544 173.493 176.600 -0.939 0.000 1.098 34 K CA -1.659 54.263 56.287 -0.607 0.000 0.943 34 K CB 0.677 32.983 32.500 -0.324 0.000 1.316 34 K HN 0.509 nan 8.250 nan 0.000 0.447 35 P HA 0.170 nan 4.420 nan 0.000 0.277 35 P C -0.529 176.649 177.300 -0.203 0.000 1.271 35 P CA -0.565 62.197 63.100 -0.563 0.000 0.795 35 P CB 1.048 32.427 31.700 -0.535 0.000 1.101 36 S N -0.246 115.416 115.700 -0.065 0.000 2.571 36 S HA 0.623 5.097 4.470 0.007 0.000 0.284 36 S C -0.347 174.150 174.600 -0.171 0.000 1.128 36 S CA -0.505 57.563 58.200 -0.220 0.000 0.970 36 S CB 0.471 63.467 63.200 -0.339 0.000 1.039 36 S HN 0.276 nan 8.310 nan 0.000 0.485 37 L N 1.995 123.038 121.223 -0.301 0.000 2.183 37 L HA 0.787 5.131 4.340 0.007 0.000 0.253 37 L C -1.481 175.030 176.870 -0.599 0.000 1.048 37 L CA -0.906 53.853 54.840 -0.135 0.000 0.890 37 L CB 1.247 43.477 42.059 0.285 0.000 1.476 37 L HN 0.545 nan 8.230 nan 0.000 0.455 38 F N -0.296 119.702 119.950 0.082 0.000 2.613 38 F HA 0.769 5.299 4.527 0.005 0.000 0.310 38 F C -0.090 175.807 175.800 0.162 0.000 1.085 38 F CA -0.636 57.379 58.000 0.025 0.000 0.945 38 F CB 2.040 41.020 39.000 -0.033 0.000 1.298 38 F HN 0.364 nan 8.300 nan 0.000 0.455 39 A N 0.379 123.368 122.820 0.282 0.000 2.454 39 A HA 0.686 5.010 4.320 0.007 0.000 0.302 39 A C -1.344 176.304 177.584 0.107 0.000 1.079 39 A CA -0.780 51.355 52.037 0.164 0.000 0.731 39 A CB 0.822 19.978 19.000 0.260 0.000 1.299 39 A HN 0.734 nan 8.150 nan 0.000 0.413 40 H N 0.187 119.344 119.070 0.146 0.000 2.964 40 H HA 0.283 4.843 4.556 0.006 0.000 0.328 40 H C 0.632 176.011 175.328 0.086 0.000 1.030 40 H CA 0.449 56.558 56.048 0.101 0.000 1.445 40 H CB 0.286 30.091 29.762 0.072 0.000 1.449 40 H HN 0.868 nan 8.280 nan 0.000 0.581 41 C N 3.412 122.827 119.300 0.193 0.000 2.562 41 C HA 0.638 5.102 4.460 0.007 0.000 0.332 41 C C -2.337 172.708 174.990 0.091 0.000 1.201 41 C CA -2.412 56.676 59.018 0.117 0.000 1.803 41 C CB 1.430 29.220 27.740 0.083 0.000 2.328 41 C HN 0.496 nan 8.230 nan 0.000 0.500 42 P HA 0.097 nan 4.420 nan 0.000 0.267 42 P C 0.805 178.135 177.300 0.049 0.000 1.201 42 P CA 0.403 63.533 63.100 0.051 0.000 0.775 42 P CB 0.433 32.157 31.700 0.040 0.000 0.854 43 E N 0.962 121.191 120.200 0.048 0.000 2.068 43 E HA -0.267 4.087 4.350 0.007 0.000 0.207 43 E C 1.975 178.606 176.600 0.053 0.000 1.032 43 E CA 2.279 58.713 56.400 0.057 0.000 0.839 43 E CB -0.494 29.236 29.700 0.051 0.000 0.758 43 E HN 0.625 nan 8.360 nan 0.000 0.457 44 S N 1.171 116.895 115.700 0.040 0.000 2.365 44 S HA -0.246 4.228 4.470 0.007 0.000 0.225 44 S C 1.872 176.489 174.600 0.029 0.000 1.039 44 S CA 1.057 59.277 58.200 0.033 0.000 1.033 44 S CB -0.396 62.820 63.200 0.026 0.000 0.887 44 S HN 0.195 nan 8.310 nan 0.000 0.447 45 Q N 1.622 121.439 119.800 0.027 0.000 2.576 45 Q HA 0.147 4.491 4.340 0.007 0.000 0.218 45 Q C 0.867 176.874 176.000 0.010 0.000 0.983 45 Q CA 0.716 56.532 55.803 0.021 0.000 0.920 45 Q CB -0.797 27.957 28.738 0.028 0.000 0.973 45 Q HN 0.782 nan 8.270 nan 0.000 0.528 46 A N 1.040 123.866 122.820 0.011 0.000 2.511 46 A HA 0.212 4.536 4.320 0.007 0.000 0.242 46 A C 0.985 178.552 177.584 -0.028 0.000 1.069 46 A CA 0.613 52.638 52.037 -0.021 0.000 0.763 46 A CB 0.245 19.275 19.000 0.050 0.000 1.001 46 A HN 0.382 nan 8.150 nan 0.000 0.498 47 T N -0.498 113.993 114.554 -0.105 0.000 1.603 47 T HA 0.389 4.743 4.350 0.007 0.000 0.175 47 T C 0.760 175.380 174.700 -0.133 0.000 0.690 47 T CA 0.365 62.417 62.100 -0.080 0.000 1.052 47 T CB 0.098 68.935 68.868 -0.051 0.000 3.292 47 T HN 0.641 nan 8.240 nan 0.000 0.411 48 K N -0.429 119.832 120.400 -0.230 0.000 2.438 48 K HA 0.378 4.702 4.320 0.007 0.000 0.206 48 K C -0.900 175.455 176.600 -0.409 0.000 1.081 48 K CA -0.563 55.573 56.287 -0.252 0.000 1.053 48 K CB -0.075 32.251 32.500 -0.290 0.000 0.908 48 K HN 0.564 nan 8.250 nan 0.000 0.556 49 Y N 0.688 120.840 120.300 -0.247 0.000 2.330 49 Y HA 0.511 5.065 4.550 0.007 0.000 0.336 49 Y C -0.578 175.004 175.900 -0.530 0.000 1.036 49 Y CA -1.141 56.818 58.100 -0.234 0.000 1.125 49 Y CB 0.931 39.322 38.460 -0.115 0.000 1.194 49 Y HN -0.165 nan 8.280 nan 0.000 0.469 50 F N 1.283 121.309 119.950 0.128 0.000 2.603 50 F HA 0.307 4.837 4.527 0.004 0.000 0.317 50 F C -0.289 175.559 175.800 0.080 0.000 1.066 50 F CA -1.309 56.751 58.000 0.100 0.000 0.941 50 F CB 1.481 40.522 39.000 0.068 0.000 1.291 50 F HN 0.463 nan 8.300 nan 0.000 0.472 51 D N 0.650 121.250 120.400 0.333 0.000 2.432 51 D HA 0.193 4.837 4.640 0.007 0.000 0.258 51 D C 1.115 177.549 176.300 0.223 0.000 1.146 51 D CA -0.540 53.623 54.000 0.271 0.000 1.015 51 D CB 0.609 41.622 40.800 0.355 0.000 1.107 51 D HN 0.609 nan 8.370 nan 0.000 0.529 52 I N -2.696 117.956 120.570 0.136 0.000 2.700 52 I HA -0.154 4.020 4.170 0.007 0.000 0.261 52 I C 0.847 176.853 176.117 -0.184 0.000 1.219 52 I CA 0.764 62.030 61.300 -0.057 0.000 1.463 52 I CB -0.660 37.258 38.000 -0.136 0.000 1.092 52 I HN 0.196 nan 8.210 nan 0.000 0.452 53 Y N 2.284 122.632 120.300 0.080 0.000 2.490 53 Y HA 0.365 4.919 4.550 0.007 0.000 0.281 53 Y C 1.909 177.820 175.900 0.018 0.000 1.174 53 Y CA 0.326 58.450 58.100 0.039 0.000 1.295 53 Y CB -0.041 38.444 38.460 0.041 0.000 1.062 53 Y HN 0.382 nan 8.280 nan 0.000 0.522 54 G N 0.787 109.677 108.800 0.151 0.000 2.182 54 G HA2 -0.306 3.658 3.960 0.007 0.000 0.248 54 G HA3 -0.306 3.658 3.960 0.007 0.000 0.248 54 G C -0.112 174.928 174.900 0.233 0.000 1.042 54 G CA -0.141 45.009 45.100 0.083 0.000 0.775 54 G HN 0.251 nan 8.290 nan 0.000 0.501 55 K N 0.928 121.534 120.400 0.342 0.000 2.182 55 K HA 0.617 4.941 4.320 0.007 0.000 0.262 55 K C -2.160 174.669 176.600 0.382 0.000 0.957 55 K CA -2.231 54.240 56.287 0.306 0.000 0.842 55 K CB 2.191 34.755 32.500 0.106 0.000 1.099 55 K HN 0.044 nan 8.250 nan 0.000 0.438 56 P HA 0.161 nan 4.420 nan 0.000 0.275 56 P C -0.721 176.608 177.300 0.048 0.000 1.227 56 P CA -0.441 62.599 63.100 -0.101 0.000 0.781 56 P CB 0.755 32.399 31.700 -0.095 0.000 0.906 57 C N 1.334 120.633 119.300 -0.002 0.000 2.779 57 C HA 0.732 5.196 4.460 0.007 0.000 0.314 57 C C 0.390 175.491 174.990 0.185 0.000 1.231 57 C CA -0.162 58.946 59.018 0.151 0.000 1.652 57 C CB 2.096 29.938 27.740 0.170 0.000 2.198 57 C HN 0.614 nan 8.230 nan 0.000 0.483 58 T N 0.940 115.618 114.554 0.207 0.000 2.863 58 T HA 0.490 4.844 4.350 0.007 0.000 0.285 58 T C -0.648 174.087 174.700 0.057 0.000 1.009 58 T CA -0.469 61.725 62.100 0.157 0.000 0.989 58 T CB 0.767 69.674 68.868 0.065 0.000 1.004 58 T HN 0.738 nan 8.240 nan 0.000 0.455 59 R N 3.274 123.718 120.500 -0.093 0.000 2.234 59 R HA 0.360 4.704 4.340 0.007 0.000 0.324 59 R C -0.362 175.606 176.300 -0.552 0.000 1.054 59 R CA -0.486 55.240 56.100 -0.623 0.000 0.912 59 R CB 0.441 30.411 30.300 -0.550 0.000 1.030 59 R HN 0.609 nan 8.270 nan 0.000 0.455 60 K N 5.451 125.400 120.400 -0.751 0.000 2.307 60 K HA 0.218 4.542 4.320 0.007 0.000 0.263 60 K C -1.261 174.696 176.600 -1.072 0.000 0.973 60 K CA -0.730 55.049 56.287 -0.846 0.000 0.846 60 K CB 1.052 32.957 32.500 -0.992 0.000 1.100 60 K HN 0.392 nan 8.250 nan 0.000 0.438 61 L N 4.878 125.573 121.223 -0.880 0.000 2.325 61 L HA 0.537 4.881 4.340 0.007 0.000 0.279 61 L C -1.575 174.768 176.870 -0.878 0.000 1.054 61 L CA 0.033 54.439 54.840 -0.724 0.000 0.804 61 L CB 0.597 42.402 42.059 -0.423 0.000 1.200 61 L HN 0.609 nan 8.230 nan 0.000 0.436 62 F N 3.020 122.748 119.950 -0.370 0.000 2.508 62 F HA 0.556 5.087 4.527 0.006 0.000 0.325 62 F C 1.180 176.807 175.800 -0.289 0.000 1.090 62 F CA -0.229 57.570 58.000 -0.336 0.000 0.945 62 F CB 1.880 40.660 39.000 -0.366 0.000 1.156 62 F HN 0.662 nan 8.300 nan 0.000 0.463 63 A N 2.363 125.165 122.820 -0.030 0.000 1.940 63 A HA -0.097 4.227 4.320 0.007 0.000 0.219 63 A C 0.390 177.908 177.584 -0.111 0.000 1.176 63 A CA 2.141 54.130 52.037 -0.080 0.000 0.631 63 A CB -0.876 18.088 19.000 -0.059 0.000 0.814 63 A HN 0.886 nan 8.150 nan 0.000 0.446 64 N N -4.706 113.921 118.700 -0.122 0.000 3.020 64 N HA 0.397 5.141 4.740 0.007 0.000 0.248 64 N C -0.085 175.238 175.510 -0.311 0.000 1.480 64 N CA -0.464 52.469 53.050 -0.194 0.000 0.874 64 N CB 0.192 38.595 38.487 -0.140 0.000 1.433 64 N HN -0.072 nan 8.380 nan 0.000 0.530 65 M N -0.913 118.466 119.600 -0.368 0.000 2.319 65 M HA 0.040 4.524 4.480 0.007 0.000 0.265 65 M C 1.913 178.004 176.300 -0.348 0.000 1.068 65 M CA 1.160 56.109 55.300 -0.584 0.000 1.118 65 M CB -0.240 32.074 32.600 -0.477 0.000 1.395 65 M HN 0.675 nan 8.290 nan 0.000 0.435 66 R N 1.121 121.505 120.500 -0.193 0.000 2.066 66 R HA -0.123 4.221 4.340 0.007 0.000 0.232 66 R C 1.291 177.511 176.300 -0.134 0.000 1.131 66 R CA 2.005 58.041 56.100 -0.107 0.000 0.955 66 R CB -0.662 29.598 30.300 -0.067 0.000 0.851 66 R HN 0.158 nan 8.270 nan 0.000 0.432 67 D N 0.251 120.550 120.400 -0.168 0.000 2.158 67 D HA -0.147 4.497 4.640 0.007 0.000 0.197 67 D C 1.657 177.684 176.300 -0.455 0.000 0.995 67 D CA 1.930 55.825 54.000 -0.174 0.000 0.846 67 D CB -0.340 40.417 40.800 -0.071 0.000 0.941 67 D HN 0.449 nan 8.370 nan 0.000 0.456 68 A N 0.320 122.665 122.820 -0.791 0.000 1.929 68 A HA -0.111 4.213 4.320 0.007 0.000 0.216 68 A C 2.283 179.656 177.584 -0.352 0.000 1.176 68 A CA 1.991 53.248 52.037 -1.300 0.000 0.628 68 A CB -0.555 17.781 19.000 -1.107 0.000 0.816 68 A HN 0.319 nan 8.150 nan 0.000 0.444 69 S N -1.058 114.599 115.700 -0.072 0.000 2.395 69 S HA -0.143 4.331 4.470 0.007 0.000 0.225 69 S C 1.863 176.480 174.600 0.028 0.000 1.027 69 S CA 1.051 59.306 58.200 0.092 0.000 0.965 69 S CB -0.414 62.887 63.200 0.167 0.000 0.812 69 S HN 0.509 nan 8.310 nan 0.000 0.482 70 Q N -0.407 119.390 119.800 -0.006 0.000 2.291 70 Q HA -0.077 4.267 4.340 0.007 0.000 0.206 70 Q C 1.573 177.610 176.000 0.062 0.000 0.976 70 Q CA 1.113 56.924 55.803 0.014 0.000 0.875 70 Q CB -0.290 28.453 28.738 0.009 0.000 0.927 70 Q HN 0.893 nan 8.270 nan 0.000 0.450 71 W N 0.887 122.106 121.300 -0.134 0.000 2.453 71 W HA -0.031 4.633 4.660 0.008 0.000 0.289 71 W C 1.713 178.215 176.519 -0.028 0.000 1.215 71 W CA 0.627 57.940 57.345 -0.054 0.000 1.297 71 W CB -0.254 29.182 29.460 -0.040 0.000 1.113 71 W HN -0.028 nan 8.180 nan 0.000 0.551 72 I N 0.995 121.607 120.570 0.070 0.000 2.118 72 I HA -0.402 3.772 4.170 0.007 0.000 0.241 72 I C 2.775 178.789 176.117 -0.171 0.000 1.070 72 I CA 1.797 63.044 61.300 -0.089 0.000 1.327 72 I CB -0.787 37.231 38.000 0.030 0.000 1.034 72 I HN -0.098 nan 8.210 nan 0.000 0.405 73 K N 1.632 121.980 120.400 -0.088 0.000 2.034 73 K HA -0.238 4.086 4.320 0.007 0.000 0.214 73 K C 2.142 178.669 176.600 -0.122 0.000 1.051 73 K CA 2.192 58.429 56.287 -0.083 0.000 0.931 73 K CB -0.161 32.314 32.500 -0.040 0.000 0.715 73 K HN 0.450 nan 8.250 nan 0.000 0.446 74 R N -0.628 119.784 120.500 -0.146 0.000 2.275 74 R HA 0.065 4.409 4.340 0.007 0.000 0.199 74 R C 2.242 178.396 176.300 -0.244 0.000 0.989 74 R CA 0.418 56.423 56.100 -0.159 0.000 1.016 74 R CB -0.150 30.091 30.300 -0.098 0.000 0.918 74 R HN 0.104 nan 8.270 nan 0.000 0.473 75 M N 1.361 120.714 119.600 -0.410 0.000 2.123 75 M HA -0.064 4.420 4.480 0.007 0.000 0.263 75 M C 1.847 177.989 176.300 -0.264 0.000 1.069 75 M CA 1.605 56.642 55.300 -0.439 0.000 1.133 75 M CB -0.540 31.616 32.600 -0.741 0.000 1.356 75 M HN 0.142 nan 8.290 nan 0.000 0.415 76 E N 0.696 120.757 120.200 -0.231 0.000 2.086 76 E HA -0.266 4.088 4.350 0.007 0.000 0.200 76 E C 1.611 178.139 176.600 -0.120 0.000 1.012 76 E CA 2.139 58.447 56.400 -0.152 0.000 0.812 76 E CB -0.094 29.529 29.700 -0.128 0.000 0.743 76 E HN 0.397 nan 8.360 nan 0.000 0.453 77 D N -0.407 119.923 120.400 -0.116 0.000 2.117 77 D HA -0.118 4.526 4.640 0.007 0.000 0.198 77 D C 1.754 178.006 176.300 -0.080 0.000 0.982 77 D CA 0.740 54.689 54.000 -0.085 0.000 0.828 77 D CB -0.061 40.695 40.800 -0.074 0.000 0.967 77 D HN 0.190 nan 8.370 nan 0.000 0.464 78 I N -0.774 119.738 120.570 -0.096 0.000 2.928 78 I HA 0.132 4.306 4.170 0.007 0.000 0.266 78 I C 1.336 177.409 176.117 -0.073 0.000 1.234 78 I CA 1.030 62.283 61.300 -0.079 0.000 1.483 78 I CB 0.236 38.187 38.000 -0.081 0.000 1.097 78 I HN 0.301 nan 8.210 nan 0.000 0.455 79 G N 0.581 109.329 108.800 -0.088 0.000 2.141 79 G HA2 -0.187 3.777 3.960 0.007 0.000 0.195 79 G HA3 -0.187 3.777 3.960 0.007 0.000 0.195 79 G C -0.065 174.796 174.900 -0.066 0.000 1.012 79 G CA -0.250 44.808 45.100 -0.071 0.000 0.696 79 G HN 0.226 nan 8.290 nan 0.000 0.508 80 L N 0.411 121.575 121.223 -0.098 0.000 2.346 80 L HA 0.510 4.854 4.340 0.007 0.000 0.276 80 L C 0.702 177.492 176.870 -0.134 0.000 1.006 80 L CA -0.880 53.907 54.840 -0.088 0.000 0.817 80 L CB 1.783 43.785 42.059 -0.096 0.000 1.272 80 L HN 0.207 nan 8.230 nan 0.000 0.421 81 E N 1.806 121.948 120.200 -0.097 0.000 2.415 81 E HA 0.224 4.578 4.350 0.007 0.000 0.263 81 E C -0.518 175.978 176.600 -0.174 0.000 0.995 81 E CA -0.285 56.040 56.400 -0.126 0.000 0.915 81 E CB 1.036 30.665 29.700 -0.119 0.000 0.951 81 E HN 0.606 nan 8.360 nan 0.000 0.449 82 A N 5.592 128.326 122.820 -0.144 0.000 2.412 82 A HA 0.332 4.656 4.320 0.007 0.000 0.334 82 A C -0.714 176.924 177.584 0.091 0.000 1.419 82 A CA -0.577 51.425 52.037 -0.058 0.000 0.930 82 A CB 0.080 18.975 19.000 -0.176 0.000 1.149 82 A HN 0.457 nan 8.150 nan 0.000 0.515 83 L N 1.723 123.043 121.223 0.162 0.000 2.454 83 L HA 0.809 5.153 4.340 0.007 0.000 0.256 83 L C 1.057 178.117 176.870 0.318 0.000 1.136 83 L CA 1.217 56.166 54.840 0.182 0.000 0.804 83 L CB 0.728 42.872 42.059 0.143 0.000 1.181 83 L HN 1.161 nan 8.230 nan 0.000 0.469 84 G N 0.962 109.927 108.800 0.275 0.000 2.555 84 G HA2 0.046 4.010 3.960 0.007 0.000 0.686 84 G HA3 0.046 4.010 3.960 0.007 0.000 0.686 84 G C -1.070 173.908 174.900 0.130 0.000 1.275 84 G CA -0.585 44.721 45.100 0.345 0.000 0.871 84 G HN 0.607 nan 8.290 nan 0.000 0.603 85 M N 1.829 121.448 119.600 0.031 0.000 2.220 85 M HA 0.421 4.905 4.480 0.007 0.000 0.343 85 M C 1.212 177.371 176.300 -0.236 0.000 1.470 85 M CA -0.640 54.489 55.300 -0.285 0.000 1.161 85 M CB 0.534 32.605 32.600 -0.883 0.000 1.737 85 M HN 0.595 nan 8.290 nan 0.000 0.464 86 D N 1.410 121.637 120.400 -0.289 0.000 2.339 86 D HA 0.012 4.656 4.640 0.007 0.000 0.217 86 D C -0.410 175.402 176.300 -0.814 0.000 1.050 86 D CA 0.205 53.915 54.000 -0.484 0.000 0.856 86 D CB -0.254 40.390 40.800 -0.260 0.000 0.922 86 D HN 0.555 nan 8.370 nan 0.000 0.518 87 D N 0.027 120.099 120.400 -0.547 0.000 2.456 87 D HA 0.060 4.704 4.640 0.007 0.000 0.219 87 D C 0.284 176.405 176.300 -0.299 0.000 1.126 87 D CA -0.648 53.105 54.000 -0.411 0.000 0.890 87 D CB 0.067 40.749 40.800 -0.197 0.000 1.025 87 D HN -0.153 nan 8.370 nan 0.000 0.511 88 F N 2.642 122.609 119.950 0.027 0.000 2.186 88 F HA -0.064 4.467 4.527 0.005 0.000 0.299 88 F C 2.232 178.062 175.800 0.051 0.000 1.090 88 F CA 0.697 58.759 58.000 0.103 0.000 1.307 88 F CB -0.411 38.688 39.000 0.164 0.000 1.019 88 F HN 0.315 nan 8.300 nan 0.000 0.489 89 K N 0.429 120.911 120.400 0.136 0.000 2.163 89 K HA -0.229 4.095 4.320 0.007 0.000 0.210 89 K C 1.941 178.579 176.600 0.064 0.000 1.048 89 K CA 1.746 58.059 56.287 0.045 0.000 0.928 89 K CB -0.641 31.869 32.500 0.016 0.000 0.716 89 K HN 0.333 nan 8.250 nan 0.000 0.459 90 L N -0.260 120.996 121.223 0.055 0.000 2.209 90 L HA -0.013 4.331 4.340 0.007 0.000 0.207 90 L C 2.549 179.536 176.870 0.195 0.000 1.094 90 L CA 0.588 55.474 54.840 0.078 0.000 0.790 90 L CB -0.413 41.653 42.059 0.013 0.000 0.932 90 L HN 0.205 nan 8.230 nan 0.000 0.447 91 A N -0.562 122.369 122.820 0.185 0.000 1.929 91 A HA -0.244 4.080 4.320 0.007 0.000 0.216 91 A C 2.151 179.883 177.584 0.245 0.000 1.176 91 A CA 0.992 53.248 52.037 0.365 0.000 0.628 91 A CB -0.683 18.578 19.000 0.436 0.000 0.816 91 A HN 0.434 nan 8.150 nan 0.000 0.444 92 Y N 0.724 120.922 120.300 -0.170 0.000 2.097 92 Y HA -0.213 4.344 4.550 0.011 0.000 0.282 92 Y C 1.981 177.760 175.900 -0.202 0.000 1.152 92 Y CA 2.030 59.808 58.100 -0.537 0.000 1.136 92 Y CB -0.295 37.703 38.460 -0.771 0.000 0.975 92 Y HN 0.209 nan 8.280 nan 0.000 0.498 93 L N -0.445 120.752 121.223 -0.043 0.000 2.042 93 L HA -0.268 4.076 4.340 0.007 0.000 0.210 93 L C 2.845 179.708 176.870 -0.011 0.000 1.076 93 L CA 1.820 56.638 54.840 -0.037 0.000 0.749 93 L CB -0.939 41.061 42.059 -0.098 0.000 0.893 93 L HN 0.353 nan 8.230 nan 0.000 0.432 94 S N -0.680 115.050 115.700 0.051 0.000 2.402 94 S HA -0.188 4.286 4.470 0.007 0.000 0.229 94 S C 1.599 176.172 174.600 -0.045 0.000 1.021 94 S CA 1.474 59.700 58.200 0.042 0.000 0.974 94 S CB -0.173 63.115 63.200 0.147 0.000 0.800 94 S HN 0.373 nan 8.310 nan 0.000 0.484 95 D N 0.664 121.019 120.400 -0.076 0.000 2.194 95 D HA 0.049 4.693 4.640 0.007 0.000 0.204 95 D C 1.809 177.924 176.300 -0.310 0.000 0.964 95 D CA 1.358 55.287 54.000 -0.120 0.000 0.846 95 D CB -0.423 40.360 40.800 -0.027 0.000 0.962 95 D HN 0.481 nan 8.370 nan 0.000 0.490 96 T N -1.087 113.129 114.554 -0.564 0.000 3.067 96 T HA -0.009 4.345 4.350 0.007 0.000 0.257 96 T C 0.329 174.385 174.700 -1.074 0.000 1.105 96 T CA 0.397 61.976 62.100 -0.869 0.000 1.104 96 T CB 0.093 68.197 68.868 -1.273 0.000 0.925 96 T HN 0.165 nan 8.240 nan 0.000 0.498 97 Y N 1.445 121.545 120.300 -0.333 0.000 2.495 97 Y HA 0.368 4.921 4.550 0.005 0.000 0.362 97 Y C 0.728 176.251 175.900 -0.628 0.000 0.956 97 Y CA -0.953 56.789 58.100 -0.596 0.000 1.127 97 Y CB -0.118 38.129 38.460 -0.356 0.000 1.173 97 Y HN 0.060 nan 8.280 nan 0.000 0.639 98 N N 2.347 120.832 118.700 -0.359 0.000 2.926 98 N HA 0.018 4.762 4.740 0.007 0.000 0.284 98 N C -1.257 174.271 175.510 0.030 0.000 1.303 98 N CA 0.313 53.292 53.050 -0.118 0.000 1.062 98 N CB -0.050 38.434 38.487 -0.005 0.000 1.389 98 N HN 0.581 nan 8.380 nan 0.000 0.538 99 Y N -2.857 117.504 120.300 0.101 0.000 2.788 99 Y HA 0.360 4.914 4.550 0.006 0.000 0.335 99 Y C -0.727 175.235 175.900 0.104 0.000 1.287 99 Y CA -1.363 56.791 58.100 0.090 0.000 1.068 99 Y CB 0.469 38.985 38.460 0.093 0.000 1.340 99 Y HN -0.197 nan 8.280 nan 0.000 0.449 100 E N 1.300 121.704 120.200 0.339 0.000 2.324 100 E HA 0.284 4.638 4.350 0.007 0.000 0.271 100 E C -0.911 175.901 176.600 0.353 0.000 1.028 100 E CA -0.160 56.393 56.400 0.255 0.000 0.890 100 E CB 0.585 30.410 29.700 0.208 0.000 1.004 100 E HN 0.438 nan 8.360 nan 0.000 0.431 101 I N 4.625 125.344 120.570 0.248 0.000 2.379 101 I HA 0.040 4.214 4.170 0.007 0.000 0.290 101 I C -0.085 176.089 176.117 0.096 0.000 1.063 101 I CA -0.135 61.289 61.300 0.208 0.000 1.351 101 I CB 0.438 38.491 38.000 0.089 0.000 1.410 101 I HN 0.177 nan 8.210 nan 0.000 0.505 102 K N 7.524 127.933 120.400 0.015 0.000 2.292 102 K HA 0.300 4.624 4.320 0.007 0.000 0.270 102 K C -0.792 175.537 176.600 -0.451 0.000 1.062 102 K CA -0.392 55.787 56.287 -0.180 0.000 0.916 102 K CB 0.434 32.860 32.500 -0.123 0.000 1.166 102 K HN 0.311 nan 8.250 nan 0.000 0.458 103 Y N -0.985 118.834 120.300 -0.802 0.000 2.403 103 Y HA 0.665 5.219 4.550 0.006 0.000 0.323 103 Y C -0.141 175.254 175.900 -0.842 0.000 1.226 103 Y CA -1.601 55.585 58.100 -1.523 0.000 1.235 103 Y CB 0.962 38.443 38.460 -1.631 0.000 1.248 103 Y HN 0.359 nan 8.280 nan 0.000 0.489 104 D N 0.044 120.068 120.400 -0.628 0.000 2.453 104 D HA 0.122 4.766 4.640 0.007 0.000 0.238 104 D C 0.355 176.743 176.300 0.147 0.000 1.088 104 D CA -0.431 53.504 54.000 -0.108 0.000 0.854 104 D CB 0.380 41.205 40.800 0.043 0.000 1.076 104 D HN 0.858 nan 8.370 nan 0.000 0.533 105 H N 1.843 120.973 119.070 0.099 0.000 2.422 105 H HA -0.151 4.408 4.556 0.006 0.000 0.298 105 H C 1.747 177.167 175.328 0.153 0.000 1.098 105 H CA 2.413 58.572 56.048 0.185 0.000 1.315 105 H CB 0.596 30.456 29.762 0.164 0.000 1.382 105 H HN 0.445 nan 8.280 nan 0.000 0.523 106 T N -2.677 112.037 114.554 0.267 0.000 3.113 106 T HA -0.010 4.344 4.350 0.007 0.000 0.263 106 T C 1.641 176.429 174.700 0.147 0.000 1.143 106 T CA 0.847 63.065 62.100 0.197 0.000 1.090 106 T CB 0.036 68.981 68.868 0.127 0.000 0.922 106 T HN 0.166 nan 8.240 nan 0.000 0.521 107 K N 0.015 120.518 120.400 0.171 0.000 2.355 107 K HA 0.448 4.772 4.320 0.007 0.000 0.198 107 K C 0.066 176.735 176.600 0.116 0.000 1.039 107 K CA -0.056 56.318 56.287 0.146 0.000 1.075 107 K CB 0.435 33.064 32.500 0.215 0.000 0.870 107 K HN 0.461 nan 8.250 nan 0.000 0.540 108 I N 1.925 122.563 120.570 0.115 0.000 2.304 108 I HA 0.195 4.369 4.170 0.007 0.000 0.291 108 I C 0.034 176.154 176.117 0.006 0.000 1.018 108 I CA -0.686 60.648 61.300 0.057 0.000 1.260 108 I CB 1.221 39.235 38.000 0.022 0.000 1.390 108 I HN -0.037 nan 8.210 nan 0.000 0.475 109 R N 6.550 127.042 120.500 -0.012 0.000 2.309 109 R HA 0.252 4.596 4.340 0.007 0.000 0.331 109 R C -0.826 175.462 176.300 -0.020 0.000 1.116 109 R CA -0.169 55.911 56.100 -0.034 0.000 0.970 109 R CB 0.585 30.829 30.300 -0.093 0.000 1.024 109 R HN 0.542 nan 8.270 nan 0.000 0.472 110 V N 4.277 124.210 119.914 0.032 0.000 2.350 110 V HA 0.656 4.780 4.120 0.007 0.000 0.276 110 V C -0.451 175.702 176.094 0.099 0.000 1.028 110 V CA -0.422 61.926 62.300 0.079 0.000 0.860 110 V CB 1.170 33.078 31.823 0.143 0.000 0.990 110 V HN 0.814 nan 8.190 nan 0.000 0.453 111 A N 5.768 128.619 122.820 0.052 0.000 2.305 111 A HA 0.614 4.938 4.320 0.007 0.000 0.322 111 A C -0.065 177.597 177.584 0.130 0.000 1.187 111 A CA -0.720 51.320 52.037 0.004 0.000 0.825 111 A CB 0.605 19.484 19.000 -0.201 0.000 1.164 111 A HN 0.869 nan 8.150 nan 0.000 0.498 112 N N 1.774 120.591 118.700 0.196 0.000 2.443 112 N HA 0.610 5.354 4.740 0.007 0.000 0.269 112 N C -1.703 174.022 175.510 0.359 0.000 0.985 112 N CA -0.039 53.192 53.050 0.303 0.000 0.921 112 N CB 1.385 40.041 38.487 0.281 0.000 1.195 112 N HN 0.580 nan 8.380 nan 0.000 0.492 113 F N 1.145 121.183 119.950 0.146 0.000 2.613 113 F HA 0.653 5.184 4.527 0.007 0.000 0.310 113 F C -1.274 174.672 175.800 0.243 0.000 1.085 113 F CA -1.298 56.822 58.000 0.200 0.000 0.945 113 F CB 1.389 40.521 39.000 0.220 0.000 1.298 113 F HN 0.204 nan 8.300 nan 0.000 0.455 114 D N 2.488 122.884 120.400 -0.007 0.000 2.547 114 D HA 0.722 5.366 4.640 0.007 0.000 0.231 114 D C -1.090 175.171 176.300 -0.066 0.000 1.099 114 D CA -0.483 53.432 54.000 -0.141 0.000 0.901 114 D CB 2.494 43.298 40.800 0.007 0.000 1.478 114 D HN 0.846 nan 8.370 nan 0.000 0.471 115 I N -1.833 118.703 120.570 -0.056 0.000 3.108 115 I HA 0.759 4.933 4.170 0.007 0.000 0.312 115 I C -1.164 174.958 176.117 0.008 0.000 1.095 115 I CA -0.743 60.568 61.300 0.019 0.000 1.000 115 I CB 2.346 40.373 38.000 0.045 0.000 1.229 115 I HN 0.101 nan 8.210 nan 0.000 0.454 116 E N 2.336 122.544 120.200 0.013 0.000 2.292 116 E HA 0.609 4.963 4.350 0.007 0.000 0.272 116 E C -1.526 175.117 176.600 0.073 0.000 0.881 116 E CA -0.661 55.731 56.400 -0.014 0.000 0.754 116 E CB 2.915 32.499 29.700 -0.192 0.000 1.201 116 E HN 0.530 nan 8.360 nan 0.000 0.425 117 V N 2.318 122.242 119.914 0.017 0.000 2.498 117 V HA 0.217 4.341 4.120 0.007 0.000 0.283 117 V C -0.122 175.924 176.094 -0.080 0.000 1.015 117 V CA -0.784 61.496 62.300 -0.033 0.000 0.867 117 V CB 1.708 33.389 31.823 -0.236 0.000 1.025 117 V HN 0.598 nan 8.190 nan 0.000 0.441 118 T N 3.058 117.595 114.554 -0.028 0.000 2.930 118 T HA 0.374 4.728 4.350 0.007 0.000 0.306 118 T C 0.312 174.739 174.700 -0.456 0.000 1.045 118 T CA 0.204 62.184 62.100 -0.201 0.000 1.134 118 T CB 1.021 69.774 68.868 -0.192 0.000 0.961 118 T HN 0.798 nan 8.240 nan 0.000 0.545 119 S N 3.111 118.442 115.700 -0.614 0.000 2.706 119 S HA 0.396 4.870 4.470 0.007 0.000 0.270 119 S C -2.201 172.062 174.600 -0.563 0.000 1.163 119 S CA -1.264 56.416 58.200 -0.868 0.000 1.042 119 S CB 1.590 64.281 63.200 -0.847 0.000 1.079 119 S HN 0.398 nan 8.310 nan 0.000 0.474 120 P HA 0.061 nan 4.420 nan 0.000 0.225 120 P C 0.146 177.380 177.300 -0.110 0.000 1.156 120 P CA 0.673 63.611 63.100 -0.270 0.000 0.787 120 P CB 0.004 31.583 31.700 -0.201 0.000 0.802 121 D N 0.157 120.526 120.400 -0.052 0.000 2.206 121 D HA 0.109 4.753 4.640 0.007 0.000 0.272 121 D C 1.415 177.728 176.300 0.020 0.000 1.196 121 D CA 0.041 54.069 54.000 0.047 0.000 1.012 121 D CB -0.450 40.455 40.800 0.175 0.000 1.139 121 D HN -0.027 nan 8.370 nan 0.000 0.522 122 G N -0.678 108.177 108.800 0.091 0.000 2.514 122 G HA2 0.188 4.152 3.960 0.007 0.000 0.245 122 G HA3 0.188 4.152 3.960 0.007 0.000 0.245 122 G C -0.458 174.521 174.900 0.132 0.000 1.488 122 G CA -0.521 44.650 45.100 0.119 0.000 1.063 122 G HN 0.251 nan 8.290 nan 0.000 0.557 123 F N 1.883 121.857 119.950 0.040 0.000 2.607 123 F HA 0.235 4.765 4.527 0.006 0.000 0.374 123 F C -1.117 174.781 175.800 0.163 0.000 1.104 123 F CA -1.182 56.850 58.000 0.053 0.000 1.296 123 F CB 0.776 39.802 39.000 0.043 0.000 1.085 123 F HN 0.057 nan 8.300 nan 0.000 0.584 124 P HA 0.001 nan 4.420 nan 0.000 0.271 124 P C -0.896 176.779 177.300 0.625 0.000 1.380 124 P CA -0.085 63.266 63.100 0.418 0.000 0.992 124 P CB 0.247 32.077 31.700 0.217 0.000 1.230 125 E N 4.978 125.484 120.200 0.509 0.000 2.415 125 E HA -0.002 4.352 4.350 0.007 0.000 0.260 125 E C -1.500 175.320 176.600 0.367 0.000 1.016 125 E CA -1.486 55.168 56.400 0.423 0.000 0.924 125 E CB 0.326 30.187 29.700 0.268 0.000 0.961 125 E HN 0.357 nan 8.360 nan 0.000 0.459 126 P HA -0.094 nan 4.420 nan 0.000 0.220 126 P C 1.287 178.574 177.300 -0.021 0.000 1.148 126 P CA 0.880 64.074 63.100 0.157 0.000 0.803 126 P CB 0.364 32.136 31.700 0.120 0.000 0.782 127 S N -1.646 114.082 115.700 0.045 0.000 2.527 127 S HA -0.033 4.441 4.470 0.007 0.000 0.222 127 S C 1.824 176.414 174.600 -0.017 0.000 0.985 127 S CA 0.638 58.843 58.200 0.009 0.000 0.921 127 S CB -0.493 62.729 63.200 0.038 0.000 0.772 127 S HN 0.079 nan 8.310 nan 0.000 0.529 128 Q N -0.207 119.588 119.800 -0.008 0.000 2.462 128 Q HA 0.361 4.705 4.340 0.007 0.000 0.224 128 Q C 0.851 176.784 176.000 -0.112 0.000 0.911 128 Q CA 0.647 56.427 55.803 -0.038 0.000 0.925 128 Q CB 0.398 29.137 28.738 0.001 0.000 1.063 128 Q HN 0.558 nan 8.270 nan 0.000 0.572 129 A N 2.053 124.790 122.820 -0.138 0.000 2.791 129 A HA -0.248 4.076 4.320 0.007 0.000 0.292 129 A C 0.917 178.399 177.584 -0.170 0.000 1.487 129 A CA 1.409 53.220 52.037 -0.377 0.000 0.760 129 A CB -1.969 16.582 19.000 -0.749 0.000 1.031 129 A HN 0.525 nan 8.150 nan 0.000 0.503 130 K N -0.737 119.612 120.400 -0.085 0.000 2.444 130 K HA 0.177 4.501 4.320 0.007 0.000 0.193 130 K C 0.344 176.862 176.600 -0.136 0.000 1.024 130 K CA 0.826 57.020 56.287 -0.153 0.000 1.077 130 K CB 0.003 32.378 32.500 -0.208 0.000 0.833 130 K HN 0.784 nan 8.250 nan 0.000 0.517 131 H N 1.071 120.281 119.070 0.234 0.000 2.499 131 H HA 0.324 4.883 4.556 0.007 0.000 0.340 131 H C -2.524 172.970 175.328 0.276 0.000 1.148 131 H CA -2.448 53.764 56.048 0.274 0.000 1.215 131 H CB 1.388 31.312 29.762 0.271 0.000 1.529 131 H HN -0.027 nan 8.280 nan 0.000 0.510 132 P HA 0.009 nan 4.420 nan 0.000 0.268 132 P C -0.394 177.052 177.300 0.242 0.000 1.205 132 P CA 0.144 63.383 63.100 0.232 0.000 0.771 132 P CB 0.591 32.389 31.700 0.163 0.000 0.858 133 I N 3.320 124.014 120.570 0.206 0.000 2.308 133 I HA 0.063 4.237 4.170 0.007 0.000 0.293 133 I C 0.703 176.899 176.117 0.133 0.000 1.078 133 I CA 0.239 61.633 61.300 0.156 0.000 1.292 133 I CB 0.348 38.434 38.000 0.143 0.000 1.423 133 I HN 0.382 nan 8.210 nan 0.000 0.493 134 D N 4.557 125.057 120.400 0.167 0.000 2.363 134 D HA 0.368 5.012 4.640 0.007 0.000 0.214 134 D C 0.087 176.553 176.300 0.277 0.000 1.093 134 D CA -0.182 53.938 54.000 0.199 0.000 0.837 134 D CB 0.679 41.584 40.800 0.175 0.000 0.948 134 D HN 0.376 nan 8.370 nan 0.000 0.507 135 A N 0.118 123.082 122.820 0.241 0.000 2.547 135 A HA 0.605 4.929 4.320 0.007 0.000 0.298 135 A C -1.567 176.109 177.584 0.153 0.000 1.062 135 A CA -0.757 51.425 52.037 0.241 0.000 0.748 135 A CB 0.796 19.971 19.000 0.292 0.000 1.288 135 A HN 0.141 nan 8.150 nan 0.000 0.396 136 I N 1.146 121.836 120.570 0.199 0.000 2.647 136 I HA 0.629 4.803 4.170 0.007 0.000 0.295 136 I C -0.444 175.877 176.117 0.339 0.000 1.078 136 I CA -0.528 60.896 61.300 0.206 0.000 1.048 136 I CB 2.947 40.951 38.000 0.008 0.000 1.239 136 I HN 0.607 nan 8.210 nan 0.000 0.421 137 T N 2.470 117.237 114.554 0.354 0.000 2.881 137 T HA 0.367 4.721 4.350 0.007 0.000 0.290 137 T C -1.300 173.749 174.700 0.583 0.000 1.000 137 T CA -0.550 61.796 62.100 0.410 0.000 0.978 137 T CB 1.168 70.208 68.868 0.286 0.000 0.997 137 T HN 0.562 nan 8.240 nan 0.000 0.443 138 H N 1.966 121.359 119.070 0.540 0.000 3.036 138 H HA 0.428 4.987 4.556 0.006 0.000 0.295 138 H C -1.525 174.103 175.328 0.500 0.000 1.124 138 H CA -0.642 55.767 56.048 0.602 0.000 1.507 138 H CB 0.442 30.621 29.762 0.694 0.000 1.591 138 H HN 0.674 nan 8.280 nan 0.000 0.510 139 Y N 4.282 124.691 120.300 0.182 0.000 2.335 139 Y HA 0.227 4.781 4.550 0.006 0.000 0.331 139 Y C -0.541 175.421 175.900 0.105 0.000 1.094 139 Y CA -0.121 57.945 58.100 -0.056 0.000 1.253 139 Y CB 0.744 38.958 38.460 -0.410 0.000 1.203 139 Y HN 0.613 nan 8.280 nan 0.000 0.508 140 D N 3.482 123.583 120.400 -0.499 0.000 2.391 140 D HA 0.083 4.727 4.640 0.007 0.000 0.245 140 D C 0.364 176.253 176.300 -0.685 0.000 1.069 140 D CA -0.033 53.797 54.000 -0.283 0.000 0.831 140 D CB 2.160 43.017 40.800 0.095 0.000 1.204 140 D HN 0.714 nan 8.370 nan 0.000 0.503 141 S N 3.401 118.932 115.700 -0.281 0.000 2.461 141 S HA -0.042 4.432 4.470 0.007 0.000 0.228 141 S C 1.869 176.461 174.600 -0.014 0.000 1.005 141 S CA 0.386 58.553 58.200 -0.054 0.000 0.942 141 S CB -0.085 63.232 63.200 0.194 0.000 0.776 141 S HN 0.620 nan 8.310 nan 0.000 0.514 142 I N 1.272 121.820 120.570 -0.037 0.000 2.480 142 I HA -0.003 4.171 4.170 0.007 0.000 0.251 142 I C 1.566 177.681 176.117 -0.003 0.000 1.124 142 I CA 1.009 62.310 61.300 0.002 0.000 1.444 142 I CB -0.133 37.861 38.000 -0.010 0.000 1.098 142 I HN 0.212 nan 8.210 nan 0.000 0.428 143 D N 0.121 120.505 120.400 -0.026 0.000 2.289 143 D HA -0.104 4.540 4.640 0.007 0.000 0.207 143 D C 0.436 176.716 176.300 -0.034 0.000 0.966 143 D CA 0.740 54.746 54.000 0.010 0.000 0.868 143 D CB -0.277 40.588 40.800 0.109 0.000 0.943 143 D HN 0.164 nan 8.370 nan 0.000 0.514 144 D N 0.446 120.753 120.400 -0.156 0.000 2.737 144 D HA -0.195 4.449 4.640 0.007 0.000 0.238 144 D C -0.907 175.359 176.300 -0.058 0.000 1.157 144 D CA 0.555 54.484 54.000 -0.118 0.000 0.694 144 D CB -0.421 40.445 40.800 0.111 0.000 1.021 144 D HN 0.004 nan 8.370 nan 0.000 0.420 145 R N 0.532 120.859 120.500 -0.287 0.000 2.651 145 R HA 0.443 4.787 4.340 0.007 0.000 0.278 145 R C -0.744 175.480 176.300 -0.126 0.000 1.010 145 R CA -0.674 55.358 56.100 -0.112 0.000 0.896 145 R CB 0.736 30.893 30.300 -0.238 0.000 1.211 145 R HN 0.029 nan 8.270 nan 0.000 0.456 146 F N 2.495 122.454 119.950 0.016 0.000 2.371 146 F HA 0.358 4.889 4.527 0.007 0.000 0.363 146 F C 0.092 175.866 175.800 -0.043 0.000 1.122 146 F CA -0.469 57.608 58.000 0.128 0.000 1.129 146 F CB 0.591 39.670 39.000 0.131 0.000 1.173 146 F HN 0.291 nan 8.300 nan 0.000 0.489 147 Y N 2.750 123.189 120.300 0.232 0.000 2.425 147 Y HA 0.485 5.039 4.550 0.006 0.000 0.347 147 Y C -0.151 175.682 175.900 -0.112 0.000 0.976 147 Y CA -0.725 57.355 58.100 -0.033 0.000 1.190 147 Y CB 1.001 39.343 38.460 -0.198 0.000 1.136 147 Y HN 0.193 nan 8.280 nan 0.000 0.517 148 V N 5.552 125.377 119.914 -0.150 0.000 2.384 148 V HA 0.319 4.443 4.120 0.007 0.000 0.287 148 V C -0.735 175.181 176.094 -0.297 0.000 1.020 148 V CA -1.035 61.212 62.300 -0.088 0.000 0.850 148 V CB 0.633 32.443 31.823 -0.021 0.000 0.987 148 V HN 0.437 nan 8.190 nan 0.000 0.436 149 F N 2.835 122.884 119.950 0.164 0.000 2.332 149 F HA 0.490 5.020 4.527 0.006 0.000 0.368 149 F C 0.140 176.079 175.800 0.231 0.000 1.110 149 F CA -0.765 57.377 58.000 0.236 0.000 1.087 149 F CB 1.117 40.230 39.000 0.188 0.000 1.235 149 F HN 0.430 nan 8.300 nan 0.000 0.470 150 D N 3.892 124.513 120.400 0.368 0.000 2.414 150 D HA 0.276 4.920 4.640 0.007 0.000 0.232 150 D C -1.142 175.402 176.300 0.406 0.000 1.070 150 D CA -0.556 53.669 54.000 0.374 0.000 0.839 150 D CB 1.270 42.327 40.800 0.429 0.000 1.079 150 D HN 0.340 nan 8.370 nan 0.000 0.521 151 L N 4.914 126.357 121.223 0.367 0.000 2.361 151 L HA 0.276 4.620 4.340 0.007 0.000 0.278 151 L C 0.128 177.125 176.870 0.212 0.000 1.113 151 L CA 0.236 55.249 54.840 0.288 0.000 0.849 151 L CB 0.628 42.806 42.059 0.198 0.000 1.155 151 L HN 0.643 nan 8.230 nan 0.000 0.452 152 L N 3.413 124.739 121.223 0.172 0.000 2.357 152 L HA 0.219 4.563 4.340 0.007 0.000 0.211 152 L C 0.020 176.896 176.870 0.009 0.000 1.075 152 L CA 0.231 55.119 54.840 0.080 0.000 0.830 152 L CB -0.065 42.063 42.059 0.115 0.000 0.996 152 L HN 0.679 nan 8.230 nan 0.000 0.467 153 N N 0.139 118.863 118.700 0.040 0.000 2.569 153 N HA 0.240 4.984 4.740 0.007 0.000 0.254 153 N C -0.706 174.805 175.510 0.003 0.000 1.004 153 N CA -0.164 52.892 53.050 0.009 0.000 0.904 153 N CB 1.628 40.126 38.487 0.018 0.000 1.165 153 N HN -0.013 nan 8.380 nan 0.000 0.513 154 S N 0.994 116.679 115.700 -0.024 0.000 2.677 154 S HA 0.599 5.073 4.470 0.007 0.000 0.304 154 S C -2.115 172.404 174.600 -0.135 0.000 1.108 154 S CA -1.605 56.564 58.200 -0.052 0.000 0.944 154 S CB 1.785 64.986 63.200 0.002 0.000 1.127 154 S HN 0.097 nan 8.310 nan 0.000 0.511 155 P HA 0.028 nan 4.420 nan 0.000 0.234 155 P C -0.175 176.819 177.300 -0.511 0.000 1.162 155 P CA 0.967 63.824 63.100 -0.405 0.000 0.759 155 P CB -0.250 31.123 31.700 -0.545 0.000 0.813 156 Y N -1.431 118.853 120.300 -0.027 0.000 2.449 156 Y HA 0.508 5.062 4.550 0.007 0.000 0.254 156 Y C 1.483 177.337 175.900 -0.076 0.000 1.140 156 Y CA -0.097 57.973 58.100 -0.050 0.000 1.272 156 Y CB 0.322 38.743 38.460 -0.065 0.000 1.114 156 Y HN -0.157 nan 8.280 nan 0.000 0.525 157 G N -0.235 108.571 108.800 0.010 0.000 2.411 157 G HA2 0.157 4.121 3.960 0.007 0.000 0.295 157 G HA3 0.157 4.121 3.960 0.007 0.000 0.295 157 G C -1.586 173.280 174.900 -0.057 0.000 1.542 157 G CA -1.077 44.002 45.100 -0.035 0.000 0.814 157 G HN 0.007 nan 8.290 nan 0.000 0.557 158 N N 0.553 119.221 118.700 -0.054 0.000 2.707 158 N HA 0.452 5.196 4.740 0.007 0.000 0.235 158 N C -0.000 175.473 175.510 -0.060 0.000 1.028 158 N CA -0.373 52.650 53.050 -0.045 0.000 0.906 158 N CB 1.889 40.361 38.487 -0.025 0.000 1.131 158 N HN 0.615 nan 8.380 nan 0.000 0.509 159 V N -0.171 119.679 119.914 -0.106 0.000 2.850 159 V HA 0.584 4.708 4.120 0.007 0.000 0.315 159 V C 0.160 176.236 176.094 -0.030 0.000 1.064 159 V CA -0.805 61.413 62.300 -0.137 0.000 0.979 159 V CB 1.848 33.429 31.823 -0.404 0.000 1.039 159 V HN 0.321 nan 8.190 nan 0.000 0.452 160 E N 0.644 120.876 120.200 0.054 0.000 2.359 160 E HA 0.371 4.725 4.350 0.007 0.000 0.255 160 E C -0.343 176.423 176.600 0.277 0.000 1.191 160 E CA -0.643 55.835 56.400 0.130 0.000 0.952 160 E CB 0.584 30.341 29.700 0.094 0.000 1.152 160 E HN 0.800 nan 8.360 nan 0.000 0.496 161 E N 0.597 120.949 120.200 0.252 0.000 2.344 161 E HA -0.015 4.339 4.350 0.007 0.000 0.270 161 E C -0.851 175.914 176.600 0.275 0.000 1.021 161 E CA -0.236 56.381 56.400 0.360 0.000 0.887 161 E CB 0.490 30.374 29.700 0.307 0.000 0.997 161 E HN 0.365 nan 8.360 nan 0.000 0.429 162 W N 3.650 124.988 121.300 0.063 0.000 2.293 162 W HA -0.072 4.592 4.660 0.007 0.000 0.342 162 W C -0.247 176.044 176.519 -0.381 0.000 1.274 162 W CA 0.139 57.317 57.345 -0.278 0.000 1.290 162 W CB 0.470 29.618 29.460 -0.519 0.000 1.176 162 W HN 0.266 nan 8.180 nan 0.000 0.570 163 S N 6.277 121.319 115.700 -1.097 0.000 2.552 163 S HA 0.261 4.735 4.470 0.007 0.000 0.314 163 S C 0.308 173.964 174.600 -1.573 0.000 1.099 163 S CA -0.875 56.720 58.200 -1.008 0.000 1.070 163 S CB 1.547 64.443 63.200 -0.507 0.000 0.998 163 S HN 0.753 nan 8.310 nan 0.000 0.474 164 I N 2.103 121.858 120.570 -1.358 0.000 2.454 164 I HA -0.196 3.978 4.170 0.007 0.000 0.254 164 I C 2.315 178.108 176.117 -0.539 0.000 1.156 164 I CA 1.510 62.198 61.300 -1.020 0.000 1.433 164 I CB -0.068 37.692 38.000 -0.401 0.000 1.082 164 I HN 0.838 nan 8.210 nan 0.000 0.432 165 E N 1.118 121.053 120.200 -0.441 0.000 2.001 165 E HA -0.240 4.114 4.350 0.007 0.000 0.193 165 E C 2.031 178.479 176.600 -0.254 0.000 0.994 165 E CA 1.654 57.892 56.400 -0.270 0.000 0.815 165 E CB -0.953 28.620 29.700 -0.211 0.000 0.770 165 E HN 0.525 nan 8.360 nan 0.000 0.453 166 I N 1.440 121.833 120.570 -0.295 0.000 3.241 166 I HA -0.096 4.078 4.170 0.007 0.000 0.280 166 I C 2.040 178.035 176.117 -0.202 0.000 1.320 166 I CA 0.716 61.884 61.300 -0.219 0.000 1.413 166 I CB -0.168 37.712 38.000 -0.200 0.000 1.060 166 I HN 0.143 nan 8.210 nan 0.000 0.500 167 A N 0.070 122.737 122.820 -0.254 0.000 2.055 167 A HA 0.369 4.693 4.320 0.007 0.000 0.205 167 A C 2.425 179.991 177.584 -0.030 0.000 1.235 167 A CA 0.695 52.674 52.037 -0.097 0.000 0.822 167 A CB -0.291 18.705 19.000 -0.007 0.000 0.903 167 A HN 0.307 nan 8.150 nan 0.000 0.473 168 A N 0.566 123.341 122.820 -0.074 0.000 1.969 168 A HA 0.035 4.359 4.320 0.007 0.000 0.218 168 A C 1.354 178.918 177.584 -0.034 0.000 1.169 168 A CA 0.712 52.722 52.037 -0.044 0.000 0.635 168 A CB -0.297 18.666 19.000 -0.062 0.000 0.810 168 A HN 0.488 nan 8.150 nan 0.000 0.445 169 K N -0.626 119.745 120.400 -0.048 0.000 2.188 169 K HA 0.232 4.556 4.320 0.007 0.000 0.246 169 K C -0.490 176.101 176.600 -0.015 0.000 1.026 169 K CA -0.496 55.770 56.287 -0.036 0.000 0.871 169 K CB 0.130 32.601 32.500 -0.048 0.000 1.042 169 K HN 0.124 nan 8.250 nan 0.000 0.509 170 L N 1.910 123.126 121.223 -0.012 0.000 2.456 170 L HA -0.032 4.312 4.340 0.007 0.000 0.257 170 L C 1.784 178.657 176.870 0.004 0.000 1.162 170 L CA 0.409 55.248 54.840 -0.002 0.000 0.808 170 L CB 0.697 42.752 42.059 -0.006 0.000 1.136 170 L HN 0.584 nan 8.230 nan 0.000 0.466 171 Q N 1.474 121.281 119.800 0.013 0.000 2.050 171 Q HA -0.181 4.163 4.340 0.007 0.000 0.202 171 Q C 1.048 177.056 176.000 0.013 0.000 0.980 171 Q CA 1.469 57.285 55.803 0.021 0.000 0.840 171 Q CB -0.660 28.094 28.738 0.027 0.000 0.898 171 Q HN 0.753 nan 8.270 nan 0.000 0.424 172 E N 1.418 121.621 120.200 0.005 0.000 2.510 172 E HA -0.165 4.189 4.350 0.007 0.000 0.202 172 E C -0.094 176.505 176.600 -0.002 0.000 1.072 172 E CA 0.682 57.083 56.400 0.002 0.000 0.883 172 E CB -0.155 29.544 29.700 -0.001 0.000 0.818 172 E HN 0.601 nan 8.360 nan 0.000 0.548 173 Q N -0.945 118.852 119.800 -0.005 0.000 2.409 173 Q HA 0.488 4.832 4.340 0.007 0.000 0.345 173 Q C 0.631 176.622 176.000 -0.015 0.000 0.847 173 Q CA -0.096 55.701 55.803 -0.011 0.000 1.092 173 Q CB 0.754 29.483 28.738 -0.015 0.000 1.377 173 Q HN 0.114 nan 8.270 nan 0.000 0.399 174 G N -0.868 107.927 108.800 -0.009 0.000 2.241 174 G HA2 -0.252 3.712 3.960 0.007 0.000 0.244 174 G HA3 -0.252 3.712 3.960 0.007 0.000 0.244 174 G C 0.562 175.452 174.900 -0.016 0.000 0.998 174 G CA -0.290 44.802 45.100 -0.014 0.000 0.621 174 G HN 0.887 nan 8.290 nan 0.000 0.519 175 G N -0.668 108.124 108.800 -0.013 0.000 2.570 175 G HA2 0.449 4.413 3.960 0.007 0.000 0.276 175 G HA3 0.449 4.413 3.960 0.007 0.000 0.276 175 G C 0.336 175.253 174.900 0.029 0.000 1.346 175 G CA 0.756 45.850 45.100 -0.010 0.000 1.034 175 G HN 0.162 nan 8.290 nan 0.000 0.512 176 D N -1.283 119.149 120.400 0.054 0.000 2.502 176 D HA 0.077 4.721 4.640 0.007 0.000 0.232 176 D C 0.338 176.714 176.300 0.128 0.000 1.137 176 D CA -0.143 53.935 54.000 0.129 0.000 0.827 176 D CB 0.430 41.331 40.800 0.169 0.000 1.141 176 D HN 0.464 nan 8.370 nan 0.000 0.517 177 E N 1.150 121.391 120.200 0.068 0.000 2.210 177 E HA -0.151 4.203 4.350 0.007 0.000 0.201 177 E C -0.538 176.097 176.600 0.058 0.000 1.339 177 E CA 0.139 56.566 56.400 0.046 0.000 0.699 177 E CB -0.958 28.761 29.700 0.032 0.000 1.126 177 E HN 0.062 nan 8.360 nan 0.000 0.355 178 V N 2.052 122.006 119.914 0.067 0.000 2.409 178 V HA 0.047 4.171 4.120 0.007 0.000 0.270 178 V C -1.680 174.413 176.094 -0.002 0.000 1.019 178 V CA -0.727 61.601 62.300 0.047 0.000 1.066 178 V CB 0.183 32.050 31.823 0.074 0.000 1.021 178 V HN 0.187 nan 8.190 nan 0.000 0.476 179 P HA 0.028 nan 4.420 nan 0.000 0.264 179 P C 1.044 178.312 177.300 -0.053 0.000 1.183 179 P CA 0.256 63.363 63.100 0.012 0.000 0.763 179 P CB 0.521 32.293 31.700 0.120 0.000 0.807 180 S N 1.923 117.605 115.700 -0.031 0.000 2.419 180 S HA -0.225 4.249 4.470 0.007 0.000 0.235 180 S C 1.288 175.853 174.600 -0.059 0.000 1.019 180 S CA 1.239 59.414 58.200 -0.041 0.000 0.982 180 S CB -0.906 62.282 63.200 -0.020 0.000 0.789 180 S HN 0.455 nan 8.310 nan 0.000 0.490 181 E N 1.563 121.727 120.200 -0.061 0.000 2.273 181 E HA -0.094 4.260 4.350 0.007 0.000 0.198 181 E C 1.864 178.393 176.600 -0.119 0.000 1.002 181 E CA 1.426 57.789 56.400 -0.060 0.000 0.828 181 E CB -0.571 29.117 29.700 -0.021 0.000 0.747 181 E HN 0.982 nan 8.360 nan 0.000 0.491 182 I N -2.755 117.679 120.570 -0.227 0.000 4.312 182 I HA 0.100 4.274 4.170 0.007 0.000 0.324 182 I C 1.830 177.834 176.117 -0.187 0.000 1.298 182 I CA -0.259 60.862 61.300 -0.298 0.000 1.231 182 I CB 0.035 37.567 38.000 -0.781 0.000 1.152 182 I HN -0.023 nan 8.210 nan 0.000 0.421 183 I N 1.217 121.709 120.570 -0.129 0.000 2.423 183 I HA -0.227 3.947 4.170 0.007 0.000 0.254 183 I C 1.359 177.471 176.117 -0.007 0.000 1.151 183 I CA 1.694 62.963 61.300 -0.051 0.000 1.421 183 I CB -1.430 36.552 38.000 -0.029 0.000 1.079 183 I HN 0.206 nan 8.210 nan 0.000 0.431 184 D N 1.521 121.917 120.400 -0.007 0.000 2.269 184 D HA -0.100 4.544 4.640 0.007 0.000 0.208 184 D C 1.576 177.899 176.300 0.040 0.000 0.963 184 D CA 1.042 55.052 54.000 0.017 0.000 0.864 184 D CB -0.087 40.723 40.800 0.017 0.000 0.936 184 D HN 0.394 nan 8.370 nan 0.000 0.505 185 K N -0.104 120.332 120.400 0.060 0.000 2.469 185 K HA 0.268 4.593 4.320 0.007 0.000 0.201 185 K C -0.084 176.610 176.600 0.157 0.000 1.028 185 K CA 0.006 56.374 56.287 0.136 0.000 1.170 185 K CB 0.454 33.120 32.500 0.277 0.000 0.874 185 K HN 0.095 nan 8.250 nan 0.000 0.507 186 I N 1.703 122.322 120.570 0.081 0.000 2.362 186 I HA 0.301 4.475 4.170 0.007 0.000 0.289 186 I C -0.385 175.761 176.117 0.048 0.000 0.994 186 I CA -0.710 60.638 61.300 0.081 0.000 1.158 186 I CB 1.423 39.474 38.000 0.085 0.000 1.315 186 I HN -0.113 nan 8.210 nan 0.000 0.451 187 I N 6.555 127.100 120.570 -0.043 0.000 2.339 187 I HA 0.228 4.402 4.170 0.007 0.000 0.290 187 I C -1.017 175.113 176.117 0.023 0.000 0.994 187 I CA -0.808 60.465 61.300 -0.045 0.000 1.191 187 I CB 1.392 39.269 38.000 -0.205 0.000 1.343 187 I HN 0.470 nan 8.210 nan 0.000 0.458 188 Y N 7.907 128.188 120.300 -0.033 0.000 2.331 188 Y HA 0.580 5.133 4.550 0.007 0.000 0.338 188 Y C -0.812 175.051 175.900 -0.061 0.000 0.976 188 Y CA -1.298 56.789 58.100 -0.021 0.000 1.137 188 Y CB 1.471 40.041 38.460 0.184 0.000 1.172 188 Y HN 0.496 nan 8.280 nan 0.000 0.478 189 M N 10.334 129.585 119.600 -0.581 0.000 2.016 189 M HA 0.344 4.828 4.480 0.007 0.000 0.315 189 M C -2.590 173.305 176.300 -0.676 0.000 0.930 189 M CA -1.825 53.112 55.300 -0.605 0.000 0.899 189 M CB 1.347 33.712 32.600 -0.391 0.000 1.401 189 M HN 0.402 nan 8.290 nan 0.000 0.386 190 P HA 0.398 nan 4.420 nan 0.000 0.274 190 P C -1.113 175.898 177.300 -0.483 0.000 1.246 190 P CA -0.073 62.775 63.100 -0.420 0.000 0.795 190 P CB 0.869 32.401 31.700 -0.280 0.000 1.006 191 F N -0.751 119.223 119.950 0.040 0.000 2.581 191 F HA 0.187 4.718 4.527 0.006 0.000 0.311 191 F C 1.412 177.249 175.800 0.061 0.000 1.113 191 F CA -0.462 57.577 58.000 0.064 0.000 0.935 191 F CB 1.581 40.641 39.000 0.099 0.000 1.232 191 F HN 0.191 nan 8.300 nan 0.000 0.445 192 D N 1.184 121.726 120.400 0.237 0.000 2.158 192 D HA -0.151 4.493 4.640 0.007 0.000 0.197 192 D C -0.023 176.361 176.300 0.140 0.000 0.995 192 D CA 1.898 55.989 54.000 0.151 0.000 0.846 192 D CB 0.001 40.880 40.800 0.133 0.000 0.941 192 D HN 0.697 nan 8.370 nan 0.000 0.456 193 N N -2.343 116.464 118.700 0.179 0.000 3.322 193 N HA 0.014 4.758 4.740 0.007 0.000 0.233 193 N C 0.019 175.578 175.510 0.082 0.000 1.399 193 N CA -0.662 52.451 53.050 0.106 0.000 0.894 193 N CB 1.242 39.769 38.487 0.066 0.000 1.440 193 N HN -0.302 nan 8.380 nan 0.000 0.503 194 E N 0.293 120.513 120.200 0.034 0.000 2.028 194 E HA -0.228 4.126 4.350 0.007 0.000 0.191 194 E C 1.144 177.743 176.600 -0.001 0.000 0.988 194 E CA 1.348 57.751 56.400 0.004 0.000 0.799 194 E CB -0.024 29.677 29.700 0.002 0.000 0.755 194 E HN 0.577 nan 8.360 nan 0.000 0.447 195 K N 0.982 121.389 120.400 0.011 0.000 2.077 195 K HA -0.278 4.046 4.320 0.007 0.000 0.213 195 K C 1.970 178.676 176.600 0.177 0.000 1.051 195 K CA 2.221 58.565 56.287 0.094 0.000 0.929 195 K CB -0.115 32.398 32.500 0.022 0.000 0.715 195 K HN 0.074 nan 8.250 nan 0.000 0.451 196 E N -0.463 119.785 120.200 0.080 0.000 2.072 196 E HA -0.168 4.186 4.350 0.007 0.000 0.191 196 E C 1.799 178.225 176.600 -0.290 0.000 0.985 196 E CA 1.049 57.490 56.400 0.068 0.000 0.801 196 E CB -0.153 29.687 29.700 0.233 0.000 0.750 196 E HN 0.256 nan 8.360 nan 0.000 0.452 197 L N 0.996 121.834 121.223 -0.642 0.000 1.970 197 L HA -0.183 4.161 4.340 0.007 0.000 0.212 197 L C 1.960 178.482 176.870 -0.580 0.000 1.071 197 L CA 1.788 55.865 54.840 -1.271 0.000 0.751 197 L CB -1.183 40.482 42.059 -0.656 0.000 0.889 197 L HN 0.254 nan 8.230 nan 0.000 0.432 198 L N -1.101 119.990 121.223 -0.220 0.000 2.046 198 L HA -0.241 4.103 4.340 0.007 0.000 0.208 198 L C 2.626 179.422 176.870 -0.123 0.000 1.077 198 L CA 1.448 56.247 54.840 -0.068 0.000 0.747 198 L CB -0.500 41.646 42.059 0.146 0.000 0.896 198 L HN 0.344 nan 8.230 nan 0.000 0.432 199 M N 0.006 119.532 119.600 -0.124 0.000 2.149 199 M HA -0.239 4.245 4.480 0.007 0.000 0.261 199 M C 2.070 178.299 176.300 -0.118 0.000 1.064 199 M CA 1.717 56.876 55.300 -0.236 0.000 1.102 199 M CB -0.291 32.248 32.600 -0.102 0.000 1.369 199 M HN 0.061 nan 8.290 nan 0.000 0.408 200 E N -1.231 118.937 120.200 -0.052 0.000 2.072 200 E HA -0.193 4.161 4.350 0.007 0.000 0.190 200 E C 1.963 178.611 176.600 0.081 0.000 0.982 200 E CA 1.322 57.787 56.400 0.109 0.000 0.803 200 E CB -0.714 29.214 29.700 0.380 0.000 0.755 200 E HN 0.621 nan 8.360 nan 0.000 0.453 201 Y N 0.809 120.951 120.300 -0.265 0.000 2.181 201 Y HA -0.146 4.408 4.550 0.007 0.000 0.288 201 Y C 2.091 177.929 175.900 -0.105 0.000 1.146 201 Y CA 1.606 59.444 58.100 -0.437 0.000 1.164 201 Y CB -0.375 37.667 38.460 -0.697 0.000 0.982 201 Y HN 0.048 nan 8.280 nan 0.000 0.515 202 L N 0.074 121.205 121.223 -0.154 0.000 2.043 202 L HA -0.330 4.014 4.340 0.007 0.000 0.212 202 L C 2.256 179.063 176.870 -0.105 0.000 1.075 202 L CA 1.749 56.475 54.840 -0.190 0.000 0.752 202 L CB -0.637 41.282 42.059 -0.233 0.000 0.891 202 L HN 0.356 nan 8.230 nan 0.000 0.432 203 N N -0.292 118.372 118.700 -0.060 0.000 2.120 203 N HA -0.227 4.517 4.740 0.007 0.000 0.188 203 N C 1.768 177.265 175.510 -0.021 0.000 1.024 203 N CA 1.387 54.423 53.050 -0.023 0.000 0.852 203 N CB -0.352 38.144 38.487 0.014 0.000 1.003 203 N HN 0.238 nan 8.380 nan 0.000 0.424 204 F N 1.169 121.033 119.950 -0.144 0.000 2.091 204 F HA -0.225 4.306 4.527 0.007 0.000 0.299 204 F C 2.420 178.034 175.800 -0.311 0.000 1.103 204 F CA 1.522 59.390 58.000 -0.220 0.000 1.228 204 F CB -0.348 38.539 39.000 -0.188 0.000 0.984 204 F HN 0.160 nan 8.300 nan 0.000 0.477 205 W N 1.178 122.182 121.300 -0.493 0.000 2.358 205 W HA -0.215 4.449 4.660 0.007 0.000 0.303 205 W C 2.242 178.527 176.519 -0.391 0.000 1.208 205 W CA 1.834 58.865 57.345 -0.523 0.000 1.274 205 W CB -0.813 28.352 29.460 -0.491 0.000 1.138 205 W HN 0.148 nan 8.180 nan 0.000 0.515 206 Q N 0.432 120.221 119.800 -0.018 0.000 2.181 206 Q HA -0.248 4.096 4.340 0.007 0.000 0.205 206 Q C 2.119 178.017 176.000 -0.171 0.000 0.980 206 Q CA 2.166 57.934 55.803 -0.058 0.000 0.862 206 Q CB -0.590 28.117 28.738 -0.052 0.000 0.905 206 Q HN 0.431 nan 8.270 nan 0.000 0.429 207 Q N -0.449 119.194 119.800 -0.262 0.000 2.134 207 Q HA 0.080 4.424 4.340 0.007 0.000 0.195 207 Q C 0.025 175.793 176.000 -0.387 0.000 0.958 207 Q CA 0.937 56.569 55.803 -0.285 0.000 0.840 207 Q CB 0.487 29.067 28.738 -0.263 0.000 0.918 207 Q HN 0.002 nan 8.270 nan 0.000 0.467 208 K N 1.087 121.115 120.400 -0.620 0.000 2.847 208 K HA 0.250 4.574 4.320 0.007 0.000 0.213 208 K C -1.244 174.967 176.600 -0.649 0.000 1.174 208 K CA -0.166 55.748 56.287 -0.623 0.000 1.095 208 K CB 1.216 33.219 32.500 -0.827 0.000 1.581 208 K HN 0.046 nan 8.250 nan 0.000 0.514 209 T N 3.340 117.575 114.554 -0.532 0.000 2.817 209 T HA 0.087 4.441 4.350 0.007 0.000 0.295 209 T C -2.297 172.086 174.700 -0.528 0.000 0.958 209 T CA -1.190 60.527 62.100 -0.638 0.000 1.157 209 T CB 0.254 68.884 68.868 -0.396 0.000 0.898 209 T HN 0.128 nan 8.240 nan 0.000 0.536 210 P HA 0.082 nan 4.420 nan 0.000 0.265 210 P C 0.550 177.723 177.300 -0.213 0.000 1.193 210 P CA -0.108 62.753 63.100 -0.399 0.000 0.765 210 P CB 0.586 31.997 31.700 -0.481 0.000 0.823 211 V N 3.532 123.379 119.914 -0.113 0.000 2.403 211 V HA 0.029 4.153 4.120 0.007 0.000 0.239 211 V C 0.991 177.092 176.094 0.010 0.000 1.041 211 V CA 1.269 63.550 62.300 -0.031 0.000 1.051 211 V CB -0.146 31.671 31.823 -0.009 0.000 0.704 211 V HN 0.400 nan 8.190 nan 0.000 0.472 212 I N 1.954 122.534 120.570 0.017 0.000 2.339 212 I HA 0.418 4.592 4.170 0.007 0.000 0.290 212 I C -0.698 175.470 176.117 0.084 0.000 0.994 212 I CA -0.599 60.740 61.300 0.065 0.000 1.191 212 I CB 1.126 39.171 38.000 0.076 0.000 1.343 212 I HN 0.082 nan 8.210 nan 0.000 0.458 213 L N 7.035 128.333 121.223 0.125 0.000 2.319 213 L HA 0.664 5.008 4.340 0.007 0.000 0.281 213 L C -0.023 177.009 176.870 0.270 0.000 1.005 213 L CA 0.502 55.442 54.840 0.167 0.000 0.828 213 L CB 1.586 43.749 42.059 0.172 0.000 1.227 213 L HN 0.751 nan 8.230 nan 0.000 0.415 214 T N 2.582 117.332 114.554 0.328 0.000 2.604 214 T HA 0.983 5.337 4.350 0.007 0.000 0.267 214 T C -0.244 174.711 174.700 0.424 0.000 0.923 214 T CA -0.061 62.264 62.100 0.375 0.000 1.077 214 T CB 1.148 70.255 68.868 0.398 0.000 1.392 214 T HN 1.230 nan 8.240 nan 0.000 0.531 215 G N -0.334 108.704 108.800 0.397 0.000 2.270 215 G HA2 0.136 4.100 3.960 0.007 0.000 0.268 215 G HA3 0.136 4.100 3.960 0.007 0.000 0.268 215 G C -2.021 173.126 174.900 0.411 0.000 1.312 215 G CA -0.217 45.095 45.100 0.352 0.000 1.050 215 G HN 0.748 nan 8.290 nan 0.000 0.474 216 W N 1.708 123.080 121.300 0.121 0.000 2.554 216 W HA 0.483 5.147 4.660 0.007 0.000 0.324 216 W C 0.404 176.973 176.519 0.084 0.000 1.018 216 W CA -0.116 57.299 57.345 0.117 0.000 1.243 216 W CB 1.173 30.678 29.460 0.074 0.000 1.345 216 W HN 0.795 nan 8.180 nan 0.000 0.441 217 N N 2.660 121.312 118.700 -0.080 0.000 2.753 217 N HA -0.217 4.527 4.740 0.007 0.000 0.251 217 N C 0.944 176.527 175.510 0.120 0.000 1.097 217 N CA 1.280 54.342 53.050 0.020 0.000 0.786 217 N CB -1.392 37.167 38.487 0.120 0.000 1.137 217 N HN 0.345 nan 8.380 nan 0.000 0.566 218 V N 0.724 120.708 119.914 0.116 0.000 2.332 218 V HA -0.236 3.888 4.120 0.007 0.000 0.248 218 V C 2.353 178.553 176.094 0.176 0.000 1.055 218 V CA 2.546 64.941 62.300 0.157 0.000 1.038 218 V CB -0.183 31.779 31.823 0.231 0.000 0.651 218 V HN 0.408 nan 8.190 nan 0.000 0.450 219 E N -0.130 120.135 120.200 0.108 0.000 2.118 219 E HA -0.187 4.167 4.350 0.007 0.000 0.195 219 E C 1.974 178.610 176.600 0.059 0.000 0.992 219 E CA 1.679 58.114 56.400 0.059 0.000 0.804 219 E CB -0.045 29.638 29.700 -0.029 0.000 0.741 219 E HN 0.753 nan 8.360 nan 0.000 0.458 220 S N -1.860 113.890 115.700 0.083 0.000 2.578 220 S HA 0.136 4.610 4.470 0.007 0.000 0.231 220 S C 0.710 175.462 174.600 0.253 0.000 0.994 220 S CA -0.655 57.610 58.200 0.108 0.000 0.956 220 S CB 0.349 63.575 63.200 0.044 0.000 0.870 220 S HN 0.296 nan 8.310 nan 0.000 0.494 221 F N 0.820 120.834 119.950 0.106 0.000 1.885 221 F HA 0.586 5.117 4.527 0.007 0.000 0.228 221 F C 2.176 178.085 175.800 0.181 0.000 1.217 221 F CA 0.448 58.547 58.000 0.165 0.000 1.307 221 F CB -0.407 38.697 39.000 0.173 0.000 1.822 221 F HN 0.100 nan 8.300 nan 0.000 0.336 222 A N 1.298 124.264 122.820 0.242 0.000 1.892 222 A HA -0.169 4.155 4.320 0.007 0.000 0.218 222 A C 2.034 179.748 177.584 0.218 0.000 1.188 222 A CA 2.447 54.537 52.037 0.089 0.000 0.631 222 A CB -1.326 17.558 19.000 -0.192 0.000 0.822 222 A HN 0.519 nan 8.150 nan 0.000 0.447 223 I N 0.151 120.901 120.570 0.299 0.000 2.133 223 I HA -0.120 4.054 4.170 0.007 0.000 0.238 223 I C -0.471 175.742 176.117 0.160 0.000 1.074 223 I CA 1.337 62.824 61.300 0.311 0.000 1.342 223 I CB -0.937 37.222 38.000 0.266 0.000 1.053 223 I HN 0.234 nan 8.210 nan 0.000 0.404 224 P HA -0.215 nan 4.420 nan 0.000 0.222 224 P C 1.345 178.660 177.300 0.025 0.000 1.147 224 P CA 1.643 64.780 63.100 0.062 0.000 0.790 224 P CB -0.112 31.611 31.700 0.039 0.000 0.780 225 Y N 1.157 121.369 120.300 -0.146 0.000 2.269 225 Y HA -0.101 4.453 4.550 0.006 0.000 0.294 225 Y C 2.432 178.277 175.900 -0.092 0.000 1.120 225 Y CA 1.085 59.047 58.100 -0.231 0.000 1.159 225 Y CB -0.615 37.488 38.460 -0.595 0.000 1.024 225 Y HN -0.200 nan 8.280 nan 0.000 0.532 226 V N -1.003 119.002 119.914 0.152 0.000 2.358 226 V HA -0.253 3.871 4.120 0.007 0.000 0.246 226 V C 2.022 178.119 176.094 0.006 0.000 1.047 226 V CA 2.092 64.454 62.300 0.103 0.000 1.035 226 V CB -1.423 30.488 31.823 0.148 0.000 0.658 226 V HN 0.491 nan 8.190 nan 0.000 0.452 227 Y N 2.347 122.594 120.300 -0.089 0.000 2.128 227 Y HA -0.167 4.387 4.550 0.007 0.000 0.284 227 Y C 2.529 178.352 175.900 -0.128 0.000 1.154 227 Y CA 2.464 60.492 58.100 -0.120 0.000 1.149 227 Y CB -0.466 37.925 38.460 -0.114 0.000 0.976 227 Y HN 0.310 nan 8.280 nan 0.000 0.505 228 N N 0.045 118.672 118.700 -0.123 0.000 2.331 228 N HA -0.121 4.623 4.740 0.007 0.000 0.180 228 N C 1.876 177.188 175.510 -0.330 0.000 1.019 228 N CA 0.869 53.769 53.050 -0.250 0.000 0.881 228 N CB -0.249 38.121 38.487 -0.195 0.000 0.972 228 N HN 0.265 nan 8.380 nan 0.000 0.435 229 R N 1.365 121.662 120.500 -0.339 0.000 2.057 229 R HA 0.175 4.519 4.340 0.007 0.000 0.229 229 R C 2.152 178.360 176.300 -0.154 0.000 1.136 229 R CA 0.859 56.796 56.100 -0.272 0.000 0.952 229 R CB -0.822 29.369 30.300 -0.182 0.000 0.848 229 R HN 0.129 nan 8.270 nan 0.000 0.430 230 I N 0.855 121.370 120.570 -0.092 0.000 2.194 230 I HA -0.356 3.818 4.170 0.007 0.000 0.246 230 I C 2.343 178.440 176.117 -0.033 0.000 1.093 230 I CA 1.719 63.048 61.300 0.049 0.000 1.355 230 I CB -0.351 37.637 38.000 -0.019 0.000 1.046 230 I HN 0.228 nan 8.210 nan 0.000 0.413 231 K N 1.102 121.354 120.400 -0.247 0.000 2.044 231 K HA -0.229 4.095 4.320 0.007 0.000 0.210 231 K C 1.907 178.405 176.600 -0.170 0.000 1.049 231 K CA 1.932 58.060 56.287 -0.264 0.000 0.927 231 K CB -0.039 32.225 32.500 -0.393 0.000 0.713 231 K HN 0.325 nan 8.250 nan 0.000 0.443 232 N N 0.413 119.003 118.700 -0.182 0.000 2.142 232 N HA -0.120 4.624 4.740 0.007 0.000 0.186 232 N C 1.891 177.281 175.510 -0.199 0.000 1.023 232 N CA 1.510 54.458 53.050 -0.169 0.000 0.852 232 N CB -0.144 38.240 38.487 -0.172 0.000 0.998 232 N HN 0.297 nan 8.380 nan 0.000 0.424 233 I N -0.654 119.754 120.570 -0.269 0.000 2.277 233 I HA -0.117 4.057 4.170 0.007 0.000 0.243 233 I C 1.435 177.193 176.117 -0.597 0.000 1.094 233 I CA 1.082 62.077 61.300 -0.509 0.000 1.393 233 I CB -0.184 37.364 38.000 -0.753 0.000 1.078 233 I HN -0.065 nan 8.210 nan 0.000 0.417 234 F N 0.379 120.265 119.950 -0.107 0.000 2.389 234 F HA 0.472 5.003 4.527 0.007 0.000 0.275 234 F C 1.142 176.885 175.800 -0.095 0.000 1.009 234 F CA 0.561 58.505 58.000 -0.093 0.000 1.187 234 F CB -0.431 38.511 39.000 -0.096 0.000 1.139 234 F HN 0.013 nan 8.300 nan 0.000 0.613 235 G N -0.643 108.201 108.800 0.073 0.000 2.361 235 G HA2 0.097 4.061 3.960 0.007 0.000 0.299 235 G HA3 0.097 4.061 3.960 0.007 0.000 0.299 235 G C -0.280 174.582 174.900 -0.063 0.000 1.544 235 G CA -0.466 44.627 45.100 -0.011 0.000 0.860 235 G HN 0.093 nan 8.290 nan 0.000 0.610 236 E N -0.090 120.064 120.200 -0.076 0.000 2.097 236 E HA -0.233 4.121 4.350 0.007 0.000 0.196 236 E C 2.504 179.073 176.600 -0.051 0.000 1.000 236 E CA 2.317 58.665 56.400 -0.087 0.000 0.804 236 E CB 0.038 29.719 29.700 -0.031 0.000 0.740 236 E HN 0.549 nan 8.360 nan 0.000 0.454 237 S N -0.816 114.869 115.700 -0.025 0.000 2.406 237 S HA -0.094 4.380 4.470 0.007 0.000 0.228 237 S C 1.950 176.533 174.600 -0.029 0.000 1.020 237 S CA 1.568 59.762 58.200 -0.011 0.000 0.965 237 S CB -0.336 62.862 63.200 -0.004 0.000 0.798 237 S HN 0.274 nan 8.310 nan 0.000 0.488 238 T N 1.978 116.507 114.554 -0.042 0.000 2.904 238 T HA 0.256 4.610 4.350 0.007 0.000 0.267 238 T C 2.169 176.795 174.700 -0.124 0.000 1.059 238 T CA 0.978 63.027 62.100 -0.084 0.000 1.137 238 T CB -0.659 68.159 68.868 -0.084 0.000 0.879 238 T HN 0.577 nan 8.240 nan 0.000 0.467 239 A N 2.361 125.097 122.820 -0.140 0.000 1.933 239 A HA -0.109 4.215 4.320 0.007 0.000 0.218 239 A C 2.262 179.834 177.584 -0.019 0.000 1.175 239 A CA 1.082 52.991 52.037 -0.213 0.000 0.628 239 A CB -0.356 18.282 19.000 -0.604 0.000 0.814 239 A HN 0.263 nan 8.150 nan 0.000 0.444 240 K N -0.145 120.285 120.400 0.051 0.000 2.218 240 K HA -0.143 4.181 4.320 0.007 0.000 0.205 240 K C 1.790 178.402 176.600 0.020 0.000 1.046 240 K CA 0.922 57.272 56.287 0.105 0.000 0.933 240 K CB -0.328 32.212 32.500 0.067 0.000 0.728 240 K HN 0.447 nan 8.250 nan 0.000 0.454 241 R N 0.780 121.255 120.500 -0.041 0.000 2.303 241 R HA -0.045 4.299 4.340 0.007 0.000 0.225 241 R C 2.075 178.314 176.300 -0.100 0.000 1.114 241 R CA 0.541 56.599 56.100 -0.069 0.000 1.007 241 R CB -0.273 29.962 30.300 -0.108 0.000 0.861 241 R HN 0.233 nan 8.270 nan 0.000 0.471 242 L N 0.190 121.300 121.223 -0.188 0.000 2.465 242 L HA -0.025 4.319 4.340 0.007 0.000 0.224 242 L C 1.111 177.967 176.870 -0.022 0.000 1.145 242 L CA 0.275 54.840 54.840 -0.458 0.000 0.834 242 L CB 0.006 41.729 42.059 -0.560 0.000 0.944 242 L HN -0.016 nan 8.230 nan 0.000 0.451 243 S N -0.810 114.910 115.700 0.032 0.000 2.525 243 S HA 0.311 4.785 4.470 0.007 0.000 0.290 243 S C -1.689 172.924 174.600 0.021 0.000 1.152 243 S CA -1.568 56.676 58.200 0.073 0.000 1.072 243 S CB 1.457 64.688 63.200 0.051 0.000 1.027 243 S HN -0.147 nan 8.310 nan 0.000 0.500 244 P HA -0.011 nan 4.420 nan 0.000 0.221 244 P C 0.397 177.507 177.300 -0.316 0.000 1.150 244 P CA 1.101 64.055 63.100 -0.244 0.000 0.800 244 P CB -0.030 31.422 31.700 -0.413 0.000 0.787 245 H N -1.448 117.587 119.070 -0.058 0.000 2.517 245 H HA 0.335 4.895 4.556 0.006 0.000 0.282 245 H C 0.436 175.641 175.328 -0.205 0.000 1.023 245 H CA -0.169 55.740 56.048 -0.231 0.000 1.169 245 H CB -0.096 29.324 29.762 -0.571 0.000 1.454 245 H HN -0.019 nan 8.280 nan 0.000 0.556 246 R N 0.492 120.984 120.500 -0.013 0.000 3.741 246 R HA -0.163 4.181 4.340 0.007 0.000 0.292 246 R C -0.140 176.171 176.300 0.019 0.000 1.176 246 R CA 0.679 56.779 56.100 0.001 0.000 0.794 246 R CB -0.803 29.494 30.300 -0.005 0.000 1.213 246 R HN 0.149 nan 8.270 nan 0.000 0.494 247 K N 0.657 121.090 120.400 0.055 0.000 2.345 247 K HA 0.389 4.713 4.320 0.007 0.000 0.255 247 K C -0.344 176.419 176.600 0.271 0.000 0.934 247 K CA -0.083 56.286 56.287 0.137 0.000 0.801 247 K CB 1.656 34.181 32.500 0.042 0.000 1.137 247 K HN 0.164 nan 8.250 nan 0.000 0.424 248 T N 0.096 114.760 114.554 0.183 0.000 2.887 248 T HA 0.598 4.952 4.350 0.007 0.000 0.292 248 T C -0.717 173.988 174.700 0.008 0.000 1.087 248 T CA -1.001 61.072 62.100 -0.045 0.000 1.009 248 T CB 2.247 70.977 68.868 -0.230 0.000 1.203 248 T HN 0.567 nan 8.240 nan 0.000 0.518 249 R N 0.770 121.152 120.500 -0.197 0.000 2.522 249 R HA 0.558 4.902 4.340 0.007 0.000 0.283 249 R C -2.051 174.158 176.300 -0.152 0.000 1.074 249 R CA -0.626 55.425 56.100 -0.082 0.000 0.925 249 R CB 2.231 32.547 30.300 0.027 0.000 1.205 249 R HN 0.611 nan 8.270 nan 0.000 0.436 250 V N 4.631 124.501 119.914 -0.074 0.000 2.348 250 V HA 0.202 4.326 4.120 0.007 0.000 0.270 250 V C 0.099 176.168 176.094 -0.042 0.000 1.037 250 V CA -0.512 61.750 62.300 -0.063 0.000 0.872 250 V CB 1.204 33.023 31.823 -0.008 0.000 1.002 250 V HN 0.573 nan 8.190 nan 0.000 0.464 251 K N 4.881 125.247 120.400 -0.057 0.000 2.273 251 K HA 0.326 4.650 4.320 0.007 0.000 0.287 251 K C -0.498 176.083 176.600 -0.031 0.000 1.089 251 K CA -0.335 55.926 56.287 -0.042 0.000 0.909 251 K CB 0.685 33.152 32.500 -0.055 0.000 1.123 251 K HN 0.527 nan 8.250 nan 0.000 0.473 252 V N 7.552 127.454 119.914 -0.019 0.000 2.409 252 V HA 0.043 4.167 4.120 0.007 0.000 0.270 252 V C 0.471 176.560 176.094 -0.010 0.000 1.019 252 V CA -0.197 62.097 62.300 -0.010 0.000 1.066 252 V CB -1.519 30.301 31.823 -0.005 0.000 1.021 252 V HN 0.889 nan 8.190 nan 0.000 0.476 253 I N 0.656 121.224 120.570 -0.005 0.000 7.708 253 I HA -0.137 4.037 4.170 0.007 0.000 0.126 253 I C -0.049 176.069 176.117 0.001 0.000 1.627 253 I CA 0.564 61.865 61.300 0.003 0.000 2.318 253 I CB 0.123 38.128 38.000 0.009 0.000 3.299 253 I HN 0.588 nan 8.210 nan 0.000 0.247 254 E N 6.186 126.390 120.200 0.006 0.000 1.932 254 E HA 0.245 4.599 4.350 0.007 0.000 0.259 254 E C -0.656 175.959 176.600 0.024 0.000 1.099 254 E CA 0.036 56.441 56.400 0.009 0.000 0.970 254 E CB 0.233 29.936 29.700 0.005 0.000 1.143 254 E HN 0.509 nan 8.360 nan 0.000 0.441 255 N N 3.555 122.265 118.700 0.017 0.000 2.816 255 N HA 0.165 4.909 4.740 0.007 0.000 0.236 255 N C 0.275 175.790 175.510 0.008 0.000 1.076 255 N CA 0.068 53.131 53.050 0.022 0.000 0.902 255 N CB 0.613 39.109 38.487 0.015 0.000 1.149 255 N HN 0.292 nan 8.380 nan 0.000 0.506 256 M N -0.021 119.590 119.600 0.018 0.000 2.724 256 M HA 0.244 4.728 4.480 0.007 0.000 0.231 256 M C 1.021 177.274 176.300 -0.077 0.000 1.568 256 M CA 0.342 55.620 55.300 -0.036 0.000 1.153 256 M CB 0.414 32.995 32.600 -0.030 0.000 1.345 256 M HN 0.166 nan 8.290 nan 0.000 0.555 257 Y N 0.738 121.042 120.300 0.007 0.000 2.610 257 Y HA 0.638 5.192 4.550 0.007 0.000 0.234 257 Y C 1.598 177.512 175.900 0.024 0.000 1.050 257 Y CA 0.076 58.185 58.100 0.014 0.000 1.381 257 Y CB -0.174 38.294 38.460 0.012 0.000 1.187 257 Y HN 0.156 nan 8.280 nan 0.000 0.495 258 G N -0.834 108.114 108.800 0.247 0.000 2.828 258 G HA2 0.395 4.359 3.960 0.007 0.000 0.244 258 G HA3 0.395 4.359 3.960 0.007 0.000 0.244 258 G C -1.252 173.716 174.900 0.112 0.000 1.365 258 G CA -0.488 44.703 45.100 0.153 0.000 1.041 258 G HN 0.105 nan 8.290 nan 0.000 0.560 259 S N -0.680 115.081 115.700 0.102 0.000 2.456 259 S HA 0.690 5.164 4.470 0.007 0.000 0.316 259 S C -0.349 174.304 174.600 0.088 0.000 1.089 259 S CA -0.569 57.679 58.200 0.080 0.000 1.101 259 S CB 0.736 63.974 63.200 0.064 0.000 0.995 259 S HN 0.446 nan 8.310 nan 0.000 0.468 260 R N 2.600 123.139 120.500 0.066 0.000 2.522 260 R HA 0.351 4.695 4.340 0.007 0.000 0.283 260 R C -1.516 174.803 176.300 0.032 0.000 1.074 260 R CA -0.501 55.637 56.100 0.063 0.000 0.925 260 R CB 1.419 31.755 30.300 0.060 0.000 1.205 260 R HN 0.754 nan 8.270 nan 0.000 0.436 261 E N 4.489 124.704 120.200 0.025 0.000 2.390 261 E HA 0.218 4.572 4.350 0.007 0.000 0.277 261 E C -1.168 175.425 176.600 -0.013 0.000 0.939 261 E CA -0.883 55.517 56.400 -0.001 0.000 0.769 261 E CB 1.422 31.120 29.700 -0.004 0.000 1.251 261 E HN 0.325 nan 8.360 nan 0.000 0.450 262 I N 0.979 121.525 120.570 -0.040 0.000 2.441 262 I HA 0.315 4.489 4.170 0.007 0.000 0.287 262 I C 0.114 176.171 176.117 -0.099 0.000 1.049 262 I CA -0.494 60.768 61.300 -0.064 0.000 1.381 262 I CB 0.030 37.980 38.000 -0.084 0.000 1.409 262 I HN 0.411 nan 8.210 nan 0.000 0.523 263 I N 4.798 125.288 120.570 -0.132 0.000 2.336 263 I HA 0.301 4.475 4.170 0.007 0.000 0.292 263 I C 0.202 176.151 176.117 -0.280 0.000 0.991 263 I CA 0.235 61.384 61.300 -0.251 0.000 1.227 263 I CB 1.467 39.252 38.000 -0.359 0.000 1.366 263 I HN 0.600 nan 8.210 nan 0.000 0.466 264 T N 7.681 122.020 114.554 -0.358 0.000 2.733 264 T HA 0.492 4.846 4.350 0.007 0.000 0.294 264 T C -0.110 174.245 174.700 -0.576 0.000 0.956 264 T CA -0.417 61.416 62.100 -0.446 0.000 0.987 264 T CB 0.162 68.703 68.868 -0.544 0.000 0.920 264 T HN 0.233 nan 8.240 nan 0.000 0.470 265 L N 4.525 125.513 121.223 -0.393 0.000 2.261 265 L HA 0.453 4.797 4.340 0.007 0.000 0.289 265 L C -0.049 176.704 176.870 -0.195 0.000 1.059 265 L CA -0.693 53.984 54.840 -0.271 0.000 0.816 265 L CB 0.045 42.050 42.059 -0.090 0.000 1.191 265 L HN 0.571 nan 8.230 nan 0.000 0.431 266 F N 1.919 121.871 119.950 0.004 0.000 2.484 266 F HA 0.347 4.878 4.527 0.006 0.000 0.360 266 F C 1.488 177.376 175.800 0.147 0.000 1.101 266 F CA 0.851 58.888 58.000 0.060 0.000 1.251 266 F CB 1.103 40.114 39.000 0.019 0.000 1.132 266 F HN 0.742 nan 8.300 nan 0.000 0.570 267 G N 3.169 112.217 108.800 0.413 0.000 2.157 267 G HA2 -0.245 3.719 3.960 0.007 0.000 0.248 267 G HA3 -0.245 3.719 3.960 0.007 0.000 0.248 267 G C -0.295 174.702 174.900 0.161 0.000 0.979 267 G CA -0.327 44.970 45.100 0.327 0.000 0.650 267 G HN 0.509 nan 8.290 nan 0.000 0.529 268 I N 0.736 121.394 120.570 0.146 0.000 2.608 268 I HA 0.445 4.619 4.170 0.007 0.000 0.295 268 I C -0.242 175.942 176.117 0.112 0.000 1.049 268 I CA -0.810 60.556 61.300 0.111 0.000 1.063 268 I CB 2.268 40.348 38.000 0.133 0.000 1.248 268 I HN 0.017 nan 8.210 nan 0.000 0.424 269 S N 4.298 120.061 115.700 0.105 0.000 2.423 269 S HA 0.347 4.821 4.470 0.007 0.000 0.317 269 S C -0.146 174.530 174.600 0.126 0.000 1.065 269 S CA -0.536 57.730 58.200 0.109 0.000 1.111 269 S CB 1.068 64.324 63.200 0.094 0.000 0.968 269 S HN 0.297 nan 8.310 nan 0.000 0.474 270 V N 5.704 125.698 119.914 0.133 0.000 2.408 270 V HA 0.244 4.368 4.120 0.007 0.000 0.267 270 V C 0.008 176.225 176.094 0.204 0.000 1.047 270 V CA -0.161 62.237 62.300 0.162 0.000 0.937 270 V CB 0.390 32.291 31.823 0.130 0.000 0.999 270 V HN 0.746 nan 8.190 nan 0.000 0.472 271 L N 4.245 125.609 121.223 0.234 0.000 2.506 271 L HA 0.373 4.717 4.340 0.007 0.000 0.247 271 L C 0.198 177.231 176.870 0.271 0.000 1.141 271 L CA -0.528 54.492 54.840 0.299 0.000 0.973 271 L CB 0.795 42.999 42.059 0.243 0.000 1.319 271 L HN 0.541 nan 8.230 nan 0.000 0.455 272 D N 0.458 120.968 120.400 0.183 0.000 2.586 272 D HA -0.183 4.461 4.640 0.007 0.000 0.234 272 D C 0.749 177.111 176.300 0.103 0.000 1.132 272 D CA 0.588 54.656 54.000 0.113 0.000 0.860 272 D CB 0.704 41.481 40.800 -0.038 0.000 1.159 272 D HN 0.306 nan 8.370 nan 0.000 0.490 273 Y N 3.633 123.970 120.300 0.062 0.000 2.497 273 Y HA -0.076 4.478 4.550 0.006 0.000 0.292 273 Y C 2.042 177.826 175.900 -0.192 0.000 1.137 273 Y CA 0.773 58.937 58.100 0.107 0.000 1.285 273 Y CB 0.079 38.735 38.460 0.327 0.000 0.991 273 Y HN 0.586 nan 8.280 nan 0.000 0.556 274 I N -0.958 119.290 120.570 -0.537 0.000 2.500 274 I HA -0.226 3.948 4.170 0.007 0.000 0.252 274 I C 1.467 177.352 176.117 -0.386 0.000 1.142 274 I CA 1.280 62.075 61.300 -0.841 0.000 1.451 274 I CB -0.092 37.204 38.000 -1.174 0.000 1.093 274 I HN 0.123 nan 8.210 nan 0.000 0.430 275 D N 0.835 121.049 120.400 -0.311 0.000 2.103 275 D HA -0.124 4.520 4.640 0.007 0.000 0.199 275 D C 2.347 178.576 176.300 -0.118 0.000 0.978 275 D CA 1.044 54.871 54.000 -0.288 0.000 0.829 275 D CB -0.163 40.361 40.800 -0.459 0.000 0.981 275 D HN 0.334 nan 8.370 nan 0.000 0.464 276 L N 0.075 121.281 121.223 -0.027 0.000 2.013 276 L HA -0.247 4.097 4.340 0.007 0.000 0.212 276 L C 2.542 179.196 176.870 -0.361 0.000 1.073 276 L CA 1.281 56.020 54.840 -0.169 0.000 0.753 276 L CB -0.468 41.424 42.059 -0.278 0.000 0.890 276 L HN 0.093 nan 8.230 nan 0.000 0.432 277 Y N 0.994 121.135 120.300 -0.265 0.000 2.145 277 Y HA -0.299 4.255 4.550 0.007 0.000 0.286 277 Y C 2.592 178.429 175.900 -0.105 0.000 1.145 277 Y CA 1.800 59.904 58.100 0.008 0.000 1.148 277 Y CB -0.045 38.589 38.460 0.289 0.000 0.981 277 Y HN 0.019 nan 8.280 nan 0.000 0.507 278 K N -0.262 120.103 120.400 -0.059 0.000 2.209 278 K HA -0.166 4.158 4.320 0.007 0.000 0.204 278 K C 2.134 178.485 176.600 -0.415 0.000 1.048 278 K CA 1.078 57.234 56.287 -0.217 0.000 0.940 278 K CB -0.052 32.256 32.500 -0.319 0.000 0.729 278 K HN 0.084 nan 8.250 nan 0.000 0.451 279 K N 0.064 120.132 120.400 -0.554 0.000 2.076 279 K HA -0.003 4.321 4.320 0.007 0.000 0.204 279 K C 1.467 177.462 176.600 -1.009 0.000 1.051 279 K CA 1.402 57.175 56.287 -0.857 0.000 0.949 279 K CB 0.161 31.953 32.500 -1.178 0.000 0.726 279 K HN 0.149 nan 8.250 nan 0.000 0.443 280 F N -0.467 119.104 119.950 -0.631 0.000 2.727 280 F HA 0.031 4.562 4.527 0.007 0.000 0.302 280 F C 2.270 177.977 175.800 -0.154 0.000 1.107 280 F CA -0.007 57.673 58.000 -0.533 0.000 1.277 280 F CB 0.228 38.600 39.000 -1.045 0.000 1.079 280 F HN -0.033 nan 8.300 nan 0.000 0.594 281 S N 0.640 116.235 115.700 -0.174 0.000 2.383 281 S HA -0.221 4.253 4.470 0.007 0.000 0.227 281 S C 0.802 175.539 174.600 0.229 0.000 1.026 281 S CA 0.722 58.921 58.200 -0.001 0.000 0.981 281 S CB -0.770 62.053 63.200 -0.627 0.000 0.818 281 S HN 0.346 nan 8.310 nan 0.000 0.472 282 F N 1.781 121.699 119.950 -0.053 0.000 2.985 282 F HA -0.137 4.394 4.527 0.006 0.000 0.303 282 F C -0.181 175.624 175.800 0.010 0.000 0.976 282 F CA 0.888 58.883 58.000 -0.007 0.000 1.013 282 F CB -2.282 36.735 39.000 0.029 0.000 1.060 282 F HN 0.412 nan 8.300 nan 0.000 0.780 283 T N -1.949 112.652 114.554 0.078 0.000 3.705 283 T HA 0.248 4.602 4.350 0.007 0.000 0.342 283 T C -0.757 173.968 174.700 0.042 0.000 1.043 283 T CA -0.998 61.141 62.100 0.064 0.000 1.071 283 T CB 1.429 70.337 68.868 0.066 0.000 1.124 283 T HN 0.134 nan 8.240 nan 0.000 0.467 284 N N 3.290 122.007 118.700 0.028 0.000 2.431 284 N HA 0.120 4.864 4.740 0.007 0.000 0.265 284 N C -0.269 175.207 175.510 -0.058 0.000 1.184 284 N CA 0.031 53.103 53.050 0.036 0.000 0.943 284 N CB 0.495 38.988 38.487 0.009 0.000 1.080 284 N HN 0.499 nan 8.380 nan 0.000 0.477 285 Q N 3.874 123.584 119.800 -0.150 0.000 2.230 285 Q HA 0.305 4.649 4.340 0.007 0.000 0.253 285 Q C -1.522 174.159 176.000 -0.531 0.000 0.919 285 Q CA -1.656 53.875 55.803 -0.454 0.000 0.908 285 Q CB 1.212 29.496 28.738 -0.757 0.000 1.245 285 Q HN 0.413 nan 8.270 nan 0.000 0.437 286 P HA -0.114 nan 4.420 nan 0.000 0.215 286 P C 0.254 177.103 177.300 -0.752 0.000 1.153 286 P CA 1.207 63.958 63.100 -0.580 0.000 0.853 286 P CB 0.398 31.788 31.700 -0.517 0.000 0.788 287 S N -2.602 112.445 115.700 -1.089 0.000 2.548 287 S HA 0.388 4.862 4.470 0.007 0.000 0.286 287 S C -0.571 173.630 174.600 -0.666 0.000 1.098 287 S CA -0.583 57.161 58.200 -0.759 0.000 0.930 287 S CB 0.541 63.332 63.200 -0.682 0.000 1.070 287 S HN -0.104 nan 8.310 nan 0.000 0.480 288 Y N 2.336 122.542 120.300 -0.157 0.000 2.571 288 Y HA 0.258 4.812 4.550 0.007 0.000 0.275 288 Y C 1.368 177.400 175.900 0.220 0.000 1.179 288 Y CA -0.150 57.974 58.100 0.040 0.000 1.242 288 Y CB 0.266 38.741 38.460 0.025 0.000 1.126 288 Y HN 0.711 nan 8.280 nan 0.000 0.524 289 S N -0.439 115.355 115.700 0.157 0.000 2.549 289 S HA 0.006 4.480 4.470 0.007 0.000 0.279 289 S C 1.240 175.792 174.600 -0.080 0.000 1.321 289 S CA -0.624 57.645 58.200 0.116 0.000 1.054 289 S CB 1.203 64.429 63.200 0.044 0.000 0.899 289 S HN 0.448 nan 8.310 nan 0.000 0.497 290 L N 2.112 123.083 121.223 -0.421 0.000 2.089 290 L HA -0.146 4.198 4.340 0.007 0.000 0.213 290 L C 1.914 178.531 176.870 -0.423 0.000 1.079 290 L CA 2.155 56.494 54.840 -0.835 0.000 0.758 290 L CB -0.923 40.597 42.059 -0.898 0.000 0.891 290 L HN 0.890 nan 8.230 nan 0.000 0.433 291 D N -1.772 118.484 120.400 -0.239 0.000 2.127 291 D HA -0.310 4.334 4.640 0.007 0.000 0.190 291 D C 1.979 178.205 176.300 -0.123 0.000 1.000 291 D CA 2.003 55.904 54.000 -0.164 0.000 0.839 291 D CB -0.312 40.437 40.800 -0.085 0.000 0.955 291 D HN 0.497 nan 8.370 nan 0.000 0.446 292 Y N 0.329 120.529 120.300 -0.165 0.000 2.133 292 Y HA -0.153 4.401 4.550 0.006 0.000 0.287 292 Y C 2.208 178.037 175.900 -0.118 0.000 1.134 292 Y CA 1.138 59.163 58.100 -0.125 0.000 1.133 292 Y CB -0.154 38.219 38.460 -0.144 0.000 0.987 292 Y HN -0.017 nan 8.280 nan 0.000 0.502 293 I N -0.646 119.927 120.570 0.005 0.000 2.208 293 I HA -0.307 3.867 4.170 0.007 0.000 0.245 293 I C 2.466 178.513 176.117 -0.117 0.000 1.097 293 I CA 1.509 62.757 61.300 -0.086 0.000 1.363 293 I CB -1.611 36.219 38.000 -0.283 0.000 1.051 293 I HN 0.183 nan 8.210 nan 0.000 0.413 294 S N 0.705 116.259 115.700 -0.244 0.000 2.356 294 S HA -0.211 4.263 4.470 0.007 0.000 0.223 294 S C 1.662 176.163 174.600 -0.164 0.000 1.032 294 S CA 1.769 59.830 58.200 -0.232 0.000 1.005 294 S CB -0.253 62.777 63.200 -0.283 0.000 0.867 294 S HN 0.686 nan 8.310 nan 0.000 0.449 295 E N 0.164 120.261 120.200 -0.171 0.000 2.489 295 E HA 0.077 4.431 4.350 0.007 0.000 0.193 295 E C 1.392 177.903 176.600 -0.149 0.000 1.057 295 E CA 0.263 56.559 56.400 -0.175 0.000 0.866 295 E CB -0.342 29.237 29.700 -0.203 0.000 0.916 295 E HN 0.571 nan 8.360 nan 0.000 0.500 296 F N 1.204 121.019 119.950 -0.225 0.000 2.317 296 F HA 0.187 4.717 4.527 0.006 0.000 0.293 296 F C 1.885 177.656 175.800 -0.050 0.000 1.085 296 F CA 0.733 58.645 58.000 -0.147 0.000 1.390 296 F CB 0.439 39.391 39.000 -0.079 0.000 1.077 296 F HN -0.093 nan 8.300 nan 0.000 0.517 297 E N 0.400 120.648 120.200 0.081 0.000 2.250 297 E HA 0.086 4.440 4.350 0.007 0.000 0.192 297 E C 1.549 178.095 176.600 -0.089 0.000 0.986 297 E CA 0.990 57.417 56.400 0.045 0.000 0.849 297 E CB 0.274 30.087 29.700 0.189 0.000 0.797 297 E HN 0.475 nan 8.360 nan 0.000 0.482 298 L N -0.625 120.527 121.223 -0.119 0.000 3.217 298 L HA 0.271 4.615 4.340 0.007 0.000 0.288 298 L C -0.184 176.600 176.870 -0.144 0.000 1.202 298 L CA -0.430 54.329 54.840 -0.134 0.000 1.027 298 L CB -0.049 41.919 42.059 -0.151 0.000 1.427 298 L HN -0.148 nan 8.230 nan 0.000 0.600 299 N N 1.385 119.989 118.700 -0.160 0.000 2.702 299 N HA -0.166 4.578 4.740 0.007 0.000 0.255 299 N C 0.071 175.501 175.510 -0.134 0.000 0.983 299 N CA 0.979 53.938 53.050 -0.153 0.000 0.768 299 N CB -0.788 37.612 38.487 -0.145 0.000 0.918 299 N HN 0.433 nan 8.380 nan 0.000 0.540 300 V N -3.060 116.767 119.914 -0.144 0.000 3.610 300 V HA 0.814 4.938 4.120 0.007 0.000 0.285 300 V C 1.543 177.555 176.094 -0.136 0.000 1.012 300 V CA -0.284 61.934 62.300 -0.136 0.000 0.975 300 V CB 0.358 32.088 31.823 -0.155 0.000 1.247 300 V HN 0.197 nan 8.190 nan 0.000 0.424 301 G N -0.601 108.120 108.800 -0.132 0.000 2.569 301 G HA2 0.246 4.210 3.960 0.007 0.000 0.249 301 G HA3 0.246 4.210 3.960 0.007 0.000 0.249 301 G C 0.459 175.257 174.900 -0.170 0.000 1.216 301 G CA -0.467 44.553 45.100 -0.133 0.000 0.845 301 G HN 0.852 nan 8.290 nan 0.000 0.568 302 K N -0.279 120.024 120.400 -0.161 0.000 2.362 302 K HA -0.063 4.261 4.320 0.007 0.000 0.202 302 K C 0.145 176.593 176.600 -0.253 0.000 1.045 302 K CA 0.245 56.423 56.287 -0.182 0.000 0.936 302 K CB -0.249 32.162 32.500 -0.148 0.000 0.747 302 K HN 0.216 nan 8.250 nan 0.000 0.467 303 L N 1.241 122.286 121.223 -0.297 0.000 3.295 303 L HA -0.182 4.162 4.340 0.007 0.000 0.686 303 L C -0.273 176.355 176.870 -0.404 0.000 1.088 303 L CA 0.923 55.467 54.840 -0.495 0.000 1.255 303 L CB -1.287 40.372 42.059 -0.668 0.000 1.713 303 L HN 0.182 nan 8.230 nan 0.000 0.868 304 K N 2.583 122.885 120.400 -0.164 0.000 2.154 304 K HA 0.673 4.997 4.320 0.007 0.000 0.264 304 K C -0.302 176.395 176.600 0.161 0.000 1.008 304 K CA -0.325 55.906 56.287 -0.094 0.000 0.937 304 K CB 1.729 34.218 32.500 -0.018 0.000 1.002 304 K HN 0.416 nan 8.250 nan 0.000 0.469 305 Y N -1.771 118.653 120.300 0.207 0.000 2.519 305 Y HA 0.308 4.862 4.550 0.007 0.000 0.336 305 Y C -1.064 174.895 175.900 0.098 0.000 1.089 305 Y CA -1.902 56.295 58.100 0.162 0.000 1.025 305 Y CB 0.270 38.833 38.460 0.171 0.000 1.318 305 Y HN 0.401 nan 8.280 nan 0.000 0.452 306 D N 1.435 122.004 120.400 0.281 0.000 2.345 306 D HA 0.479 5.123 4.640 0.007 0.000 0.247 306 D C 0.619 177.039 176.300 0.199 0.000 1.108 306 D CA 1.457 55.571 54.000 0.191 0.000 0.894 306 D CB 1.046 41.913 40.800 0.111 0.000 1.203 306 D HN 1.132 nan 8.370 nan 0.000 0.430 307 G N 1.425 110.322 108.800 0.161 0.000 2.870 307 G HA2 -0.143 3.821 3.960 0.007 0.000 0.685 307 G HA3 -0.143 3.821 3.960 0.007 0.000 0.685 307 G C -2.613 172.358 174.900 0.118 0.000 1.556 307 G CA -1.234 43.933 45.100 0.112 0.000 1.042 307 G HN 0.414 nan 8.290 nan 0.000 0.592 308 P HA 0.317 nan 4.420 nan 0.000 0.273 308 P C 1.367 178.595 177.300 -0.121 0.000 1.250 308 P CA -0.405 62.723 63.100 0.047 0.000 0.793 308 P CB 0.541 32.273 31.700 0.054 0.000 1.011 309 I N 0.928 121.412 120.570 -0.143 0.000 2.394 309 I HA -0.238 3.936 4.170 0.007 0.000 0.251 309 I C 1.896 177.934 176.117 -0.132 0.000 1.136 309 I CA 2.065 63.235 61.300 -0.216 0.000 1.425 309 I CB -0.789 37.139 38.000 -0.119 0.000 1.079 309 I HN 0.343 nan 8.210 nan 0.000 0.425 310 S N 1.006 116.643 115.700 -0.105 0.000 2.423 310 S HA -0.237 4.237 4.470 0.007 0.000 0.238 310 S C 1.407 175.906 174.600 -0.168 0.000 1.028 310 S CA 1.470 59.589 58.200 -0.136 0.000 1.000 310 S CB -0.571 62.566 63.200 -0.105 0.000 0.797 310 S HN 0.712 nan 8.310 nan 0.000 0.487 311 K N 0.375 120.693 120.400 -0.137 0.000 3.350 311 K HA 0.273 4.597 4.320 0.007 0.000 0.167 311 K C 0.049 176.573 176.600 -0.127 0.000 1.058 311 K CA -0.328 55.872 56.287 -0.146 0.000 0.783 311 K CB 0.031 32.456 32.500 -0.125 0.000 0.872 311 K HN 0.356 nan 8.250 nan 0.000 0.561 312 L N 0.186 121.332 121.223 -0.128 0.000 2.567 312 L HA 0.318 4.662 4.340 0.007 0.000 0.225 312 L C 2.133 178.941 176.870 -0.104 0.000 1.119 312 L CA 0.446 55.228 54.840 -0.097 0.000 0.871 312 L CB -0.011 41.952 42.059 -0.160 0.000 1.036 312 L HN 0.388 nan 8.230 nan 0.000 0.459 313 R N 0.068 120.341 120.500 -0.379 0.000 2.061 313 R HA -0.205 4.139 4.340 0.007 0.000 0.230 313 R C 2.163 178.322 176.300 -0.234 0.000 1.140 313 R CA 1.806 57.559 56.100 -0.579 0.000 0.940 313 R CB -0.173 29.597 30.300 -0.883 0.000 0.839 313 R HN 0.481 nan 8.270 nan 0.000 0.429 314 E N 0.168 120.253 120.200 -0.192 0.000 2.097 314 E HA -0.210 4.144 4.350 0.007 0.000 0.196 314 E C 1.825 178.386 176.600 -0.065 0.000 1.000 314 E CA 2.133 58.467 56.400 -0.110 0.000 0.804 314 E CB -0.165 29.486 29.700 -0.082 0.000 0.740 314 E HN 0.315 nan 8.360 nan 0.000 0.454 315 S N -0.613 115.052 115.700 -0.058 0.000 2.362 315 S HA -0.093 4.381 4.470 0.007 0.000 0.221 315 S C 0.791 175.389 174.600 -0.003 0.000 1.032 315 S CA 1.002 59.186 58.200 -0.027 0.000 0.973 315 S CB -0.032 63.152 63.200 -0.027 0.000 0.849 315 S HN 0.283 nan 8.310 nan 0.000 0.465 316 N N 0.073 118.776 118.700 0.006 0.000 2.751 316 N HA 0.183 4.927 4.740 0.007 0.000 0.238 316 N C 0.068 175.634 175.510 0.094 0.000 1.351 316 N CA -0.384 52.689 53.050 0.038 0.000 0.751 316 N CB -0.320 38.176 38.487 0.015 0.000 1.342 316 N HN 0.461 nan 8.380 nan 0.000 0.540 317 H N 0.812 119.883 119.070 0.003 0.000 2.321 317 H HA -0.239 4.321 4.556 0.007 0.000 0.295 317 H C 1.174 176.595 175.328 0.155 0.000 1.102 317 H CA 2.252 58.332 56.048 0.054 0.000 1.266 317 H CB 0.586 30.382 29.762 0.056 0.000 1.363 317 H HN 0.515 nan 8.280 nan 0.000 0.492 318 Q N 0.744 120.613 119.800 0.115 0.000 2.012 318 Q HA -0.246 4.098 4.340 0.007 0.000 0.211 318 Q C 2.472 178.518 176.000 0.077 0.000 1.009 318 Q CA 2.213 58.082 55.803 0.109 0.000 0.866 318 Q CB -0.305 28.450 28.738 0.028 0.000 0.945 318 Q HN 0.187 nan 8.270 nan 0.000 0.414 319 R N -0.968 119.504 120.500 -0.046 0.000 2.096 319 R HA -0.171 4.173 4.340 0.007 0.000 0.240 319 R C 2.167 178.274 176.300 -0.321 0.000 1.139 319 R CA 1.948 57.864 56.100 -0.306 0.000 0.952 319 R CB -1.332 28.771 30.300 -0.329 0.000 0.854 319 R HN 0.558 nan 8.270 nan 0.000 0.436 320 Y N 0.320 120.489 120.300 -0.219 0.000 2.081 320 Y HA -0.277 4.277 4.550 0.007 0.000 0.280 320 Y C 1.930 177.771 175.900 -0.099 0.000 1.163 320 Y CA 1.953 59.977 58.100 -0.126 0.000 1.135 320 Y CB -0.241 38.209 38.460 -0.017 0.000 0.970 320 Y HN -0.012 nan 8.280 nan 0.000 0.498 321 I N -0.525 120.041 120.570 -0.007 0.000 2.142 321 I HA -0.306 3.868 4.170 0.007 0.000 0.240 321 I C 2.504 178.466 176.117 -0.258 0.000 1.078 321 I CA 1.752 62.915 61.300 -0.228 0.000 1.343 321 I CB -1.689 36.008 38.000 -0.505 0.000 1.046 321 I HN 0.205 nan 8.210 nan 0.000 0.405 322 S N 0.007 115.644 115.700 -0.107 0.000 2.365 322 S HA -0.219 4.255 4.470 0.007 0.000 0.225 322 S C 2.077 176.798 174.600 0.201 0.000 1.039 322 S CA 1.402 59.647 58.200 0.075 0.000 1.033 322 S CB -0.567 62.771 63.200 0.230 0.000 0.887 322 S HN 0.435 nan 8.310 nan 0.000 0.447 323 Y N 1.666 121.949 120.300 -0.029 0.000 2.274 323 Y HA -0.125 4.429 4.550 0.007 0.000 0.290 323 Y C 2.819 178.669 175.900 -0.083 0.000 1.145 323 Y CA 0.607 58.688 58.100 -0.033 0.000 1.203 323 Y CB -0.319 38.153 38.460 0.021 0.000 0.984 323 Y HN 0.392 nan 8.280 nan 0.000 0.533 324 N N 1.212 119.917 118.700 0.007 0.000 2.120 324 N HA -0.188 4.556 4.740 0.007 0.000 0.188 324 N C 1.692 177.211 175.510 0.016 0.000 1.024 324 N CA 1.144 54.166 53.050 -0.048 0.000 0.852 324 N CB -0.151 38.252 38.487 -0.139 0.000 1.003 324 N HN 0.326 nan 8.380 nan 0.000 0.424 325 I N 0.890 121.448 120.570 -0.021 0.000 2.252 325 I HA -0.232 3.942 4.170 0.007 0.000 0.245 325 I C 2.000 178.139 176.117 0.037 0.000 1.102 325 I CA 0.938 62.230 61.300 -0.014 0.000 1.385 325 I CB -0.132 37.770 38.000 -0.163 0.000 1.064 325 I HN 0.120 nan 8.210 nan 0.000 0.414 326 I N 0.569 121.169 120.570 0.049 0.000 2.676 326 I HA -0.197 3.977 4.170 0.007 0.000 0.259 326 I C 2.641 178.775 176.117 0.030 0.000 1.194 326 I CA 0.846 62.178 61.300 0.052 0.000 1.473 326 I CB -0.390 37.619 38.000 0.016 0.000 1.096 326 I HN 0.156 nan 8.210 nan 0.000 0.443 327 A N 0.593 123.427 122.820 0.023 0.000 1.855 327 A HA -0.136 4.188 4.320 0.007 0.000 0.215 327 A C 2.438 180.046 177.584 0.039 0.000 1.191 327 A CA 1.659 53.686 52.037 -0.017 0.000 0.613 327 A CB -0.994 17.998 19.000 -0.013 0.000 0.829 327 A HN 0.175 nan 8.150 nan 0.000 0.442 328 V N -1.050 118.953 119.914 0.148 0.000 2.282 328 V HA -0.315 3.809 4.120 0.007 0.000 0.249 328 V C 2.427 178.675 176.094 0.258 0.000 1.057 328 V CA 2.432 64.874 62.300 0.238 0.000 1.032 328 V CB -1.049 31.007 31.823 0.388 0.000 0.645 328 V HN 0.705 nan 8.190 nan 0.000 0.447 329 Y N 1.241 121.643 120.300 0.169 0.000 2.181 329 Y HA -0.165 4.389 4.550 0.006 0.000 0.288 329 Y C 2.690 178.575 175.900 -0.024 0.000 1.146 329 Y CA 1.420 59.591 58.100 0.118 0.000 1.164 329 Y CB -0.474 37.999 38.460 0.022 0.000 0.982 329 Y HN 0.064 nan 8.280 nan 0.000 0.515 330 R N 0.051 120.457 120.500 -0.157 0.000 2.113 330 R HA -0.180 4.164 4.340 0.007 0.000 0.244 330 R C 2.402 178.530 176.300 -0.287 0.000 1.142 330 R CA 1.561 57.482 56.100 -0.300 0.000 0.953 330 R CB -1.468 28.674 30.300 -0.263 0.000 0.860 330 R HN 0.369 nan 8.270 nan 0.000 0.438 331 V N 1.001 120.797 119.914 -0.196 0.000 2.307 331 V HA -0.211 3.913 4.120 0.007 0.000 0.245 331 V C 2.406 178.342 176.094 -0.263 0.000 1.045 331 V CA 1.343 63.518 62.300 -0.209 0.000 1.024 331 V CB -0.474 31.327 31.823 -0.037 0.000 0.651 331 V HN 0.113 nan 8.190 nan 0.000 0.449 332 L N -0.175 120.951 121.223 -0.161 0.000 2.081 332 L HA -0.234 4.110 4.340 0.007 0.000 0.212 332 L C 2.522 179.288 176.870 -0.172 0.000 1.080 332 L CA 1.880 56.637 54.840 -0.139 0.000 0.754 332 L CB -0.946 41.065 42.059 -0.081 0.000 0.893 332 L HN 0.429 nan 8.230 nan 0.000 0.433 333 Q N -1.261 118.356 119.800 -0.306 0.000 2.119 333 Q HA -0.145 4.199 4.340 0.007 0.000 0.201 333 Q C 2.317 178.197 176.000 -0.201 0.000 0.972 333 Q CA 1.334 56.946 55.803 -0.318 0.000 0.847 333 Q CB -0.090 28.337 28.738 -0.517 0.000 0.903 333 Q HN 0.483 nan 8.270 nan 0.000 0.433 334 I N 0.754 121.202 120.570 -0.203 0.000 2.315 334 I HA -0.237 3.937 4.170 0.007 0.000 0.248 334 I C 1.916 177.996 176.117 -0.061 0.000 1.117 334 I CA 1.168 62.411 61.300 -0.094 0.000 1.404 334 I CB -0.064 37.910 38.000 -0.043 0.000 1.071 334 I HN 0.145 nan 8.210 nan 0.000 0.419 335 D N 0.725 121.033 120.400 -0.152 0.000 2.183 335 D HA -0.103 4.541 4.640 0.007 0.000 0.203 335 D C 2.197 178.493 176.300 -0.007 0.000 0.969 335 D CA 1.143 55.143 54.000 0.001 0.000 0.842 335 D CB 0.110 40.933 40.800 0.039 0.000 0.957 335 D HN 0.271 nan 8.370 nan 0.000 0.484 336 A N -0.014 122.781 122.820 -0.042 0.000 1.972 336 A HA -0.166 4.158 4.320 0.007 0.000 0.219 336 A C 2.139 179.695 177.584 -0.047 0.000 1.169 336 A CA 1.561 53.578 52.037 -0.033 0.000 0.635 336 A CB -0.389 18.590 19.000 -0.034 0.000 0.810 336 A HN 0.134 nan 8.150 nan 0.000 0.446 337 K N -1.308 119.055 120.400 -0.061 0.000 2.044 337 K HA 0.048 4.372 4.320 0.007 0.000 0.204 337 K C 2.173 178.710 176.600 -0.104 0.000 1.049 337 K CA 1.131 57.379 56.287 -0.065 0.000 0.945 337 K CB -0.026 32.445 32.500 -0.047 0.000 0.724 337 K HN 0.234 nan 8.250 nan 0.000 0.440 338 R N -0.041 120.353 120.500 -0.176 0.000 2.189 338 R HA 0.132 4.476 4.340 0.007 0.000 0.203 338 R C -0.229 175.809 176.300 -0.437 0.000 1.012 338 R CA 0.329 56.157 56.100 -0.454 0.000 1.015 338 R CB 0.460 30.197 30.300 -0.938 0.000 0.938 338 R HN 0.090 nan 8.270 nan 0.000 0.472 339 Q N -0.990 118.712 119.800 -0.164 0.000 2.475 339 Q HA -0.229 4.115 4.340 0.007 0.000 0.280 339 Q C 0.124 176.201 176.000 0.129 0.000 1.234 339 Q CA 0.678 56.483 55.803 0.004 0.000 0.873 339 Q CB -2.316 26.419 28.738 -0.004 0.000 1.256 339 Q HN 0.244 nan 8.270 nan 0.000 0.475 340 F N -0.433 119.631 119.950 0.190 0.000 2.259 340 F HA -0.059 4.472 4.527 0.006 0.000 0.298 340 F C 2.229 178.072 175.800 0.071 0.000 1.088 340 F CA 0.230 58.274 58.000 0.073 0.000 1.358 340 F CB -0.295 38.731 39.000 0.043 0.000 1.040 340 F HN 0.194 nan 8.300 nan 0.000 0.505 341 I N 0.020 120.823 120.570 0.389 0.000 2.142 341 I HA -0.310 3.864 4.170 0.007 0.000 0.240 341 I C 2.151 178.405 176.117 0.229 0.000 1.078 341 I CA 1.386 62.867 61.300 0.302 0.000 1.343 341 I CB -1.458 36.766 38.000 0.373 0.000 1.046 341 I HN 0.132 nan 8.210 nan 0.000 0.405 342 N N 1.037 119.893 118.700 0.261 0.000 2.043 342 N HA -0.180 4.564 4.740 0.007 0.000 0.193 342 N C 2.006 177.587 175.510 0.120 0.000 1.037 342 N CA 1.002 54.193 53.050 0.236 0.000 0.851 342 N CB -0.268 38.327 38.487 0.179 0.000 1.027 342 N HN 0.193 nan 8.380 nan 0.000 0.422 343 L N 0.286 121.537 121.223 0.047 0.000 2.034 343 L HA -0.287 4.057 4.340 0.007 0.000 0.217 343 L C 1.864 178.649 176.870 -0.140 0.000 1.077 343 L CA 1.752 56.533 54.840 -0.099 0.000 0.769 343 L CB -0.680 41.239 42.059 -0.234 0.000 0.890 343 L HN 0.292 nan 8.230 nan 0.000 0.435 344 S N -0.149 115.492 115.700 -0.099 0.000 2.345 344 S HA -0.153 4.321 4.470 0.007 0.000 0.220 344 S C 1.911 176.430 174.600 -0.135 0.000 1.031 344 S CA 1.062 59.195 58.200 -0.112 0.000 0.996 344 S CB -0.333 62.823 63.200 -0.074 0.000 0.882 344 S HN 0.351 nan 8.310 nan 0.000 0.445 345 L N 1.738 122.899 121.223 -0.103 0.000 1.997 345 L HA -0.249 4.095 4.340 0.007 0.000 0.216 345 L C 2.558 179.288 176.870 -0.233 0.000 1.074 345 L CA 1.784 56.486 54.840 -0.229 0.000 0.763 345 L CB -0.720 41.268 42.059 -0.118 0.000 0.890 345 L HN 0.407 nan 8.230 nan 0.000 0.434 346 D N -0.186 120.193 120.400 -0.034 0.000 2.117 346 D HA -0.238 4.406 4.640 0.007 0.000 0.197 346 D C 2.224 178.550 176.300 0.042 0.000 0.987 346 D CA 1.563 55.622 54.000 0.097 0.000 0.829 346 D CB 0.202 41.074 40.800 0.120 0.000 0.961 346 D HN 0.248 nan 8.370 nan 0.000 0.460 347 M N -0.069 119.503 119.600 -0.046 0.000 2.288 347 M HA 0.059 4.543 4.480 0.007 0.000 0.266 347 M C 1.968 178.273 176.300 0.007 0.000 1.072 347 M CA 1.525 56.813 55.300 -0.020 0.000 1.132 347 M CB -0.050 32.503 32.600 -0.078 0.000 1.386 347 M HN -0.035 nan 8.290 nan 0.000 0.432 348 G N -0.735 107.995 108.800 -0.118 0.000 2.421 348 G HA2 -0.241 3.723 3.960 0.007 0.000 0.216 348 G HA3 -0.241 3.723 3.960 0.007 0.000 0.216 348 G C 1.028 175.852 174.900 -0.126 0.000 1.171 348 G CA 0.870 45.867 45.100 -0.171 0.000 0.775 348 G HN 0.493 nan 8.290 nan 0.000 0.543 349 Y N -0.854 119.406 120.300 -0.067 0.000 2.352 349 Y HA -0.002 4.552 4.550 0.008 0.000 0.292 349 Y C 2.376 178.329 175.900 0.088 0.000 1.136 349 Y CA 0.403 58.468 58.100 -0.058 0.000 1.227 349 Y CB -0.638 37.662 38.460 -0.267 0.000 0.991 349 Y HN 0.351 nan 8.280 nan 0.000 0.545 350 Y N 0.014 120.387 120.300 0.121 0.000 2.200 350 Y HA -0.099 4.455 4.550 0.007 0.000 0.290 350 Y C 2.327 178.255 175.900 0.047 0.000 1.137 350 Y CA 1.364 59.509 58.100 0.076 0.000 1.163 350 Y CB -0.443 38.023 38.460 0.009 0.000 0.988 350 Y HN -0.010 nan 8.280 nan 0.000 0.518 351 A N -0.011 122.835 122.820 0.043 0.000 2.072 351 A HA 0.070 4.394 4.320 0.007 0.000 0.216 351 A C 0.856 178.445 177.584 0.008 0.000 1.156 351 A CA 0.738 52.740 52.037 -0.057 0.000 0.701 351 A CB -0.332 18.681 19.000 0.021 0.000 0.816 351 A HN 0.430 nan 8.150 nan 0.000 0.458 352 K N -0.373 120.088 120.400 0.101 0.000 3.353 352 K HA -0.132 4.192 4.320 0.007 0.000 0.272 352 K C -0.307 176.350 176.600 0.096 0.000 1.071 352 K CA 0.932 57.327 56.287 0.179 0.000 0.789 352 K CB -2.282 30.296 32.500 0.131 0.000 1.325 352 K HN 0.795 nan 8.250 nan 0.000 0.464 353 I N -3.142 117.490 120.570 0.104 0.000 3.170 353 I HA 0.311 4.485 4.170 0.007 0.000 0.312 353 I C 0.200 176.347 176.117 0.051 0.000 1.085 353 I CA -1.516 59.808 61.300 0.039 0.000 0.999 353 I CB 1.250 39.279 38.000 0.048 0.000 1.233 353 I HN 0.040 nan 8.210 nan 0.000 0.467 354 Q N 1.577 121.397 119.800 0.034 0.000 2.315 354 Q HA 0.112 4.456 4.340 0.007 0.000 0.289 354 Q C 0.840 176.868 176.000 0.047 0.000 1.044 354 Q CA -0.383 55.468 55.803 0.081 0.000 0.920 354 Q CB 1.124 29.910 28.738 0.080 0.000 1.214 354 Q HN 0.492 nan 8.270 nan 0.000 0.392 355 I N 2.414 122.991 120.570 0.012 0.000 2.194 355 I HA -0.320 3.854 4.170 0.007 0.000 0.246 355 I C 2.511 178.599 176.117 -0.047 0.000 1.093 355 I CA 1.658 62.902 61.300 -0.094 0.000 1.355 355 I CB -1.394 36.513 38.000 -0.155 0.000 1.046 355 I HN 0.800 nan 8.210 nan 0.000 0.413 356 Q N 0.157 119.978 119.800 0.034 0.000 2.515 356 Q HA -0.122 4.222 4.340 0.007 0.000 0.215 356 Q C 1.725 177.793 176.000 0.113 0.000 0.983 356 Q CA 1.271 57.139 55.803 0.107 0.000 0.905 356 Q CB -0.888 27.962 28.738 0.187 0.000 0.961 356 Q HN 0.322 nan 8.270 nan 0.000 0.503 357 S N 1.072 116.800 115.700 0.048 0.000 2.607 357 S HA -0.004 4.470 4.470 0.007 0.000 0.224 357 S C 1.778 176.384 174.600 0.010 0.000 0.969 357 S CA 0.618 58.854 58.200 0.061 0.000 0.927 357 S CB -0.173 63.058 63.200 0.052 0.000 0.772 357 S HN 0.509 nan 8.310 nan 0.000 0.533 358 V N -1.237 118.613 119.914 -0.106 0.000 3.026 358 V HA -0.076 4.048 4.120 0.007 0.000 0.265 358 V C 1.503 177.482 176.094 -0.193 0.000 1.121 358 V CA 1.458 63.670 62.300 -0.145 0.000 1.142 358 V CB -1.338 30.383 31.823 -0.170 0.000 0.730 358 V HN 0.404 nan 8.190 nan 0.000 0.503 359 F N 1.355 121.293 119.950 -0.021 0.000 2.502 359 F HA 0.207 4.738 4.527 0.008 0.000 0.298 359 F C 1.733 177.492 175.800 -0.069 0.000 1.111 359 F CA 1.154 59.096 58.000 -0.098 0.000 1.445 359 F CB -0.287 38.638 39.000 -0.124 0.000 1.081 359 F HN 0.270 nan 8.300 nan 0.000 0.558 360 S N 0.292 116.057 115.700 0.110 0.000 2.601 360 S HA 0.320 4.794 4.470 0.007 0.000 0.312 360 S C -1.813 172.841 174.600 0.091 0.000 1.107 360 S CA -1.692 56.558 58.200 0.083 0.000 1.129 360 S CB 0.885 64.131 63.200 0.076 0.000 0.982 360 S HN -0.203 nan 8.310 nan 0.000 0.469 361 P HA -0.092 nan 4.420 nan 0.000 0.216 361 P C 1.229 178.628 177.300 0.165 0.000 1.153 361 P CA 1.011 64.204 63.100 0.155 0.000 0.858 361 P CB 0.125 31.886 31.700 0.101 0.000 0.789 362 I N -0.978 119.634 120.570 0.070 0.000 2.179 362 I HA -0.267 3.907 4.170 0.007 0.000 0.242 362 I C 2.362 178.645 176.117 0.277 0.000 1.088 362 I CA 1.549 62.909 61.300 0.100 0.000 1.357 362 I CB -0.324 37.763 38.000 0.145 0.000 1.051 362 I HN -0.185 nan 8.210 nan 0.000 0.409 363 K N 0.492 121.008 120.400 0.194 0.000 2.032 363 K HA -0.149 4.175 4.320 0.007 0.000 0.209 363 K C 2.055 178.771 176.600 0.193 0.000 1.048 363 K CA 2.163 58.556 56.287 0.178 0.000 0.927 363 K CB -0.830 31.735 32.500 0.109 0.000 0.712 363 K HN 0.240 nan 8.250 nan 0.000 0.441 364 T N -0.709 113.937 114.554 0.153 0.000 2.708 364 T HA -0.137 4.217 4.350 0.007 0.000 0.266 364 T C 1.607 176.357 174.700 0.083 0.000 1.037 364 T CA 1.678 63.822 62.100 0.074 0.000 1.146 364 T CB -0.439 68.428 68.868 -0.003 0.000 0.865 364 T HN 0.384 nan 8.240 nan 0.000 0.435 365 W N 1.276 122.695 121.300 0.198 0.000 2.467 365 W HA 0.000 4.664 4.660 0.007 0.000 0.275 365 W C 2.239 179.009 176.519 0.420 0.000 1.239 365 W CA 0.372 57.884 57.345 0.279 0.000 1.266 365 W CB -0.159 29.434 29.460 0.222 0.000 1.112 365 W HN 0.245 nan 8.180 nan 0.000 0.576 366 D N -0.215 120.598 120.400 0.688 0.000 2.144 366 D HA -0.148 4.496 4.640 0.007 0.000 0.200 366 D C 2.171 178.732 176.300 0.435 0.000 0.978 366 D CA 1.761 56.117 54.000 0.592 0.000 0.833 366 D CB -0.293 40.779 40.800 0.455 0.000 0.961 366 D HN 0.022 nan 8.370 nan 0.000 0.470 367 A N -0.055 122.958 122.820 0.323 0.000 1.897 367 A HA -0.041 4.283 4.320 0.007 0.000 0.215 367 A C 2.403 180.126 177.584 0.231 0.000 1.181 367 A CA 0.872 53.085 52.037 0.293 0.000 0.620 367 A CB -0.669 18.442 19.000 0.186 0.000 0.821 367 A HN 0.295 nan 8.150 nan 0.000 0.443 368 I N -0.132 120.515 120.570 0.129 0.000 2.127 368 I HA -0.295 3.879 4.170 0.007 0.000 0.241 368 I C 2.304 178.498 176.117 0.129 0.000 1.075 368 I CA 1.625 62.934 61.300 0.014 0.000 1.334 368 I CB -0.334 37.572 38.000 -0.158 0.000 1.040 368 I HN 0.297 nan 8.210 nan 0.000 0.405 369 I N -0.142 120.595 120.570 0.278 0.000 2.226 369 I HA -0.326 3.848 4.170 0.007 0.000 0.245 369 I C 2.470 178.719 176.117 0.221 0.000 1.100 369 I CA 1.596 63.024 61.300 0.213 0.000 1.374 369 I CB -0.449 37.617 38.000 0.110 0.000 1.057 369 I HN 0.188 nan 8.210 nan 0.000 0.413 370 F N 1.969 122.021 119.950 0.170 0.000 2.069 370 F HA -0.298 4.236 4.527 0.012 0.000 0.298 370 F C 2.422 178.280 175.800 0.097 0.000 1.113 370 F CA 1.818 59.906 58.000 0.147 0.000 1.214 370 F CB -0.320 38.771 39.000 0.153 0.000 0.978 370 F HN 0.061 nan 8.300 nan 0.000 0.474 371 N N -0.194 118.342 118.700 -0.273 0.000 2.309 371 N HA -0.175 4.569 4.740 0.007 0.000 0.182 371 N C 1.963 177.322 175.510 -0.253 0.000 1.018 371 N CA 1.285 54.075 53.050 -0.433 0.000 0.876 371 N CB -0.140 38.218 38.487 -0.214 0.000 0.972 371 N HN 0.339 nan 8.380 nan 0.000 0.434 372 S N 0.194 115.820 115.700 -0.124 0.000 2.425 372 S HA 0.066 4.540 4.470 0.007 0.000 0.225 372 S C 1.773 176.346 174.600 -0.045 0.000 1.024 372 S CA 0.078 58.241 58.200 -0.061 0.000 0.951 372 S CB 0.114 63.310 63.200 -0.007 0.000 0.796 372 S HN 0.039 nan 8.310 nan 0.000 0.498 373 L N 2.430 123.632 121.223 -0.036 0.000 2.131 373 L HA 0.180 4.524 4.340 0.007 0.000 0.206 373 L C 2.330 179.190 176.870 -0.017 0.000 1.087 373 L CA 1.823 56.668 54.840 0.008 0.000 0.767 373 L CB -0.920 41.190 42.059 0.086 0.000 0.917 373 L HN 0.419 nan 8.230 nan 0.000 0.441 374 K N 0.250 120.579 120.400 -0.119 0.000 2.097 374 K HA -0.228 4.096 4.320 0.007 0.000 0.205 374 K C 1.867 178.438 176.600 -0.048 0.000 1.050 374 K CA 1.537 57.761 56.287 -0.106 0.000 0.938 374 K CB -0.169 32.133 32.500 -0.330 0.000 0.718 374 K HN 0.289 nan 8.250 nan 0.000 0.442 375 E N 0.957 121.111 120.200 -0.076 0.000 2.267 375 E HA -0.229 4.125 4.350 0.007 0.000 0.197 375 E C 1.292 177.893 176.600 0.001 0.000 0.998 375 E CA 1.595 57.977 56.400 -0.029 0.000 0.830 375 E CB -0.018 29.663 29.700 -0.031 0.000 0.751 375 E HN 0.565 nan 8.360 nan 0.000 0.491 376 Q N -0.493 119.312 119.800 0.009 0.000 2.247 376 Q HA 0.195 4.539 4.340 0.007 0.000 0.204 376 Q C -0.220 175.809 176.000 0.049 0.000 0.872 376 Q CA 0.093 55.910 55.803 0.023 0.000 0.951 376 Q CB 0.478 29.227 28.738 0.018 0.000 1.099 376 Q HN 0.251 nan 8.270 nan 0.000 0.501 377 N N 0.851 119.593 118.700 0.070 0.000 2.782 377 N HA -0.144 4.600 4.740 0.007 0.000 0.251 377 N C -0.861 174.761 175.510 0.186 0.000 1.101 377 N CA 1.141 54.264 53.050 0.122 0.000 0.764 377 N CB -0.614 37.864 38.487 -0.015 0.000 1.122 377 N HN 0.290 nan 8.380 nan 0.000 0.561 378 K N 0.373 120.850 120.400 0.129 0.000 2.090 378 K HA 0.601 4.925 4.320 0.007 0.000 0.249 378 K C 0.280 176.902 176.600 0.037 0.000 0.995 378 K CA -0.590 55.771 56.287 0.123 0.000 0.914 378 K CB 1.785 34.346 32.500 0.101 0.000 1.057 378 K HN -0.164 nan 8.250 nan 0.000 0.462 379 V N 3.062 122.977 119.914 0.003 0.000 2.444 379 V HA 0.271 4.395 4.120 0.007 0.000 0.294 379 V C 0.311 176.447 176.094 0.070 0.000 1.022 379 V CA -1.034 61.196 62.300 -0.117 0.000 0.850 379 V CB 1.294 32.894 31.823 -0.372 0.000 0.992 379 V HN 0.700 nan 8.190 nan 0.000 0.426 380 I N 4.465 125.122 120.570 0.145 0.000 2.692 380 I HA 0.419 4.593 4.170 0.007 0.000 0.284 380 I C -2.021 174.170 176.117 0.123 0.000 1.159 380 I CA -1.435 59.985 61.300 0.200 0.000 1.423 380 I CB 1.160 39.322 38.000 0.270 0.000 1.380 380 I HN 0.391 nan 8.210 nan 0.000 0.580 381 P HA -0.012 nan 4.420 nan 0.000 0.272 381 P C -0.940 176.351 177.300 -0.015 0.000 1.223 381 P CA -0.178 62.961 63.100 0.065 0.000 0.784 381 P CB 0.642 32.382 31.700 0.067 0.000 0.923 382 Q N 1.058 120.862 119.800 0.006 0.000 2.286 382 Q HA 0.144 4.488 4.340 0.007 0.000 0.290 382 Q C 0.550 176.512 176.000 -0.063 0.000 1.049 382 Q CA -0.036 55.752 55.803 -0.025 0.000 0.923 382 Q CB 0.092 28.813 28.738 -0.029 0.000 1.183 382 Q HN 0.603 nan 8.270 nan 0.000 0.383 383 G N 4.816 113.572 108.800 -0.073 0.000 2.254 383 G HA2 0.021 3.985 3.960 0.007 0.000 0.253 383 G HA3 0.021 3.985 3.960 0.007 0.000 0.253 383 G C -0.352 174.497 174.900 -0.086 0.000 1.246 383 G CA -0.250 44.807 45.100 -0.072 0.000 0.946 383 G HN 0.572 nan 8.290 nan 0.000 0.474 384 R N 1.001 121.428 120.500 -0.121 0.000 2.828 384 R HA 0.541 4.885 4.340 0.007 0.000 0.264 384 R C 0.222 176.272 176.300 -0.416 0.000 1.022 384 R CA -0.649 55.307 56.100 -0.240 0.000 1.021 384 R CB 1.856 32.005 30.300 -0.252 0.000 1.163 384 R HN 0.633 nan 8.270 nan 0.000 0.494 385 S N 0.278 115.691 115.700 -0.479 0.000 2.616 385 S HA 0.412 4.886 4.470 0.007 0.000 0.277 385 S C -0.780 173.407 174.600 -0.689 0.000 1.234 385 S CA -0.478 57.420 58.200 -0.503 0.000 1.028 385 S CB 0.866 63.882 63.200 -0.306 0.000 0.988 385 S HN 0.673 nan 8.310 nan 0.000 0.522 386 H N 1.217 120.120 119.070 -0.278 0.000 3.042 386 H HA 0.437 4.997 4.556 0.006 0.000 0.345 386 H C -2.582 172.621 175.328 -0.209 0.000 1.052 386 H CA -1.312 54.621 56.048 -0.192 0.000 1.311 386 H CB 1.573 31.232 29.762 -0.172 0.000 1.810 386 H HN 0.606 nan 8.280 nan 0.000 0.505 387 P HA 0.006 nan 4.420 nan 0.000 0.268 387 P C -0.219 177.082 177.300 0.003 0.000 1.204 387 P CA -0.325 62.772 63.100 -0.004 0.000 0.768 387 P CB 0.943 32.657 31.700 0.024 0.000 0.842 388 V N 4.209 124.115 119.914 -0.014 0.000 2.450 388 V HA 0.025 4.149 4.120 0.007 0.000 0.281 388 V C 0.842 176.974 176.094 0.063 0.000 1.019 388 V CA 0.404 62.709 62.300 0.009 0.000 1.062 388 V CB -0.673 31.163 31.823 0.021 0.000 0.979 388 V HN 0.526 nan 8.190 nan 0.000 0.477 389 Q N 5.243 125.113 119.800 0.117 0.000 2.331 389 Q HA 0.420 4.764 4.340 0.007 0.000 0.267 389 Q C -2.380 173.745 176.000 0.208 0.000 1.006 389 Q CA -1.780 54.109 55.803 0.142 0.000 0.818 389 Q CB 2.425 31.249 28.738 0.143 0.000 1.276 389 Q HN 0.566 nan 8.270 nan 0.000 0.450 390 P HA -0.007 nan 4.420 nan 0.000 0.269 390 P C -1.470 175.960 177.300 0.218 0.000 1.217 390 P CA 0.286 63.453 63.100 0.113 0.000 0.783 390 P CB 0.228 31.961 31.700 0.057 0.000 0.898 391 Y N -1.502 118.847 120.300 0.081 0.000 2.592 391 Y HA 0.614 5.168 4.550 0.007 0.000 0.334 391 Y C -2.906 173.049 175.900 0.092 0.000 1.136 391 Y CA -2.743 55.402 58.100 0.074 0.000 1.042 391 Y CB -0.338 38.163 38.460 0.070 0.000 1.325 391 Y HN 0.232 nan 8.280 nan 0.000 0.457 392 P HA 0.405 nan 4.420 nan 0.000 0.272 392 P C -0.174 177.203 177.300 0.128 0.000 1.223 392 P CA 0.245 63.414 63.100 0.115 0.000 0.784 392 P CB 1.556 33.331 31.700 0.125 0.000 0.923 393 G N 0.070 108.939 108.800 0.116 0.000 3.194 393 G HA2 0.522 4.486 3.960 0.007 0.000 0.160 393 G HA3 0.522 4.486 3.960 0.007 0.000 0.160 393 G C -0.759 174.269 174.900 0.214 0.000 1.267 393 G CA -0.229 44.969 45.100 0.164 0.000 0.962 393 G HN 0.594 nan 8.290 nan 0.000 0.612 394 A N -0.343 122.613 122.820 0.227 0.000 3.175 394 A HA 0.584 4.908 4.320 0.007 0.000 0.289 394 A C -0.255 177.466 177.584 0.229 0.000 1.429 394 A CA -0.699 51.475 52.037 0.228 0.000 1.155 394 A CB -0.889 18.240 19.000 0.215 0.000 1.169 394 A HN 0.411 nan 8.150 nan 0.000 0.574 395 F N 1.174 121.180 119.950 0.095 0.000 2.613 395 F HA 0.101 4.632 4.527 0.006 0.000 0.373 395 F C 0.284 176.128 175.800 0.073 0.000 1.085 395 F CA 1.389 59.439 58.000 0.084 0.000 1.309 395 F CB 0.623 39.672 39.000 0.081 0.000 0.986 395 F HN 0.240 nan 8.300 nan 0.000 0.592 396 V N 6.126 125.852 119.914 -0.313 0.000 2.588 396 V HA 0.295 4.419 4.120 0.007 0.000 0.304 396 V C -0.192 175.740 176.094 -0.270 0.000 1.042 396 V CA -1.379 60.796 62.300 -0.208 0.000 0.877 396 V CB 1.751 33.493 31.823 -0.134 0.000 0.996 396 V HN 0.609 nan 8.190 nan 0.000 0.425 397 K N 1.920 122.260 120.400 -0.099 0.000 2.218 397 K HA 0.318 4.642 4.320 0.007 0.000 0.276 397 K C 0.064 176.696 176.600 0.055 0.000 1.022 397 K CA -0.500 55.782 56.287 -0.009 0.000 0.946 397 K CB 0.955 33.497 32.500 0.069 0.000 1.000 397 K HN 0.783 nan 8.250 nan 0.000 0.468 398 E N 4.809 125.042 120.200 0.055 0.000 2.493 398 E HA 0.012 4.366 4.350 0.007 0.000 0.255 398 E C -2.155 174.501 176.600 0.092 0.000 0.999 398 E CA -1.132 55.318 56.400 0.083 0.000 0.934 398 E CB 0.426 30.171 29.700 0.074 0.000 0.940 398 E HN 0.196 nan 8.360 nan 0.000 0.473 399 P HA 0.150 nan 4.420 nan 0.000 0.277 399 P C -0.508 176.821 177.300 0.048 0.000 1.240 399 P CA -0.212 62.884 63.100 -0.007 0.000 0.798 399 P CB 0.676 32.243 31.700 -0.223 0.000 0.979 400 I N 3.222 123.834 120.570 0.069 0.000 2.452 400 I HA 0.128 4.302 4.170 0.007 0.000 0.287 400 I C -1.910 174.327 176.117 0.201 0.000 1.079 400 I CA -2.043 59.327 61.300 0.118 0.000 1.387 400 I CB 0.160 38.224 38.000 0.107 0.000 1.404 400 I HN 0.126 nan 8.210 nan 0.000 0.522 401 P HA 0.120 nan 4.420 nan 0.000 0.265 401 P C -0.836 176.564 177.300 0.167 0.000 1.222 401 P CA 0.146 63.377 63.100 0.219 0.000 0.767 401 P CB 0.244 32.031 31.700 0.144 0.000 0.801 402 N N 0.986 119.831 118.700 0.243 0.000 2.961 402 N HA 0.196 4.940 4.740 0.007 0.000 0.245 402 N C -0.767 174.762 175.510 0.031 0.000 1.404 402 N CA -1.015 52.021 53.050 -0.023 0.000 0.880 402 N CB 1.554 39.819 38.487 -0.370 0.000 1.461 402 N HN 0.204 nan 8.380 nan 0.000 0.510 403 R N 0.607 121.059 120.500 -0.079 0.000 2.738 403 R HA 0.203 4.547 4.340 0.007 0.000 0.268 403 R C -1.395 174.760 176.300 -0.242 0.000 1.062 403 R CA 0.330 56.441 56.100 0.017 0.000 1.158 403 R CB 0.283 30.572 30.300 -0.017 0.000 1.046 403 R HN 0.442 nan 8.270 nan 0.000 0.493 404 Y N 0.326 120.732 120.300 0.177 0.000 2.330 404 Y HA 0.203 4.757 4.550 0.007 0.000 0.324 404 Y C 0.580 176.532 175.900 0.086 0.000 1.093 404 Y CA -0.879 57.310 58.100 0.149 0.000 1.103 404 Y CB 2.107 40.709 38.460 0.237 0.000 1.183 404 Y HN 0.733 nan 8.280 nan 0.000 0.433 405 K N 2.174 122.631 120.400 0.096 0.000 1.980 405 K HA 0.078 4.402 4.320 0.007 0.000 0.208 405 K C -0.737 175.663 176.600 -0.334 0.000 1.043 405 K CA 1.401 57.574 56.287 -0.189 0.000 0.938 405 K CB 0.126 32.462 32.500 -0.273 0.000 0.724 405 K HN 0.581 nan 8.250 nan 0.000 0.438 406 Y N 0.013 120.367 120.300 0.090 0.000 2.341 406 Y HA 0.472 5.025 4.550 0.007 0.000 0.338 406 Y C -1.000 175.015 175.900 0.191 0.000 0.965 406 Y CA -1.119 57.017 58.100 0.059 0.000 1.108 406 Y CB 1.988 40.360 38.460 -0.146 0.000 1.180 406 Y HN -0.286 nan 8.280 nan 0.000 0.458 407 V N 5.188 125.334 119.914 0.386 0.000 2.686 407 V HA 0.467 4.591 4.120 0.007 0.000 0.306 407 V C -0.471 175.845 176.094 0.370 0.000 1.065 407 V CA -1.040 61.486 62.300 0.376 0.000 0.894 407 V CB 1.886 33.953 31.823 0.407 0.000 1.004 407 V HN 0.741 nan 8.190 nan 0.000 0.424 408 M N 3.862 123.667 119.600 0.342 0.000 2.364 408 M HA 0.643 5.127 4.480 0.007 0.000 0.334 408 M C -0.056 176.372 176.300 0.213 0.000 1.107 408 M CA -0.395 55.050 55.300 0.243 0.000 0.988 408 M CB 2.042 34.796 32.600 0.257 0.000 1.673 408 M HN 0.692 nan 8.290 nan 0.000 0.441 409 S N 1.655 117.345 115.700 -0.017 0.000 2.664 409 S HA 0.884 5.358 4.470 0.007 0.000 0.304 409 S C -1.054 173.316 174.600 -0.383 0.000 1.099 409 S CA -0.620 57.468 58.200 -0.188 0.000 1.003 409 S CB 1.383 64.318 63.200 -0.443 0.000 1.092 409 S HN 0.523 nan 8.310 nan 0.000 0.525 410 F N 0.288 120.120 119.950 -0.197 0.000 2.573 410 F HA 0.442 4.973 4.527 0.006 0.000 0.316 410 F C -0.722 175.036 175.800 -0.069 0.000 1.148 410 F CA -0.675 57.281 58.000 -0.074 0.000 0.940 410 F CB 2.154 41.143 39.000 -0.019 0.000 1.214 410 F HN 0.515 nan 8.300 nan 0.000 0.448 411 D N 3.254 123.726 120.400 0.120 0.000 2.248 411 D HA 0.467 5.111 4.640 0.007 0.000 0.246 411 D C -0.409 175.968 176.300 0.129 0.000 1.027 411 D CA -0.387 53.668 54.000 0.091 0.000 0.853 411 D CB 2.597 43.427 40.800 0.050 0.000 1.243 411 D HN 0.328 nan 8.370 nan 0.000 0.462 412 L N 1.176 122.463 121.223 0.107 0.000 2.380 412 L HA 0.150 4.494 4.340 0.007 0.000 0.273 412 L C 0.866 177.773 176.870 0.062 0.000 1.138 412 L CA 0.080 54.968 54.840 0.079 0.000 0.832 412 L CB 0.565 42.636 42.059 0.020 0.000 1.124 412 L HN 0.210 nan 8.230 nan 0.000 0.454 413 T N 2.202 116.805 114.554 0.081 0.000 2.817 413 T HA -0.016 4.338 4.350 0.007 0.000 0.295 413 T C 0.614 175.359 174.700 0.074 0.000 0.958 413 T CA -0.019 62.142 62.100 0.101 0.000 1.157 413 T CB 0.373 69.355 68.868 0.189 0.000 0.898 413 T HN 0.726 nan 8.240 nan 0.000 0.536 414 S N 2.268 118.018 115.700 0.082 0.000 3.356 414 S HA -0.137 4.337 4.470 0.007 0.000 0.376 414 S C 1.165 175.799 174.600 0.056 0.000 0.924 414 S CA -0.252 58.010 58.200 0.103 0.000 1.316 414 S CB -1.016 62.351 63.200 0.279 0.000 0.922 414 S HN 0.646 nan 8.310 nan 0.000 0.553 415 L N 2.602 123.824 121.223 -0.002 0.000 1.944 415 L HA -0.133 4.211 4.340 0.007 0.000 0.218 415 L C 1.943 178.897 176.870 0.141 0.000 1.075 415 L CA 2.235 57.091 54.840 0.025 0.000 0.767 415 L CB -0.853 41.202 42.059 -0.007 0.000 0.890 415 L HN 0.686 nan 8.230 nan 0.000 0.434 416 Y N -0.355 119.893 120.300 -0.087 0.000 2.242 416 Y HA -0.032 4.521 4.550 0.006 0.000 0.291 416 Y C -0.126 175.709 175.900 -0.108 0.000 1.137 416 Y CA 0.435 58.456 58.100 -0.132 0.000 1.181 416 Y CB -2.574 35.748 38.460 -0.230 0.000 0.989 416 Y HN 0.339 nan 8.280 nan 0.000 0.527 417 P HA -0.069 nan 4.420 nan 0.000 0.218 417 P C 1.747 178.973 177.300 -0.123 0.000 1.149 417 P CA 1.891 65.002 63.100 0.018 0.000 0.817 417 P CB 0.098 31.883 31.700 0.142 0.000 0.785 418 S N -0.832 114.791 115.700 -0.129 0.000 2.387 418 S HA -0.034 4.440 4.470 0.007 0.000 0.226 418 S C 1.865 176.286 174.600 -0.298 0.000 1.026 418 S CA 0.805 58.840 58.200 -0.277 0.000 0.972 418 S CB -0.929 62.100 63.200 -0.285 0.000 0.814 418 S HN 0.107 nan 8.310 nan 0.000 0.477 419 I N 1.463 121.894 120.570 -0.232 0.000 2.142 419 I HA -0.205 3.969 4.170 0.007 0.000 0.240 419 I C 2.073 177.928 176.117 -0.437 0.000 1.078 419 I CA 1.232 62.310 61.300 -0.370 0.000 1.343 419 I CB -0.449 37.386 38.000 -0.274 0.000 1.046 419 I HN 0.231 nan 8.210 nan 0.000 0.405 420 I N 0.497 120.875 120.570 -0.320 0.000 2.113 420 I HA -0.378 3.796 4.170 0.007 0.000 0.242 420 I C 2.784 178.700 176.117 -0.336 0.000 1.064 420 I CA 1.747 62.855 61.300 -0.320 0.000 1.320 420 I CB -0.390 37.480 38.000 -0.218 0.000 1.028 420 I HN 0.174 nan 8.210 nan 0.000 0.406 421 R N -0.070 120.247 120.500 -0.306 0.000 2.066 421 R HA -0.211 4.133 4.340 0.007 0.000 0.232 421 R C 2.313 178.431 176.300 -0.303 0.000 1.131 421 R CA 1.580 57.504 56.100 -0.294 0.000 0.955 421 R CB -0.446 29.661 30.300 -0.322 0.000 0.851 421 R HN 0.420 nan 8.270 nan 0.000 0.432 422 Q N 0.701 120.293 119.800 -0.347 0.000 2.014 422 Q HA -0.179 4.165 4.340 0.007 0.000 0.207 422 Q C 1.853 177.661 176.000 -0.321 0.000 0.993 422 Q CA 2.238 57.849 55.803 -0.319 0.000 0.850 422 Q CB 0.030 28.567 28.738 -0.335 0.000 0.916 422 Q HN 0.196 nan 8.270 nan 0.000 0.417 423 V N 0.739 120.373 119.914 -0.468 0.000 2.871 423 V HA -0.091 4.033 4.120 0.007 0.000 0.256 423 V C 0.618 176.489 176.094 -0.372 0.000 1.082 423 V CA 0.986 63.016 62.300 -0.451 0.000 1.105 423 V CB -0.911 30.518 31.823 -0.656 0.000 0.713 423 V HN 0.704 nan 8.190 nan 0.000 0.473 424 N N -0.275 118.202 118.700 -0.372 0.000 2.814 424 N HA -0.184 4.560 4.740 0.007 0.000 0.247 424 N C -0.558 174.657 175.510 -0.491 0.000 1.089 424 N CA 0.251 53.116 53.050 -0.309 0.000 0.682 424 N CB -1.535 36.865 38.487 -0.144 0.000 0.970 424 N HN 0.544 nan 8.380 nan 0.000 0.554 425 I N 0.462 120.645 120.570 -0.645 0.000 2.396 425 I HA 0.328 4.502 4.170 0.007 0.000 0.289 425 I C 0.670 176.552 176.117 -0.391 0.000 1.056 425 I CA 0.137 60.934 61.300 -0.839 0.000 1.365 425 I CB 1.258 38.810 38.000 -0.746 0.000 1.407 425 I HN 0.254 nan 8.210 nan 0.000 0.509 426 S N 6.493 122.059 115.700 -0.223 0.000 2.552 426 S HA 0.405 4.879 4.470 0.007 0.000 0.272 426 S C -2.227 172.389 174.600 0.028 0.000 1.150 426 S CA -0.964 57.185 58.200 -0.086 0.000 0.849 426 S CB 1.746 64.889 63.200 -0.096 0.000 1.113 426 S HN 0.219 nan 8.310 nan 0.000 0.458 427 P HA -0.115 nan 4.420 nan 0.000 0.215 427 P C 1.300 178.645 177.300 0.075 0.000 1.153 427 P CA 1.084 64.230 63.100 0.077 0.000 0.853 427 P CB 0.037 31.798 31.700 0.101 0.000 0.788 428 E N -0.017 120.118 120.200 -0.108 0.000 2.427 428 E HA -0.084 4.270 4.350 0.007 0.000 0.196 428 E C 1.024 177.664 176.600 0.066 0.000 1.028 428 E CA 1.460 57.715 56.400 -0.241 0.000 0.864 428 E CB -1.197 28.143 29.700 -0.600 0.000 0.813 428 E HN 0.289 nan 8.360 nan 0.000 0.514 429 T N -0.978 113.677 114.554 0.168 0.000 3.107 429 T HA 0.280 4.634 4.350 0.007 0.000 0.249 429 T C 1.199 176.144 174.700 0.408 0.000 1.096 429 T CA -0.444 61.877 62.100 0.368 0.000 1.012 429 T CB -0.397 68.636 68.868 0.275 0.000 0.977 429 T HN 0.031 nan 8.240 nan 0.000 0.527 430 I N 1.779 122.499 120.570 0.250 0.000 2.752 430 I HA 0.225 4.399 4.170 0.007 0.000 0.289 430 I C 1.321 177.332 176.117 -0.177 0.000 1.197 430 I CA 0.018 61.261 61.300 -0.095 0.000 1.432 430 I CB 0.829 38.797 38.000 -0.053 0.000 1.359 430 I HN 0.326 nan 8.210 nan 0.000 0.571 431 A N 4.591 127.053 122.820 -0.597 0.000 2.226 431 A HA 0.650 4.974 4.320 0.007 0.000 0.207 431 A C 0.715 177.894 177.584 -0.675 0.000 1.293 431 A CA 0.554 52.037 52.037 -0.923 0.000 0.968 431 A CB 0.550 18.450 19.000 -1.834 0.000 1.044 431 A HN 0.907 nan 8.150 nan 0.000 0.493 432 G N -1.317 107.144 108.800 -0.566 0.000 2.367 432 G HA2 0.492 4.456 3.960 0.007 0.000 0.272 432 G HA3 0.492 4.456 3.960 0.007 0.000 0.272 432 G C -0.484 174.216 174.900 -0.333 0.000 1.271 432 G CA 0.488 45.360 45.100 -0.380 0.000 0.893 432 G HN 1.091 nan 8.290 nan 0.000 0.485 433 T N -1.906 112.516 114.554 -0.220 0.000 2.838 433 T HA 0.869 5.223 4.350 0.007 0.000 0.292 433 T C -0.592 174.087 174.700 -0.034 0.000 1.113 433 T CA -0.149 61.838 62.100 -0.189 0.000 1.008 433 T CB 2.111 70.839 68.868 -0.232 0.000 1.259 433 T HN 1.856 nan 8.240 nan 0.000 0.520 434 F N -1.481 118.408 119.950 -0.101 0.000 2.691 434 F HA 0.764 5.295 4.527 0.006 0.000 0.334 434 F C -0.444 175.346 175.800 -0.018 0.000 1.107 434 F CA -1.528 56.444 58.000 -0.048 0.000 0.991 434 F CB 1.426 40.406 39.000 -0.034 0.000 1.400 434 F HN 0.485 nan 8.300 nan 0.000 0.503 435 K N 2.565 123.118 120.400 0.254 0.000 2.250 435 K HA 0.367 4.691 4.320 0.007 0.000 0.285 435 K C -0.989 175.747 176.600 0.226 0.000 1.097 435 K CA -0.334 56.031 56.287 0.129 0.000 0.913 435 K CB 0.810 33.392 32.500 0.136 0.000 1.179 435 K HN 0.642 nan 8.250 nan 0.000 0.462 436 V N 2.096 122.010 119.914 0.000 0.000 2.508 436 V HA 0.290 4.414 4.120 0.007 0.000 0.281 436 V C 0.677 176.904 176.094 0.221 0.000 1.041 436 V CA -0.958 61.423 62.300 0.136 0.000 1.016 436 V CB 0.608 32.388 31.823 -0.073 0.000 0.984 436 V HN 0.675 nan 8.190 nan 0.000 0.478 437 A N 6.198 129.223 122.820 0.342 0.000 2.271 437 A HA 0.790 5.114 4.320 0.007 0.000 0.288 437 A C -2.140 175.543 177.584 0.164 0.000 1.094 437 A CA -1.703 50.386 52.037 0.088 0.000 0.828 437 A CB -0.135 18.736 19.000 -0.215 0.000 1.091 437 A HN 0.774 nan 8.150 nan 0.000 0.493 438 P HA 0.059 nan 4.420 nan 0.000 0.269 438 P C 0.943 178.375 177.300 0.219 0.000 1.217 438 P CA -0.342 62.834 63.100 0.128 0.000 0.783 438 P CB 0.392 32.135 31.700 0.072 0.000 0.898 439 L N 2.446 123.824 121.223 0.257 0.000 2.043 439 L HA -0.239 4.105 4.340 0.007 0.000 0.212 439 L C 2.373 179.424 176.870 0.303 0.000 1.075 439 L CA 2.103 57.138 54.840 0.325 0.000 0.752 439 L CB -1.283 40.901 42.059 0.208 0.000 0.891 439 L HN 0.542 nan 8.230 nan 0.000 0.432 440 H N -0.940 118.202 119.070 0.120 0.000 2.357 440 H HA -0.239 4.321 4.556 0.007 0.000 0.296 440 H C 1.700 177.071 175.328 0.072 0.000 1.108 440 H CA 2.323 58.423 56.048 0.087 0.000 1.273 440 H CB -0.100 29.690 29.762 0.047 0.000 1.367 440 H HN 0.420 nan 8.280 nan 0.000 0.498 441 D N -0.563 119.912 120.400 0.126 0.000 2.218 441 D HA -0.133 4.511 4.640 0.007 0.000 0.204 441 D C 1.543 177.804 176.300 -0.066 0.000 0.976 441 D CA 1.079 55.052 54.000 -0.044 0.000 0.853 441 D CB -0.258 40.451 40.800 -0.152 0.000 0.939 441 D HN 0.556 nan 8.370 nan 0.000 0.481 442 Y N 0.305 120.736 120.300 0.219 0.000 2.314 442 Y HA 0.135 4.690 4.550 0.007 0.000 0.294 442 Y C 2.324 178.489 175.900 0.441 0.000 1.119 442 Y CA 0.023 58.327 58.100 0.339 0.000 1.179 442 Y CB -0.348 38.220 38.460 0.181 0.000 1.025 442 Y HN -0.093 nan 8.280 nan 0.000 0.541 443 I N 0.356 121.176 120.570 0.417 0.000 2.208 443 I HA -0.346 3.829 4.170 0.007 0.000 0.245 443 I C 1.306 177.505 176.117 0.136 0.000 1.097 443 I CA 1.485 62.991 61.300 0.343 0.000 1.363 443 I CB -0.236 37.865 38.000 0.169 0.000 1.051 443 I HN 0.255 nan 8.210 nan 0.000 0.413 444 N N 0.910 119.587 118.700 -0.039 0.000 2.398 444 N HA 0.161 4.905 4.740 0.007 0.000 0.188 444 N C 0.467 175.888 175.510 -0.148 0.000 1.122 444 N CA 0.826 53.763 53.050 -0.189 0.000 0.866 444 N CB 0.277 38.586 38.487 -0.298 0.000 0.970 444 N HN 0.277 nan 8.380 nan 0.000 0.462 445 A N -0.259 122.590 122.820 0.048 0.000 2.546 445 A HA -0.145 4.179 4.320 0.007 0.000 0.295 445 A C 0.718 178.271 177.584 -0.052 0.000 1.455 445 A CA 0.597 52.618 52.037 -0.026 0.000 0.730 445 A CB -1.782 17.073 19.000 -0.242 0.000 1.111 445 A HN 0.096 nan 8.150 nan 0.000 0.411 446 V N -0.577 119.356 119.914 0.032 0.000 3.368 446 V HA 0.423 4.547 4.120 0.007 0.000 0.255 446 V C 1.438 177.549 176.094 0.027 0.000 1.466 446 V CA 0.850 63.153 62.300 0.004 0.000 1.095 446 V CB 0.366 32.178 31.823 -0.018 0.000 0.899 446 V HN 1.767 nan 8.190 nan 0.000 0.440 447 A N 1.635 124.465 122.820 0.016 0.000 2.351 447 A HA 0.433 4.757 4.320 0.007 0.000 0.257 447 A C 0.510 178.185 177.584 0.152 0.000 1.087 447 A CA -0.202 51.802 52.037 -0.055 0.000 0.798 447 A CB 0.048 18.722 19.000 -0.543 0.000 1.033 447 A HN 0.583 nan 8.150 nan 0.000 0.488 448 E N 2.438 122.705 120.200 0.113 0.000 2.398 448 E HA 0.086 4.440 4.350 0.007 0.000 0.263 448 E C -0.480 176.213 176.600 0.155 0.000 1.046 448 E CA -0.487 55.998 56.400 0.141 0.000 0.908 448 E CB 0.524 30.275 29.700 0.086 0.000 0.963 448 E HN 0.513 nan 8.360 nan 0.000 0.431 449 R N 3.045 123.644 120.500 0.166 0.000 2.504 449 R HA -0.028 4.316 4.340 0.007 0.000 0.291 449 R C -1.561 174.651 176.300 -0.147 0.000 0.974 449 R CA -0.730 55.380 56.100 0.017 0.000 1.077 449 R CB 0.080 30.419 30.300 0.064 0.000 0.926 449 R HN 0.562 nan 8.270 nan 0.000 0.407 450 P HA -0.143 nan 4.420 nan 0.000 0.215 450 P C 0.157 177.225 177.300 -0.387 0.000 1.157 450 P CA 1.324 63.976 63.100 -0.746 0.000 0.874 450 P CB 0.280 30.991 31.700 -1.648 0.000 0.790 451 S N -2.755 112.785 115.700 -0.266 0.000 2.547 451 S HA 0.297 4.771 4.470 0.007 0.000 0.270 451 S C -0.742 173.804 174.600 -0.089 0.000 1.150 451 S CA -0.610 57.521 58.200 -0.115 0.000 0.850 451 S CB 1.148 64.327 63.200 -0.035 0.000 1.118 451 S HN -0.138 nan 8.310 nan 0.000 0.461 452 D N 2.010 122.365 120.400 -0.075 0.000 2.363 452 D HA 0.223 4.867 4.640 0.007 0.000 0.214 452 D C 0.992 177.216 176.300 -0.127 0.000 1.093 452 D CA 0.816 54.770 54.000 -0.076 0.000 0.837 452 D CB 0.698 41.468 40.800 -0.050 0.000 0.948 452 D HN 0.324 nan 8.370 nan 0.000 0.507 453 V N -1.338 118.449 119.914 -0.212 0.000 3.431 453 V HA 0.370 4.494 4.120 0.007 0.000 0.255 453 V C -0.725 175.037 176.094 -0.553 0.000 1.403 453 V CA 0.029 62.086 62.300 -0.405 0.000 1.101 453 V CB -0.140 31.362 31.823 -0.534 0.000 0.891 453 V HN -0.091 nan 8.190 nan 0.000 0.446 454 Y N 1.022 121.281 120.300 -0.068 0.000 2.567 454 Y HA 0.722 5.276 4.550 0.006 0.000 0.333 454 Y C 0.623 176.482 175.900 -0.067 0.000 1.106 454 Y CA -0.444 57.606 58.100 -0.082 0.000 1.157 454 Y CB 1.558 39.931 38.460 -0.145 0.000 1.277 454 Y HN 0.044 nan 8.280 nan 0.000 0.490 455 S N 0.899 116.690 115.700 0.152 0.000 2.513 455 S HA 0.561 5.035 4.470 0.007 0.000 0.276 455 S C -0.808 173.870 174.600 0.131 0.000 1.254 455 S CA -0.394 57.859 58.200 0.088 0.000 1.053 455 S CB -0.375 62.864 63.200 0.066 0.000 0.958 455 S HN 0.678 nan 8.310 nan 0.000 0.491 456 C N 3.022 122.362 119.300 0.066 0.000 2.667 456 C HA 0.850 5.314 4.460 0.007 0.000 0.323 456 C C 0.291 175.380 174.990 0.165 0.000 1.214 456 C CA -0.727 58.350 59.018 0.099 0.000 1.721 456 C CB 1.600 29.277 27.740 -0.105 0.000 2.275 456 C HN 0.831 nan 8.230 nan 0.000 0.491 457 S N 0.518 116.367 115.700 0.247 0.000 2.526 457 S HA 0.570 5.044 4.470 0.007 0.000 0.293 457 S C -2.297 172.410 174.600 0.178 0.000 1.092 457 S CA -1.019 57.342 58.200 0.269 0.000 0.980 457 S CB 1.599 64.927 63.200 0.213 0.000 1.048 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 P HA 0.035 nan 4.420 nan 0.000 0.247 458 P C 0.665 177.910 177.300 -0.091 0.000 1.225 458 P CA 0.349 63.342 63.100 -0.178 0.000 0.768 458 P CB -0.308 31.206 31.700 -0.309 0.000 1.020 459 N N -0.254 118.414 118.700 -0.054 0.000 2.463 459 N HA 0.003 4.747 4.740 0.007 0.000 0.181 459 N C 1.273 176.623 175.510 -0.267 0.000 1.078 459 N CA 1.144 54.133 53.050 -0.100 0.000 0.902 459 N CB -0.675 37.781 38.487 -0.051 0.000 0.970 459 N HN 0.196 nan 8.380 nan 0.000 0.451 460 G N -0.680 107.853 108.800 -0.445 0.000 2.205 460 G HA2 -0.148 3.816 3.960 0.007 0.000 0.180 460 G HA3 -0.148 3.816 3.960 0.007 0.000 0.180 460 G C -0.229 174.231 174.900 -0.733 0.000 1.004 460 G CA -0.200 44.211 45.100 -1.149 0.000 0.670 460 G HN 0.130 nan 8.290 nan 0.000 0.496 461 M N 0.993 120.435 119.600 -0.264 0.000 2.250 461 M HA 0.669 5.153 4.480 0.007 0.000 0.344 461 M C 0.611 176.809 176.300 -0.170 0.000 1.150 461 M CA 0.187 55.335 55.300 -0.254 0.000 1.147 461 M CB 0.800 33.256 32.600 -0.239 0.000 1.498 461 M HN 0.221 nan 8.290 nan 0.000 0.461 462 M N 2.512 121.838 119.600 -0.456 0.000 2.464 462 M HA 0.520 5.004 4.480 0.007 0.000 0.308 462 M C -1.609 174.195 176.300 -0.827 0.000 1.127 462 M CA -0.622 54.428 55.300 -0.415 0.000 0.913 462 M CB 2.168 34.584 32.600 -0.307 0.000 1.689 462 M HN 0.453 nan 8.290 nan 0.000 0.445 463 Y N -0.335 119.852 120.300 -0.188 0.000 2.512 463 Y HA 0.481 5.035 4.550 0.007 0.000 0.348 463 Y C -0.740 175.102 175.900 -0.096 0.000 0.990 463 Y CA -0.870 57.116 58.100 -0.190 0.000 1.033 463 Y CB 1.442 39.844 38.460 -0.097 0.000 1.259 463 Y HN 0.446 nan 8.280 nan 0.000 0.461 464 Y N 1.588 122.024 120.300 0.227 0.000 2.702 464 Y HA -0.001 4.553 4.550 0.007 0.000 0.336 464 Y C 1.352 177.347 175.900 0.157 0.000 1.235 464 Y CA 0.425 58.664 58.100 0.232 0.000 1.492 464 Y CB 0.641 39.187 38.460 0.144 0.000 1.308 464 Y HN 0.581 nan 8.280 nan 0.000 0.589 465 K N 1.043 121.602 120.400 0.266 0.000 2.380 465 K HA -0.018 4.306 4.320 0.007 0.000 0.198 465 K C 0.057 176.711 176.600 0.091 0.000 1.070 465 K CA 0.394 56.756 56.287 0.126 0.000 1.040 465 K CB 0.394 32.934 32.500 0.067 0.000 0.903 465 K HN 0.756 nan 8.250 nan 0.000 0.549 466 D N 0.491 120.967 120.400 0.126 0.000 2.722 466 D HA 0.065 4.709 4.640 0.007 0.000 0.239 466 D C -0.427 175.894 176.300 0.035 0.000 1.249 466 D CA -0.178 53.860 54.000 0.064 0.000 0.830 466 D CB 0.098 40.936 40.800 0.064 0.000 1.025 466 D HN -0.097 nan 8.370 nan 0.000 0.486 467 R N -0.400 120.122 120.500 0.038 0.000 2.736 467 R HA 0.086 4.430 4.340 0.007 0.000 0.250 467 R C -0.602 175.700 176.300 0.004 0.000 1.098 467 R CA -0.516 55.589 56.100 0.009 0.000 0.978 467 R CB 1.358 31.674 30.300 0.026 0.000 1.263 467 R HN -0.221 nan 8.270 nan 0.000 0.460 468 D N 0.974 121.360 120.400 -0.023 0.000 2.162 468 D HA 0.115 4.759 4.640 0.007 0.000 0.205 468 D C 0.333 176.604 176.300 -0.048 0.000 0.964 468 D CA 1.903 55.882 54.000 -0.035 0.000 0.847 468 D CB 0.234 41.012 40.800 -0.037 0.000 0.988 468 D HN 0.834 nan 8.370 nan 0.000 0.480 469 G N 0.350 109.118 108.800 -0.053 0.000 3.307 469 G HA2 -0.188 3.776 3.960 0.007 0.000 0.686 469 G HA3 -0.188 3.776 3.960 0.007 0.000 0.686 469 G C 0.944 175.790 174.900 -0.089 0.000 0.983 469 G CA -0.134 44.924 45.100 -0.071 0.000 0.804 469 G HN 0.078 nan 8.290 nan 0.000 0.531 470 V N 2.991 122.841 119.914 -0.107 0.000 2.261 470 V HA -0.241 3.883 4.120 0.007 0.000 0.246 470 V C 3.017 179.032 176.094 -0.131 0.000 1.047 470 V CA 2.409 64.636 62.300 -0.122 0.000 1.015 470 V CB -1.130 30.591 31.823 -0.171 0.000 0.642 470 V HN 0.851 nan 8.190 nan 0.000 0.446 471 V N 0.427 120.242 119.914 -0.165 0.000 2.261 471 V HA -0.149 3.975 4.120 0.007 0.000 0.246 471 V C 0.262 176.285 176.094 -0.118 0.000 1.047 471 V CA 2.522 64.728 62.300 -0.157 0.000 1.015 471 V CB -2.117 29.607 31.823 -0.165 0.000 0.642 471 V HN 0.493 nan 8.190 nan 0.000 0.446 472 P HA -0.146 nan 4.420 nan 0.000 0.215 472 P C 1.883 179.134 177.300 -0.080 0.000 1.157 472 P CA 1.944 64.965 63.100 -0.131 0.000 0.874 472 P CB -0.258 31.352 31.700 -0.150 0.000 0.790 473 T N -0.361 114.158 114.554 -0.059 0.000 2.720 473 T HA -0.151 4.203 4.350 0.007 0.000 0.268 473 T C 1.620 176.339 174.700 0.032 0.000 1.037 473 T CA 1.248 63.335 62.100 -0.021 0.000 1.144 473 T CB -0.628 68.226 68.868 -0.024 0.000 0.864 473 T HN 0.161 nan 8.240 nan 0.000 0.444 474 E N 1.177 121.412 120.200 0.058 0.000 2.047 474 E HA -0.059 4.295 4.350 0.007 0.000 0.191 474 E C 2.399 179.154 176.600 0.258 0.000 0.987 474 E CA 0.814 57.321 56.400 0.177 0.000 0.799 474 E CB -0.378 29.479 29.700 0.262 0.000 0.752 474 E HN 0.605 nan 8.360 nan 0.000 0.449 475 I N -0.245 120.434 120.570 0.181 0.000 2.226 475 I HA -0.178 3.996 4.170 0.007 0.000 0.245 475 I C 2.049 178.282 176.117 0.193 0.000 1.100 475 I CA 1.315 62.754 61.300 0.232 0.000 1.374 475 I CB -1.637 36.428 38.000 0.107 0.000 1.057 475 I HN -0.087 nan 8.210 nan 0.000 0.413 476 T N 1.409 115.994 114.554 0.052 0.000 2.665 476 T HA -0.235 4.119 4.350 0.007 0.000 0.268 476 T C 1.939 176.726 174.700 0.144 0.000 1.035 476 T CA 2.223 64.339 62.100 0.027 0.000 1.151 476 T CB -0.289 68.562 68.868 -0.029 0.000 0.862 476 T HN 0.336 nan 8.240 nan 0.000 0.438 477 K N 0.248 120.739 120.400 0.152 0.000 2.009 477 K HA -0.095 4.229 4.320 0.007 0.000 0.210 477 K C 2.248 178.976 176.600 0.214 0.000 1.049 477 K CA 1.184 57.571 56.287 0.166 0.000 0.929 477 K CB -0.456 32.142 32.500 0.163 0.000 0.714 477 K HN 0.120 nan 8.250 nan 0.000 0.440 478 V N 0.395 120.473 119.914 0.273 0.000 2.270 478 V HA -0.229 3.895 4.120 0.007 0.000 0.245 478 V C 1.928 178.160 176.094 0.230 0.000 1.043 478 V CA 1.716 64.169 62.300 0.254 0.000 1.014 478 V CB -0.545 31.463 31.823 0.308 0.000 0.645 478 V HN 0.230 nan 8.190 nan 0.000 0.447 479 F N 1.351 121.355 119.950 0.090 0.000 2.045 479 F HA -0.304 4.226 4.527 0.005 0.000 0.297 479 F C 2.270 178.092 175.800 0.036 0.000 1.114 479 F CA 2.598 60.631 58.000 0.055 0.000 1.207 479 F CB -0.708 38.320 39.000 0.047 0.000 0.964 479 F HN 0.235 nan 8.300 nan 0.000 0.486 480 N N -0.820 118.040 118.700 0.268 0.000 2.104 480 N HA -0.231 4.513 4.740 0.007 0.000 0.190 480 N C 1.739 177.287 175.510 0.064 0.000 1.024 480 N CA 1.229 54.362 53.050 0.139 0.000 0.853 480 N CB -0.255 38.299 38.487 0.111 0.000 1.008 480 N HN 0.422 nan 8.380 nan 0.000 0.424 481 Q N 0.379 120.235 119.800 0.093 0.000 2.124 481 Q HA -0.174 4.170 4.340 0.007 0.000 0.202 481 Q C 2.156 178.199 176.000 0.071 0.000 0.977 481 Q CA 1.337 57.194 55.803 0.089 0.000 0.850 481 Q CB -0.002 28.834 28.738 0.163 0.000 0.901 481 Q HN 0.463 nan 8.270 nan 0.000 0.429 482 R N 0.373 120.884 120.500 0.018 0.000 2.115 482 R HA -0.067 4.277 4.340 0.007 0.000 0.226 482 R C 1.996 178.256 176.300 -0.066 0.000 1.100 482 R CA 1.368 57.448 56.100 -0.033 0.000 0.980 482 R CB -0.187 30.045 30.300 -0.113 0.000 0.875 482 R HN -0.012 nan 8.270 nan 0.000 0.445 483 K N 1.079 121.435 120.400 -0.074 0.000 2.026 483 K HA -0.192 4.132 4.320 0.007 0.000 0.208 483 K C 1.942 178.451 176.600 -0.151 0.000 1.048 483 K CA 1.844 58.082 56.287 -0.081 0.000 0.929 483 K CB -0.065 32.416 32.500 -0.032 0.000 0.713 483 K HN 0.322 nan 8.250 nan 0.000 0.439 484 E N -0.166 119.895 120.200 -0.231 0.000 2.033 484 E HA -0.239 4.115 4.350 0.007 0.000 0.199 484 E C 1.998 178.093 176.600 -0.841 0.000 1.011 484 E CA 1.509 57.594 56.400 -0.525 0.000 0.815 484 E CB -0.065 29.290 29.700 -0.575 0.000 0.755 484 E HN 0.477 nan 8.360 nan 0.000 0.451 485 H N -0.313 118.446 119.070 -0.518 0.000 2.495 485 H HA -0.007 4.553 4.556 0.006 0.000 0.287 485 H C 2.090 177.332 175.328 -0.143 0.000 1.033 485 H CA 0.664 56.489 56.048 -0.371 0.000 1.307 485 H CB 0.234 29.886 29.762 -0.183 0.000 1.401 485 H HN 0.054 nan 8.280 nan 0.000 0.555 486 K N 0.667 121.039 120.400 -0.046 0.000 2.025 486 K HA -0.060 4.264 4.320 0.007 0.000 0.207 486 K C 2.324 178.927 176.600 0.006 0.000 1.049 486 K CA 0.994 57.270 56.287 -0.019 0.000 0.933 486 K CB -0.332 32.141 32.500 -0.045 0.000 0.714 486 K HN 0.301 nan 8.250 nan 0.000 0.438 487 G N -0.150 108.636 108.800 -0.024 0.000 2.470 487 G HA2 -0.215 3.749 3.960 0.007 0.000 0.220 487 G HA3 -0.215 3.749 3.960 0.007 0.000 0.220 487 G C 1.161 176.183 174.900 0.203 0.000 1.121 487 G CA 0.525 45.649 45.100 0.040 0.000 0.766 487 G HN 0.227 nan 8.290 nan 0.000 0.553 488 Y N -0.536 119.763 120.300 -0.002 0.000 2.365 488 Y HA 0.252 4.805 4.550 0.004 0.000 0.293 488 Y C 2.552 178.468 175.900 0.027 0.000 1.119 488 Y CA 0.035 58.154 58.100 0.032 0.000 1.203 488 Y CB -0.565 37.929 38.460 0.057 0.000 1.026 488 Y HN 0.178 nan 8.280 nan 0.000 0.549 489 M N -0.696 119.010 119.600 0.177 0.000 2.102 489 M HA -0.078 4.406 4.480 0.007 0.000 0.259 489 M C 1.644 177.970 176.300 0.044 0.000 1.083 489 M CA 1.427 56.780 55.300 0.088 0.000 1.141 489 M CB -0.406 32.227 32.600 0.055 0.000 1.318 489 M HN 0.136 nan 8.290 nan 0.000 0.421 490 L N 0.498 121.740 121.223 0.032 0.000 2.642 490 L HA -0.136 4.208 4.340 0.007 0.000 0.236 490 L C 2.055 178.928 176.870 0.005 0.000 1.169 490 L CA 0.550 55.396 54.840 0.010 0.000 0.851 490 L CB -0.816 41.244 42.059 0.001 0.000 0.968 490 L HN 0.440 nan 8.230 nan 0.000 0.453 491 A N -0.455 122.376 122.820 0.019 0.000 1.983 491 A HA 0.251 4.575 4.320 0.007 0.000 0.207 491 A C 2.321 179.875 177.584 -0.050 0.000 1.412 491 A CA 0.656 52.687 52.037 -0.011 0.000 0.750 491 A CB -0.424 18.582 19.000 0.010 0.000 1.047 491 A HN 0.244 nan 8.150 nan 0.000 0.504 492 A N -0.620 122.184 122.820 -0.028 0.000 2.172 492 A HA -0.067 4.257 4.320 0.007 0.000 0.216 492 A C 1.985 179.535 177.584 -0.057 0.000 1.154 492 A CA 1.399 53.402 52.037 -0.056 0.000 0.701 492 A CB -0.426 18.570 19.000 -0.007 0.000 0.789 492 A HN 0.637 nan 8.150 nan 0.000 0.465 493 Q N -0.371 119.408 119.800 -0.035 0.000 1.946 493 Q HA -0.108 4.236 4.340 0.007 0.000 0.199 493 Q C 2.186 178.164 176.000 -0.037 0.000 0.979 493 Q CA 1.065 56.849 55.803 -0.032 0.000 0.834 493 Q CB -0.218 28.509 28.738 -0.019 0.000 0.899 493 Q HN 0.614 nan 8.270 nan 0.000 0.431 494 R N 0.674 121.155 120.500 -0.033 0.000 2.357 494 R HA -0.038 4.306 4.340 0.007 0.000 0.202 494 R C 0.169 176.449 176.300 -0.033 0.000 1.047 494 R CA 0.664 56.750 56.100 -0.023 0.000 1.034 494 R CB -0.157 30.134 30.300 -0.014 0.000 0.875 494 R HN 0.356 nan 8.270 nan 0.000 0.473 495 N N -1.179 117.464 118.700 -0.095 0.000 2.214 495 N HA 0.059 4.803 4.740 0.007 0.000 0.214 495 N C 0.774 176.247 175.510 -0.063 0.000 1.132 495 N CA -0.110 52.830 53.050 -0.183 0.000 0.856 495 N CB 1.005 39.118 38.487 -0.624 0.000 1.020 495 N HN 0.218 nan 8.380 nan 0.000 0.509 496 G N 0.176 108.966 108.800 -0.018 0.000 2.743 496 G HA2 -0.043 3.921 3.960 0.007 0.000 0.206 496 G HA3 -0.043 3.921 3.960 0.007 0.000 0.206 496 G C 1.018 175.933 174.900 0.024 0.000 1.115 496 G CA -0.011 45.097 45.100 0.013 0.000 0.782 496 G HN 0.163 nan 8.290 nan 0.000 0.524 497 E N -0.430 119.781 120.200 0.019 0.000 2.505 497 E HA 0.180 4.534 4.350 0.007 0.000 0.197 497 E C 1.112 177.738 176.600 0.044 0.000 1.111 497 E CA 0.035 56.448 56.400 0.021 0.000 0.887 497 E CB 0.180 29.890 29.700 0.017 0.000 0.913 497 E HN 0.394 nan 8.360 nan 0.000 0.517 498 I N -0.845 119.776 120.570 0.085 0.000 4.439 498 I HA 0.100 4.274 4.170 0.007 0.000 0.331 498 I C 0.889 177.071 176.117 0.108 0.000 1.345 498 I CA 0.214 61.582 61.300 0.114 0.000 1.193 498 I CB 0.686 38.805 38.000 0.199 0.000 1.221 498 I HN 0.066 nan 8.210 nan 0.000 0.429 499 I N -0.718 119.916 120.570 0.107 0.000 2.628 499 I HA -0.010 4.164 4.170 0.007 0.000 0.255 499 I C 2.144 178.249 176.117 -0.020 0.000 1.119 499 I CA 0.456 61.794 61.300 0.064 0.000 1.448 499 I CB -0.294 37.768 38.000 0.104 0.000 1.133 499 I HN -0.071 nan 8.210 nan 0.000 0.438 500 K N 0.997 121.378 120.400 -0.031 0.000 2.209 500 K HA -0.138 4.186 4.320 0.007 0.000 0.204 500 K C 2.014 178.494 176.600 -0.200 0.000 1.048 500 K CA 1.129 57.366 56.287 -0.084 0.000 0.940 500 K CB 0.132 32.604 32.500 -0.047 0.000 0.729 500 K HN 0.232 nan 8.250 nan 0.000 0.451 501 E N -0.524 119.575 120.200 -0.168 0.000 2.230 501 E HA -0.054 4.300 4.350 0.007 0.000 0.192 501 E C 1.538 177.940 176.600 -0.330 0.000 0.987 501 E CA 0.585 56.828 56.400 -0.260 0.000 0.841 501 E CB 0.253 29.928 29.700 -0.042 0.000 0.783 501 E HN 0.281 nan 8.360 nan 0.000 0.481 502 A N 0.569 123.287 122.820 -0.169 0.000 2.235 502 A HA 0.013 4.337 4.320 0.007 0.000 0.208 502 A C 1.926 179.439 177.584 -0.118 0.000 1.172 502 A CA 0.220 52.197 52.037 -0.100 0.000 0.786 502 A CB -0.276 18.703 19.000 -0.034 0.000 0.804 502 A HN 0.130 nan 8.150 nan 0.000 0.479 503 L N -0.638 120.453 121.223 -0.219 0.000 2.599 503 L HA 0.013 4.357 4.340 0.007 0.000 0.230 503 L C 1.800 178.629 176.870 -0.068 0.000 1.141 503 L CA 0.223 54.981 54.840 -0.135 0.000 0.877 503 L CB -0.199 41.790 42.059 -0.117 0.000 1.009 503 L HN 0.425 nan 8.230 nan 0.000 0.447 504 H N -1.773 117.305 119.070 0.014 0.000 2.448 504 H HA 0.088 4.648 4.556 0.007 0.000 0.292 504 H C 0.936 176.270 175.328 0.010 0.000 1.035 504 H CA 0.118 56.172 56.048 0.011 0.000 1.349 504 H CB -0.061 29.707 29.762 0.010 0.000 1.425 504 H HN 0.154 nan 8.280 nan 0.000 0.539 505 N N 2.786 121.549 118.700 0.104 0.000 2.420 505 N HA 0.049 4.793 4.740 0.007 0.000 0.262 505 N C -2.283 173.250 175.510 0.039 0.000 1.144 505 N CA -1.149 51.937 53.050 0.059 0.000 0.952 505 N CB 1.257 39.766 38.487 0.036 0.000 1.081 505 N HN 0.057 nan 8.380 nan 0.000 0.480 506 P HA 0.141 nan 4.420 nan 0.000 0.285 506 P C -1.039 176.272 177.300 0.019 0.000 1.282 506 P CA -0.117 62.999 63.100 0.027 0.000 0.778 506 P CB 0.534 32.249 31.700 0.025 0.000 1.222 507 N N -0.286 118.424 118.700 0.016 0.000 2.519 507 N HA 0.222 4.966 4.740 0.007 0.000 0.291 507 N C -0.818 174.698 175.510 0.011 0.000 1.107 507 N CA -0.296 52.762 53.050 0.013 0.000 0.904 507 N CB 1.420 39.915 38.487 0.013 0.000 1.500 507 N HN 0.155 nan 8.380 nan 0.000 0.510 508 L N 0.773 122.002 121.223 0.009 0.000 2.959 508 L HA 0.183 4.527 4.340 0.007 0.000 0.259 508 L C 0.113 176.986 176.870 0.006 0.000 1.185 508 L CA 0.194 55.038 54.840 0.007 0.000 0.998 508 L CB 0.317 42.380 42.059 0.007 0.000 1.337 508 L HN 0.650 nan 8.230 nan 0.000 0.555 509 S N -0.948 114.756 115.700 0.006 0.000 2.536 509 S HA 0.536 5.010 4.470 0.007 0.000 0.271 509 S C -0.426 174.177 174.600 0.005 0.000 1.134 509 S CA -0.858 57.345 58.200 0.004 0.000 0.897 509 S CB 1.517 64.718 63.200 0.002 0.000 1.094 509 S HN -0.060 nan 8.310 nan 0.000 0.473 510 V N 1.385 121.302 119.914 0.005 0.000 2.585 510 V HA 0.501 4.625 4.120 0.007 0.000 0.296 510 V C 0.153 176.249 176.094 0.004 0.000 1.035 510 V CA 0.124 62.427 62.300 0.006 0.000 1.084 510 V CB 0.192 32.019 31.823 0.005 0.000 0.953 510 V HN 0.964 nan 8.190 nan 0.000 0.483 511 D N 2.091 122.494 120.400 0.006 0.000 2.758 511 D HA 0.536 5.180 4.640 0.007 0.000 0.279 511 D C -0.889 175.415 176.300 0.007 0.000 1.111 511 D CA -0.519 53.483 54.000 0.004 0.000 1.109 511 D CB 2.407 43.209 40.800 0.004 0.000 1.428 511 D HN 0.750 nan 8.370 nan 0.000 0.586 512 E N 0.045 120.249 120.200 0.007 0.000 2.331 512 E HA 0.387 4.741 4.350 0.007 0.000 0.275 512 E C -2.496 174.114 176.600 0.017 0.000 0.895 512 E CA -1.728 54.679 56.400 0.012 0.000 0.753 512 E CB 2.444 32.148 29.700 0.006 0.000 1.216 512 E HN 0.098 nan 8.360 nan 0.000 0.434 513 P HA 0.107 nan 4.420 nan 0.000 0.276 513 P C -0.237 177.091 177.300 0.047 0.000 1.230 513 P CA -0.548 62.587 63.100 0.057 0.000 0.776 513 P CB 0.502 32.258 31.700 0.094 0.000 0.888 514 L N 3.353 124.593 121.223 0.029 0.000 2.455 514 L HA 0.039 4.383 4.340 0.007 0.000 0.272 514 L C 0.910 177.766 176.870 -0.024 0.000 1.174 514 L CA 0.842 55.667 54.840 -0.024 0.000 0.869 514 L CB -0.257 41.743 42.059 -0.097 0.000 1.130 514 L HN 0.450 nan 8.230 nan 0.000 0.474 515 D N 4.048 124.421 120.400 -0.044 0.000 2.508 515 D HA 0.198 4.842 4.640 0.007 0.000 0.224 515 D C -0.927 175.306 176.300 -0.112 0.000 1.171 515 D CA 0.152 54.119 54.000 -0.055 0.000 1.006 515 D CB 0.277 41.055 40.800 -0.037 0.000 1.073 515 D HN 0.159 nan 8.370 nan 0.000 0.513 516 V N 3.212 123.001 119.914 -0.208 0.000 2.777 516 V HA 0.104 4.228 4.120 0.007 0.000 0.306 516 V C -1.115 174.682 176.094 -0.495 0.000 1.112 516 V CA -1.027 61.123 62.300 -0.250 0.000 0.917 516 V CB 2.485 34.227 31.823 -0.136 0.000 1.018 516 V HN 0.271 nan 8.190 nan 0.000 0.426 517 D N 4.411 124.615 120.400 -0.326 0.000 2.325 517 D HA 0.204 4.848 4.640 0.007 0.000 0.251 517 D C 0.233 176.391 176.300 -0.238 0.000 1.196 517 D CA 0.037 53.872 54.000 -0.274 0.000 0.866 517 D CB 0.846 41.513 40.800 -0.223 0.000 1.101 517 D HN 0.513 nan 8.370 nan 0.000 0.476 518 Y N 1.013 121.263 120.300 -0.082 0.000 2.616 518 Y HA -0.026 4.528 4.550 0.006 0.000 0.296 518 Y C 2.049 177.861 175.900 -0.147 0.000 1.154 518 Y CA 0.305 58.332 58.100 -0.122 0.000 1.325 518 Y CB -0.159 38.235 38.460 -0.109 0.000 1.007 518 Y HN 0.221 nan 8.280 nan 0.000 0.542 519 R N -0.561 119.920 120.500 -0.033 0.000 2.189 519 R HA -0.011 4.333 4.340 0.007 0.000 0.218 519 R C -0.126 176.234 176.300 0.099 0.000 1.074 519 R CA 0.553 56.589 56.100 -0.107 0.000 0.991 519 R CB -0.207 29.762 30.300 -0.552 0.000 0.883 519 R HN 0.207 nan 8.270 nan 0.000 0.457 520 F N 1.821 121.649 119.950 -0.204 0.000 2.408 520 F HA 0.116 4.648 4.527 0.009 0.000 0.344 520 F C 0.205 175.942 175.800 -0.104 0.000 1.112 520 F CA -1.409 56.515 58.000 -0.126 0.000 1.096 520 F CB 1.078 40.020 39.000 -0.097 0.000 1.129 520 F HN -0.147 nan 8.300 nan 0.000 0.486 521 D N 3.348 123.752 120.400 0.008 0.000 2.583 521 D HA -0.086 4.558 4.640 0.007 0.000 0.232 521 D C -0.182 176.187 176.300 0.116 0.000 1.128 521 D CA 0.605 54.600 54.000 -0.007 0.000 0.859 521 D CB 0.209 40.995 40.800 -0.023 0.000 1.169 521 D HN 0.062 nan 8.370 nan 0.000 0.481 522 F N 1.742 121.708 119.950 0.028 0.000 2.623 522 F HA -0.050 4.481 4.527 0.005 0.000 0.383 522 F C 1.290 177.095 175.800 0.008 0.000 1.077 522 F CA -0.211 57.797 58.000 0.014 0.000 1.268 522 F CB -0.223 38.785 39.000 0.015 0.000 1.053 522 F HN 0.073 nan 8.300 nan 0.000 0.571 523 S N 2.545 118.373 115.700 0.214 0.000 2.603 523 S HA 0.069 4.543 4.470 0.007 0.000 0.268 523 S C 0.861 175.479 174.600 0.030 0.000 1.317 523 S CA -0.412 57.841 58.200 0.089 0.000 1.012 523 S CB 0.745 63.980 63.200 0.058 0.000 0.926 523 S HN 0.593 nan 8.310 nan 0.000 0.539 524 D N 0.151 120.563 120.400 0.020 0.000 2.371 524 D HA -0.075 4.569 4.640 0.007 0.000 0.221 524 D C 1.170 177.456 176.300 -0.023 0.000 0.986 524 D CA 0.421 54.421 54.000 0.001 0.000 0.899 524 D CB 0.110 40.915 40.800 0.007 0.000 0.902 524 D HN 0.377 nan 8.370 nan 0.000 0.530 525 E N 0.091 120.273 120.200 -0.031 0.000 2.170 525 E HA 0.029 4.383 4.350 0.007 0.000 0.191 525 E C 0.910 177.461 176.600 -0.082 0.000 0.981 525 E CA 0.447 56.819 56.400 -0.046 0.000 0.830 525 E CB 0.207 29.885 29.700 -0.038 0.000 0.775 525 E HN 0.432 nan 8.360 nan 0.000 0.470 526 I N 0.885 121.378 120.570 -0.129 0.000 3.712 526 I HA 0.071 4.245 4.170 0.007 0.000 0.342 526 I C 1.491 177.470 176.117 -0.229 0.000 1.487 526 I CA 0.051 61.218 61.300 -0.221 0.000 1.179 526 I CB 0.476 38.255 38.000 -0.368 0.000 1.403 526 I HN -0.185 nan 8.210 nan 0.000 0.444 527 K N 1.065 121.390 120.400 -0.123 0.000 2.099 527 K HA 0.030 4.354 4.320 0.007 0.000 0.203 527 K C 1.740 178.299 176.600 -0.068 0.000 1.047 527 K CA 1.190 57.429 56.287 -0.080 0.000 0.963 527 K CB 0.361 32.839 32.500 -0.037 0.000 0.759 527 K HN 0.067 nan 8.250 nan 0.000 0.451 528 E N -0.101 120.062 120.200 -0.062 0.000 2.415 528 E HA 0.083 4.437 4.350 0.007 0.000 0.197 528 E C 0.993 177.560 176.600 -0.055 0.000 1.007 528 E CA 0.496 56.868 56.400 -0.046 0.000 0.890 528 E CB 0.398 30.079 29.700 -0.032 0.000 0.891 528 E HN 0.088 nan 8.360 nan 0.000 0.496 529 K N -0.081 120.270 120.400 -0.081 0.000 2.515 529 K HA 0.048 4.372 4.320 0.007 0.000 0.196 529 K C 1.425 177.974 176.600 -0.085 0.000 1.038 529 K CA 0.475 56.712 56.287 -0.084 0.000 0.967 529 K CB 0.107 32.542 32.500 -0.110 0.000 0.780 529 K HN 0.136 nan 8.250 nan 0.000 0.483 530 I N -0.262 120.253 120.570 -0.092 0.000 3.265 530 I HA -0.102 4.072 4.170 0.007 0.000 0.282 530 I C 1.384 177.479 176.117 -0.037 0.000 1.207 530 I CA 0.698 61.951 61.300 -0.079 0.000 1.449 530 I CB 0.397 38.329 38.000 -0.113 0.000 1.121 530 I HN -0.046 nan 8.210 nan 0.000 0.442 531 K N -0.091 120.292 120.400 -0.029 0.000 2.348 531 K HA 0.089 4.413 4.320 0.007 0.000 0.194 531 K C 1.646 178.242 176.600 -0.007 0.000 1.052 531 K CA 0.213 56.493 56.287 -0.011 0.000 1.004 531 K CB 0.415 32.914 32.500 -0.002 0.000 0.873 531 K HN -0.014 nan 8.250 nan 0.000 0.523 532 K N 0.664 121.055 120.400 -0.014 0.000 2.432 532 K HA 0.102 4.426 4.320 0.007 0.000 0.196 532 K C 0.416 177.011 176.600 -0.009 0.000 1.038 532 K CA 0.161 56.442 56.287 -0.011 0.000 0.986 532 K CB 0.247 32.738 32.500 -0.016 0.000 0.782 532 K HN 0.035 nan 8.250 nan 0.000 0.485 533 L N 1.425 122.641 121.223 -0.012 0.000 2.464 533 L HA 0.032 4.376 4.340 0.007 0.000 0.264 533 L C 0.666 177.539 176.870 0.004 0.000 1.199 533 L CA -0.059 54.778 54.840 -0.006 0.000 0.818 533 L CB 0.936 42.991 42.059 -0.007 0.000 1.102 533 L HN 0.211 nan 8.230 nan 0.000 0.473 534 S N 1.330 117.035 115.700 0.009 0.000 2.652 534 S HA 0.343 4.817 4.470 0.007 0.000 0.270 534 S C 0.871 175.483 174.600 0.020 0.000 1.243 534 S CA -0.176 58.032 58.200 0.013 0.000 0.999 534 S CB 1.643 64.851 63.200 0.013 0.000 0.973 534 S HN 0.702 nan 8.310 nan 0.000 0.544 535 A N 1.718 124.550 122.820 0.021 0.000 1.972 535 A HA -0.087 4.237 4.320 0.007 0.000 0.219 535 A C 2.193 179.798 177.584 0.035 0.000 1.169 535 A CA 1.340 53.393 52.037 0.026 0.000 0.635 535 A CB -0.737 18.277 19.000 0.024 0.000 0.810 535 A HN 0.896 nan 8.150 nan 0.000 0.446 536 K N 0.018 120.438 120.400 0.032 0.000 2.148 536 K HA -0.015 4.309 4.320 0.007 0.000 0.204 536 K C 1.686 178.312 176.600 0.043 0.000 1.050 536 K CA 1.587 57.896 56.287 0.037 0.000 0.942 536 K CB -0.518 31.998 32.500 0.027 0.000 0.724 536 K HN 0.379 nan 8.250 nan 0.000 0.446 537 S N 1.026 116.749 115.700 0.038 0.000 2.478 537 S HA 0.039 4.513 4.470 0.007 0.000 0.222 537 S C 1.764 176.399 174.600 0.059 0.000 1.008 537 S CA 0.123 58.349 58.200 0.044 0.000 0.928 537 S CB -0.034 63.184 63.200 0.030 0.000 0.781 537 S HN 0.021 nan 8.310 nan 0.000 0.518 538 L N 2.544 123.798 121.223 0.052 0.000 2.131 538 L HA 0.198 4.542 4.340 0.007 0.000 0.206 538 L C 1.974 178.887 176.870 0.072 0.000 1.087 538 L CA 1.217 56.091 54.840 0.056 0.000 0.767 538 L CB -1.029 41.049 42.059 0.032 0.000 0.917 538 L HN 0.227 nan 8.230 nan 0.000 0.441 539 N N -0.492 118.254 118.700 0.078 0.000 2.459 539 N HA -0.170 4.574 4.740 0.007 0.000 0.181 539 N C 1.662 177.287 175.510 0.192 0.000 1.046 539 N CA 0.628 53.745 53.050 0.112 0.000 0.904 539 N CB 0.518 39.070 38.487 0.109 0.000 0.964 539 N HN 0.424 nan 8.380 nan 0.000 0.444 540 E N -0.102 120.185 120.200 0.146 0.000 2.162 540 E HA 0.139 4.493 4.350 0.007 0.000 0.193 540 E C 2.017 178.698 176.600 0.135 0.000 0.953 540 E CA 0.125 56.611 56.400 0.142 0.000 0.849 540 E CB -0.002 29.739 29.700 0.068 0.000 0.810 540 E HN 0.092 nan 8.360 nan 0.000 0.470 541 M N 0.121 119.804 119.600 0.138 0.000 2.106 541 M HA -0.188 4.296 4.480 0.007 0.000 0.259 541 M C 1.837 178.177 176.300 0.067 0.000 1.068 541 M CA 1.316 56.720 55.300 0.173 0.000 1.100 541 M CB -0.079 32.662 32.600 0.236 0.000 1.351 541 M HN 0.314 nan 8.290 nan 0.000 0.404 542 L N -0.362 120.904 121.223 0.071 0.000 2.027 542 L HA -0.140 4.204 4.340 0.007 0.000 0.206 542 L C 1.978 178.820 176.870 -0.047 0.000 1.074 542 L CA 1.816 56.657 54.840 0.001 0.000 0.745 542 L CB -0.853 41.197 42.059 -0.015 0.000 0.898 542 L HN 0.213 nan 8.230 nan 0.000 0.433 543 F N -0.061 119.839 119.950 -0.082 0.000 2.115 543 F HA -0.343 4.188 4.527 0.006 0.000 0.300 543 F C 2.563 178.258 175.800 -0.175 0.000 1.092 543 F CA 1.824 59.765 58.000 -0.098 0.000 1.245 543 F CB -0.072 38.888 39.000 -0.068 0.000 0.995 543 F HN 0.052 nan 8.300 nan 0.000 0.481 544 R N -0.804 119.655 120.500 -0.068 0.000 2.161 544 R HA 0.031 4.375 4.340 0.007 0.000 0.213 544 R C 2.311 178.214 176.300 -0.661 0.000 1.055 544 R CA 0.804 56.654 56.100 -0.416 0.000 0.996 544 R CB -0.480 29.426 30.300 -0.657 0.000 0.901 544 R HN 0.252 nan 8.270 nan 0.000 0.456 545 A N 0.993 123.523 122.820 -0.483 0.000 1.930 545 A HA -0.184 4.140 4.320 0.007 0.000 0.217 545 A C 1.962 179.440 177.584 -0.176 0.000 1.175 545 A CA 1.100 52.965 52.037 -0.287 0.000 0.627 545 A CB -0.247 18.687 19.000 -0.110 0.000 0.815 545 A HN 0.277 nan 8.150 nan 0.000 0.443 546 Q N -1.150 118.558 119.800 -0.152 0.000 2.119 546 Q HA -0.070 4.274 4.340 0.007 0.000 0.201 546 Q C 2.341 178.285 176.000 -0.093 0.000 0.972 546 Q CA 0.894 56.624 55.803 -0.122 0.000 0.847 546 Q CB -0.121 28.518 28.738 -0.166 0.000 0.903 546 Q HN 0.444 nan 8.270 nan 0.000 0.433 547 R N -0.112 120.334 120.500 -0.090 0.000 2.148 547 R HA -0.052 4.292 4.340 0.007 0.000 0.227 547 R C 1.497 177.755 176.300 -0.070 0.000 1.103 547 R CA 1.272 57.336 56.100 -0.061 0.000 0.983 547 R CB 0.053 30.325 30.300 -0.046 0.000 0.874 547 R HN 0.254 nan 8.270 nan 0.000 0.451 548 T N -0.069 114.429 114.554 -0.093 0.000 3.031 548 T HA 0.014 4.368 4.350 0.007 0.000 0.254 548 T C 1.505 176.201 174.700 -0.007 0.000 1.060 548 T CA 0.186 62.264 62.100 -0.038 0.000 1.135 548 T CB 0.274 69.129 68.868 -0.022 0.000 0.896 548 T HN 0.255 nan 8.240 nan 0.000 0.472 549 E N 1.054 121.234 120.200 -0.033 0.000 2.012 549 E HA -0.121 4.233 4.350 0.007 0.000 0.197 549 E C 2.279 178.872 176.600 -0.013 0.000 1.007 549 E CA 1.076 57.465 56.400 -0.019 0.000 0.816 549 E CB -0.312 29.364 29.700 -0.040 0.000 0.762 549 E HN 0.126 nan 8.360 nan 0.000 0.451 550 V N 0.917 120.813 119.914 -0.030 0.000 2.453 550 V HA -0.302 3.822 4.120 0.007 0.000 0.252 550 V C 2.182 178.266 176.094 -0.017 0.000 1.068 550 V CA 2.072 64.355 62.300 -0.028 0.000 1.070 550 V CB -0.463 31.337 31.823 -0.039 0.000 0.664 550 V HN 0.422 nan 8.190 nan 0.000 0.461 551 A N -0.891 121.923 122.820 -0.010 0.000 1.984 551 A HA 0.165 4.489 4.320 0.007 0.000 0.214 551 A C 2.288 179.882 177.584 0.016 0.000 1.173 551 A CA 1.204 53.239 52.037 -0.004 0.000 0.673 551 A CB -0.681 18.308 19.000 -0.019 0.000 0.830 551 A HN 0.530 nan 8.150 nan 0.000 0.453 552 G N -0.652 108.183 108.800 0.058 0.000 2.430 552 G HA2 -0.124 3.840 3.960 0.007 0.000 0.216 552 G HA3 -0.124 3.840 3.960 0.007 0.000 0.216 552 G C 1.571 176.491 174.900 0.034 0.000 1.146 552 G CA 0.971 46.137 45.100 0.110 0.000 0.793 552 G HN 0.446 nan 8.290 nan 0.000 0.537 553 M N 0.772 120.377 119.600 0.009 0.000 2.065 553 M HA -0.111 4.373 4.480 0.007 0.000 0.259 553 M C 2.604 178.878 176.300 -0.044 0.000 1.069 553 M CA 2.084 57.373 55.300 -0.018 0.000 1.110 553 M CB -0.412 32.177 32.600 -0.020 0.000 1.328 553 M HN 0.188 nan 8.290 nan 0.000 0.405 554 T N 0.934 115.462 114.554 -0.042 0.000 2.759 554 T HA -0.116 4.238 4.350 0.007 0.000 0.269 554 T C 1.754 176.387 174.700 -0.112 0.000 1.042 554 T CA 1.538 63.604 62.100 -0.057 0.000 1.140 554 T CB -0.544 68.312 68.868 -0.019 0.000 0.864 554 T HN 0.607 nan 8.240 nan 0.000 0.455 555 A N 1.190 123.920 122.820 -0.151 0.000 1.898 555 A HA -0.144 4.180 4.320 0.007 0.000 0.216 555 A C 2.301 179.702 177.584 -0.305 0.000 1.181 555 A CA 1.747 53.593 52.037 -0.317 0.000 0.620 555 A CB -0.681 17.978 19.000 -0.568 0.000 0.819 555 A HN 0.568 nan 8.150 nan 0.000 0.442 556 Q N -0.380 119.311 119.800 -0.182 0.000 2.079 556 Q HA -0.111 4.233 4.340 0.007 0.000 0.200 556 Q C 1.980 177.898 176.000 -0.136 0.000 0.974 556 Q CA 1.539 57.264 55.803 -0.130 0.000 0.840 556 Q CB -0.227 28.471 28.738 -0.066 0.000 0.898 556 Q HN 0.669 nan 8.270 nan 0.000 0.430 557 I N 2.130 122.628 120.570 -0.121 0.000 2.286 557 I HA -0.297 3.877 4.170 0.007 0.000 0.248 557 I C 1.958 177.996 176.117 -0.131 0.000 1.115 557 I CA 1.615 62.849 61.300 -0.111 0.000 1.392 557 I CB -0.359 37.588 38.000 -0.088 0.000 1.065 557 I HN 0.435 nan 8.210 nan 0.000 0.418 558 N N 0.337 118.933 118.700 -0.174 0.000 2.446 558 N HA -0.110 4.634 4.740 0.007 0.000 0.179 558 N C 1.748 177.134 175.510 -0.206 0.000 1.054 558 N CA 0.500 53.435 53.050 -0.192 0.000 0.905 558 N CB -0.139 38.216 38.487 -0.219 0.000 0.973 558 N HN 0.127 nan 8.380 nan 0.000 0.448 559 R N 1.155 121.516 120.500 -0.232 0.000 2.066 559 R HA -0.082 4.262 4.340 0.007 0.000 0.232 559 R C 1.922 178.176 176.300 -0.075 0.000 1.131 559 R CA 1.059 57.053 56.100 -0.177 0.000 0.955 559 R CB -0.770 29.428 30.300 -0.170 0.000 0.851 559 R HN 0.469 nan 8.270 nan 0.000 0.432 560 K N 1.458 121.800 120.400 -0.095 0.000 2.020 560 K HA -0.146 4.178 4.320 0.007 0.000 0.212 560 K C 2.232 178.837 176.600 0.009 0.000 1.050 560 K CA 1.428 57.674 56.287 -0.068 0.000 0.929 560 K CB -0.212 32.230 32.500 -0.096 0.000 0.714 560 K HN 0.119 nan 8.250 nan 0.000 0.443 561 L N 0.869 122.099 121.223 0.012 0.000 2.083 561 L HA -0.224 4.120 4.340 0.007 0.000 0.209 561 L C 2.577 179.547 176.870 0.166 0.000 1.083 561 L CA 0.486 55.385 54.840 0.098 0.000 0.752 561 L CB -0.482 41.637 42.059 0.100 0.000 0.899 561 L HN 0.169 nan 8.230 nan 0.000 0.433 562 L N -0.015 121.282 121.223 0.124 0.000 1.955 562 L HA -0.247 4.097 4.340 0.007 0.000 0.213 562 L C 2.431 179.629 176.870 0.546 0.000 1.072 562 L CA 1.886 56.884 54.840 0.263 0.000 0.755 562 L CB -0.726 41.354 42.059 0.036 0.000 0.888 562 L HN 0.098 nan 8.230 nan 0.000 0.432 563 I N -0.185 120.619 120.570 0.391 0.000 2.145 563 I HA -0.387 3.787 4.170 0.007 0.000 0.244 563 I C 1.944 178.224 176.117 0.271 0.000 1.075 563 I CA 1.459 62.974 61.300 0.358 0.000 1.332 563 I CB -0.401 37.736 38.000 0.227 0.000 1.033 563 I HN 0.393 nan 8.210 nan 0.000 0.410 564 N N 0.085 118.916 118.700 0.218 0.000 2.396 564 N HA -0.097 4.647 4.740 0.007 0.000 0.180 564 N C 1.857 177.500 175.510 0.221 0.000 1.028 564 N CA 1.449 54.611 53.050 0.187 0.000 0.893 564 N CB -0.203 38.368 38.487 0.141 0.000 0.967 564 N HN 0.428 nan 8.380 nan 0.000 0.440 565 S N -0.548 115.317 115.700 0.274 0.000 2.524 565 S HA 0.095 4.569 4.470 0.007 0.000 0.216 565 S C 1.779 176.455 174.600 0.126 0.000 0.987 565 S CA -0.244 58.103 58.200 0.246 0.000 0.909 565 S CB -0.121 63.265 63.200 0.311 0.000 0.781 565 S HN 0.107 nan 8.310 nan 0.000 0.521 566 L N 1.429 122.668 121.223 0.027 0.000 2.017 566 L HA -0.011 4.333 4.340 0.007 0.000 0.208 566 L C 2.283 179.036 176.870 -0.196 0.000 1.073 566 L CA 1.991 56.570 54.840 -0.434 0.000 0.745 566 L CB -1.211 40.452 42.059 -0.660 0.000 0.894 566 L HN 0.467 nan 8.230 nan 0.000 0.432 567 Y N 0.237 120.504 120.300 -0.055 0.000 2.128 567 Y HA -0.118 4.436 4.550 0.006 0.000 0.284 567 Y C 2.260 178.194 175.900 0.057 0.000 1.154 567 Y CA 1.774 59.902 58.100 0.047 0.000 1.149 567 Y CB -1.131 37.469 38.460 0.235 0.000 0.976 567 Y HN 0.183 nan 8.280 nan 0.000 0.505 568 G N 0.435 109.092 108.800 -0.238 0.000 2.513 568 G HA2 -0.389 3.575 3.960 0.007 0.000 0.219 568 G HA3 -0.389 3.575 3.960 0.007 0.000 0.219 568 G C 1.865 176.613 174.900 -0.254 0.000 1.160 568 G CA 1.777 46.717 45.100 -0.267 0.000 0.767 568 G HN 0.718 nan 8.290 nan 0.000 0.571 569 A N 0.532 123.164 122.820 -0.313 0.000 1.883 569 A HA 0.042 4.366 4.320 0.007 0.000 0.217 569 A C 2.462 179.856 177.584 -0.316 0.000 1.186 569 A CA 1.512 53.212 52.037 -0.561 0.000 0.624 569 A CB -0.533 17.754 19.000 -1.189 0.000 0.822 569 A HN 0.371 nan 8.150 nan 0.000 0.444 570 L N -0.805 120.327 121.223 -0.151 0.000 2.261 570 L HA -0.130 4.215 4.340 0.007 0.000 0.216 570 L C 2.328 179.316 176.870 0.197 0.000 1.114 570 L CA 0.880 55.837 54.840 0.195 0.000 0.777 570 L CB -0.334 41.784 42.059 0.100 0.000 0.910 570 L HN 0.526 nan 8.230 nan 0.000 0.440 571 G N -1.388 107.416 108.800 0.007 0.000 3.189 571 G HA2 -0.065 3.899 3.960 0.007 0.000 0.225 571 G HA3 -0.065 3.899 3.960 0.007 0.000 0.225 571 G C 0.322 175.365 174.900 0.239 0.000 1.159 571 G CA -0.268 44.925 45.100 0.155 0.000 0.763 571 G HN 0.165 nan 8.290 nan 0.000 0.549 572 N N 1.039 119.826 118.700 0.145 0.000 2.408 572 N HA 0.122 4.866 4.740 0.007 0.000 0.280 572 N C 1.622 176.921 175.510 -0.352 0.000 1.002 572 N CA -0.337 52.700 53.050 -0.020 0.000 0.907 572 N CB 2.308 40.833 38.487 0.063 0.000 1.161 572 N HN -0.051 nan 8.380 nan 0.000 0.488 573 V N 1.817 121.321 119.914 -0.683 0.000 2.867 573 V HA -0.051 4.073 4.120 0.007 0.000 0.260 573 V C 1.164 176.918 176.094 -0.566 0.000 1.099 573 V CA 0.903 62.578 62.300 -1.041 0.000 1.122 573 V CB -0.899 30.432 31.823 -0.820 0.000 0.708 573 V HN 0.644 nan 8.190 nan 0.000 0.490 574 W N -1.111 120.135 121.300 -0.091 0.000 3.256 574 W HA 0.392 5.056 4.660 0.006 0.000 0.269 574 W C 0.881 177.492 176.519 0.153 0.000 1.310 574 W CA -0.685 56.675 57.345 0.026 0.000 1.673 574 W CB -0.021 29.451 29.460 0.020 0.000 1.115 574 W HN 0.168 nan 8.180 nan 0.000 0.686 575 F N 2.674 122.709 119.950 0.142 0.000 2.427 575 F HA 0.182 4.712 4.527 0.006 0.000 0.352 575 F C 1.880 177.757 175.800 0.129 0.000 1.100 575 F CA -1.797 56.306 58.000 0.172 0.000 1.191 575 F CB 0.761 39.878 39.000 0.195 0.000 1.128 575 F HN -0.046 nan 8.300 nan 0.000 0.533 576 R N 3.624 123.956 120.500 -0.280 0.000 2.237 576 R HA -0.146 4.198 4.340 0.007 0.000 0.219 576 R C -0.055 175.811 176.300 -0.724 0.000 1.080 576 R CA 1.730 57.536 56.100 -0.490 0.000 0.995 576 R CB -0.407 29.571 30.300 -0.536 0.000 0.875 576 R HN 0.684 nan 8.270 nan 0.000 0.462 577 Y N -0.969 118.971 120.300 -0.600 0.000 2.467 577 Y HA 0.153 4.707 4.550 0.007 0.000 0.250 577 Y C 0.051 175.872 175.900 -0.131 0.000 1.155 577 Y CA -1.147 56.733 58.100 -0.367 0.000 1.249 577 Y CB -0.008 38.169 38.460 -0.471 0.000 1.146 577 Y HN 0.018 nan 8.280 nan 0.000 0.524 578 Y N 2.477 122.743 120.300 -0.055 0.000 2.578 578 Y HA 0.208 4.762 4.550 0.006 0.000 0.339 578 Y C -0.101 175.727 175.900 -0.121 0.000 1.231 578 Y CA 0.083 58.192 58.100 0.015 0.000 1.461 578 Y CB 0.539 39.016 38.460 0.029 0.000 1.323 578 Y HN 0.120 nan 8.280 nan 0.000 0.590 579 D N 6.128 125.911 120.400 -1.028 0.000 2.688 579 D HA -0.002 4.642 4.640 0.007 0.000 0.210 579 D C 0.115 175.788 176.300 -1.045 0.000 1.333 579 D CA -0.502 52.964 54.000 -0.889 0.000 0.920 579 D CB 1.386 41.983 40.800 -0.339 0.000 1.554 579 D HN 0.705 nan 8.370 nan 0.000 0.579 580 L N 5.295 125.909 121.223 -1.015 0.000 2.010 580 L HA -0.208 4.136 4.340 0.007 0.000 0.219 580 L C 2.255 178.869 176.870 -0.427 0.000 1.077 580 L CA 2.155 56.630 54.840 -0.609 0.000 0.773 580 L CB -0.352 41.546 42.059 -0.268 0.000 0.892 580 L HN 0.484 nan 8.230 nan 0.000 0.436 581 R N -0.962 119.359 120.500 -0.299 0.000 2.096 581 R HA -0.129 4.215 4.340 0.007 0.000 0.235 581 R C 1.972 178.173 176.300 -0.165 0.000 1.127 581 R CA 1.387 57.369 56.100 -0.197 0.000 0.968 581 R CB -0.595 29.613 30.300 -0.154 0.000 0.861 581 R HN 0.461 nan 8.270 nan 0.000 0.440 582 N N 0.853 119.443 118.700 -0.184 0.000 2.142 582 N HA -0.085 4.659 4.740 0.007 0.000 0.186 582 N C 1.677 177.066 175.510 -0.203 0.000 1.023 582 N CA 1.466 54.442 53.050 -0.123 0.000 0.852 582 N CB -0.376 38.036 38.487 -0.125 0.000 0.998 582 N HN 0.230 nan 8.380 nan 0.000 0.424 583 A N 0.440 123.055 122.820 -0.341 0.000 1.877 583 A HA -0.132 4.192 4.320 0.007 0.000 0.216 583 A C 2.356 179.763 177.584 -0.294 0.000 1.186 583 A CA 2.093 53.909 52.037 -0.369 0.000 0.620 583 A CB -1.173 17.351 19.000 -0.793 0.000 0.822 583 A HN 0.300 nan 8.150 nan 0.000 0.443 584 T N 0.357 114.714 114.554 -0.329 0.000 2.746 584 T HA -0.027 4.327 4.350 0.007 0.000 0.267 584 T C 2.213 176.888 174.700 -0.042 0.000 1.039 584 T CA 1.571 63.614 62.100 -0.094 0.000 1.142 584 T CB -0.514 68.310 68.868 -0.074 0.000 0.866 584 T HN 0.620 nan 8.240 nan 0.000 0.444 585 A N 1.030 123.814 122.820 -0.060 0.000 1.948 585 A HA -0.111 4.213 4.320 0.007 0.000 0.220 585 A C 2.248 179.803 177.584 -0.050 0.000 1.177 585 A CA 1.472 53.504 52.037 -0.010 0.000 0.636 585 A CB -0.823 18.213 19.000 0.060 0.000 0.815 585 A HN 0.533 nan 8.150 nan 0.000 0.449 586 I N -0.076 120.403 120.570 -0.152 0.000 2.163 586 I HA -0.224 3.950 4.170 0.007 0.000 0.240 586 I C 2.917 178.835 176.117 -0.330 0.000 1.081 586 I CA 1.896 63.019 61.300 -0.295 0.000 1.353 586 I CB -0.474 37.285 38.000 -0.402 0.000 1.054 586 I HN 0.545 nan 8.210 nan 0.000 0.407 587 T N -2.697 111.707 114.554 -0.251 0.000 2.812 587 T HA -0.121 4.233 4.350 0.007 0.000 0.264 587 T C 1.854 176.572 174.700 0.030 0.000 1.042 587 T CA 1.697 63.708 62.100 -0.148 0.000 1.140 587 T CB -0.937 67.975 68.868 0.074 0.000 0.870 587 T HN 0.209 nan 8.240 nan 0.000 0.445 588 T N 1.393 115.983 114.554 0.060 0.000 2.746 588 T HA 0.015 4.369 4.350 0.007 0.000 0.267 588 T C 1.375 176.126 174.700 0.086 0.000 1.039 588 T CA 1.226 63.374 62.100 0.080 0.000 1.142 588 T CB -0.675 68.231 68.868 0.063 0.000 0.866 588 T HN 0.382 nan 8.240 nan 0.000 0.444 589 F N 1.965 121.879 119.950 -0.060 0.000 2.095 589 F HA -0.009 4.522 4.527 0.007 0.000 0.298 589 F C 2.460 178.248 175.800 -0.020 0.000 1.104 589 F CA 1.388 59.349 58.000 -0.066 0.000 1.232 589 F CB -0.762 38.169 39.000 -0.115 0.000 0.987 589 F HN 0.189 nan 8.300 nan 0.000 0.475 590 G N -0.587 108.330 108.800 0.194 0.000 2.446 590 G HA2 -0.272 3.692 3.960 0.007 0.000 0.217 590 G HA3 -0.272 3.692 3.960 0.007 0.000 0.217 590 G C 1.507 176.487 174.900 0.134 0.000 1.168 590 G CA 0.682 45.896 45.100 0.191 0.000 0.771 590 G HN 0.288 nan 8.290 nan 0.000 0.551 591 Q N -0.435 119.440 119.800 0.124 0.000 2.170 591 Q HA 0.026 4.370 4.340 0.007 0.000 0.203 591 Q C 2.383 178.443 176.000 0.101 0.000 0.976 591 Q CA 0.877 56.759 55.803 0.132 0.000 0.858 591 Q CB -0.299 28.526 28.738 0.146 0.000 0.907 591 Q HN 0.616 nan 8.270 nan 0.000 0.433 592 M N -0.839 118.775 119.600 0.023 0.000 2.236 592 M HA -0.061 4.423 4.480 0.007 0.000 0.266 592 M C 1.848 178.167 176.300 0.031 0.000 1.070 592 M CA 1.337 56.639 55.300 0.003 0.000 1.137 592 M CB -0.024 32.497 32.600 -0.132 0.000 1.378 592 M HN 0.128 nan 8.290 nan 0.000 0.426 593 A N 0.830 123.618 122.820 -0.053 0.000 1.930 593 A HA -0.146 4.178 4.320 0.007 0.000 0.217 593 A C 2.065 179.860 177.584 0.350 0.000 1.175 593 A CA 1.145 53.265 52.037 0.137 0.000 0.627 593 A CB -0.956 18.075 19.000 0.052 0.000 0.815 593 A HN 0.596 nan 8.150 nan 0.000 0.443 594 L N -0.421 120.940 121.223 0.229 0.000 2.072 594 L HA -0.151 4.193 4.340 0.007 0.000 0.205 594 L C 2.315 179.284 176.870 0.165 0.000 1.079 594 L CA 2.167 57.132 54.840 0.208 0.000 0.752 594 L CB -0.929 41.217 42.059 0.144 0.000 0.906 594 L HN 0.526 nan 8.230 nan 0.000 0.436 595 Q N -1.402 118.495 119.800 0.161 0.000 2.245 595 Q HA -0.204 4.140 4.340 0.007 0.000 0.201 595 Q C 1.924 178.002 176.000 0.130 0.000 0.955 595 Q CA 1.202 57.080 55.803 0.126 0.000 0.870 595 Q CB -0.168 28.649 28.738 0.132 0.000 0.945 595 Q HN 0.626 nan 8.270 nan 0.000 0.461 596 W N 1.116 122.403 121.300 -0.022 0.000 2.354 596 W HA -0.192 4.472 4.660 0.007 0.000 0.315 596 W C 1.636 178.050 176.519 -0.174 0.000 1.206 596 W CA 1.004 58.304 57.345 -0.074 0.000 1.290 596 W CB -0.253 29.181 29.460 -0.045 0.000 1.152 596 W HN 0.138 nan 8.180 nan 0.000 0.489 597 I N 1.616 122.222 120.570 0.060 0.000 2.614 597 I HA -0.234 3.940 4.170 0.007 0.000 0.258 597 I C 2.545 178.564 176.117 -0.163 0.000 1.189 597 I CA 1.837 63.005 61.300 -0.220 0.000 1.462 597 I CB -0.698 37.056 38.000 -0.409 0.000 1.092 597 I HN 0.112 nan 8.210 nan 0.000 0.442 598 E N 0.371 120.528 120.200 -0.071 0.000 2.031 598 E HA -0.272 4.082 4.350 0.007 0.000 0.193 598 E C 2.442 178.988 176.600 -0.091 0.000 0.994 598 E CA 0.868 57.233 56.400 -0.059 0.000 0.800 598 E CB -0.249 29.444 29.700 -0.012 0.000 0.752 598 E HN 0.315 nan 8.360 nan 0.000 0.447 599 R N 0.649 121.069 120.500 -0.133 0.000 2.096 599 R HA -0.203 4.141 4.340 0.007 0.000 0.240 599 R C 2.271 178.436 176.300 -0.224 0.000 1.139 599 R CA 1.981 57.970 56.100 -0.185 0.000 0.952 599 R CB -0.163 29.967 30.300 -0.283 0.000 0.854 599 R HN -0.003 nan 8.270 nan 0.000 0.436 600 K N -0.425 119.785 120.400 -0.318 0.000 2.057 600 K HA -0.044 4.280 4.320 0.007 0.000 0.206 600 K C 1.975 178.461 176.600 -0.190 0.000 1.050 600 K CA 0.902 56.994 56.287 -0.325 0.000 0.935 600 K CB -0.187 32.050 32.500 -0.439 0.000 0.715 600 K HN -0.027 nan 8.250 nan 0.000 0.439 601 V N 1.616 121.424 119.914 -0.177 0.000 2.261 601 V HA -0.279 3.845 4.120 0.007 0.000 0.246 601 V C 1.844 177.919 176.094 -0.032 0.000 1.047 601 V CA 1.828 64.055 62.300 -0.123 0.000 1.015 601 V CB -0.576 31.139 31.823 -0.181 0.000 0.642 601 V HN 0.389 nan 8.190 nan 0.000 0.446 602 N N 0.206 118.914 118.700 0.014 0.000 2.037 602 N HA -0.235 4.509 4.740 0.007 0.000 0.196 602 N C 1.834 177.397 175.510 0.088 0.000 1.034 602 N CA 1.966 55.099 53.050 0.138 0.000 0.861 602 N CB -0.375 38.170 38.487 0.097 0.000 1.039 602 N HN 0.595 nan 8.380 nan 0.000 0.427 603 E N -0.522 119.678 120.200 0.000 0.000 2.049 603 E HA -0.236 4.118 4.350 0.007 0.000 0.198 603 E C 1.885 178.479 176.600 -0.011 0.000 1.007 603 E CA 1.261 57.650 56.400 -0.018 0.000 0.809 603 E CB -0.276 29.379 29.700 -0.075 0.000 0.749 603 E HN 0.495 nan 8.360 nan 0.000 0.450 604 Y N 1.072 121.291 120.300 -0.134 0.000 2.114 604 Y HA -0.222 4.332 4.550 0.007 0.000 0.284 604 Y C 2.020 177.823 175.900 -0.162 0.000 1.143 604 Y CA 1.479 59.492 58.100 -0.145 0.000 1.135 604 Y CB -0.077 38.276 38.460 -0.179 0.000 0.980 604 Y HN -0.040 nan 8.280 nan 0.000 0.499 605 L N 0.320 121.318 121.223 -0.376 0.000 2.217 605 L HA -0.206 4.138 4.340 0.007 0.000 0.211 605 L C 2.210 178.780 176.870 -0.501 0.000 1.107 605 L CA 0.845 55.258 54.840 -0.711 0.000 0.783 605 L CB -0.587 40.728 42.059 -1.241 0.000 0.919 605 L HN 0.375 nan 8.230 nan 0.000 0.442 606 N N -0.205 118.444 118.700 -0.084 0.000 2.084 606 N HA -0.199 4.545 4.740 0.007 0.000 0.190 606 N C 1.787 177.284 175.510 -0.021 0.000 1.030 606 N CA 1.106 54.238 53.050 0.137 0.000 0.849 606 N CB -0.020 38.570 38.487 0.172 0.000 1.012 606 N HN 0.269 nan 8.380 nan 0.000 0.423 607 E N 1.007 121.146 120.200 -0.101 0.000 2.153 607 E HA -0.069 4.285 4.350 0.007 0.000 0.194 607 E C 1.827 178.331 176.600 -0.159 0.000 0.988 607 E CA 0.462 56.796 56.400 -0.110 0.000 0.811 607 E CB 0.076 29.716 29.700 -0.099 0.000 0.746 607 E HN 0.073 nan 8.360 nan 0.000 0.466 608 V N -0.433 119.305 119.914 -0.292 0.000 3.052 608 V HA -0.139 3.985 4.120 0.007 0.000 0.254 608 V C 1.899 177.909 176.094 -0.141 0.000 1.100 608 V CA 0.896 63.024 62.300 -0.286 0.000 1.112 608 V CB 0.093 31.578 31.823 -0.563 0.000 0.738 608 V HN 0.296 nan 8.190 nan 0.000 0.469 609 C N 0.672 119.909 119.300 -0.104 0.000 2.626 609 C HA 0.429 4.893 4.460 0.007 0.000 0.266 609 C C 2.051 177.046 174.990 0.009 0.000 1.317 609 C CA 0.094 59.103 59.018 -0.015 0.000 1.716 609 C CB -1.022 26.762 27.740 0.073 0.000 1.819 609 C HN 0.759 nan 8.230 nan 0.000 0.578 610 G N 1.201 109.996 108.800 -0.009 0.000 2.168 610 G HA2 -0.261 3.703 3.960 0.007 0.000 0.263 610 G HA3 -0.261 3.703 3.960 0.007 0.000 0.263 610 G C 0.285 175.195 174.900 0.017 0.000 0.977 610 G CA 0.854 45.954 45.100 -0.001 0.000 0.659 610 G HN 0.479 nan 8.290 nan 0.000 0.533 611 T N 0.441 115.024 114.554 0.048 0.000 2.788 611 T HA 0.539 4.893 4.350 0.007 0.000 0.287 611 T C -0.148 174.581 174.700 0.049 0.000 1.007 611 T CA 0.168 62.308 62.100 0.067 0.000 1.005 611 T CB 0.982 69.948 68.868 0.163 0.000 1.012 611 T HN 0.171 nan 8.240 nan 0.000 0.530 612 E N 0.301 120.520 120.200 0.032 0.000 2.361 612 E HA 0.404 4.758 4.350 0.007 0.000 0.270 612 E C 0.446 177.049 176.600 0.005 0.000 0.911 612 E CA 0.050 56.461 56.400 0.018 0.000 0.818 612 E CB 1.111 30.814 29.700 0.004 0.000 1.332 612 E HN 0.920 nan 8.360 nan 0.000 0.402 613 G N 2.905 111.711 108.800 0.011 0.000 2.179 613 G HA2 -0.253 3.711 3.960 0.007 0.000 0.260 613 G HA3 -0.253 3.711 3.960 0.007 0.000 0.260 613 G C 0.516 175.391 174.900 -0.042 0.000 0.977 613 G CA 0.325 45.420 45.100 -0.009 0.000 0.641 613 G HN 0.403 nan 8.290 nan 0.000 0.533 614 E N 0.357 120.507 120.200 -0.083 0.000 2.425 614 E HA 0.515 4.869 4.350 0.007 0.000 0.258 614 E C 0.567 177.008 176.600 -0.266 0.000 1.151 614 E CA 0.667 56.931 56.400 -0.228 0.000 0.958 614 E CB 0.968 30.429 29.700 -0.399 0.000 0.968 614 E HN 0.917 nan 8.360 nan 0.000 0.451 615 A N 2.801 125.431 122.820 -0.316 0.000 2.267 615 A HA 0.405 4.729 4.320 0.007 0.000 0.315 615 A C -0.063 177.370 177.584 -0.251 0.000 1.297 615 A CA -0.487 51.443 52.037 -0.179 0.000 0.865 615 A CB -0.095 18.856 19.000 -0.082 0.000 1.165 615 A HN 0.534 nan 8.150 nan 0.000 0.513 616 F N 2.042 122.003 119.950 0.017 0.000 2.530 616 F HA 0.086 4.617 4.527 0.007 0.000 0.292 616 F C 0.950 176.764 175.800 0.024 0.000 1.109 616 F CA 0.351 58.374 58.000 0.038 0.000 1.450 616 F CB 0.342 39.370 39.000 0.047 0.000 1.114 616 F HN 0.289 nan 8.300 nan 0.000 0.560 617 V N 4.576 124.588 119.914 0.163 0.000 2.405 617 V HA 0.023 4.147 4.120 0.007 0.000 0.264 617 V C 1.085 177.170 176.094 -0.015 0.000 1.048 617 V CA -0.273 62.068 62.300 0.067 0.000 0.966 617 V CB 0.838 32.682 31.823 0.036 0.000 1.015 617 V HN 0.227 nan 8.190 nan 0.000 0.477 618 L N 3.818 124.977 121.223 -0.106 0.000 2.590 618 L HA 0.472 4.816 4.340 0.007 0.000 0.227 618 L C -0.066 176.606 176.870 -0.330 0.000 1.099 618 L CA 0.687 55.362 54.840 -0.275 0.000 0.872 618 L CB -0.558 41.180 42.059 -0.536 0.000 1.088 618 L HN 0.600 nan 8.230 nan 0.000 0.479 619 Y N -0.389 119.679 120.300 -0.386 0.000 2.687 619 Y HA 0.583 5.137 4.550 0.007 0.000 0.338 619 Y C -1.223 174.665 175.900 -0.021 0.000 1.189 619 Y CA -0.360 57.531 58.100 -0.349 0.000 1.097 619 Y CB 1.390 39.340 38.460 -0.850 0.000 1.342 619 Y HN 0.065 nan 8.280 nan 0.000 0.461 620 G N 3.191 111.496 108.800 -0.823 0.000 2.768 620 G HA2 0.432 4.396 3.960 0.007 0.000 0.297 620 G HA3 0.432 4.396 3.960 0.007 0.000 0.297 620 G C -2.721 171.788 174.900 -0.651 0.000 1.430 620 G CA -0.599 44.208 45.100 -0.487 0.000 1.030 620 G HN 0.459 nan 8.290 nan 0.000 0.553 621 D N 1.168 121.383 120.400 -0.308 0.000 2.629 621 D HA 0.564 5.208 4.640 0.007 0.000 0.250 621 D C 1.266 177.575 176.300 0.015 0.000 1.126 621 D CA 0.484 54.419 54.000 -0.108 0.000 0.852 621 D CB 1.875 42.703 40.800 0.045 0.000 1.335 621 D HN 0.440 nan 8.370 nan 0.000 0.518 622 T N 2.817 117.392 114.554 0.035 0.000 13.019 622 T HA -0.332 4.022 4.350 0.007 0.000 0.419 622 T C 0.745 175.480 174.700 0.059 0.000 1.441 622 T CA 2.282 64.415 62.100 0.057 0.000 2.367 622 T CB -1.119 67.752 68.868 0.005 0.000 2.820 622 T HN 0.704 nan 8.240 nan 0.000 0.680 623 D N 1.012 121.435 120.400 0.038 0.000 2.500 623 D HA 0.383 5.027 4.640 0.007 0.000 0.217 623 D C -0.142 176.197 176.300 0.063 0.000 1.159 623 D CA -0.002 54.024 54.000 0.043 0.000 0.828 623 D CB 0.379 41.176 40.800 -0.005 0.000 1.039 623 D HN 0.473 nan 8.370 nan 0.000 0.512 624 S N 0.329 116.064 115.700 0.058 0.000 2.547 624 S HA 0.672 5.146 4.470 0.007 0.000 0.281 624 S C -0.170 174.417 174.600 -0.022 0.000 1.118 624 S CA -0.966 57.243 58.200 0.015 0.000 0.947 624 S CB 1.749 64.953 63.200 0.007 0.000 1.053 624 S HN 0.327 nan 8.310 nan 0.000 0.482 625 I N -0.594 119.938 120.570 -0.063 0.000 2.562 625 I HA 0.700 4.874 4.170 0.007 0.000 0.301 625 I C -1.661 174.343 176.117 -0.188 0.000 1.003 625 I CA -1.029 60.245 61.300 -0.043 0.000 1.127 625 I CB 1.048 39.056 38.000 0.013 0.000 1.304 625 I HN 0.497 nan 8.210 nan 0.000 0.446 626 Y N 3.882 124.227 120.300 0.076 0.000 2.328 626 Y HA 0.635 5.189 4.550 0.007 0.000 0.336 626 Y C -0.323 175.606 175.900 0.048 0.000 0.960 626 Y CA -0.865 57.292 58.100 0.094 0.000 1.134 626 Y CB 2.061 40.528 38.460 0.012 0.000 1.166 626 Y HN 0.312 nan 8.280 nan 0.000 0.464 627 V N 2.627 122.706 119.914 0.276 0.000 2.459 627 V HA 0.384 4.508 4.120 0.007 0.000 0.295 627 V C 0.030 176.291 176.094 0.278 0.000 1.029 627 V CA -1.013 61.440 62.300 0.255 0.000 0.874 627 V CB 1.795 33.796 31.823 0.296 0.000 0.985 627 V HN 0.792 nan 8.190 nan 0.000 0.438 628 S N 3.587 119.446 115.700 0.265 0.000 2.548 628 S HA 0.524 4.998 4.470 0.007 0.000 0.277 628 S C 0.762 175.571 174.600 0.348 0.000 1.315 628 S CA 0.241 58.621 58.200 0.301 0.000 1.050 628 S CB 1.321 64.689 63.200 0.280 0.000 0.918 628 S HN 1.137 nan 8.310 nan 0.000 0.497 629 A N 3.736 126.747 122.820 0.319 0.000 2.508 629 A HA 0.273 4.597 4.320 0.007 0.000 0.257 629 A C 1.214 178.901 177.584 0.171 0.000 1.226 629 A CA -0.159 52.028 52.037 0.249 0.000 0.947 629 A CB -0.143 18.994 19.000 0.229 0.000 1.079 629 A HN 0.806 nan 8.150 nan 0.000 0.531 630 D N 1.348 121.887 120.400 0.231 0.000 2.120 630 D HA -0.211 4.433 4.640 0.007 0.000 0.191 630 D C 1.623 177.968 176.300 0.076 0.000 0.994 630 D CA 1.665 55.767 54.000 0.170 0.000 0.838 630 D CB -0.210 40.698 40.800 0.181 0.000 0.976 630 D HN 0.278 nan 8.370 nan 0.000 0.447 631 K N 0.202 120.681 120.400 0.132 0.000 2.077 631 K HA -0.163 4.161 4.320 0.007 0.000 0.213 631 K C 2.216 178.847 176.600 0.050 0.000 1.051 631 K CA 0.868 57.225 56.287 0.117 0.000 0.929 631 K CB -0.532 32.119 32.500 0.252 0.000 0.715 631 K HN 0.178 nan 8.250 nan 0.000 0.451 632 I N 0.285 120.877 120.570 0.037 0.000 2.127 632 I HA -0.324 3.850 4.170 0.007 0.000 0.241 632 I C 1.940 178.046 176.117 -0.017 0.000 1.075 632 I CA 1.036 62.295 61.300 -0.068 0.000 1.334 632 I CB -0.294 37.580 38.000 -0.211 0.000 1.040 632 I HN 0.142 nan 8.210 nan 0.000 0.405 633 I N 0.489 121.015 120.570 -0.072 0.000 2.163 633 I HA -0.300 3.874 4.170 0.007 0.000 0.243 633 I C 2.006 178.029 176.117 -0.158 0.000 1.085 633 I CA 1.724 62.912 61.300 -0.187 0.000 1.347 633 I CB -1.410 36.228 38.000 -0.604 0.000 1.044 633 I HN 0.289 nan 8.210 nan 0.000 0.408 634 D N 0.660 120.994 120.400 -0.112 0.000 2.354 634 D HA -0.188 4.456 4.640 0.007 0.000 0.216 634 D C 2.025 178.276 176.300 -0.081 0.000 0.970 634 D CA 0.791 54.745 54.000 -0.076 0.000 0.905 634 D CB -0.092 40.691 40.800 -0.029 0.000 0.903 634 D HN 0.181 nan 8.370 nan 0.000 0.508 635 K N -0.038 120.308 120.400 -0.089 0.000 2.217 635 K HA -0.072 4.252 4.320 0.007 0.000 0.202 635 K C 1.816 178.327 176.600 -0.149 0.000 1.051 635 K CA 0.519 56.753 56.287 -0.089 0.000 0.952 635 K CB 0.321 32.786 32.500 -0.059 0.000 0.736 635 K HN 0.199 nan 8.250 nan 0.000 0.453 636 V N -5.425 114.344 119.914 -0.242 0.000 3.219 636 V HA 0.487 4.611 4.120 0.007 0.000 0.240 636 V C 0.839 176.744 176.094 -0.315 0.000 1.222 636 V CA 0.128 62.218 62.300 -0.348 0.000 1.181 636 V CB -0.210 31.236 31.823 -0.629 0.000 0.941 636 V HN 0.183 nan 8.190 nan 0.000 0.471 637 G N 0.998 109.650 108.800 -0.247 0.000 2.707 637 G HA2 -0.122 3.842 3.960 0.007 0.000 0.686 637 G HA3 -0.122 3.842 3.960 0.007 0.000 0.686 637 G C -0.508 174.341 174.900 -0.086 0.000 1.315 637 G CA -0.075 44.940 45.100 -0.143 0.000 0.832 637 G HN 0.429 nan 8.290 nan 0.000 0.573 638 E N 0.278 120.491 120.200 0.022 0.000 2.379 638 E HA 0.349 4.703 4.350 0.007 0.000 0.209 638 E C 1.345 177.963 176.600 0.030 0.000 1.284 638 E CA 0.655 57.126 56.400 0.119 0.000 1.333 638 E CB -0.103 29.661 29.700 0.106 0.000 1.307 638 E HN 0.851 nan 8.360 nan 0.000 0.441 639 S N 0.127 115.776 115.700 -0.086 0.000 2.713 639 S HA 0.158 4.632 4.470 0.007 0.000 0.283 639 S C 0.503 174.988 174.600 -0.193 0.000 1.161 639 S CA -1.077 57.058 58.200 -0.109 0.000 0.999 639 S CB 1.070 64.188 63.200 -0.137 0.000 1.039 639 S HN 0.292 nan 8.310 nan 0.000 0.548 640 K N 0.519 120.848 120.400 -0.118 0.000 3.976 640 K HA -0.218 4.106 4.320 0.007 0.000 0.271 640 K C -1.602 174.860 176.600 -0.229 0.000 0.761 640 K CA 0.730 56.963 56.287 -0.090 0.000 0.565 640 K CB -1.795 30.659 32.500 -0.077 0.000 1.890 640 K HN 0.619 nan 8.250 nan 0.000 0.427 641 F N 2.078 122.002 119.950 -0.043 0.000 2.375 641 F HA 0.294 4.825 4.527 0.007 0.000 0.361 641 F C 1.532 177.424 175.800 0.152 0.000 1.117 641 F CA -1.383 56.597 58.000 -0.032 0.000 1.037 641 F CB 1.120 40.067 39.000 -0.088 0.000 1.192 641 F HN 0.088 nan 8.300 nan 0.000 0.452 642 R N 1.194 122.002 120.500 0.512 0.000 2.075 642 R HA -0.012 4.332 4.340 0.007 0.000 0.232 642 R C -0.360 176.053 176.300 0.187 0.000 1.126 642 R CA 0.926 57.176 56.100 0.250 0.000 0.963 642 R CB -0.780 29.607 30.300 0.144 0.000 0.858 642 R HN 0.648 nan 8.270 nan 0.000 0.435 643 D N -2.976 117.543 120.400 0.197 0.000 2.692 643 D HA 0.137 4.781 4.640 0.007 0.000 0.303 643 D C 0.223 176.476 176.300 -0.077 0.000 1.278 643 D CA -0.586 53.452 54.000 0.062 0.000 0.852 643 D CB 0.284 41.086 40.800 0.002 0.000 1.375 643 D HN -0.247 nan 8.370 nan 0.000 0.453 644 T N -0.373 114.029 114.554 -0.253 0.000 2.653 644 T HA -0.206 4.148 4.350 0.007 0.000 0.268 644 T C 1.417 175.480 174.700 -1.062 0.000 1.035 644 T CA 2.164 63.804 62.100 -0.767 0.000 1.154 644 T CB -0.557 67.784 68.868 -0.878 0.000 0.862 644 T HN 0.494 nan 8.240 nan 0.000 0.441 645 N N 0.130 118.490 118.700 -0.565 0.000 2.166 645 N HA -0.133 4.611 4.740 0.007 0.000 0.186 645 N C 1.701 177.063 175.510 -0.247 0.000 1.019 645 N CA 1.032 53.835 53.050 -0.413 0.000 0.856 645 N CB -0.346 38.023 38.487 -0.197 0.000 0.993 645 N HN 0.390 nan 8.380 nan 0.000 0.426 646 H N 0.475 119.412 119.070 -0.221 0.000 2.289 646 H HA -0.161 4.399 4.556 0.007 0.000 0.296 646 H C 1.835 177.178 175.328 0.025 0.000 1.091 646 H CA 2.094 58.146 56.048 0.006 0.000 1.274 646 H CB -0.805 29.074 29.762 0.194 0.000 1.364 646 H HN 0.564 nan 8.280 nan 0.000 0.490 647 W N 0.111 121.168 121.300 -0.406 0.000 2.467 647 W HA 0.018 4.682 4.660 0.007 0.000 0.275 647 W C 1.419 177.818 176.519 -0.201 0.000 1.239 647 W CA 0.922 57.807 57.345 -0.766 0.000 1.266 647 W CB -0.893 27.592 29.460 -1.626 0.000 1.112 647 W HN -0.028 nan 8.180 nan 0.000 0.576 648 V N 2.097 121.713 119.914 -0.497 0.000 2.379 648 V HA -0.271 3.853 4.120 0.007 0.000 0.245 648 V C 2.309 178.387 176.094 -0.027 0.000 1.044 648 V CA 2.411 64.483 62.300 -0.380 0.000 1.036 648 V CB -0.926 30.483 31.823 -0.689 0.000 0.664 648 V HN -0.029 nan 8.190 nan 0.000 0.453 649 D N -0.355 120.048 120.400 0.005 0.000 2.123 649 D HA -0.202 4.442 4.640 0.007 0.000 0.196 649 D C 1.887 178.329 176.300 0.237 0.000 0.992 649 D CA 1.368 55.442 54.000 0.124 0.000 0.833 649 D CB -0.244 40.657 40.800 0.169 0.000 0.954 649 D HN 0.448 nan 8.370 nan 0.000 0.455 650 F N 1.148 121.217 119.950 0.197 0.000 2.102 650 F HA -0.115 4.417 4.527 0.007 0.000 0.298 650 F C 2.113 178.051 175.800 0.231 0.000 1.105 650 F CA 1.173 59.319 58.000 0.243 0.000 1.239 650 F CB -0.350 38.849 39.000 0.332 0.000 0.991 650 F HN -0.095 nan 8.300 nan 0.000 0.474 651 L N -0.101 121.177 121.223 0.090 0.000 2.156 651 L HA -0.140 4.204 4.340 0.007 0.000 0.208 651 L C 2.110 179.029 176.870 0.081 0.000 1.095 651 L CA 1.669 56.529 54.840 0.034 0.000 0.770 651 L CB -0.826 41.384 42.059 0.251 0.000 0.914 651 L HN 0.204 nan 8.230 nan 0.000 0.439 652 D N 0.309 120.756 120.400 0.078 0.000 2.097 652 D HA -0.226 4.418 4.640 0.007 0.000 0.195 652 D C 2.218 178.540 176.300 0.037 0.000 0.989 652 D CA 1.309 55.337 54.000 0.048 0.000 0.827 652 D CB 0.185 41.003 40.800 0.029 0.000 0.966 652 D HN 0.023 nan 8.370 nan 0.000 0.456 653 K N -0.919 119.505 120.400 0.039 0.000 2.032 653 K HA -0.163 4.161 4.320 0.007 0.000 0.209 653 K C 2.019 178.632 176.600 0.022 0.000 1.048 653 K CA 1.226 57.533 56.287 0.034 0.000 0.927 653 K CB -0.361 32.177 32.500 0.063 0.000 0.712 653 K HN 0.222 nan 8.250 nan 0.000 0.441 654 F N 0.740 120.574 119.950 -0.194 0.000 2.186 654 F HA -0.170 4.361 4.527 0.007 0.000 0.299 654 F C 1.979 177.760 175.800 -0.032 0.000 1.090 654 F CA 1.213 59.103 58.000 -0.184 0.000 1.307 654 F CB -0.033 38.732 39.000 -0.392 0.000 1.019 654 F HN 0.023 nan 8.300 nan 0.000 0.489 655 A N 0.196 123.063 122.820 0.077 0.000 1.898 655 A HA -0.142 4.182 4.320 0.007 0.000 0.216 655 A C 2.204 179.799 177.584 0.018 0.000 1.181 655 A CA 1.557 53.658 52.037 0.106 0.000 0.620 655 A CB -0.561 18.521 19.000 0.136 0.000 0.819 655 A HN 0.401 nan 8.150 nan 0.000 0.442 656 R N -0.900 119.592 120.500 -0.012 0.000 2.119 656 R HA 0.032 4.376 4.340 0.007 0.000 0.222 656 R C 1.826 178.089 176.300 -0.062 0.000 1.088 656 R CA 1.324 57.411 56.100 -0.021 0.000 0.984 656 R CB -0.032 30.260 30.300 -0.012 0.000 0.884 656 R HN 0.636 nan 8.270 nan 0.000 0.447 657 E N -1.010 119.130 120.200 -0.099 0.000 2.364 657 E HA 0.063 4.417 4.350 0.007 0.000 0.196 657 E C 1.489 177.983 176.600 -0.176 0.000 0.990 657 E CA 0.313 56.650 56.400 -0.106 0.000 0.886 657 E CB 0.579 30.241 29.700 -0.064 0.000 0.866 657 E HN 0.090 nan 8.360 nan 0.000 0.493 658 R N -0.918 119.393 120.500 -0.316 0.000 2.320 658 R HA 0.284 4.628 4.340 0.007 0.000 0.193 658 R C 2.013 178.007 176.300 -0.511 0.000 0.885 658 R CA 0.242 56.112 56.100 -0.383 0.000 1.085 658 R CB -0.021 29.889 30.300 -0.650 0.000 1.253 658 R HN 0.132 nan 8.270 nan 0.000 0.636 659 M N 0.878 120.192 119.600 -0.475 0.000 2.299 659 M HA 0.036 4.520 4.480 0.007 0.000 0.264 659 M C 1.814 177.906 176.300 -0.347 0.000 1.095 659 M CA 1.438 56.479 55.300 -0.432 0.000 1.165 659 M CB -0.117 32.373 32.600 -0.183 0.000 1.349 659 M HN 0.113 nan 8.290 nan 0.000 0.446 660 E N 0.201 120.312 120.200 -0.149 0.000 2.077 660 E HA -0.187 4.168 4.350 0.007 0.000 0.193 660 E C -0.865 175.671 176.600 -0.107 0.000 0.989 660 E CA 1.216 57.585 56.400 -0.051 0.000 0.800 660 E CB -0.924 28.802 29.700 0.044 0.000 0.746 660 E HN 0.385 nan 8.360 nan 0.000 0.452 661 P HA -0.094 nan 4.420 nan 0.000 0.219 661 P C 0.978 178.148 177.300 -0.218 0.000 1.150 661 P CA 1.443 64.452 63.100 -0.151 0.000 0.814 661 P CB 0.053 31.663 31.700 -0.149 0.000 0.787 662 A N -0.393 122.186 122.820 -0.402 0.000 1.877 662 A HA -0.185 4.139 4.320 0.007 0.000 0.216 662 A C 2.180 179.570 177.584 -0.323 0.000 1.186 662 A CA 1.532 53.268 52.037 -0.501 0.000 0.620 662 A CB -1.662 16.701 19.000 -1.062 0.000 0.822 662 A HN 0.098 nan 8.150 nan 0.000 0.443 663 I N -0.240 120.161 120.570 -0.282 0.000 2.179 663 I HA -0.255 3.919 4.170 0.007 0.000 0.242 663 I C 2.156 178.270 176.117 -0.005 0.000 1.088 663 I CA 1.608 62.800 61.300 -0.180 0.000 1.357 663 I CB -0.378 37.547 38.000 -0.125 0.000 1.051 663 I HN 0.289 nan 8.210 nan 0.000 0.409 664 D N 0.505 120.947 120.400 0.071 0.000 2.116 664 D HA -0.229 4.415 4.640 0.007 0.000 0.193 664 D C 2.331 178.667 176.300 0.060 0.000 0.998 664 D CA 1.430 55.527 54.000 0.161 0.000 0.836 664 D CB -0.136 40.728 40.800 0.107 0.000 0.951 664 D HN 0.180 nan 8.370 nan 0.000 0.449 665 R N 0.011 120.496 120.500 -0.025 0.000 2.105 665 R HA -0.101 4.243 4.340 0.007 0.000 0.239 665 R C 2.362 178.653 176.300 -0.015 0.000 1.135 665 R CA 1.518 57.593 56.100 -0.042 0.000 0.967 665 R CB -0.563 29.687 30.300 -0.083 0.000 0.861 665 R HN 0.180 nan 8.270 nan 0.000 0.442 666 G N -0.616 108.159 108.800 -0.041 0.000 2.421 666 G HA2 -0.247 3.717 3.960 0.007 0.000 0.216 666 G HA3 -0.247 3.717 3.960 0.007 0.000 0.216 666 G C 1.046 176.067 174.900 0.201 0.000 1.171 666 G CA 0.603 45.707 45.100 0.007 0.000 0.775 666 G HN 0.228 nan 8.290 nan 0.000 0.543 667 F N 0.828 120.856 119.950 0.130 0.000 2.293 667 F HA 0.222 4.754 4.527 0.007 0.000 0.297 667 F C 2.829 178.519 175.800 -0.183 0.000 1.089 667 F CA 0.469 58.492 58.000 0.038 0.000 1.377 667 F CB -0.212 38.872 39.000 0.141 0.000 1.051 667 F HN -0.018 nan 8.300 nan 0.000 0.511 668 R N 0.105 120.515 120.500 -0.150 0.000 2.105 668 R HA -0.214 4.130 4.340 0.007 0.000 0.239 668 R C 2.163 178.439 176.300 -0.040 0.000 1.135 668 R CA 1.706 57.656 56.100 -0.251 0.000 0.967 668 R CB -0.508 29.672 30.300 -0.199 0.000 0.861 668 R HN 0.367 nan 8.270 nan 0.000 0.442 669 E N 0.763 121.001 120.200 0.063 0.000 2.072 669 E HA -0.208 4.146 4.350 0.007 0.000 0.191 669 E C 1.997 178.668 176.600 0.118 0.000 0.985 669 E CA 0.967 57.451 56.400 0.139 0.000 0.801 669 E CB 0.004 29.844 29.700 0.234 0.000 0.750 669 E HN 0.234 nan 8.360 nan 0.000 0.452 670 M N 0.263 119.847 119.600 -0.027 0.000 2.279 670 M HA -0.147 4.337 4.480 0.007 0.000 0.264 670 M C 2.392 178.586 176.300 -0.178 0.000 1.062 670 M CA 1.135 56.120 55.300 -0.524 0.000 1.099 670 M CB -0.176 31.763 32.600 -1.103 0.000 1.394 670 M HN 0.337 nan 8.290 nan 0.000 0.426 671 C N 0.620 119.897 119.300 -0.038 0.000 2.440 671 C HA -0.119 4.345 4.460 0.007 0.000 0.278 671 C C 2.446 177.456 174.990 0.033 0.000 1.295 671 C CA 1.566 60.601 59.018 0.029 0.000 1.738 671 C CB -0.756 27.017 27.740 0.056 0.000 1.987 671 C HN 0.667 nan 8.230 nan 0.000 0.492 672 E N -0.806 119.419 120.200 0.042 0.000 2.112 672 E HA -0.135 4.219 4.350 0.007 0.000 0.190 672 E C 1.929 178.594 176.600 0.108 0.000 0.979 672 E CA 1.021 57.457 56.400 0.060 0.000 0.814 672 E CB -0.587 29.147 29.700 0.056 0.000 0.762 672 E HN 0.700 nan 8.360 nan 0.000 0.460 673 Y N 0.438 120.708 120.300 -0.050 0.000 2.114 673 Y HA -0.204 4.349 4.550 0.007 0.000 0.282 673 Y C 1.670 177.521 175.900 -0.081 0.000 1.165 673 Y CA 1.553 59.620 58.100 -0.056 0.000 1.148 673 Y CB -0.120 38.276 38.460 -0.106 0.000 0.972 673 Y HN 0.120 nan 8.280 nan 0.000 0.504 674 M N -0.018 119.523 119.600 -0.099 0.000 2.494 674 M HA 0.052 4.536 4.480 0.007 0.000 0.232 674 M C 0.680 176.931 176.300 -0.082 0.000 1.137 674 M CA 0.513 55.706 55.300 -0.178 0.000 1.012 674 M CB -1.143 31.407 32.600 -0.084 0.000 1.567 674 M HN 0.326 nan 8.290 nan 0.000 0.486 675 N N 2.480 121.158 118.700 -0.037 0.000 2.708 675 N HA -0.209 4.535 4.740 0.007 0.000 0.249 675 N C -0.722 174.783 175.510 -0.008 0.000 1.097 675 N CA 0.419 53.456 53.050 -0.022 0.000 0.710 675 N CB -1.459 37.002 38.487 -0.044 0.000 1.032 675 N HN 0.550 nan 8.380 nan 0.000 0.551 676 N N 0.271 118.972 118.700 0.001 0.000 2.340 676 N HA -0.010 4.734 4.740 0.007 0.000 0.236 676 N C 1.243 176.742 175.510 -0.017 0.000 1.296 676 N CA 0.112 53.153 53.050 -0.016 0.000 0.896 676 N CB 0.488 38.965 38.487 -0.017 0.000 1.127 676 N HN 0.256 nan 8.380 nan 0.000 0.442 677 K N 0.629 121.004 120.400 -0.042 0.000 2.167 677 K HA -0.063 4.261 4.320 0.007 0.000 0.203 677 K C 0.060 176.645 176.600 -0.026 0.000 1.052 677 K CA 1.192 57.460 56.287 -0.031 0.000 0.956 677 K CB 0.266 32.740 32.500 -0.043 0.000 0.735 677 K HN 0.539 nan 8.250 nan 0.000 0.451 678 Q N -0.103 119.670 119.800 -0.044 0.000 2.284 678 Q HA 0.060 4.404 4.340 0.007 0.000 0.269 678 Q C -1.765 174.231 176.000 -0.006 0.000 1.026 678 Q CA -0.668 55.118 55.803 -0.029 0.000 0.831 678 Q CB 1.600 30.288 28.738 -0.083 0.000 1.322 678 Q HN 0.305 nan 8.270 nan 0.000 0.419 679 H N 5.842 124.896 119.070 -0.026 0.000 2.864 679 H HA 0.203 4.763 4.556 0.007 0.000 0.281 679 H C -0.412 174.845 175.328 -0.119 0.000 1.093 679 H CA 0.200 56.235 56.048 -0.021 0.000 1.453 679 H CB 0.539 30.354 29.762 0.088 0.000 1.462 679 H HN 0.664 nan 8.280 nan 0.000 0.480 680 L N 5.269 126.076 121.223 -0.694 0.000 3.016 680 L HA 0.170 4.514 4.340 0.007 0.000 0.267 680 L C 0.317 176.261 176.870 -1.544 0.000 1.182 680 L CA -0.105 53.927 54.840 -1.347 0.000 0.997 680 L CB 0.480 42.041 42.059 -0.831 0.000 1.354 680 L HN 0.647 nan 8.230 nan 0.000 0.569 681 M N 1.648 120.709 119.600 -0.897 0.000 3.011 681 M HA 0.205 4.689 4.480 0.007 0.000 0.292 681 M C -1.039 175.116 176.300 -0.242 0.000 1.440 681 M CA 0.330 55.259 55.300 -0.618 0.000 1.552 681 M CB -0.605 31.522 32.600 -0.789 0.000 1.187 681 M HN -0.095 nan 8.290 nan 0.000 0.520 682 F N 3.046 122.887 119.950 -0.182 0.000 2.313 682 F HA 0.467 4.997 4.527 0.006 0.000 0.369 682 F C 0.365 176.190 175.800 0.042 0.000 1.109 682 F CA -1.215 56.766 58.000 -0.032 0.000 1.132 682 F CB 0.354 39.324 39.000 -0.050 0.000 1.291 682 F HN 0.433 nan 8.300 nan 0.000 0.496 683 M N 5.503 125.302 119.600 0.331 0.000 2.149 683 M HA 0.433 4.917 4.480 0.007 0.000 0.342 683 M C -1.459 175.028 176.300 0.312 0.000 1.068 683 M CA -0.282 55.206 55.300 0.313 0.000 0.991 683 M CB 0.916 33.764 32.600 0.414 0.000 1.596 683 M HN 0.612 nan 8.290 nan 0.000 0.439 684 D N 3.266 123.827 120.400 0.268 0.000 2.614 684 D HA 0.367 5.011 4.640 0.007 0.000 0.264 684 D C -1.136 175.245 176.300 0.136 0.000 1.092 684 D CA -0.857 53.284 54.000 0.235 0.000 1.071 684 D CB 0.882 41.751 40.800 0.116 0.000 1.443 684 D HN 0.610 nan 8.370 nan 0.000 0.528 685 R N 0.186 120.640 120.500 -0.075 0.000 2.267 685 R HA 0.138 4.482 4.340 0.007 0.000 0.319 685 R C 0.050 176.166 176.300 -0.308 0.000 1.067 685 R CA -0.060 55.729 56.100 -0.518 0.000 0.936 685 R CB 0.887 30.863 30.300 -0.540 0.000 1.006 685 R HN 0.588 nan 8.270 nan 0.000 0.452 686 E N 3.722 123.724 120.200 -0.330 0.000 2.046 686 E HA 0.208 4.562 4.350 0.007 0.000 0.199 686 E C -0.533 175.998 176.600 -0.114 0.000 0.948 686 E CA 0.860 57.166 56.400 -0.155 0.000 0.876 686 E CB 0.043 29.687 29.700 -0.093 0.000 0.901 686 E HN 0.695 nan 8.360 nan 0.000 0.479 687 A N 0.485 123.264 122.820 -0.068 0.000 2.312 687 A HA 0.633 4.957 4.320 0.007 0.000 0.328 687 A C -0.685 176.948 177.584 0.081 0.000 1.158 687 A CA -0.523 51.543 52.037 0.048 0.000 0.821 687 A CB 0.535 19.632 19.000 0.161 0.000 1.170 687 A HN 0.371 nan 8.150 nan 0.000 0.490 688 I N 1.562 122.230 120.570 0.163 0.000 2.382 688 I HA 0.555 4.729 4.170 0.007 0.000 0.286 688 I C 0.245 176.635 176.117 0.455 0.000 1.002 688 I CA -0.213 61.264 61.300 0.295 0.000 1.135 688 I CB 1.748 39.915 38.000 0.277 0.000 1.288 688 I HN 0.698 nan 8.210 nan 0.000 0.448 689 A N 4.615 127.744 122.820 0.515 0.000 2.386 689 A HA 1.001 5.325 4.320 0.007 0.000 0.311 689 A C -0.290 177.690 177.584 0.661 0.000 1.068 689 A CA -0.501 51.871 52.037 0.557 0.000 0.743 689 A CB 1.843 21.049 19.000 0.344 0.000 1.258 689 A HN 0.851 nan 8.150 nan 0.000 0.429 690 G N 0.712 109.994 108.800 0.803 0.000 2.559 690 G HA2 0.725 4.689 3.960 0.007 0.000 0.291 690 G HA3 0.725 4.689 3.960 0.007 0.000 0.291 690 G C -3.509 171.730 174.900 0.565 0.000 1.424 690 G CA -0.930 44.456 45.100 0.476 0.000 0.786 690 G HN 0.549 nan 8.290 nan 0.000 0.485 691 P HA 0.393 nan 4.420 nan 0.000 0.281 691 P C -2.828 174.765 177.300 0.488 0.000 1.249 691 P CA -1.667 61.600 63.100 0.278 0.000 0.810 691 P CB 0.886 32.606 31.700 0.033 0.000 1.008 692 P HA 0.114 nan 4.420 nan 0.000 0.271 692 P C 0.314 177.782 177.300 0.279 0.000 1.220 692 P CA -0.031 63.323 63.100 0.424 0.000 0.768 692 P CB 0.272 32.237 31.700 0.442 0.000 0.848 693 L N 3.345 124.723 121.223 0.257 0.000 2.640 693 L HA -0.034 4.310 4.340 0.007 0.000 0.280 693 L C 1.458 178.424 176.870 0.161 0.000 1.229 693 L CA 1.497 56.481 54.840 0.240 0.000 0.919 693 L CB -0.737 41.449 42.059 0.212 0.000 1.168 693 L HN 0.866 nan 8.230 nan 0.000 0.496 694 G N 2.274 111.159 108.800 0.141 0.000 2.143 694 G HA2 -0.274 3.690 3.960 0.007 0.000 0.249 694 G HA3 -0.274 3.690 3.960 0.007 0.000 0.249 694 G C 0.248 175.207 174.900 0.098 0.000 0.981 694 G CA 0.373 45.537 45.100 0.107 0.000 0.665 694 G HN 0.868 nan 8.290 nan 0.000 0.528 695 S N -1.211 114.557 115.700 0.113 0.000 2.713 695 S HA 0.702 5.176 4.470 0.007 0.000 0.283 695 S C 0.769 175.416 174.600 0.078 0.000 1.161 695 S CA -0.193 58.068 58.200 0.101 0.000 0.999 695 S CB 1.809 65.087 63.200 0.129 0.000 1.039 695 S HN 0.203 nan 8.310 nan 0.000 0.548 696 K N 0.348 120.787 120.400 0.065 0.000 2.437 696 K HA 0.215 4.539 4.320 0.007 0.000 0.198 696 K C 0.971 177.598 176.600 0.045 0.000 1.024 696 K CA -0.038 56.277 56.287 0.047 0.000 1.148 696 K CB -0.240 32.283 32.500 0.040 0.000 0.860 696 K HN 0.741 nan 8.250 nan 0.000 0.515 697 G N 1.097 109.935 108.800 0.063 0.000 2.569 697 G HA2 0.122 4.086 3.960 0.007 0.000 0.249 697 G HA3 0.122 4.086 3.960 0.007 0.000 0.249 697 G C 0.763 175.687 174.900 0.040 0.000 1.216 697 G CA -0.498 44.641 45.100 0.064 0.000 0.845 697 G HN 0.348 nan 8.290 nan 0.000 0.568 698 I N -0.922 119.676 120.570 0.047 0.000 3.860 698 I HA 0.353 4.527 4.170 0.007 0.000 0.319 698 I C 1.582 177.724 176.117 0.041 0.000 1.279 698 I CA 0.648 61.968 61.300 0.033 0.000 1.220 698 I CB 0.213 38.244 38.000 0.051 0.000 1.027 698 I HN 0.819 nan 8.210 nan 0.000 0.428 699 G N 1.527 110.368 108.800 0.068 0.000 3.078 699 G HA2 -0.223 3.741 3.960 0.007 0.000 0.227 699 G HA3 -0.223 3.741 3.960 0.007 0.000 0.227 699 G C 0.540 175.518 174.900 0.129 0.000 1.306 699 G CA 0.057 45.209 45.100 0.085 0.000 0.841 699 G HN 1.231 nan 8.290 nan 0.000 0.530 700 G N -1.127 107.779 108.800 0.178 0.000 2.547 700 G HA2 0.821 4.785 3.960 0.007 0.000 0.291 700 G HA3 0.821 4.785 3.960 0.007 0.000 0.291 700 G C -0.987 174.142 174.900 0.382 0.000 1.471 700 G CA 0.067 45.286 45.100 0.197 0.000 0.798 700 G HN 1.747 nan 8.290 nan 0.000 0.504 701 F N -2.022 118.008 119.950 0.132 0.000 2.668 701 F HA 0.857 5.388 4.527 0.007 0.000 0.309 701 F C -1.834 174.069 175.800 0.172 0.000 1.117 701 F CA -2.080 56.077 58.000 0.261 0.000 0.951 701 F CB 1.512 40.584 39.000 0.119 0.000 1.323 701 F HN 0.543 nan 8.300 nan 0.000 0.451 702 W N 2.275 123.741 121.300 0.277 0.000 2.702 702 W HA 0.320 4.984 4.660 0.006 0.000 0.331 702 W C 0.392 177.054 176.519 0.237 0.000 1.049 702 W CA -0.116 57.272 57.345 0.072 0.000 1.230 702 W CB 2.813 32.217 29.460 -0.093 0.000 1.408 702 W HN 0.915 nan 8.180 nan 0.000 0.492 703 T N -0.118 114.636 114.554 0.333 0.000 3.010 703 T HA 0.369 4.723 4.350 0.007 0.000 0.252 703 T C 0.669 175.496 174.700 0.212 0.000 1.047 703 T CA 1.058 63.335 62.100 0.296 0.000 1.140 703 T CB 0.914 69.953 68.868 0.285 0.000 0.885 703 T HN 0.494 nan 8.240 nan 0.000 0.464 704 G N 0.166 109.079 108.800 0.187 0.000 2.494 704 G HA2 0.462 4.426 3.960 0.007 0.000 0.308 704 G HA3 0.462 4.426 3.960 0.007 0.000 0.308 704 G C -1.795 173.187 174.900 0.136 0.000 1.263 704 G CA -1.172 44.015 45.100 0.146 0.000 0.840 704 G HN 0.246 nan 8.290 nan 0.000 0.479 705 K N 1.141 121.617 120.400 0.126 0.000 2.447 705 K HA 0.265 4.589 4.320 0.007 0.000 0.281 705 K C 0.115 176.809 176.600 0.158 0.000 1.031 705 K CA 0.505 56.898 56.287 0.178 0.000 1.019 705 K CB 0.300 32.886 32.500 0.143 0.000 0.918 705 K HN 0.563 nan 8.250 nan 0.000 0.476 706 K N 1.614 122.156 120.400 0.237 0.000 3.281 706 K HA -0.246 4.078 4.320 0.007 0.000 0.295 706 K C -0.700 175.896 176.600 -0.007 0.000 1.233 706 K CA 0.943 57.352 56.287 0.204 0.000 0.866 706 K CB -0.949 31.645 32.500 0.157 0.000 1.265 706 K HN 0.600 nan 8.250 nan 0.000 0.482 707 R N 0.481 120.954 120.500 -0.046 0.000 2.521 707 R HA 0.340 4.684 4.340 0.007 0.000 0.295 707 R C -1.063 174.984 176.300 -0.421 0.000 1.183 707 R CA -0.746 55.226 56.100 -0.214 0.000 0.957 707 R CB 0.868 31.138 30.300 -0.050 0.000 1.171 707 R HN 0.257 nan 8.270 nan 0.000 0.494 708 Y N -1.049 118.747 120.300 -0.841 0.000 2.641 708 Y HA 0.790 5.344 4.550 0.006 0.000 0.333 708 Y C -1.869 173.331 175.900 -1.167 0.000 1.174 708 Y CA -1.350 55.936 58.100 -1.356 0.000 1.057 708 Y CB 1.376 38.297 38.460 -2.566 0.000 1.322 708 Y HN 0.424 nan 8.280 nan 0.000 0.457 709 A N 3.123 125.266 122.820 -1.127 0.000 2.398 709 A HA 0.833 5.157 4.320 0.007 0.000 0.301 709 A C -1.930 175.350 177.584 -0.506 0.000 1.041 709 A CA -0.810 50.748 52.037 -0.798 0.000 0.711 709 A CB 1.249 19.743 19.000 -0.843 0.000 1.240 709 A HN 0.785 nan 8.150 nan 0.000 0.420 710 L N 1.467 122.525 121.223 -0.274 0.000 2.362 710 L HA 0.459 4.803 4.340 0.007 0.000 0.271 710 L C -0.360 176.465 176.870 -0.074 0.000 1.002 710 L CA -1.034 53.752 54.840 -0.090 0.000 0.818 710 L CB 2.288 44.362 42.059 0.026 0.000 1.298 710 L HN 0.777 nan 8.230 nan 0.000 0.420 711 N N 1.636 120.326 118.700 -0.017 0.000 2.521 711 N HA 0.294 5.038 4.740 0.007 0.000 0.236 711 N C -1.050 174.366 175.510 -0.155 0.000 1.067 711 N CA -0.196 52.788 53.050 -0.110 0.000 0.939 711 N CB 0.753 39.217 38.487 -0.038 0.000 1.201 711 N HN 0.248 nan 8.380 nan 0.000 0.511 712 V N 3.752 123.559 119.914 -0.179 0.000 2.439 712 V HA 0.243 4.367 4.120 0.007 0.000 0.282 712 V C 0.314 176.370 176.094 -0.063 0.000 1.039 712 V CA -0.376 61.929 62.300 0.008 0.000 0.913 712 V CB 1.204 33.120 31.823 0.156 0.000 0.983 712 V HN 0.739 nan 8.190 nan 0.000 0.460 713 W N 0.577 121.995 121.300 0.196 0.000 2.842 713 W HA 0.316 4.980 4.660 0.006 0.000 0.267 713 W C 0.715 177.234 176.519 0.001 0.000 1.219 713 W CA -0.110 57.309 57.345 0.124 0.000 1.458 713 W CB 0.701 30.133 29.460 -0.047 0.000 1.006 713 W HN 0.455 nan 8.180 nan 0.000 0.603 714 D N 0.525 120.998 120.400 0.121 0.000 2.936 714 D HA 0.289 4.933 4.640 0.007 0.000 0.238 714 D C -1.453 174.740 176.300 -0.179 0.000 1.248 714 D CA -0.451 53.461 54.000 -0.147 0.000 0.903 714 D CB 1.744 42.516 40.800 -0.047 0.000 1.544 714 D HN -0.149 nan 8.370 nan 0.000 0.543 715 M N 3.263 122.631 119.600 -0.386 0.000 2.253 715 M HA 0.236 4.720 4.480 0.007 0.000 0.314 715 M C 0.223 176.419 176.300 -0.173 0.000 1.019 715 M CA 0.074 55.257 55.300 -0.196 0.000 0.932 715 M CB 1.498 34.028 32.600 -0.117 0.000 1.606 715 M HN 0.507 nan 8.290 nan 0.000 0.430 716 E N 2.866 123.004 120.200 -0.104 0.000 3.562 716 E HA -0.262 4.092 4.350 0.007 0.000 0.298 716 E C 0.644 177.193 176.600 -0.086 0.000 0.830 716 E CA 2.080 58.431 56.400 -0.081 0.000 1.013 716 E CB -1.139 28.527 29.700 -0.056 0.000 1.510 716 E HN 1.269 nan 8.360 nan 0.000 0.463 717 G N -2.044 106.689 108.800 -0.111 0.000 2.318 717 G HA2 -0.174 3.790 3.960 0.007 0.000 0.172 717 G HA3 -0.174 3.790 3.960 0.007 0.000 0.172 717 G C 0.152 174.981 174.900 -0.119 0.000 1.002 717 G CA -0.078 44.966 45.100 -0.094 0.000 0.697 717 G HN 0.203 nan 8.290 nan 0.000 0.483 718 T N 1.760 116.200 114.554 -0.189 0.000 2.727 718 T HA 0.503 4.857 4.350 0.007 0.000 0.298 718 T C 0.311 174.810 174.700 -0.335 0.000 0.942 718 T CA -0.248 61.714 62.100 -0.230 0.000 0.997 718 T CB 1.302 70.013 68.868 -0.261 0.000 0.917 718 T HN 0.319 nan 8.240 nan 0.000 0.487 719 R N 3.655 124.054 120.500 -0.169 0.000 2.309 719 R HA 0.180 4.524 4.340 0.007 0.000 0.331 719 R C -0.774 175.518 176.300 -0.013 0.000 1.116 719 R CA -0.403 55.639 56.100 -0.097 0.000 0.970 719 R CB -0.719 29.564 30.300 -0.028 0.000 1.024 719 R HN 0.450 nan 8.270 nan 0.000 0.472 720 Y N 2.040 122.373 120.300 0.055 0.000 2.683 720 Y HA -0.003 4.551 4.550 0.007 0.000 0.340 720 Y C 1.585 177.515 175.900 0.050 0.000 1.245 720 Y CA 0.451 58.569 58.100 0.030 0.000 1.485 720 Y CB 0.403 38.860 38.460 -0.005 0.000 1.328 720 Y HN 0.733 nan 8.280 nan 0.000 0.603 721 A N 2.176 125.122 122.820 0.209 0.000 1.872 721 A HA -0.036 4.288 4.320 0.007 0.000 0.214 721 A C 0.536 178.192 177.584 0.121 0.000 1.187 721 A CA 1.050 53.162 52.037 0.126 0.000 0.614 721 A CB -0.175 18.871 19.000 0.077 0.000 0.826 721 A HN 0.685 nan 8.150 nan 0.000 0.442 722 E N 0.046 120.286 120.200 0.067 0.000 2.227 722 E HA 0.434 4.788 4.350 0.007 0.000 0.268 722 E C -2.910 173.622 176.600 -0.115 0.000 0.907 722 E CA -2.619 53.780 56.400 -0.001 0.000 0.786 722 E CB 0.849 30.518 29.700 -0.051 0.000 1.191 722 E HN 0.171 nan 8.360 nan 0.000 0.411 723 P HA 0.185 nan 4.420 nan 0.000 0.275 723 P C -0.717 176.300 177.300 -0.472 0.000 1.227 723 P CA -0.227 62.504 63.100 -0.615 0.000 0.781 723 P CB 1.019 31.894 31.700 -1.374 0.000 0.906 724 K N 2.500 122.619 120.400 -0.467 0.000 2.274 724 K HA 0.411 4.735 4.320 0.007 0.000 0.262 724 K C -0.210 176.215 176.600 -0.293 0.000 0.961 724 K CA -0.797 55.232 56.287 -0.430 0.000 0.833 724 K CB 0.937 33.029 32.500 -0.680 0.000 1.102 724 K HN 0.447 nan 8.250 nan 0.000 0.436 725 L N 3.853 124.930 121.223 -0.244 0.000 2.418 725 L HA 0.174 4.518 4.340 0.007 0.000 0.274 725 L C 0.282 177.047 176.870 -0.174 0.000 1.135 725 L CA -0.032 54.690 54.840 -0.197 0.000 0.870 725 L CB 0.207 42.155 42.059 -0.186 0.000 1.154 725 L HN 0.437 nan 8.230 nan 0.000 0.462 726 K N 5.364 125.676 120.400 -0.147 0.000 2.266 726 K HA 0.464 4.788 4.320 0.007 0.000 0.274 726 K C -0.812 175.625 176.600 -0.271 0.000 1.090 726 K CA -0.291 55.910 56.287 -0.143 0.000 0.925 726 K CB 0.430 32.911 32.500 -0.032 0.000 1.225 726 K HN 0.522 nan 8.250 nan 0.000 0.458 727 I N 5.991 126.377 120.570 -0.307 0.000 2.328 727 I HA 0.253 4.427 4.170 0.007 0.000 0.287 727 I C -0.468 175.370 176.117 -0.465 0.000 1.012 727 I CA -0.736 60.304 61.300 -0.434 0.000 1.195 727 I CB 1.238 39.030 38.000 -0.345 0.000 1.350 727 I HN 0.450 nan 8.210 nan 0.000 0.464 728 M N 3.806 122.955 119.600 -0.751 0.000 2.472 728 M HA 0.442 4.926 4.480 0.007 0.000 0.331 728 M C 1.235 177.172 176.300 -0.605 0.000 1.170 728 M CA -0.444 54.437 55.300 -0.699 0.000 1.009 728 M CB 0.906 32.899 32.600 -1.012 0.000 1.672 728 M HN 0.839 nan 8.290 nan 0.000 0.453 729 G N 2.044 110.643 108.800 -0.335 0.000 2.674 729 G HA2 -0.256 3.708 3.960 0.007 0.000 0.236 729 G HA3 -0.256 3.708 3.960 0.007 0.000 0.236 729 G C 0.386 175.197 174.900 -0.149 0.000 1.178 729 G CA 0.271 45.247 45.100 -0.207 0.000 0.721 729 G HN 0.589 nan 8.290 nan 0.000 0.515 730 L N 0.540 121.634 121.223 -0.215 0.000 2.472 730 L HA 0.166 4.510 4.340 0.007 0.000 0.273 730 L C 1.960 178.831 176.870 0.001 0.000 1.254 730 L CA 0.369 55.150 54.840 -0.100 0.000 0.823 730 L CB 0.117 41.987 42.059 -0.315 0.000 1.096 730 L HN 0.216 nan 8.230 nan 0.000 0.521 731 E N 0.048 120.342 120.200 0.158 0.000 2.267 731 E HA -0.169 4.185 4.350 0.007 0.000 0.197 731 E C 1.808 178.461 176.600 0.089 0.000 0.998 731 E CA 1.570 58.052 56.400 0.137 0.000 0.830 731 E CB -0.155 29.662 29.700 0.195 0.000 0.751 731 E HN 0.820 nan 8.360 nan 0.000 0.491 732 T N -1.722 112.867 114.554 0.059 0.000 3.072 732 T HA -0.065 4.289 4.350 0.007 0.000 0.266 732 T C 1.303 175.999 174.700 -0.007 0.000 1.127 732 T CA 0.506 62.621 62.100 0.025 0.000 1.107 732 T CB 0.079 68.935 68.868 -0.020 0.000 0.910 732 T HN 0.012 nan 8.240 nan 0.000 0.513 733 Q N 0.431 120.213 119.800 -0.030 0.000 2.319 733 Q HA 0.300 4.644 4.340 0.007 0.000 0.209 733 Q C 0.201 176.191 176.000 -0.017 0.000 0.884 733 Q CA 0.233 56.014 55.803 -0.037 0.000 0.938 733 Q CB 0.557 29.246 28.738 -0.083 0.000 1.098 733 Q HN 0.546 nan 8.270 nan 0.000 0.517 734 K N 1.450 121.847 120.400 -0.004 0.000 2.201 734 K HA 0.187 4.511 4.320 0.007 0.000 0.278 734 K C 1.002 177.600 176.600 -0.004 0.000 1.027 734 K CA 0.020 56.304 56.287 -0.005 0.000 0.909 734 K CB 1.293 33.793 32.500 0.001 0.000 1.062 734 K HN 0.006 nan 8.250 nan 0.000 0.465 735 S N 0.317 116.004 115.700 -0.023 0.000 2.474 735 S HA -0.130 4.344 4.470 0.007 0.000 0.235 735 S C 1.508 176.076 174.600 -0.052 0.000 0.997 735 S CA 1.188 59.362 58.200 -0.044 0.000 0.949 735 S CB -0.169 62.985 63.200 -0.077 0.000 0.766 735 S HN 0.596 nan 8.310 nan 0.000 0.517 736 S N 0.977 116.652 115.700 -0.042 0.000 2.527 736 S HA 0.084 4.558 4.470 0.007 0.000 0.222 736 S C 0.950 175.549 174.600 -0.001 0.000 0.985 736 S CA 0.347 58.519 58.200 -0.047 0.000 0.921 736 S CB -0.601 62.566 63.200 -0.055 0.000 0.772 736 S HN 0.662 nan 8.310 nan 0.000 0.529 737 T N 2.726 117.294 114.554 0.024 0.000 2.845 737 T HA 0.455 4.809 4.350 0.007 0.000 0.288 737 T C -3.139 171.611 174.700 0.082 0.000 0.980 737 T CA -2.362 59.775 62.100 0.061 0.000 1.071 737 T CB 0.650 69.562 68.868 0.074 0.000 0.941 737 T HN -0.083 nan 8.240 nan 0.000 0.487 738 P HA 0.116 nan 4.420 nan 0.000 0.266 738 P C 0.869 178.241 177.300 0.120 0.000 1.195 738 P CA -0.340 62.832 63.100 0.120 0.000 0.768 738 P CB 0.531 32.320 31.700 0.147 0.000 0.838 739 K N 2.538 123.004 120.400 0.111 0.000 2.001 739 K HA -0.218 4.106 4.320 0.007 0.000 0.214 739 K C 1.896 178.561 176.600 0.108 0.000 1.050 739 K CA 2.230 58.581 56.287 0.106 0.000 0.934 739 K CB -0.913 31.650 32.500 0.104 0.000 0.718 739 K HN 0.504 nan 8.250 nan 0.000 0.443 740 A N 1.173 124.067 122.820 0.124 0.000 1.908 740 A HA -0.138 4.186 4.320 0.007 0.000 0.218 740 A C 2.481 180.173 177.584 0.179 0.000 1.181 740 A CA 1.712 53.854 52.037 0.175 0.000 0.627 740 A CB -0.707 18.422 19.000 0.216 0.000 0.818 740 A HN 0.104 nan 8.150 nan 0.000 0.445 741 V N -0.126 119.910 119.914 0.204 0.000 2.343 741 V HA -0.330 3.794 4.120 0.007 0.000 0.247 741 V C 2.636 178.798 176.094 0.113 0.000 1.051 741 V CA 2.232 64.635 62.300 0.173 0.000 1.036 741 V CB -0.959 31.021 31.823 0.261 0.000 0.654 741 V HN 0.636 nan 8.190 nan 0.000 0.451 742 Q N -0.109 119.757 119.800 0.111 0.000 2.045 742 Q HA -0.288 4.056 4.340 0.007 0.000 0.206 742 Q C 2.390 178.425 176.000 0.059 0.000 0.991 742 Q CA 1.965 57.821 55.803 0.088 0.000 0.851 742 Q CB -0.261 28.524 28.738 0.078 0.000 0.911 742 Q HN 0.587 nan 8.270 nan 0.000 0.418 743 K N -0.133 120.294 120.400 0.046 0.000 2.147 743 K HA -0.102 4.222 4.320 0.007 0.000 0.205 743 K C 1.986 178.584 176.600 -0.004 0.000 1.049 743 K CA 1.038 57.339 56.287 0.023 0.000 0.936 743 K CB -0.069 32.456 32.500 0.042 0.000 0.722 743 K HN 0.156 nan 8.250 nan 0.000 0.446 744 A N 1.003 123.777 122.820 -0.076 0.000 1.930 744 A HA -0.041 4.283 4.320 0.007 0.000 0.215 744 A C 2.016 179.686 177.584 0.144 0.000 1.176 744 A CA 0.873 52.823 52.037 -0.145 0.000 0.632 744 A CB -0.384 17.844 19.000 -1.287 0.000 0.819 744 A HN 0.135 nan 8.150 nan 0.000 0.445 745 L N -0.714 120.618 121.223 0.182 0.000 2.141 745 L HA -0.159 4.185 4.340 0.007 0.000 0.209 745 L C 2.558 179.529 176.870 0.169 0.000 1.094 745 L CA 1.763 56.767 54.840 0.273 0.000 0.763 745 L CB -0.275 41.972 42.059 0.315 0.000 0.908 745 L HN 0.464 nan 8.230 nan 0.000 0.437 746 K N 0.647 121.085 120.400 0.063 0.000 2.057 746 K HA -0.241 4.083 4.320 0.007 0.000 0.206 746 K C 2.005 178.568 176.600 -0.062 0.000 1.050 746 K CA 1.451 57.727 56.287 -0.019 0.000 0.935 746 K CB 0.010 32.486 32.500 -0.040 0.000 0.715 746 K HN 0.021 nan 8.250 nan 0.000 0.439 747 E N 0.024 120.153 120.200 -0.117 0.000 2.204 747 E HA -0.125 4.229 4.350 0.007 0.000 0.194 747 E C 1.556 178.003 176.600 -0.255 0.000 0.989 747 E CA 1.325 57.545 56.400 -0.300 0.000 0.824 747 E CB -0.466 28.840 29.700 -0.657 0.000 0.756 747 E HN 0.415 nan 8.360 nan 0.000 0.477 748 C N -0.365 118.916 119.300 -0.033 0.000 2.462 748 C HA -0.011 4.453 4.460 0.007 0.000 0.278 748 C C 2.549 177.595 174.990 0.093 0.000 1.253 748 C CA 0.652 59.749 59.018 0.131 0.000 1.713 748 C CB -0.977 26.921 27.740 0.264 0.000 2.049 748 C HN 0.481 nan 8.230 nan 0.000 0.477 749 I N 0.578 121.198 120.570 0.084 0.000 2.194 749 I HA -0.257 3.917 4.170 0.007 0.000 0.246 749 I C 2.820 178.952 176.117 0.025 0.000 1.093 749 I CA 1.684 63.021 61.300 0.061 0.000 1.355 749 I CB -0.492 37.480 38.000 -0.048 0.000 1.046 749 I HN 0.332 nan 8.210 nan 0.000 0.413 750 R N 0.808 121.288 120.500 -0.034 0.000 2.075 750 R HA -0.127 4.217 4.340 0.007 0.000 0.232 750 R C 2.463 178.748 176.300 -0.024 0.000 1.126 750 R CA 1.258 57.326 56.100 -0.054 0.000 0.963 750 R CB -0.085 30.156 30.300 -0.098 0.000 0.858 750 R HN 0.248 nan 8.270 nan 0.000 0.435 751 R N -0.074 120.412 120.500 -0.024 0.000 2.081 751 R HA -0.072 4.272 4.340 0.007 0.000 0.235 751 R C 2.457 178.782 176.300 0.043 0.000 1.131 751 R CA 2.041 58.148 56.100 0.012 0.000 0.960 751 R CB -0.222 30.092 30.300 0.023 0.000 0.856 751 R HN 0.264 nan 8.270 nan 0.000 0.436 752 M N 0.223 119.855 119.600 0.054 0.000 2.080 752 M HA -0.215 4.269 4.480 0.007 0.000 0.260 752 M C 2.120 178.462 176.300 0.070 0.000 1.068 752 M CA 1.725 57.058 55.300 0.056 0.000 1.109 752 M CB -0.213 32.418 32.600 0.051 0.000 1.342 752 M HN 0.193 nan 8.290 nan 0.000 0.405 753 L N -1.134 120.136 121.223 0.077 0.000 2.179 753 L HA -0.151 4.193 4.340 0.007 0.000 0.208 753 L C 1.981 178.900 176.870 0.082 0.000 1.096 753 L CA 1.154 56.045 54.840 0.084 0.000 0.779 753 L CB -0.383 41.708 42.059 0.054 0.000 0.922 753 L HN 0.415 nan 8.230 nan 0.000 0.443 754 Q N -1.203 118.636 119.800 0.066 0.000 2.353 754 Q HA 0.043 4.387 4.340 0.007 0.000 0.240 754 Q C 1.178 177.235 176.000 0.094 0.000 0.868 754 Q CA 0.217 56.076 55.803 0.093 0.000 0.944 754 Q CB 0.878 29.651 28.738 0.058 0.000 1.104 754 Q HN 0.446 nan 8.270 nan 0.000 0.531 755 E N -0.503 119.738 120.200 0.069 0.000 2.441 755 E HA 0.275 4.629 4.350 0.007 0.000 0.212 755 E C 0.466 177.103 176.600 0.061 0.000 0.840 755 E CA 0.315 56.755 56.400 0.067 0.000 1.143 755 E CB 1.612 31.346 29.700 0.058 0.000 1.153 755 E HN 0.227 nan 8.360 nan 0.000 0.539 756 G N 1.646 110.479 108.800 0.054 0.000 2.483 756 G HA2 -0.249 3.715 3.960 0.007 0.000 0.521 756 G HA3 -0.249 3.715 3.960 0.007 0.000 0.521 756 G C 0.126 175.051 174.900 0.043 0.000 1.278 756 G CA -0.067 45.059 45.100 0.043 0.000 0.965 756 G HN 0.114 nan 8.290 nan 0.000 0.504 757 E N -0.437 119.780 120.200 0.028 0.000 2.051 757 E HA -0.143 4.211 4.350 0.007 0.000 0.192 757 E C 2.134 178.762 176.600 0.048 0.000 0.991 757 E CA 1.623 58.038 56.400 0.025 0.000 0.799 757 E CB -0.092 29.606 29.700 -0.003 0.000 0.748 757 E HN 0.578 nan 8.360 nan 0.000 0.449 758 E N -0.211 120.017 120.200 0.046 0.000 2.118 758 E HA -0.196 4.158 4.350 0.007 0.000 0.195 758 E C 2.042 178.695 176.600 0.087 0.000 0.992 758 E CA 1.101 57.537 56.400 0.060 0.000 0.804 758 E CB -0.049 29.680 29.700 0.049 0.000 0.741 758 E HN 0.070 nan 8.360 nan 0.000 0.458 759 S N 0.216 115.968 115.700 0.087 0.000 2.343 759 S HA -0.130 4.344 4.470 0.007 0.000 0.219 759 S C 1.860 176.556 174.600 0.159 0.000 1.033 759 S CA 0.960 59.225 58.200 0.109 0.000 1.014 759 S CB -0.367 62.883 63.200 0.084 0.000 0.915 759 S HN 0.388 nan 8.310 nan 0.000 0.435 760 L N 1.133 122.446 121.223 0.149 0.000 2.043 760 L HA -0.215 4.129 4.340 0.007 0.000 0.212 760 L C 2.470 179.501 176.870 0.267 0.000 1.075 760 L CA 1.868 56.833 54.840 0.208 0.000 0.752 760 L CB -0.668 41.479 42.059 0.146 0.000 0.891 760 L HN 0.483 nan 8.230 nan 0.000 0.432 761 Q N -0.588 119.327 119.800 0.192 0.000 2.124 761 Q HA -0.277 4.067 4.340 0.007 0.000 0.202 761 Q C 2.026 178.178 176.000 0.253 0.000 0.977 761 Q CA 1.902 57.823 55.803 0.197 0.000 0.850 761 Q CB 0.015 28.817 28.738 0.106 0.000 0.901 761 Q HN 0.543 nan 8.270 nan 0.000 0.429 762 E N -0.319 120.013 120.200 0.220 0.000 2.028 762 E HA -0.216 4.138 4.350 0.007 0.000 0.191 762 E C 1.668 178.424 176.600 0.260 0.000 0.988 762 E CA 0.856 57.381 56.400 0.208 0.000 0.799 762 E CB -0.137 29.665 29.700 0.171 0.000 0.755 762 E HN 0.407 nan 8.360 nan 0.000 0.447 763 Y N -0.333 120.081 120.300 0.190 0.000 2.256 763 Y HA -0.276 4.278 4.550 0.007 0.000 0.288 763 Y C 1.910 177.978 175.900 0.280 0.000 1.155 763 Y CA 1.650 59.873 58.100 0.204 0.000 1.203 763 Y CB -0.100 38.472 38.460 0.187 0.000 0.980 763 Y HN 0.181 nan 8.280 nan 0.000 0.530 764 F N 0.661 120.704 119.950 0.154 0.000 2.163 764 F HA -0.082 4.449 4.527 0.007 0.000 0.297 764 F C 2.184 178.038 175.800 0.090 0.000 1.094 764 F CA 1.648 59.743 58.000 0.158 0.000 1.290 764 F CB -0.365 38.770 39.000 0.225 0.000 1.017 764 F HN -0.185 nan 8.300 nan 0.000 0.483 765 K N 0.473 120.999 120.400 0.211 0.000 2.044 765 K HA -0.209 4.115 4.320 0.007 0.000 0.210 765 K C 2.139 178.682 176.600 -0.094 0.000 1.049 765 K CA 2.050 58.377 56.287 0.067 0.000 0.927 765 K CB -0.214 32.359 32.500 0.123 0.000 0.713 765 K HN 0.256 nan 8.250 nan 0.000 0.443 766 E N -0.482 119.657 120.200 -0.101 0.000 2.046 766 E HA -0.159 4.195 4.350 0.007 0.000 0.190 766 E C 1.953 178.403 176.600 -0.250 0.000 0.982 766 E CA 0.893 57.209 56.400 -0.140 0.000 0.800 766 E CB -0.292 29.373 29.700 -0.059 0.000 0.756 766 E HN 0.300 nan 8.360 nan 0.000 0.449 767 F N 2.329 121.920 119.950 -0.597 0.000 2.250 767 F HA -0.197 4.334 4.527 0.007 0.000 0.301 767 F C 2.194 177.710 175.800 -0.473 0.000 1.077 767 F CA 1.318 58.954 58.000 -0.607 0.000 1.348 767 F CB 0.248 38.728 39.000 -0.866 0.000 1.040 767 F HN 0.014 nan 8.300 nan 0.000 0.509 768 E N 0.035 119.929 120.200 -0.510 0.000 2.047 768 E HA -0.224 4.130 4.350 0.007 0.000 0.191 768 E C 2.220 178.631 176.600 -0.315 0.000 0.987 768 E CA 0.949 57.067 56.400 -0.470 0.000 0.799 768 E CB -0.139 29.300 29.700 -0.435 0.000 0.752 768 E HN 0.401 nan 8.360 nan 0.000 0.449 769 K N 0.655 120.905 120.400 -0.249 0.000 2.020 769 K HA -0.188 4.136 4.320 0.007 0.000 0.212 769 K C 2.016 178.488 176.600 -0.213 0.000 1.050 769 K CA 1.498 57.676 56.287 -0.181 0.000 0.929 769 K CB 0.077 32.499 32.500 -0.130 0.000 0.714 769 K HN 0.046 nan 8.250 nan 0.000 0.443 770 E N 0.213 120.246 120.200 -0.277 0.000 2.118 770 E HA -0.223 4.131 4.350 0.007 0.000 0.195 770 E C 1.895 178.297 176.600 -0.329 0.000 0.992 770 E CA 0.918 57.145 56.400 -0.288 0.000 0.804 770 E CB -0.528 28.990 29.700 -0.304 0.000 0.741 770 E HN 0.282 nan 8.360 nan 0.000 0.458 771 F N 2.637 122.215 119.950 -0.619 0.000 2.043 771 F HA -0.265 4.266 4.527 0.007 0.000 0.297 771 F C 2.422 178.023 175.800 -0.331 0.000 1.118 771 F CA 1.966 59.622 58.000 -0.573 0.000 1.202 771 F CB -0.120 38.533 39.000 -0.577 0.000 0.965 771 F HN -0.110 nan 8.300 nan 0.000 0.482 772 R N -0.489 119.813 120.500 -0.330 0.000 2.159 772 R HA -0.193 4.151 4.340 0.007 0.000 0.237 772 R C 1.670 177.629 176.300 -0.569 0.000 1.131 772 R CA 1.524 57.177 56.100 -0.744 0.000 0.982 772 R CB -0.531 29.369 30.300 -0.666 0.000 0.868 772 R HN 0.396 nan 8.270 nan 0.000 0.453 773 Q N 0.179 119.775 119.800 -0.340 0.000 2.403 773 Q HA 0.184 4.528 4.340 0.007 0.000 0.203 773 Q C 0.120 176.017 176.000 -0.172 0.000 0.932 773 Q CA 0.219 55.891 55.803 -0.218 0.000 0.945 773 Q CB 0.321 28.959 28.738 -0.166 0.000 1.045 773 Q HN 0.236 nan 8.270 nan 0.000 0.511 774 L N 1.289 122.373 121.223 -0.231 0.000 2.417 774 L HA 0.124 4.468 4.340 0.007 0.000 0.268 774 L C 0.738 177.554 176.870 -0.090 0.000 1.158 774 L CA -0.545 54.185 54.840 -0.184 0.000 0.819 774 L CB 0.349 42.230 42.059 -0.296 0.000 1.112 774 L HN 0.274 nan 8.230 nan 0.000 0.458 775 N N 1.664 120.333 118.700 -0.051 0.000 2.458 775 N HA -0.120 4.624 4.740 0.007 0.000 0.258 775 N C 0.807 176.314 175.510 -0.005 0.000 1.219 775 N CA 0.131 53.184 53.050 0.005 0.000 0.902 775 N CB 0.840 39.313 38.487 -0.022 0.000 1.076 775 N HN 0.598 nan 8.380 nan 0.000 0.455 776 Y N 3.823 124.080 120.300 -0.072 0.000 2.181 776 Y HA -0.090 4.464 4.550 0.007 0.000 0.288 776 Y C 2.055 177.905 175.900 -0.082 0.000 1.146 776 Y CA 0.830 58.879 58.100 -0.085 0.000 1.164 776 Y CB -0.266 38.141 38.460 -0.089 0.000 0.982 776 Y HN 0.504 nan 8.280 nan 0.000 0.515 777 I N 1.227 121.234 120.570 -0.940 0.000 2.264 777 I HA -0.298 3.876 4.170 0.007 0.000 0.248 777 I C 2.649 178.480 176.117 -0.477 0.000 1.111 777 I CA 1.915 62.684 61.300 -0.885 0.000 1.382 777 I CB -0.422 37.106 38.000 -0.786 0.000 1.060 777 I HN 0.557 nan 8.210 nan 0.000 0.418 778 S N 0.774 116.324 115.700 -0.250 0.000 2.522 778 S HA -0.010 4.464 4.470 0.007 0.000 0.227 778 S C 1.604 176.186 174.600 -0.030 0.000 0.986 778 S CA 0.337 58.480 58.200 -0.094 0.000 0.929 778 S CB -0.474 62.699 63.200 -0.045 0.000 0.769 778 S HN 0.620 nan 8.310 nan 0.000 0.529 779 I N -1.341 119.192 120.570 -0.061 0.000 4.018 779 I HA 0.592 4.766 4.170 0.007 0.000 0.337 779 I C 0.624 176.772 176.117 0.051 0.000 1.327 779 I CA -0.744 60.568 61.300 0.020 0.000 1.100 779 I CB 0.116 38.064 38.000 -0.088 0.000 1.025 779 I HN 0.223 nan 8.210 nan 0.000 0.396 780 A N 1.101 123.909 122.820 -0.020 0.000 2.363 780 A HA 0.592 4.916 4.320 0.007 0.000 0.270 780 A C 0.520 178.159 177.584 0.091 0.000 1.121 780 A CA -0.133 51.918 52.037 0.023 0.000 0.800 780 A CB 0.499 19.436 19.000 -0.105 0.000 1.052 780 A HN 0.313 nan 8.150 nan 0.000 0.493 781 S N -0.210 115.556 115.700 0.109 0.000 2.587 781 S HA 0.411 4.885 4.470 0.007 0.000 0.260 781 S C 0.009 174.639 174.600 0.051 0.000 1.353 781 S CA -0.072 58.181 58.200 0.088 0.000 0.995 781 S CB 0.348 63.606 63.200 0.096 0.000 0.912 781 S HN 0.705 nan 8.310 nan 0.000 0.568 782 V N 1.446 121.342 119.914 -0.031 0.000 2.841 782 V HA 0.730 4.854 4.120 0.007 0.000 0.310 782 V C -0.437 175.554 176.094 -0.172 0.000 1.090 782 V CA -0.612 61.591 62.300 -0.161 0.000 0.930 782 V CB 2.049 33.745 31.823 -0.212 0.000 1.014 782 V HN 0.749 nan 8.190 nan 0.000 0.425 783 S N 1.773 117.336 115.700 -0.228 0.000 2.543 783 S HA 0.540 5.014 4.470 0.007 0.000 0.271 783 S C -0.461 173.991 174.600 -0.246 0.000 1.148 783 S CA -0.371 57.663 58.200 -0.278 0.000 0.914 783 S CB 1.961 64.903 63.200 -0.430 0.000 1.096 783 S HN 0.758 nan 8.310 nan 0.000 0.471 784 S N 2.382 117.954 115.700 -0.214 0.000 2.563 784 S HA 0.460 4.934 4.470 0.007 0.000 0.284 784 S C 0.129 174.695 174.600 -0.057 0.000 1.331 784 S CA 0.089 58.212 58.200 -0.129 0.000 1.047 784 S CB 0.673 63.816 63.200 -0.094 0.000 0.859 784 S HN 0.939 nan 8.310 nan 0.000 0.514 785 A N 4.009 126.842 122.820 0.022 0.000 2.664 785 A HA 0.509 4.833 4.320 0.007 0.000 0.338 785 A C -0.311 177.326 177.584 0.089 0.000 1.280 785 A CA -0.843 51.278 52.037 0.140 0.000 0.809 785 A CB -0.017 19.036 19.000 0.089 0.000 1.114 785 A HN 0.787 nan 8.150 nan 0.000 0.479 786 N N 0.612 119.388 118.700 0.127 0.000 2.466 786 N HA 0.424 5.168 4.740 0.007 0.000 0.294 786 N C -0.158 175.436 175.510 0.142 0.000 1.129 786 N CA -0.587 52.523 53.050 0.100 0.000 0.931 786 N CB 0.616 39.150 38.487 0.078 0.000 1.193 786 N HN 0.572 nan 8.380 nan 0.000 0.500 787 N N 0.174 118.951 118.700 0.129 0.000 2.716 787 N HA -0.215 4.529 4.740 0.007 0.000 0.250 787 N C 0.245 175.882 175.510 0.212 0.000 1.033 787 N CA 0.153 53.292 53.050 0.149 0.000 0.727 787 N CB -1.201 37.360 38.487 0.123 0.000 0.950 787 N HN 0.525 nan 8.380 nan 0.000 0.541 788 I N -0.463 120.223 120.570 0.194 0.000 2.145 788 I HA -0.394 3.780 4.170 0.007 0.000 0.244 788 I C 2.594 178.854 176.117 0.239 0.000 1.075 788 I CA 1.834 63.255 61.300 0.200 0.000 1.332 788 I CB -0.463 37.620 38.000 0.138 0.000 1.033 788 I HN 0.583 nan 8.210 nan 0.000 0.410 789 A N 0.647 123.627 122.820 0.267 0.000 1.927 789 A HA -0.330 3.994 4.320 0.007 0.000 0.220 789 A C 2.359 179.943 177.584 -0.001 0.000 1.185 789 A CA 2.352 54.457 52.037 0.113 0.000 0.639 789 A CB -0.714 18.235 19.000 -0.085 0.000 0.820 789 A HN 0.407 nan 8.150 nan 0.000 0.451 790 K N -2.023 118.340 120.400 -0.062 0.000 2.218 790 K HA -0.173 4.151 4.320 0.007 0.000 0.205 790 K C 0.482 176.824 176.600 -0.430 0.000 1.046 790 K CA 1.714 57.815 56.287 -0.310 0.000 0.933 790 K CB -0.223 31.969 32.500 -0.513 0.000 0.728 790 K HN 0.691 nan 8.250 nan 0.000 0.454 791 Y N -0.609 119.703 120.300 0.021 0.000 2.660 791 Y HA 0.211 4.765 4.550 0.007 0.000 0.254 791 Y C -0.334 175.586 175.900 0.032 0.000 1.176 791 Y CA -0.828 57.285 58.100 0.021 0.000 1.195 791 Y CB 0.743 39.206 38.460 0.005 0.000 1.190 791 Y HN -0.098 nan 8.280 nan 0.000 0.535 792 D N 1.114 121.591 120.400 0.129 0.000 2.349 792 D HA 0.323 4.967 4.640 0.007 0.000 0.232 792 D C -0.843 175.502 176.300 0.074 0.000 1.071 792 D CA -0.171 53.892 54.000 0.105 0.000 0.832 792 D CB 1.901 42.764 40.800 0.105 0.000 1.086 792 D HN -0.090 nan 8.370 nan 0.000 0.504 793 V N 3.744 123.717 119.914 0.097 0.000 2.225 793 V HA 0.416 4.540 4.120 0.007 0.000 0.264 793 V C 1.465 177.625 176.094 0.109 0.000 1.067 793 V CA -0.077 62.282 62.300 0.098 0.000 0.903 793 V CB 0.481 32.377 31.823 0.120 0.000 1.136 793 V HN 0.869 nan 8.190 nan 0.000 0.456 794 G N 2.203 111.038 108.800 0.058 0.000 2.284 794 G HA2 -0.146 3.818 3.960 0.007 0.000 0.261 794 G HA3 -0.146 3.818 3.960 0.007 0.000 0.261 794 G C 1.014 175.879 174.900 -0.059 0.000 0.997 794 G CA 0.505 45.623 45.100 0.030 0.000 0.621 794 G HN 1.890 nan 8.290 nan 0.000 0.534 795 G N -2.092 106.649 108.800 -0.097 0.000 3.254 795 G HA2 0.253 4.217 3.960 0.007 0.000 0.219 795 G HA3 0.253 4.217 3.960 0.007 0.000 0.219 795 G C 0.091 174.765 174.900 -0.376 0.000 0.964 795 G CA 0.209 45.140 45.100 -0.282 0.000 0.823 795 G HN 0.836 nan 8.290 nan 0.000 0.579 796 F N 1.310 121.285 119.950 0.042 0.000 2.497 796 F HA 0.666 5.197 4.527 0.007 0.000 0.331 796 F C -2.150 173.679 175.800 0.048 0.000 1.060 796 F CA -2.719 55.303 58.000 0.037 0.000 0.989 796 F CB 1.373 40.391 39.000 0.030 0.000 1.245 796 F HN -0.240 nan 8.300 nan 0.000 0.486 797 P HA 0.185 nan 4.420 nan 0.000 0.268 797 P C -0.073 177.327 177.300 0.166 0.000 1.204 797 P CA -0.037 63.162 63.100 0.166 0.000 0.768 797 P CB 0.488 32.259 31.700 0.119 0.000 0.842 798 G N 3.967 112.876 108.800 0.181 0.000 2.525 798 G HA2 0.450 4.414 3.960 0.007 0.000 0.287 798 G HA3 0.450 4.414 3.960 0.007 0.000 0.287 798 G C -2.410 172.593 174.900 0.172 0.000 1.350 798 G CA -1.434 43.761 45.100 0.158 0.000 1.039 798 G HN 0.340 nan 8.290 nan 0.000 0.513 799 P HA 0.048 nan 4.420 nan 0.000 0.266 799 P C 0.085 177.522 177.300 0.227 0.000 1.193 799 P CA 0.296 63.480 63.100 0.141 0.000 0.770 799 P CB 0.715 32.475 31.700 0.100 0.000 0.836 800 K N -0.923 119.577 120.400 0.166 0.000 3.495 800 K HA -0.211 4.113 4.320 0.007 0.000 0.315 800 K C 0.035 176.672 176.600 0.062 0.000 1.301 800 K CA 0.879 57.267 56.287 0.169 0.000 0.985 800 K CB -1.886 30.763 32.500 0.247 0.000 1.244 800 K HN 0.622 nan 8.250 nan 0.000 0.433 801 C N 2.136 121.446 119.300 0.018 0.000 2.437 801 C HA 0.103 4.567 4.460 0.007 0.000 0.399 801 C C -1.752 173.037 174.990 -0.336 0.000 1.478 801 C CA -1.249 57.583 59.018 -0.310 0.000 1.538 801 C CB -0.550 27.155 27.740 -0.058 0.000 2.506 801 C HN 0.283 nan 8.230 nan 0.000 0.603 802 P HA 0.080 nan 4.420 nan 0.000 0.268 802 P C 0.451 177.649 177.300 -0.170 0.000 1.205 802 P CA -0.036 62.881 63.100 -0.305 0.000 0.771 802 P CB 0.245 31.652 31.700 -0.489 0.000 0.858 803 F N 3.041 122.939 119.950 -0.087 0.000 2.161 803 F HA -0.257 4.274 4.527 0.007 0.000 0.300 803 F C 2.402 178.202 175.800 0.001 0.000 1.089 803 F CA 1.884 59.875 58.000 -0.014 0.000 1.282 803 F CB -0.339 38.690 39.000 0.048 0.000 1.010 803 F HN 0.486 nan 8.300 nan 0.000 0.485 804 H N -0.837 118.248 119.070 0.024 0.000 2.428 804 H HA -0.076 4.484 4.556 0.007 0.000 0.296 804 H C 2.199 177.463 175.328 -0.108 0.000 1.062 804 H CA 1.590 57.599 56.048 -0.065 0.000 1.350 804 H CB -0.962 28.787 29.762 -0.022 0.000 1.403 804 H HN 0.243 nan 8.280 nan 0.000 0.533 805 I N 1.433 121.622 120.570 -0.635 0.000 2.353 805 I HA -0.136 4.038 4.170 0.007 0.000 0.248 805 I C 2.838 178.823 176.117 -0.220 0.000 1.119 805 I CA 0.676 61.731 61.300 -0.408 0.000 1.417 805 I CB -0.879 36.829 38.000 -0.486 0.000 1.078 805 I HN 0.212 nan 8.210 nan 0.000 0.421 806 R N 1.272 121.630 120.500 -0.237 0.000 2.117 806 R HA -0.173 4.171 4.340 0.007 0.000 0.243 806 R C 2.337 178.538 176.300 -0.166 0.000 1.143 806 R CA 1.844 57.843 56.100 -0.169 0.000 0.968 806 R CB -0.466 29.721 30.300 -0.188 0.000 0.863 806 R HN 0.393 nan 8.270 nan 0.000 0.444 807 G N 0.694 109.352 108.800 -0.237 0.000 2.422 807 G HA2 -0.217 3.747 3.960 0.007 0.000 0.218 807 G HA3 -0.217 3.747 3.960 0.007 0.000 0.218 807 G C 1.428 176.319 174.900 -0.016 0.000 1.146 807 G CA 0.801 45.809 45.100 -0.153 0.000 0.769 807 G HN 0.285 nan 8.290 nan 0.000 0.547 808 I N 0.380 120.940 120.570 -0.017 0.000 2.202 808 I HA -0.079 4.095 4.170 0.007 0.000 0.242 808 I C 2.679 178.855 176.117 0.098 0.000 1.091 808 I CA 0.505 61.840 61.300 0.059 0.000 1.368 808 I CB -0.210 37.794 38.000 0.006 0.000 1.058 808 I HN 0.097 nan 8.210 nan 0.000 0.410 809 L N 0.237 121.479 121.223 0.032 0.000 2.051 809 L HA -0.315 4.029 4.340 0.007 0.000 0.214 809 L C 2.803 179.679 176.870 0.010 0.000 1.076 809 L CA 2.255 57.105 54.840 0.016 0.000 0.758 809 L CB -1.221 40.843 42.059 0.008 0.000 0.890 809 L HN 0.470 nan 8.230 nan 0.000 0.433 810 T N -1.953 112.625 114.554 0.040 0.000 2.732 810 T HA -0.283 4.071 4.350 0.007 0.000 0.261 810 T C 1.885 176.648 174.700 0.106 0.000 1.040 810 T CA 1.289 63.428 62.100 0.066 0.000 1.145 810 T CB -0.562 68.348 68.868 0.071 0.000 0.866 810 T HN 0.372 nan 8.240 nan 0.000 0.427 811 Y N 2.823 123.134 120.300 0.019 0.000 2.069 811 Y HA -0.266 4.288 4.550 0.007 0.000 0.278 811 Y C 2.351 178.283 175.900 0.053 0.000 1.175 811 Y CA 2.352 60.480 58.100 0.047 0.000 1.134 811 Y CB -0.849 37.651 38.460 0.067 0.000 0.965 811 Y HN 0.245 nan 8.280 nan 0.000 0.498 812 N N 0.347 119.104 118.700 0.094 0.000 2.036 812 N HA -0.208 4.536 4.740 0.007 0.000 0.195 812 N C 2.017 177.466 175.510 -0.102 0.000 1.037 812 N CA 1.810 54.854 53.050 -0.010 0.000 0.855 812 N CB -0.552 37.967 38.487 0.054 0.000 1.033 812 N HN 0.373 nan 8.380 nan 0.000 0.423 813 R N 0.339 120.786 120.500 -0.088 0.000 2.096 813 R HA -0.064 4.280 4.340 0.007 0.000 0.240 813 R C 2.017 178.260 176.300 -0.094 0.000 1.139 813 R CA 1.637 57.667 56.100 -0.116 0.000 0.952 813 R CB -0.355 29.861 30.300 -0.140 0.000 0.854 813 R HN 0.249 nan 8.270 nan 0.000 0.436 814 A N 0.519 123.297 122.820 -0.069 0.000 2.067 814 A HA -0.089 4.235 4.320 0.007 0.000 0.219 814 A C 1.669 179.176 177.584 -0.127 0.000 1.158 814 A CA 1.196 53.209 52.037 -0.040 0.000 0.661 814 A CB -0.311 18.801 19.000 0.186 0.000 0.801 814 A HN 0.459 nan 8.150 nan 0.000 0.452 815 I N -3.727 116.707 120.570 -0.226 0.000 3.927 815 I HA 0.365 4.539 4.170 0.007 0.000 0.332 815 I C 0.267 176.314 176.117 -0.117 0.000 1.485 815 I CA -0.618 60.565 61.300 -0.195 0.000 1.131 815 I CB -0.102 37.719 38.000 -0.299 0.000 1.092 815 I HN -0.114 nan 8.210 nan 0.000 0.410 816 K N 2.193 122.535 120.400 -0.098 0.000 2.419 816 K HA 0.412 4.736 4.320 0.007 0.000 0.282 816 K C 1.260 177.833 176.600 -0.045 0.000 1.056 816 K CA 1.367 57.616 56.287 -0.063 0.000 1.035 816 K CB -0.019 32.443 32.500 -0.063 0.000 0.921 816 K HN 0.568 nan 8.250 nan 0.000 0.472 817 G N 3.384 112.168 108.800 -0.027 0.000 2.659 817 G HA2 -0.282 3.682 3.960 0.007 0.000 0.202 817 G HA3 -0.282 3.682 3.960 0.007 0.000 0.202 817 G C -0.078 174.815 174.900 -0.011 0.000 1.186 817 G CA -0.129 44.961 45.100 -0.017 0.000 0.783 817 G HN 0.645 nan 8.290 nan 0.000 0.521 818 N N 1.863 120.551 118.700 -0.019 0.000 2.402 818 N HA 0.501 5.245 4.740 0.007 0.000 0.252 818 N C 1.728 177.238 175.510 -0.001 0.000 1.118 818 N CA 0.009 53.052 53.050 -0.011 0.000 0.945 818 N CB 0.226 38.703 38.487 -0.017 0.000 1.147 818 N HN 0.425 nan 8.380 nan 0.000 0.495 819 I N 1.225 121.800 120.570 0.007 0.000 2.500 819 I HA -0.067 4.107 4.170 0.007 0.000 0.252 819 I C 1.334 177.463 176.117 0.021 0.000 1.142 819 I CA 0.612 61.924 61.300 0.019 0.000 1.451 819 I CB -0.389 37.623 38.000 0.020 0.000 1.093 819 I HN 0.563 nan 8.210 nan 0.000 0.430 820 D N 2.133 122.538 120.400 0.008 0.000 2.379 820 D HA 0.026 4.670 4.640 0.007 0.000 0.243 820 D C 0.656 176.981 176.300 0.042 0.000 1.088 820 D CA 0.102 54.107 54.000 0.009 0.000 0.925 820 D CB 0.155 40.951 40.800 -0.007 0.000 0.888 820 D HN 0.357 nan 8.370 nan 0.000 0.529 821 A N 0.616 123.470 122.820 0.057 0.000 2.305 821 A HA 0.558 4.882 4.320 0.007 0.000 0.322 821 A C -2.384 175.289 177.584 0.148 0.000 1.187 821 A CA -1.539 50.559 52.037 0.102 0.000 0.825 821 A CB 0.686 19.726 19.000 0.068 0.000 1.164 821 A HN 0.149 nan 8.150 nan 0.000 0.498 822 P HA 0.148 nan 4.420 nan 0.000 0.268 822 P C -0.385 177.065 177.300 0.250 0.000 1.205 822 P CA 0.024 63.250 63.100 0.210 0.000 0.771 822 P CB 0.511 32.338 31.700 0.212 0.000 0.858 823 Q N 0.598 120.506 119.800 0.179 0.000 2.180 823 Q HA 0.381 4.725 4.340 0.007 0.000 0.241 823 Q C -0.529 175.506 176.000 0.057 0.000 0.970 823 Q CA -0.981 54.915 55.803 0.155 0.000 0.919 823 Q CB 1.088 29.873 28.738 0.079 0.000 1.222 823 Q HN 0.163 nan 8.270 nan 0.000 0.482 824 V N 1.861 121.786 119.914 0.019 0.000 2.385 824 V HA 0.105 4.229 4.120 0.007 0.000 0.269 824 V C -0.042 175.975 176.094 -0.128 0.000 1.043 824 V CA -0.369 61.885 62.300 -0.077 0.000 0.906 824 V CB 1.118 32.896 31.823 -0.076 0.000 0.995 824 V HN 0.432 nan 8.190 nan 0.000 0.467 825 V N 5.026 124.844 119.914 -0.160 0.000 2.488 825 V HA 0.181 4.305 4.120 0.007 0.000 0.277 825 V C 0.455 176.455 176.094 -0.156 0.000 1.046 825 V CA -0.538 61.643 62.300 -0.198 0.000 0.986 825 V CB 1.196 32.867 31.823 -0.254 0.000 0.989 825 V HN 1.032 nan 8.190 nan 0.000 0.475 826 E N 4.295 124.404 120.200 -0.152 0.000 2.384 826 E HA 0.417 4.771 4.350 0.007 0.000 0.266 826 E C 1.149 177.712 176.600 -0.061 0.000 1.012 826 E CA 0.718 57.068 56.400 -0.084 0.000 0.901 826 E CB 0.654 30.326 29.700 -0.047 0.000 0.967 826 E HN 0.992 nan 8.360 nan 0.000 0.435 827 G N 2.835 111.614 108.800 -0.036 0.000 2.199 827 G HA2 -0.333 3.631 3.960 0.007 0.000 0.254 827 G HA3 -0.333 3.631 3.960 0.007 0.000 0.254 827 G C 0.227 175.084 174.900 -0.071 0.000 0.982 827 G CA 0.349 45.422 45.100 -0.045 0.000 0.632 827 G HN 0.625 nan 8.290 nan 0.000 0.529 828 E N 0.358 120.505 120.200 -0.088 0.000 2.250 828 E HA 0.658 5.012 4.350 0.007 0.000 0.269 828 E C 0.391 176.917 176.600 -0.124 0.000 1.018 828 E CA -0.678 55.658 56.400 -0.106 0.000 0.873 828 E CB 0.672 30.296 29.700 -0.128 0.000 1.134 828 E HN 0.256 nan 8.360 nan 0.000 0.403 829 K N 0.625 120.931 120.400 -0.155 0.000 2.237 829 K HA 0.324 4.648 4.320 0.007 0.000 0.270 829 K C -0.874 175.529 176.600 -0.328 0.000 1.015 829 K CA -0.429 55.721 56.287 -0.227 0.000 0.949 829 K CB 0.928 33.274 32.500 -0.257 0.000 0.976 829 K HN 0.303 nan 8.250 nan 0.000 0.472 830 V N -0.597 119.099 119.914 -0.362 0.000 3.040 830 V HA 0.448 4.572 4.120 0.007 0.000 0.312 830 V C -1.150 174.577 176.094 -0.613 0.000 1.115 830 V CA -1.209 60.814 62.300 -0.461 0.000 0.998 830 V CB 1.039 32.694 31.823 -0.280 0.000 1.042 830 V HN 0.491 nan 8.190 nan 0.000 0.433 831 Y N 1.195 120.999 120.300 -0.827 0.000 2.304 831 Y HA 0.682 5.236 4.550 0.007 0.000 0.328 831 Y C 0.320 175.768 175.900 -0.753 0.000 1.123 831 Y CA -0.639 56.830 58.100 -1.052 0.000 1.218 831 Y CB 1.648 38.829 38.460 -2.131 0.000 1.207 831 Y HN 0.531 nan 8.280 nan 0.000 0.495 832 V N 5.639 125.459 119.914 -0.156 0.000 2.588 832 V HA 0.516 4.640 4.120 0.007 0.000 0.304 832 V C -0.512 175.685 176.094 0.171 0.000 1.042 832 V CA -1.013 61.311 62.300 0.039 0.000 0.877 832 V CB 1.913 33.787 31.823 0.086 0.000 0.996 832 V HN 0.556 nan 8.190 nan 0.000 0.425 833 L N 6.288 127.656 121.223 0.241 0.000 2.401 833 L HA 0.606 4.950 4.340 0.007 0.000 0.266 833 L C -2.603 174.359 176.870 0.154 0.000 0.991 833 L CA -1.763 53.207 54.840 0.217 0.000 0.818 833 L CB 3.552 45.764 42.059 0.255 0.000 1.321 833 L HN 0.426 nan 8.230 nan 0.000 0.413 834 P HA 0.272 nan 4.420 nan 0.000 0.284 834 P C -1.242 176.133 177.300 0.124 0.000 1.253 834 P CA -0.471 62.746 63.100 0.196 0.000 0.800 834 P CB 1.583 33.429 31.700 0.243 0.000 0.961 835 L N 3.362 124.659 121.223 0.123 0.000 2.334 835 L HA 0.457 4.801 4.340 0.007 0.000 0.273 835 L C 1.108 178.083 176.870 0.176 0.000 1.013 835 L CA -0.810 54.114 54.840 0.139 0.000 0.816 835 L CB 0.976 43.090 42.059 0.091 0.000 1.278 835 L HN 0.328 nan 8.230 nan 0.000 0.431 836 R N 0.854 121.508 120.500 0.258 0.000 2.615 836 R HA 0.170 4.514 4.340 0.007 0.000 0.270 836 R C -0.133 176.302 176.300 0.225 0.000 1.081 836 R CA -0.670 55.588 56.100 0.264 0.000 1.154 836 R CB 0.505 31.009 30.300 0.340 0.000 1.063 836 R HN 0.559 nan 8.270 nan 0.000 0.519 837 E N 0.275 120.582 120.200 0.178 0.000 2.652 837 E HA -0.102 4.252 4.350 0.007 0.000 0.255 837 E C 0.508 177.183 176.600 0.124 0.000 0.952 837 E CA 1.173 57.648 56.400 0.125 0.000 0.947 837 E CB 0.197 29.963 29.700 0.110 0.000 0.912 837 E HN 0.807 nan 8.360 nan 0.000 0.489 838 G N 3.449 112.247 108.800 -0.003 0.000 2.141 838 G HA2 -0.333 3.632 3.960 0.007 0.000 0.242 838 G HA3 -0.333 3.632 3.960 0.007 0.000 0.242 838 G C -0.005 174.606 174.900 -0.482 0.000 0.982 838 G CA 0.296 45.336 45.100 -0.101 0.000 0.662 838 G HN 0.800 nan 8.290 nan 0.000 0.527 839 N N 0.402 118.658 118.700 -0.739 0.000 2.344 839 N HA 0.404 5.148 4.740 0.007 0.000 0.236 839 N C -0.824 174.199 175.510 -0.812 0.000 1.279 839 N CA -0.633 51.559 53.050 -1.430 0.000 0.882 839 N CB 0.572 38.617 38.487 -0.738 0.000 1.110 839 N HN 0.142 nan 8.380 nan 0.000 0.436 840 P HA 0.052 nan 4.420 nan 0.000 0.249 840 P C -0.162 176.851 177.300 -0.479 0.000 1.229 840 P CA 0.538 63.331 63.100 -0.511 0.000 0.788 840 P CB -0.070 31.346 31.700 -0.474 0.000 1.072 841 F N 0.196 119.991 119.950 -0.258 0.000 2.776 841 F HA 0.309 4.841 4.527 0.007 0.000 0.300 841 F C 2.007 177.761 175.800 -0.076 0.000 1.116 841 F CA 0.920 58.840 58.000 -0.133 0.000 1.375 841 F CB -0.599 38.339 39.000 -0.103 0.000 1.109 841 F HN 0.055 nan 8.300 nan 0.000 0.585 842 G N 0.256 109.077 108.800 0.035 0.000 2.175 842 G HA2 -0.273 3.691 3.960 0.007 0.000 0.265 842 G HA3 -0.273 3.691 3.960 0.007 0.000 0.265 842 G C -0.056 174.894 174.900 0.084 0.000 0.979 842 G CA 0.595 45.724 45.100 0.049 0.000 0.663 842 G HN 0.362 nan 8.290 nan 0.000 0.533 843 D N -1.428 119.023 120.400 0.085 0.000 2.592 843 D HA 0.401 5.045 4.640 0.007 0.000 0.263 843 D C 1.217 177.545 176.300 0.047 0.000 1.132 843 D CA -0.148 53.894 54.000 0.070 0.000 0.996 843 D CB 0.832 41.674 40.800 0.070 0.000 1.442 843 D HN 0.138 nan 8.370 nan 0.000 0.486 844 K N -0.859 119.566 120.400 0.042 0.000 2.404 844 K HA 0.223 4.547 4.320 0.007 0.000 0.194 844 K C 0.264 176.896 176.600 0.052 0.000 1.023 844 K CA -0.085 56.250 56.287 0.081 0.000 1.094 844 K CB -0.307 32.284 32.500 0.151 0.000 0.841 844 K HN 0.430 nan 8.250 nan 0.000 0.523 845 C N -1.399 117.853 119.300 -0.079 0.000 3.312 845 C HA 0.743 5.207 4.460 0.007 0.000 0.332 845 C C -1.375 173.526 174.990 -0.148 0.000 1.340 845 C CA -1.341 57.581 59.018 -0.160 0.000 1.265 845 C CB 0.627 28.025 27.740 -0.569 0.000 1.563 845 C HN 0.390 nan 8.230 nan 0.000 0.471 846 I N 1.343 121.865 120.570 -0.080 0.000 2.769 846 I HA 0.820 4.994 4.170 0.007 0.000 0.298 846 I C -0.292 175.901 176.117 0.126 0.000 1.128 846 I CA -0.313 60.981 61.300 -0.011 0.000 1.031 846 I CB 2.095 40.026 38.000 -0.115 0.000 1.235 846 I HN 1.377 nan 8.210 nan 0.000 0.423 847 A N 5.506 128.415 122.820 0.148 0.000 2.449 847 A HA 0.811 5.135 4.320 0.007 0.000 0.302 847 A C -1.821 175.808 177.584 0.074 0.000 1.048 847 A CA -0.470 51.640 52.037 0.120 0.000 0.708 847 A CB 0.887 19.868 19.000 -0.032 0.000 1.274 847 A HN 0.859 nan 8.150 nan 0.000 0.410 848 W N 0.854 122.001 121.300 -0.256 0.000 3.032 848 W HA 0.759 5.423 4.660 0.007 0.000 0.341 848 W C -3.275 173.085 176.519 -0.266 0.000 1.202 848 W CA -2.900 54.139 57.345 -0.510 0.000 1.132 848 W CB 0.423 29.636 29.460 -0.412 0.000 1.465 848 W HN 0.393 nan 8.180 nan 0.000 0.576 849 P HA 0.033 nan 4.420 nan 0.000 0.262 849 P C 0.214 177.294 177.300 -0.367 0.000 1.199 849 P CA 0.356 63.314 63.100 -0.238 0.000 0.763 849 P CB 0.816 32.476 31.700 -0.068 0.000 0.790 850 S N 2.897 118.233 115.700 -0.606 0.000 2.573 850 S HA 0.347 4.821 4.470 0.007 0.000 0.277 850 S C 1.382 175.644 174.600 -0.565 0.000 1.346 850 S CA 0.357 57.926 58.200 -1.051 0.000 1.034 850 S CB -0.308 62.234 63.200 -1.097 0.000 0.879 850 S HN 0.928 nan 8.310 nan 0.000 0.528 851 G N 0.855 109.393 108.800 -0.437 0.000 2.162 851 G HA2 -0.198 3.766 3.960 0.007 0.000 0.260 851 G HA3 -0.198 3.766 3.960 0.007 0.000 0.260 851 G C 0.270 175.294 174.900 0.208 0.000 0.976 851 G CA 0.814 45.946 45.100 0.052 0.000 0.655 851 G HN 1.976 nan 8.290 nan 0.000 0.533 852 T N -2.462 112.267 114.554 0.292 0.000 2.896 852 T HA 0.660 5.014 4.350 0.007 0.000 0.297 852 T C -0.477 174.530 174.700 0.510 0.000 1.108 852 T CA -0.483 61.804 62.100 0.312 0.000 1.004 852 T CB 2.397 71.411 68.868 0.242 0.000 1.159 852 T HN 0.240 nan 8.240 nan 0.000 0.499 853 E N 2.010 122.428 120.200 0.364 0.000 2.331 853 E HA 0.324 4.678 4.350 0.007 0.000 0.272 853 E C 0.466 177.206 176.600 0.234 0.000 1.036 853 E CA -0.638 55.975 56.400 0.355 0.000 0.864 853 E CB 1.158 31.003 29.700 0.243 0.000 1.035 853 E HN 0.655 nan 8.360 nan 0.000 0.408 854 I N 0.467 120.966 120.570 -0.118 0.000 2.813 854 I HA -0.027 4.147 4.170 0.007 0.000 0.287 854 I C 0.720 176.831 176.117 -0.009 0.000 1.196 854 I CA -0.387 60.771 61.300 -0.237 0.000 1.421 854 I CB -0.470 37.171 38.000 -0.598 0.000 1.365 854 I HN 0.359 nan 8.210 nan 0.000 0.591 855 T N 2.084 116.696 114.554 0.097 0.000 2.946 855 T HA -0.034 4.320 4.350 0.007 0.000 0.312 855 T C 0.851 175.570 174.700 0.033 0.000 1.066 855 T CA -0.460 61.694 62.100 0.090 0.000 1.138 855 T CB 0.457 69.390 68.868 0.110 0.000 1.014 855 T HN 0.546 nan 8.240 nan 0.000 0.544 856 D N 1.061 121.481 120.400 0.033 0.000 2.271 856 D HA -0.102 4.542 4.640 0.007 0.000 0.207 856 D C 2.022 178.326 176.300 0.007 0.000 0.983 856 D CA 0.763 54.769 54.000 0.010 0.000 0.878 856 D CB -0.209 40.602 40.800 0.019 0.000 0.920 856 D HN 0.536 nan 8.370 nan 0.000 0.479 857 L N 0.317 121.551 121.223 0.018 0.000 2.129 857 L HA -0.156 4.188 4.340 0.007 0.000 0.212 857 L C 2.271 179.160 176.870 0.032 0.000 1.087 857 L CA 1.107 55.955 54.840 0.015 0.000 0.757 857 L CB -0.285 41.779 42.059 0.008 0.000 0.896 857 L HN 0.197 nan 8.230 nan 0.000 0.434 858 I N -6.368 114.234 120.570 0.053 0.000 4.655 858 I HA 0.090 4.264 4.170 0.007 0.000 0.333 858 I C 2.030 178.189 176.117 0.070 0.000 1.312 858 I CA -0.117 61.268 61.300 0.142 0.000 1.270 858 I CB 0.016 38.190 38.000 0.289 0.000 1.318 858 I HN -0.118 nan 8.210 nan 0.000 0.456 859 K N 2.155 122.520 120.400 -0.058 0.000 2.059 859 K HA -0.243 4.081 4.320 0.007 0.000 0.212 859 K C 1.481 177.986 176.600 -0.159 0.000 1.050 859 K CA 2.745 58.910 56.287 -0.203 0.000 0.927 859 K CB -0.092 32.275 32.500 -0.222 0.000 0.714 859 K HN 0.339 nan 8.250 nan 0.000 0.447 860 D N 0.892 121.256 120.400 -0.059 0.000 2.092 860 D HA -0.172 4.472 4.640 0.007 0.000 0.193 860 D C 1.540 177.887 176.300 0.077 0.000 0.994 860 D CA 1.426 55.414 54.000 -0.020 0.000 0.828 860 D CB -0.385 40.408 40.800 -0.011 0.000 0.963 860 D HN 0.351 nan 8.370 nan 0.000 0.450 861 D N 0.109 120.619 120.400 0.183 0.000 2.219 861 D HA -0.071 4.573 4.640 0.007 0.000 0.205 861 D C 2.196 178.816 176.300 0.533 0.000 0.970 861 D CA 0.334 54.581 54.000 0.412 0.000 0.851 861 D CB 0.335 41.373 40.800 0.397 0.000 0.943 861 D HN 0.094 nan 8.370 nan 0.000 0.488 862 V N 1.596 121.665 119.914 0.260 0.000 2.323 862 V HA -0.198 3.927 4.120 0.007 0.000 0.244 862 V C 2.654 178.747 176.094 -0.002 0.000 1.041 862 V CA 1.029 63.344 62.300 0.024 0.000 1.025 862 V CB -0.460 31.204 31.823 -0.265 0.000 0.656 862 V HN 0.168 nan 8.190 nan 0.000 0.451 863 L N -0.354 120.817 121.223 -0.086 0.000 2.187 863 L HA -0.221 4.123 4.340 0.007 0.000 0.213 863 L C 2.520 179.426 176.870 0.060 0.000 1.100 863 L CA 1.804 56.603 54.840 -0.068 0.000 0.765 863 L CB -0.782 41.202 42.059 -0.125 0.000 0.904 863 L HN 0.450 nan 8.230 nan 0.000 0.437 864 H N -1.583 117.476 119.070 -0.018 0.000 2.512 864 H HA -0.094 4.466 4.556 0.007 0.000 0.279 864 H C 1.429 176.608 175.328 -0.249 0.000 0.999 864 H CA 1.081 57.043 56.048 -0.143 0.000 1.283 864 H CB 0.103 29.732 29.762 -0.223 0.000 1.421 864 H HN 0.284 nan 8.280 nan 0.000 0.554 865 W N -0.390 120.906 121.300 -0.006 0.000 3.103 865 W HA 0.262 4.926 4.660 0.007 0.000 0.325 865 W C 0.179 176.679 176.519 -0.032 0.000 1.170 865 W CA -0.502 56.825 57.345 -0.031 0.000 1.712 865 W CB 0.260 29.782 29.460 0.103 0.000 1.068 865 W HN -0.077 nan 8.180 nan 0.000 0.592 866 M N 1.937 121.592 119.600 0.092 0.000 2.243 866 M HA -0.130 4.354 4.480 0.007 0.000 0.365 866 M C 0.300 176.584 176.300 -0.026 0.000 1.327 866 M CA 1.038 56.307 55.300 -0.051 0.000 0.918 866 M CB 0.195 32.622 32.600 -0.289 0.000 1.894 866 M HN -0.169 nan 8.290 nan 0.000 0.473 867 D N 3.571 123.980 120.400 0.015 0.000 2.494 867 D HA 0.049 4.693 4.640 0.007 0.000 0.217 867 D C 0.275 176.628 176.300 0.090 0.000 1.153 867 D CA 0.058 54.112 54.000 0.090 0.000 0.954 867 D CB 0.285 41.164 40.800 0.130 0.000 1.034 867 D HN 0.490 nan 8.370 nan 0.000 0.518 868 Y N 1.398 121.785 120.300 0.145 0.000 2.165 868 Y HA -0.234 4.320 4.550 0.007 0.000 0.286 868 Y C 2.578 178.615 175.900 0.228 0.000 1.155 868 Y CA 1.319 59.567 58.100 0.247 0.000 1.164 868 Y CB -0.307 38.271 38.460 0.196 0.000 0.978 868 Y HN 0.306 nan 8.280 nan 0.000 0.513 869 T N -0.651 114.070 114.554 0.277 0.000 2.652 869 T HA -0.193 4.161 4.350 0.007 0.000 0.267 869 T C 2.136 176.905 174.700 0.115 0.000 1.039 869 T CA 1.760 63.952 62.100 0.153 0.000 1.153 869 T CB -0.762 68.178 68.868 0.119 0.000 0.863 869 T HN 0.091 nan 8.240 nan 0.000 0.428 870 V N 1.235 121.222 119.914 0.123 0.000 2.343 870 V HA -0.098 4.026 4.120 0.007 0.000 0.247 870 V C 2.379 178.536 176.094 0.104 0.000 1.051 870 V CA 1.348 63.707 62.300 0.099 0.000 1.036 870 V CB -0.540 31.348 31.823 0.109 0.000 0.654 870 V HN 0.328 nan 8.190 nan 0.000 0.451 871 L N -0.550 120.762 121.223 0.148 0.000 2.056 871 L HA -0.094 4.250 4.340 0.007 0.000 0.207 871 L C 2.157 179.129 176.870 0.170 0.000 1.078 871 L CA 1.738 56.690 54.840 0.187 0.000 0.749 871 L CB -0.522 41.673 42.059 0.226 0.000 0.901 871 L HN 0.287 nan 8.230 nan 0.000 0.433 872 L N -0.552 120.711 121.223 0.066 0.000 2.046 872 L HA -0.192 4.152 4.340 0.007 0.000 0.208 872 L C 2.451 179.294 176.870 -0.044 0.000 1.077 872 L CA 1.825 56.499 54.840 -0.276 0.000 0.747 872 L CB -0.753 40.966 42.059 -0.567 0.000 0.896 872 L HN 0.345 nan 8.230 nan 0.000 0.432 873 E N -0.528 119.678 120.200 0.010 0.000 2.072 873 E HA -0.243 4.111 4.350 0.007 0.000 0.191 873 E C 2.203 178.811 176.600 0.014 0.000 0.985 873 E CA 1.004 57.418 56.400 0.023 0.000 0.801 873 E CB 0.116 29.833 29.700 0.029 0.000 0.750 873 E HN 0.343 nan 8.360 nan 0.000 0.452 874 K N -0.191 120.224 120.400 0.025 0.000 2.026 874 K HA -0.097 4.227 4.320 0.007 0.000 0.208 874 K C 2.118 178.732 176.600 0.023 0.000 1.048 874 K CA 1.972 58.263 56.287 0.007 0.000 0.929 874 K CB -0.174 32.329 32.500 0.005 0.000 0.713 874 K HN 0.191 nan 8.250 nan 0.000 0.439 875 T N -3.038 111.566 114.554 0.082 0.000 3.015 875 T HA 0.084 4.438 4.350 0.007 0.000 0.250 875 T C 1.545 176.344 174.700 0.164 0.000 1.057 875 T CA 0.053 62.224 62.100 0.119 0.000 1.066 875 T CB -0.093 68.881 68.868 0.176 0.000 0.959 875 T HN 0.110 nan 8.240 nan 0.000 0.488 876 F N 0.934 120.863 119.950 -0.035 0.000 2.532 876 F HA 0.502 5.033 4.527 0.007 0.000 0.278 876 F C 1.636 177.355 175.800 -0.135 0.000 0.975 876 F CA -0.580 57.380 58.000 -0.067 0.000 1.292 876 F CB 0.021 39.002 39.000 -0.033 0.000 1.112 876 F HN -0.024 nan 8.300 nan 0.000 0.703 877 I N 0.325 120.808 120.570 -0.145 0.000 2.193 877 I HA -0.203 3.971 4.170 0.007 0.000 0.240 877 I C 2.454 178.383 176.117 -0.314 0.000 1.084 877 I CA 0.893 62.015 61.300 -0.296 0.000 1.365 877 I CB -0.535 37.437 38.000 -0.047 0.000 1.064 877 I HN -0.030 nan 8.210 nan 0.000 0.410 878 K N 0.983 121.274 120.400 -0.181 0.000 2.020 878 K HA -0.186 4.138 4.320 0.007 0.000 0.212 878 K C -0.199 176.237 176.600 -0.273 0.000 1.050 878 K CA 2.152 58.338 56.287 -0.168 0.000 0.929 878 K CB -1.515 30.926 32.500 -0.099 0.000 0.714 878 K HN 0.198 nan 8.250 nan 0.000 0.443 879 P HA -0.128 nan 4.420 nan 0.000 0.215 879 P C 1.728 178.388 177.300 -1.067 0.000 1.157 879 P CA 0.840 63.611 63.100 -0.547 0.000 0.863 879 P CB -0.003 31.457 31.700 -0.401 0.000 0.787 880 L N -0.031 120.596 121.223 -0.992 0.000 2.013 880 L HA -0.227 4.117 4.340 0.007 0.000 0.212 880 L C 2.418 178.942 176.870 -0.577 0.000 1.073 880 L CA 1.902 56.167 54.840 -0.958 0.000 0.753 880 L CB -0.743 40.724 42.059 -0.986 0.000 0.890 880 L HN 0.082 nan 8.230 nan 0.000 0.432 881 E N -0.252 119.724 120.200 -0.373 0.000 2.204 881 E HA -0.178 4.176 4.350 0.007 0.000 0.195 881 E C 1.856 178.376 176.600 -0.134 0.000 0.990 881 E CA 1.134 57.481 56.400 -0.089 0.000 0.821 881 E CB 0.039 29.729 29.700 -0.017 0.000 0.750 881 E HN 0.603 nan 8.360 nan 0.000 0.477 882 G N 0.447 109.106 108.800 -0.235 0.000 2.424 882 G HA2 -0.220 3.744 3.960 0.007 0.000 0.214 882 G HA3 -0.220 3.744 3.960 0.007 0.000 0.214 882 G C 1.281 176.198 174.900 0.029 0.000 1.202 882 G CA 0.605 45.642 45.100 -0.106 0.000 0.793 882 G HN 0.181 nan 8.290 nan 0.000 0.534 883 F N 2.222 122.117 119.950 -0.090 0.000 2.069 883 F HA -0.116 4.415 4.527 0.007 0.000 0.298 883 F C 3.169 178.690 175.800 -0.464 0.000 1.113 883 F CA 1.470 59.300 58.000 -0.282 0.000 1.214 883 F CB -1.629 37.210 39.000 -0.269 0.000 0.978 883 F HN 0.276 nan 8.300 nan 0.000 0.474 884 T N -3.118 111.369 114.554 -0.111 0.000 2.812 884 T HA -0.135 4.219 4.350 0.007 0.000 0.264 884 T C 2.222 176.842 174.700 -0.134 0.000 1.042 884 T CA 1.328 63.348 62.100 -0.134 0.000 1.140 884 T CB -0.998 67.861 68.868 -0.015 0.000 0.870 884 T HN 0.154 nan 8.240 nan 0.000 0.445 885 S N 1.722 117.365 115.700 -0.095 0.000 2.378 885 S HA -0.161 4.313 4.470 0.007 0.000 0.229 885 S C 2.516 177.071 174.600 -0.075 0.000 1.052 885 S CA 1.656 59.805 58.200 -0.085 0.000 1.084 885 S CB -0.994 62.172 63.200 -0.057 0.000 0.950 885 S HN 0.779 nan 8.310 nan 0.000 0.440 886 A N 0.607 123.401 122.820 -0.042 0.000 1.930 886 A HA 0.217 4.541 4.320 0.007 0.000 0.217 886 A C 2.185 179.749 177.584 -0.033 0.000 1.175 886 A CA 1.669 53.717 52.037 0.018 0.000 0.627 886 A CB -0.843 18.252 19.000 0.159 0.000 0.815 886 A HN 0.600 nan 8.150 nan 0.000 0.443 887 A N -1.384 121.326 122.820 -0.183 0.000 2.206 887 A HA 0.254 4.578 4.320 0.007 0.000 0.211 887 A C 0.938 178.442 177.584 -0.134 0.000 1.158 887 A CA 0.801 52.715 52.037 -0.205 0.000 0.761 887 A CB -0.443 18.280 19.000 -0.461 0.000 0.801 887 A HN 0.473 nan 8.150 nan 0.000 0.473 888 K N -1.302 119.022 120.400 -0.127 0.000 3.393 888 K HA -0.121 4.203 4.320 0.007 0.000 0.272 888 K C -1.138 175.393 176.600 -0.116 0.000 1.004 888 K CA 0.619 56.834 56.287 -0.121 0.000 0.764 888 K CB -1.571 30.862 32.500 -0.111 0.000 1.373 888 K HN 0.495 nan 8.250 nan 0.000 0.458 889 L N 0.901 122.048 121.223 -0.127 0.000 2.526 889 L HA 0.310 4.654 4.340 0.007 0.000 0.263 889 L C -0.931 175.857 176.870 -0.137 0.000 0.943 889 L CA -0.942 53.830 54.840 -0.113 0.000 0.859 889 L CB 2.111 44.109 42.059 -0.102 0.000 1.313 889 L HN 0.096 nan 8.230 nan 0.000 0.406 890 D N 1.176 121.483 120.400 -0.155 0.000 2.232 890 D HA 0.211 4.855 4.640 0.007 0.000 0.242 890 D C 0.385 176.544 176.300 -0.235 0.000 1.093 890 D CA -0.168 53.676 54.000 -0.260 0.000 0.845 890 D CB 1.019 41.662 40.800 -0.261 0.000 1.124 890 D HN 0.426 nan 8.370 nan 0.000 0.467 891 Y N 0.221 120.374 120.300 -0.244 0.000 2.519 891 Y HA 0.273 4.827 4.550 0.007 0.000 0.287 891 Y C 0.506 176.170 175.900 -0.393 0.000 1.128 891 Y CA 0.099 58.007 58.100 -0.321 0.000 1.282 891 Y CB 0.151 38.321 38.460 -0.484 0.000 1.027 891 Y HN 0.183 nan 8.280 nan 0.000 0.551 892 E N 0.695 120.528 120.200 -0.611 0.000 2.469 892 E HA 0.383 4.737 4.350 0.007 0.000 0.246 892 E C -0.578 175.896 176.600 -0.209 0.000 0.969 892 E CA -1.175 55.045 56.400 -0.299 0.000 0.881 892 E CB 1.231 30.747 29.700 -0.306 0.000 1.320 892 E HN -0.032 nan 8.360 nan 0.000 0.421 893 K N 0.773 121.105 120.400 -0.112 0.000 2.211 893 K HA 0.452 4.776 4.320 0.007 0.000 0.237 893 K C -0.401 176.148 176.600 -0.084 0.000 1.002 893 K CA -0.675 55.561 56.287 -0.084 0.000 0.885 893 K CB 1.197 33.678 32.500 -0.032 0.000 1.136 893 K HN 0.228 nan 8.250 nan 0.000 0.448 894 K N -0.298 120.062 120.400 -0.066 0.000 2.395 894 K HA 0.443 4.767 4.320 0.007 0.000 0.245 894 K C -0.618 175.968 176.600 -0.024 0.000 1.017 894 K CA -0.815 55.439 56.287 -0.055 0.000 0.852 894 K CB 1.832 34.289 32.500 -0.072 0.000 1.311 894 K HN 0.616 nan 8.250 nan 0.000 0.452 895 A N 0.784 123.601 122.820 -0.005 0.000 3.105 895 A HA 0.271 4.595 4.320 0.007 0.000 0.272 895 A C -0.105 177.494 177.584 0.026 0.000 1.466 895 A CA 0.089 52.135 52.037 0.016 0.000 1.101 895 A CB -0.575 18.443 19.000 0.031 0.000 1.065 895 A HN 0.594 nan 8.150 nan 0.000 0.643 896 S N -0.873 114.820 115.700 -0.012 0.000 3.098 896 S HA -0.126 4.348 4.470 0.007 0.000 0.854 896 S C -0.208 174.335 174.600 -0.095 0.000 1.004 896 S CA -0.229 57.939 58.200 -0.053 0.000 1.292 896 S CB -0.671 62.504 63.200 -0.042 0.000 0.932 896 S HN 0.718 nan 8.310 nan 0.000 0.283 897 L N 6.171 127.293 121.223 -0.170 0.000 2.433 897 L HA 0.246 4.590 4.340 0.007 0.000 0.284 897 L C 0.367 177.089 176.870 -0.245 0.000 1.120 897 L CA 0.389 55.141 54.840 -0.145 0.000 0.879 897 L CB -0.243 41.746 42.059 -0.116 0.000 1.232 897 L HN 0.824 nan 8.230 nan 0.000 0.454 898 F N 0.960 120.951 119.950 0.070 0.000 2.653 898 F HA 0.012 4.543 4.527 0.007 0.000 0.304 898 F C 1.738 177.626 175.800 0.146 0.000 1.092 898 F CA -0.323 57.756 58.000 0.132 0.000 1.279 898 F CB 0.315 39.332 39.000 0.030 0.000 1.044 898 F HN 0.509 nan 8.300 nan 0.000 0.564 899 D N 0.240 120.755 120.400 0.191 0.000 2.219 899 D HA -0.122 4.522 4.640 0.007 0.000 0.205 899 D C 1.447 177.798 176.300 0.084 0.000 0.970 899 D CA 0.967 55.028 54.000 0.101 0.000 0.851 899 D CB 0.269 41.073 40.800 0.006 0.000 0.943 899 D HN -0.097 nan 8.370 nan 0.000 0.488 900 M N -0.224 119.418 119.600 0.069 0.000 2.113 900 M HA 0.189 4.673 4.480 0.007 0.000 0.288 900 M C -0.013 176.374 176.300 0.144 0.000 1.225 900 M CA 0.109 55.375 55.300 -0.058 0.000 1.148 900 M CB -0.536 31.880 32.600 -0.307 0.000 1.388 900 M HN 0.096 nan 8.290 nan 0.000 0.469 901 F N -2.492 117.473 119.950 0.026 0.000 2.181 901 F HA -0.139 4.392 4.527 0.007 0.000 0.331 901 F C 0.490 176.307 175.800 0.028 0.000 1.285 901 F CA 0.714 58.737 58.000 0.037 0.000 0.963 901 F CB -1.342 37.700 39.000 0.071 0.000 4.074 901 F HN 0.786 nan 8.300 nan 0.000 0.210 902 D N 2.667 123.195 120.400 0.213 0.000 2.671 902 D HA 0.591 5.235 4.640 0.007 0.000 0.228 902 D C 0.588 176.953 176.300 0.109 0.000 1.102 902 D CA 0.779 54.852 54.000 0.122 0.000 1.044 902 D CB -1.024 39.828 40.800 0.086 0.000 1.113 902 D HN 2.059 nan 8.370 nan 0.000 0.480 903 F N 0.000 120.019 119.950 0.115 0.000 2.286 903 F HA 0.000 4.531 4.527 0.007 0.000 0.279 903 F CA 0.000 58.036 58.000 0.061 0.000 1.383 903 F CB 0.000 39.019 39.000 0.032 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574