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 1n6f_1_A DATA FIRST_RESID 39 DATA SEQUENCE MPNLLLNPDI HGDRIIFVCC DDLWEHDLKS GSTRKIVSNL GVINNARFFP DATA SEQUENCE DGRKIAIRVM RGSSLNTADL YFYNGENGEI KRITYFSGKS TGRRMFTDVA DATA SEQUENCE GFDPDGNLII STDAMQPFSS MTCLYRVEND GINFVPLNLG PATHILFADG DATA SEQUENCE RRVIGRNTFE LPHWKGYRGG TRGKIWIEVN SGAFKKIVDM STHVSSPVIV DATA SEQUENCE GHRIYFITDI DGFGQIYSTD LDGKDLRKHT SFTDYYPRHL NTDGRRILFS DATA SEQUENCE KGGSIYIFNP DTEKIEKIEI GDLESPEDRI ISIPSKFAED FSPLDGDLIA DATA SEQUENCE FVSRGQAFIQ DVSGTYVLKV PEPLRIRYVR RGGDTKVAFI HGTREGDFLG DATA SEQUENCE IYDYRTGKAE KFEENLGNVF AMGVDRNGKF AVVANDRFEI MTVDLETGKP DATA SEQUENCE TVIERSREAM ITDFTISDNS RFIAYGFPLK HGETDGYVMQ AIHVYDMEGR DATA SEQUENCE KIFAATTENS HDYAPAFDAD SKNLYYLSYR SLDPSPDRVV LNFSFEVVSK DATA SEQUENCE PFVIPLIPGS PNPTKLVPRS MTSEAGEYDL NDMYKRSSPI NVDPGDYRMI DATA SEQUENCE IPLESSILIY SVPVHGEFAA YYQGAPEKGV LLKYDVKTRK VTEVKNNLTD DATA SEQUENCE LRLSADRKTV MVRKDDGKIY TFPLEKPEDE RTVETDKRPL VSSIHEEFLQ DATA SEQUENCE MYDEAWKLAR DNYWNEAVAK EISERIYEKY RNLVPLCKTR YDLSNVIVEM DATA SEQUENCE QGEYRTSHSY EMGGTFTDKD PFRSGRIACD FKLDGDHYVV AKAYAGDYSN DATA SEQUENCE EGEKSPIFEY GIDPTGYLIE DIDGETVGAG SNIYRVLSEK AGTSARIRLS DATA SEQUENCE GKGGDKRDLM IDILDDDRFI RYRSWVEANR RYVHERSKGT IGYIHIPDMG DATA SEQUENCE MMGLNEFYRL FINESSYQGL IVDVRFNGGG FVSQLIIEKL MNKRIGYDNP DATA SEQUENCE RRGTLSPYPT NSVRGKIIAI TNEYAGSDGD IFSFSFKKLG LGKLIGTRTW DATA SEQUENCE GGVVGITPKR RLIDGTVLTQ PEFAFWFRDA GFGVENYGVD PDVEIEYAPH DATA SEQUENCE DYLSGKDPQI DYAIDALIEE LRN 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.270 176.300 -0.049 0.000 1.140 39 M CA 0.000 55.272 55.300 -0.048 0.000 0.988 39 M CB 0.000 32.570 32.600 -0.051 0.000 1.302 40 P HA 0.454 nan 4.420 nan 0.000 0.293 40 P C -1.352 175.905 177.300 -0.072 0.000 1.304 40 P CA -0.286 62.769 63.100 -0.074 0.000 0.767 40 P CB 0.757 32.404 31.700 -0.088 0.000 1.247 41 N N -1.350 117.292 118.700 -0.096 0.000 2.563 41 N HA 0.507 5.244 4.740 -0.004 0.000 0.288 41 N C -0.950 174.506 175.510 -0.089 0.000 1.246 41 N CA -0.589 52.411 53.050 -0.082 0.000 0.946 41 N CB 0.236 38.655 38.487 -0.113 0.000 1.213 41 N HN 0.248 nan 8.380 nan 0.000 0.578 42 L N 1.378 122.566 121.223 -0.060 0.000 2.277 42 L HA 0.482 4.819 4.340 -0.004 0.000 0.284 42 L C -1.533 175.308 176.870 -0.047 0.000 1.028 42 L CA -0.216 54.586 54.840 -0.064 0.000 0.835 42 L CB 0.043 42.077 42.059 -0.042 0.000 1.215 42 L HN 0.351 nan 8.230 nan 0.000 0.425 43 L N 6.205 127.374 121.223 -0.090 0.000 2.360 43 L HA 0.737 5.074 4.340 -0.004 0.000 0.271 43 L C -0.420 176.440 176.870 -0.016 0.000 1.057 43 L CA -0.854 53.953 54.840 -0.055 0.000 0.803 43 L CB 1.455 43.347 42.059 -0.279 0.000 1.207 43 L HN 0.645 nan 8.230 nan 0.000 0.445 44 L N -0.929 120.341 121.223 0.078 0.000 2.940 44 L HA 0.455 4.793 4.340 -0.004 0.000 0.270 44 L C -0.797 176.101 176.870 0.046 0.000 1.030 44 L CA -1.163 53.713 54.840 0.060 0.000 0.928 44 L CB 1.803 43.894 42.059 0.055 0.000 1.506 44 L HN 0.664 nan 8.230 nan 0.000 0.405 45 N N -0.224 118.432 118.700 -0.073 0.000 2.642 45 N HA -0.141 4.596 4.740 -0.004 0.000 0.269 45 N C -2.574 172.772 175.510 -0.273 0.000 1.073 45 N CA 0.339 53.037 53.050 -0.586 0.000 0.748 45 N CB -1.117 36.929 38.487 -0.734 0.000 0.894 45 N HN 0.634 nan 8.380 nan 0.000 0.548 46 P HA 0.358 nan 4.420 nan 0.000 0.280 46 P C -0.689 176.837 177.300 0.376 0.000 1.272 46 P CA 0.201 63.459 63.100 0.264 0.000 0.819 46 P CB 1.457 33.296 31.700 0.230 0.000 1.122 47 D N -0.585 120.038 120.400 0.372 0.000 2.753 47 D HA 0.565 5.202 4.640 -0.004 0.000 0.224 47 D C -1.503 175.115 176.300 0.531 0.000 1.213 47 D CA -0.586 53.674 54.000 0.434 0.000 0.833 47 D CB 1.617 42.651 40.800 0.389 0.000 1.607 47 D HN 0.259 nan 8.370 nan 0.000 0.463 48 I N 1.655 122.529 120.570 0.506 0.000 2.785 48 I HA 0.581 4.748 4.170 -0.004 0.000 0.302 48 I C -1.663 174.608 176.117 0.257 0.000 1.069 48 I CA -0.805 60.733 61.300 0.396 0.000 1.045 48 I CB 1.886 40.031 38.000 0.241 0.000 1.236 48 I HN 0.551 nan 8.210 nan 0.000 0.429 49 H N 5.105 124.095 119.070 -0.133 0.000 3.093 49 H HA 0.470 5.024 4.556 -0.004 0.000 0.311 49 H C -0.086 175.099 175.328 -0.239 0.000 1.294 49 H CA 0.489 56.319 56.048 -0.364 0.000 1.628 49 H CB 0.519 29.655 29.762 -1.044 0.000 1.874 49 H HN 0.940 nan 8.280 nan 0.000 0.574 50 G N 3.307 111.912 108.800 -0.325 0.000 2.559 50 G HA2 -0.342 3.615 3.960 -0.004 0.000 0.282 50 G HA3 -0.342 3.615 3.960 -0.004 0.000 0.282 50 G C 0.671 175.533 174.900 -0.063 0.000 1.177 50 G CA 0.492 45.468 45.100 -0.207 0.000 0.960 50 G HN 0.554 nan 8.290 nan 0.000 0.540 51 D N 1.640 122.027 120.400 -0.021 0.000 2.379 51 D HA 0.129 4.766 4.640 -0.004 0.000 0.208 51 D C 1.162 177.514 176.300 0.086 0.000 1.065 51 D CA 0.111 54.130 54.000 0.032 0.000 0.848 51 D CB 0.291 41.102 40.800 0.019 0.000 0.949 51 D HN 0.301 nan 8.370 nan 0.000 0.509 52 R N 0.810 121.366 120.500 0.093 0.000 2.410 52 R HA 0.563 4.900 4.340 -0.004 0.000 0.288 52 R C -0.014 176.477 176.300 0.317 0.000 1.051 52 R CA -0.155 56.060 56.100 0.191 0.000 1.021 52 R CB 1.857 32.265 30.300 0.179 0.000 1.032 52 R HN -0.064 nan 8.270 nan 0.000 0.481 53 I N 4.834 125.665 120.570 0.434 0.000 2.500 53 I HA 0.303 4.470 4.170 -0.004 0.000 0.286 53 I C 0.074 176.530 176.117 0.565 0.000 1.063 53 I CA -0.729 60.873 61.300 0.505 0.000 1.062 53 I CB 1.740 39.974 38.000 0.390 0.000 1.223 53 I HN 0.507 nan 8.210 nan 0.000 0.435 54 I N 4.189 125.054 120.570 0.493 0.000 2.488 54 I HA 0.787 4.954 4.170 -0.004 0.000 0.299 54 I C -0.885 175.414 176.117 0.303 0.000 0.984 54 I CA -0.349 61.091 61.300 0.233 0.000 1.250 54 I CB 1.520 39.457 38.000 -0.105 0.000 1.389 54 I HN 0.511 nan 8.210 nan 0.000 0.488 55 F N 2.746 122.770 119.950 0.122 0.000 2.779 55 F HA 0.780 5.304 4.527 -0.004 0.000 0.316 55 F C -1.619 174.249 175.800 0.113 0.000 1.164 55 F CA -1.226 56.819 58.000 0.076 0.000 0.924 55 F CB 0.891 39.909 39.000 0.031 0.000 1.348 55 F HN 0.215 nan 8.300 nan 0.000 0.467 56 V N 1.391 121.438 119.914 0.222 0.000 2.472 56 V HA 0.580 4.697 4.120 -0.004 0.000 0.290 56 V C -0.671 175.573 176.094 0.250 0.000 1.037 56 V CA -0.576 61.833 62.300 0.182 0.000 0.908 56 V CB 1.222 33.147 31.823 0.170 0.000 0.985 56 V HN 1.033 nan 8.190 nan 0.000 0.454 57 C N 4.924 124.365 119.300 0.236 0.000 2.642 57 C HA 0.520 4.977 4.460 -0.004 0.000 0.344 57 C C 0.585 175.757 174.990 0.303 0.000 1.110 57 C CA -0.546 58.552 59.018 0.132 0.000 1.298 57 C CB -0.312 27.217 27.740 -0.352 0.000 1.827 57 C HN 1.163 nan 8.230 nan 0.000 0.467 58 C N 6.082 125.518 119.300 0.226 0.000 4.167 58 C HA -0.099 4.358 4.460 -0.004 0.000 0.302 58 C C 0.743 175.877 174.990 0.241 0.000 1.384 58 C CA 1.482 60.644 59.018 0.240 0.000 2.041 58 C CB -2.656 25.237 27.740 0.255 0.000 1.303 58 C HN 1.145 nan 8.230 nan 0.000 0.718 59 D N -2.012 118.540 120.400 0.253 0.000 3.006 59 D HA -0.150 4.487 4.640 -0.004 0.000 0.208 59 D C -0.069 176.293 176.300 0.103 0.000 1.116 59 D CA 2.221 56.329 54.000 0.180 0.000 0.998 59 D CB -0.673 40.212 40.800 0.141 0.000 1.124 59 D HN 0.716 nan 8.370 nan 0.000 0.413 60 D N -0.268 120.222 120.400 0.150 0.000 2.385 60 D HA 0.474 5.111 4.640 -0.004 0.000 0.254 60 D C 0.411 176.742 176.300 0.052 0.000 1.053 60 D CA -0.585 53.433 54.000 0.030 0.000 0.992 60 D CB 1.042 41.804 40.800 -0.063 0.000 1.145 60 D HN -0.034 nan 8.370 nan 0.000 0.523 61 L N 1.412 122.546 121.223 -0.148 0.000 2.264 61 L HA 0.344 4.681 4.340 -0.004 0.000 0.289 61 L C -1.213 175.471 176.870 -0.311 0.000 1.044 61 L CA -0.463 54.274 54.840 -0.171 0.000 0.807 61 L CB 0.443 42.359 42.059 -0.239 0.000 1.192 61 L HN 0.333 nan 8.230 nan 0.000 0.425 62 W N 3.422 124.396 121.300 -0.543 0.000 2.736 62 W HA 0.538 5.196 4.660 -0.005 0.000 0.355 62 W C -0.318 175.871 176.519 -0.550 0.000 1.102 62 W CA -0.503 56.481 57.345 -0.602 0.000 1.164 62 W CB 1.160 30.104 29.460 -0.859 0.000 1.422 62 W HN 0.346 nan 8.180 nan 0.000 0.572 63 E N 1.377 121.599 120.200 0.037 0.000 2.272 63 E HA 0.232 4.579 4.350 -0.004 0.000 0.269 63 E C -1.590 175.233 176.600 0.372 0.000 0.877 63 E CA -0.592 55.921 56.400 0.188 0.000 0.755 63 E CB 1.611 31.412 29.700 0.167 0.000 1.192 63 E HN 0.533 nan 8.360 nan 0.000 0.422 64 H N 3.219 122.507 119.070 0.364 0.000 2.679 64 H HA 0.265 4.819 4.556 -0.005 0.000 0.360 64 H C -1.720 173.743 175.328 0.224 0.000 1.105 64 H CA -0.641 55.599 56.048 0.319 0.000 1.196 64 H CB 1.970 31.962 29.762 0.384 0.000 1.636 64 H HN 0.618 nan 8.280 nan 0.000 0.531 65 D N 4.488 124.664 120.400 -0.372 0.000 2.359 65 D HA 0.152 4.790 4.640 -0.004 0.000 0.230 65 D C 1.167 177.286 176.300 -0.303 0.000 1.118 65 D CA -0.432 53.445 54.000 -0.205 0.000 0.844 65 D CB 0.897 41.624 40.800 -0.121 0.000 1.059 65 D HN 0.546 nan 8.370 nan 0.000 0.493 66 L N 3.458 124.676 121.223 -0.007 0.000 2.079 66 L HA -0.138 4.199 4.340 -0.004 0.000 0.210 66 L C 2.353 179.239 176.870 0.026 0.000 1.081 66 L CA 1.073 55.969 54.840 0.093 0.000 0.752 66 L CB -0.324 41.801 42.059 0.110 0.000 0.896 66 L HN 0.503 nan 8.230 nan 0.000 0.433 67 K N 0.274 120.671 120.400 -0.005 0.000 1.963 67 K HA -0.192 4.125 4.320 -0.004 0.000 0.216 67 K C 2.382 178.971 176.600 -0.018 0.000 1.045 67 K CA 1.961 58.245 56.287 -0.005 0.000 0.954 67 K CB -0.159 32.338 32.500 -0.005 0.000 0.732 67 K HN 0.301 nan 8.250 nan 0.000 0.442 68 S N -0.923 114.753 115.700 -0.039 0.000 2.382 68 S HA -0.014 4.454 4.470 -0.004 0.000 0.228 68 S C 1.511 176.084 174.600 -0.045 0.000 1.027 68 S CA 1.146 59.324 58.200 -0.036 0.000 0.991 68 S CB -0.412 62.767 63.200 -0.035 0.000 0.823 68 S HN 0.714 nan 8.310 nan 0.000 0.469 69 G N 0.999 109.725 108.800 -0.123 0.000 2.141 69 G HA2 -0.229 3.728 3.960 -0.004 0.000 0.242 69 G HA3 -0.229 3.728 3.960 -0.004 0.000 0.242 69 G C 0.084 174.938 174.900 -0.077 0.000 0.982 69 G CA 0.281 45.334 45.100 -0.078 0.000 0.662 69 G HN 1.472 nan 8.290 nan 0.000 0.527 70 S N -0.130 115.481 115.700 -0.148 0.000 2.554 70 S HA 0.801 5.268 4.470 -0.004 0.000 0.278 70 S C 0.029 174.646 174.600 0.028 0.000 1.242 70 S CA 0.577 58.768 58.200 -0.016 0.000 1.051 70 S CB 2.170 65.374 63.200 0.007 0.000 0.986 70 S HN 0.720 nan 8.310 nan 0.000 0.502 71 T N 3.016 117.696 114.554 0.209 0.000 2.863 71 T HA 0.793 5.140 4.350 -0.004 0.000 0.285 71 T C -0.524 174.393 174.700 0.362 0.000 1.009 71 T CA -1.002 61.318 62.100 0.367 0.000 0.989 71 T CB 1.251 70.406 68.868 0.479 0.000 1.004 71 T HN 0.946 nan 8.240 nan 0.000 0.455 72 R N 0.269 120.998 120.500 0.382 0.000 2.643 72 R HA 0.569 4.907 4.340 -0.004 0.000 0.269 72 R C -1.409 174.861 176.300 -0.050 0.000 1.037 72 R CA -1.221 54.999 56.100 0.200 0.000 0.894 72 R CB 1.612 31.954 30.300 0.071 0.000 1.238 72 R HN 0.470 nan 8.270 nan 0.000 0.459 73 K N 3.270 123.303 120.400 -0.612 0.000 2.312 73 K HA 0.198 4.515 4.320 -0.004 0.000 0.287 73 K C 0.664 176.932 176.600 -0.553 0.000 1.062 73 K CA -0.502 55.130 56.287 -1.091 0.000 0.934 73 K CB 0.614 32.200 32.500 -1.524 0.000 1.027 73 K HN 0.789 nan 8.250 nan 0.000 0.478 74 I N 1.756 122.034 120.570 -0.486 0.000 3.645 74 I HA 0.136 4.303 4.170 -0.004 0.000 0.300 74 I C 0.053 175.813 176.117 -0.596 0.000 1.260 74 I CA -0.347 60.688 61.300 -0.441 0.000 1.365 74 I CB 0.713 38.440 38.000 -0.455 0.000 1.077 74 I HN 0.233 nan 8.210 nan 0.000 0.439 75 V N 1.294 120.888 119.914 -0.534 0.000 2.852 75 V HA 0.688 4.806 4.120 -0.004 0.000 0.300 75 V C -0.926 174.969 176.094 -0.332 0.000 1.205 75 V CA 0.363 62.407 62.300 -0.426 0.000 0.940 75 V CB 1.968 33.502 31.823 -0.481 0.000 1.047 75 V HN 0.498 nan 8.190 nan 0.000 0.429 76 S N 3.876 119.426 115.700 -0.250 0.000 2.671 76 S HA 0.650 5.117 4.470 -0.004 0.000 0.277 76 S C -0.017 174.493 174.600 -0.150 0.000 1.165 76 S CA 0.012 58.092 58.200 -0.200 0.000 0.822 76 S CB 1.561 64.637 63.200 -0.207 0.000 1.150 76 S HN 2.204 nan 8.310 nan 0.000 0.479 77 N N -0.704 117.926 118.700 -0.116 0.000 2.725 77 N HA -0.134 4.603 4.740 -0.004 0.000 0.249 77 N C -0.020 175.417 175.510 -0.122 0.000 1.103 77 N CA 1.053 54.045 53.050 -0.096 0.000 0.707 77 N CB -1.654 36.785 38.487 -0.080 0.000 1.043 77 N HN 0.682 nan 8.380 nan 0.000 0.553 78 L N -2.163 118.966 121.223 -0.156 0.000 2.609 78 L HA 0.411 4.748 4.340 -0.004 0.000 0.230 78 L C 1.479 178.245 176.870 -0.175 0.000 1.087 78 L CA 0.654 55.361 54.840 -0.222 0.000 0.874 78 L CB 0.009 41.868 42.059 -0.332 0.000 1.114 78 L HN 0.515 nan 8.230 nan 0.000 0.488 79 G N -0.342 108.385 108.800 -0.122 0.000 2.255 79 G HA2 -0.132 3.825 3.960 -0.004 0.000 0.216 79 G HA3 -0.132 3.825 3.960 -0.004 0.000 0.216 79 G C -1.088 173.769 174.900 -0.071 0.000 1.307 79 G CA -0.404 44.642 45.100 -0.090 0.000 1.162 79 G HN -0.245 nan 8.290 nan 0.000 0.494 80 V N 1.449 121.313 119.914 -0.083 0.000 2.350 80 V HA 0.550 4.668 4.120 -0.004 0.000 0.276 80 V C 0.481 176.470 176.094 -0.174 0.000 1.028 80 V CA -0.320 61.893 62.300 -0.145 0.000 0.860 80 V CB 0.918 32.596 31.823 -0.243 0.000 0.990 80 V HN 0.568 nan 8.190 nan 0.000 0.453 81 I N 5.028 125.524 120.570 -0.124 0.000 2.331 81 I HA 0.330 4.497 4.170 -0.004 0.000 0.292 81 I C 0.984 177.065 176.117 -0.060 0.000 0.998 81 I CA -0.005 61.250 61.300 -0.075 0.000 1.267 81 I CB 1.107 39.082 38.000 -0.042 0.000 1.386 81 I HN 0.853 nan 8.210 nan 0.000 0.476 82 N N 3.197 121.883 118.700 -0.025 0.000 2.193 82 N HA 0.117 4.854 4.740 -0.004 0.000 0.210 82 N C -0.059 175.530 175.510 0.131 0.000 1.215 82 N CA -0.430 52.666 53.050 0.078 0.000 0.901 82 N CB 0.506 39.035 38.487 0.071 0.000 1.060 82 N HN 0.514 nan 8.380 nan 0.000 0.508 83 N N 0.289 119.063 118.700 0.123 0.000 2.369 83 N HA 0.580 5.317 4.740 -0.004 0.000 0.287 83 N C -2.150 173.454 175.510 0.156 0.000 1.067 83 N CA -0.444 52.728 53.050 0.203 0.000 0.888 83 N CB 2.304 40.947 38.487 0.260 0.000 1.616 83 N HN 0.311 nan 8.380 nan 0.000 0.482 84 A N 2.801 125.725 122.820 0.174 0.000 2.398 84 A HA 0.803 5.120 4.320 -0.004 0.000 0.301 84 A C -1.123 176.552 177.584 0.152 0.000 1.041 84 A CA -0.708 51.399 52.037 0.116 0.000 0.711 84 A CB 1.196 20.205 19.000 0.015 0.000 1.240 84 A HN 0.499 nan 8.150 nan 0.000 0.420 85 R N 1.668 122.269 120.500 0.169 0.000 2.513 85 R HA 0.385 4.722 4.340 -0.004 0.000 0.301 85 R C -1.450 174.987 176.300 0.229 0.000 0.968 85 R CA -0.436 55.809 56.100 0.241 0.000 0.872 85 R CB 1.268 31.767 30.300 0.332 0.000 1.177 85 R HN 0.707 nan 8.270 nan 0.000 0.444 86 F N 2.364 122.443 119.950 0.214 0.000 2.529 86 F HA 0.137 4.661 4.527 -0.004 0.000 0.365 86 F C 0.944 176.652 175.800 -0.153 0.000 1.102 86 F CA 0.176 58.237 58.000 0.102 0.000 1.271 86 F CB 0.486 39.537 39.000 0.084 0.000 1.120 86 F HN 0.348 nan 8.300 nan 0.000 0.579 87 F N 4.933 124.804 119.950 -0.133 0.000 2.352 87 F HA 0.175 4.699 4.527 -0.005 0.000 0.304 87 F C -0.878 174.631 175.800 -0.486 0.000 1.215 87 F CA -1.479 56.135 58.000 -0.643 0.000 1.121 87 F CB -0.116 38.666 39.000 -0.363 0.000 1.329 87 F HN 0.296 nan 8.300 nan 0.000 0.528 88 P HA -0.202 nan 4.420 nan 0.000 0.213 88 P C 0.727 178.019 177.300 -0.013 0.000 1.170 88 P CA 2.022 65.058 63.100 -0.107 0.000 0.898 88 P CB -0.266 31.392 31.700 -0.070 0.000 0.787 89 D N -0.717 119.660 120.400 -0.039 0.000 2.403 89 D HA -0.049 4.588 4.640 -0.004 0.000 0.227 89 D C 1.509 177.678 176.300 -0.219 0.000 0.995 89 D CA 1.086 55.051 54.000 -0.058 0.000 0.928 89 D CB -1.456 39.303 40.800 -0.069 0.000 0.887 89 D HN 0.381 nan 8.370 nan 0.000 0.529 90 G N 0.480 108.993 108.800 -0.478 0.000 2.180 90 G HA2 -0.391 3.567 3.960 -0.004 0.000 0.263 90 G HA3 -0.391 3.567 3.960 -0.004 0.000 0.263 90 G C 1.224 175.945 174.900 -0.299 0.000 0.989 90 G CA 0.683 45.182 45.100 -1.002 0.000 0.692 90 G HN 0.340 nan 8.290 nan 0.000 0.526 91 R N 0.042 120.453 120.500 -0.148 0.000 2.039 91 R HA 0.222 4.560 4.340 -0.004 0.000 0.218 91 R C 1.535 177.776 176.300 -0.097 0.000 1.220 91 R CA 0.802 56.838 56.100 -0.108 0.000 0.993 91 R CB -0.500 29.703 30.300 -0.160 0.000 0.881 91 R HN 0.423 nan 8.270 nan 0.000 0.450 92 K N 0.916 121.168 120.400 -0.246 0.000 2.120 92 K HA 0.409 4.726 4.320 -0.004 0.000 0.245 92 K C -0.056 176.590 176.600 0.078 0.000 1.024 92 K CA -0.137 55.932 56.287 -0.363 0.000 0.906 92 K CB 0.739 32.576 32.500 -1.105 0.000 1.051 92 K HN 0.017 nan 8.250 nan 0.000 0.491 93 I N 0.844 121.528 120.570 0.192 0.000 2.571 93 I HA 0.208 4.375 4.170 -0.004 0.000 0.289 93 I C -0.772 175.677 176.117 0.554 0.000 1.115 93 I CA -0.837 60.705 61.300 0.402 0.000 1.045 93 I CB 2.089 40.213 38.000 0.206 0.000 1.238 93 I HN 0.552 nan 8.210 nan 0.000 0.424 94 A N 7.572 130.772 122.820 0.632 0.000 2.328 94 A HA 0.842 5.159 4.320 -0.004 0.000 0.284 94 A C -0.565 177.239 177.584 0.366 0.000 1.160 94 A CA -0.094 52.328 52.037 0.642 0.000 0.818 94 A CB 0.274 19.573 19.000 0.499 0.000 1.087 94 A HN 0.655 nan 8.150 nan 0.000 0.504 95 I N 1.500 122.265 120.570 0.326 0.000 2.608 95 I HA 0.475 4.642 4.170 -0.004 0.000 0.295 95 I C 0.175 176.383 176.117 0.152 0.000 1.049 95 I CA -0.561 60.858 61.300 0.199 0.000 1.063 95 I CB 2.227 40.325 38.000 0.163 0.000 1.248 95 I HN 0.782 nan 8.210 nan 0.000 0.424 96 R N 5.052 125.612 120.500 0.100 0.000 2.338 96 R HA 0.766 5.104 4.340 -0.004 0.000 0.317 96 R C -1.764 174.559 176.300 0.039 0.000 0.968 96 R CA -0.466 55.670 56.100 0.061 0.000 0.849 96 R CB 1.858 32.191 30.300 0.055 0.000 1.128 96 R HN 0.516 nan 8.270 nan 0.000 0.448 97 V N 5.906 125.851 119.914 0.051 0.000 2.789 97 V HA 0.526 4.643 4.120 -0.004 0.000 0.311 97 V C -0.963 175.218 176.094 0.145 0.000 1.073 97 V CA -0.853 61.485 62.300 0.063 0.000 0.921 97 V CB 2.145 34.008 31.823 0.067 0.000 1.009 97 V HN 0.896 nan 8.190 nan 0.000 0.426 98 M N 6.131 125.769 119.600 0.063 0.000 2.404 98 M HA 0.668 5.145 4.480 -0.004 0.000 0.338 98 M C -0.220 176.116 176.300 0.060 0.000 1.150 98 M CA -0.376 54.962 55.300 0.064 0.000 1.016 98 M CB 2.044 34.584 32.600 -0.100 0.000 1.672 98 M HN 0.628 nan 8.290 nan 0.000 0.448 99 R N 0.258 120.798 120.500 0.066 0.000 2.869 99 R HA 0.854 5.191 4.340 -0.004 0.000 0.263 99 R C -0.852 175.413 176.300 -0.058 0.000 1.066 99 R CA -0.752 55.288 56.100 -0.100 0.000 0.960 99 R CB 2.383 32.410 30.300 -0.454 0.000 1.221 99 R HN 0.936 nan 8.270 nan 0.000 0.474 100 G N 0.088 108.843 108.800 -0.076 0.000 2.785 100 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.686 100 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.686 100 G C 0.350 175.257 174.900 0.011 0.000 1.155 100 G CA -0.051 45.029 45.100 -0.033 0.000 0.760 100 G HN 0.520 nan 8.290 nan 0.000 0.624 101 S N 0.087 115.803 115.700 0.028 0.000 2.389 101 S HA -0.147 4.321 4.470 -0.004 0.000 0.231 101 S C 2.213 176.911 174.600 0.164 0.000 1.052 101 S CA 2.618 60.867 58.200 0.082 0.000 1.053 101 S CB -0.158 63.074 63.200 0.053 0.000 0.886 101 S HN 1.310 nan 8.310 nan 0.000 0.456 102 S N 0.510 116.275 115.700 0.110 0.000 2.575 102 S HA 0.447 4.914 4.470 -0.004 0.000 0.237 102 S C 0.136 174.705 174.600 -0.052 0.000 0.975 102 S CA -0.209 58.063 58.200 0.119 0.000 0.960 102 S CB -0.129 63.117 63.200 0.077 0.000 0.822 102 S HN 0.566 nan 8.310 nan 0.000 0.472 103 L N 1.598 122.791 121.223 -0.051 0.000 3.597 103 L HA -0.293 4.045 4.340 -0.004 0.000 0.440 103 L C 0.878 177.679 176.870 -0.115 0.000 1.277 103 L CA 0.481 55.249 54.840 -0.121 0.000 0.852 103 L CB -2.274 39.617 42.059 -0.279 0.000 1.708 103 L HN 0.526 nan 8.230 nan 0.000 0.885 104 N N -1.287 117.374 118.700 -0.066 0.000 2.422 104 N HA 0.010 4.748 4.740 -0.004 0.000 0.181 104 N C 0.614 176.100 175.510 -0.040 0.000 1.080 104 N CA 0.594 53.602 53.050 -0.070 0.000 0.893 104 N CB 0.289 38.746 38.487 -0.049 0.000 0.973 104 N HN 0.577 nan 8.380 nan 0.000 0.456 105 T N -2.921 111.640 114.554 0.013 0.000 2.908 105 T HA 0.836 5.184 4.350 -0.004 0.000 0.290 105 T C -0.751 174.044 174.700 0.158 0.000 1.034 105 T CA -0.809 61.344 62.100 0.088 0.000 1.010 105 T CB 2.170 71.140 68.868 0.170 0.000 1.068 105 T HN 0.213 nan 8.240 nan 0.000 0.481 106 A N 1.480 124.365 122.820 0.109 0.000 2.606 106 A HA 0.837 5.154 4.320 -0.004 0.000 0.293 106 A C -1.633 175.765 177.584 -0.311 0.000 1.082 106 A CA -0.710 51.337 52.037 0.016 0.000 0.685 106 A CB 1.809 20.794 19.000 -0.026 0.000 1.284 106 A HN 0.853 nan 8.150 nan 0.000 0.408 107 D N -0.578 119.490 120.400 -0.553 0.000 2.639 107 D HA 0.527 5.164 4.640 -0.004 0.000 0.271 107 D C -1.343 174.718 176.300 -0.400 0.000 1.254 107 D CA -0.221 53.350 54.000 -0.714 0.000 0.810 107 D CB 1.608 41.556 40.800 -1.419 0.000 1.351 107 D HN 0.478 nan 8.370 nan 0.000 0.427 108 L N 1.022 122.017 121.223 -0.380 0.000 2.325 108 L HA 0.548 4.885 4.340 -0.004 0.000 0.278 108 L C -0.913 175.801 176.870 -0.260 0.000 1.023 108 L CA -0.723 54.008 54.840 -0.182 0.000 0.811 108 L CB 1.009 42.975 42.059 -0.156 0.000 1.249 108 L HN 0.274 nan 8.230 nan 0.000 0.431 109 Y N 0.921 121.142 120.300 -0.132 0.000 2.536 109 Y HA 0.511 5.058 4.550 -0.004 0.000 0.347 109 Y C -0.568 175.433 175.900 0.168 0.000 1.000 109 Y CA -0.671 57.390 58.100 -0.065 0.000 1.051 109 Y CB 2.166 40.634 38.460 0.013 0.000 1.259 109 Y HN 0.288 nan 8.280 nan 0.000 0.468 110 F N 2.079 122.171 119.950 0.236 0.000 2.443 110 F HA 0.342 4.867 4.527 -0.004 0.000 0.335 110 F C -0.937 175.002 175.800 0.232 0.000 1.104 110 F CA -1.053 57.075 58.000 0.214 0.000 1.013 110 F CB 1.401 40.464 39.000 0.105 0.000 1.136 110 F HN 0.418 nan 8.300 nan 0.000 0.470 111 Y N 3.915 124.375 120.300 0.267 0.000 2.393 111 Y HA 0.361 4.909 4.550 -0.005 0.000 0.341 111 Y C -1.120 174.793 175.900 0.022 0.000 0.988 111 Y CA -1.318 56.853 58.100 0.118 0.000 1.078 111 Y CB 1.353 39.857 38.460 0.074 0.000 1.203 111 Y HN 0.507 nan 8.280 nan 0.000 0.453 112 N N 3.263 121.498 118.700 -0.774 0.000 2.518 112 N HA 0.271 5.009 4.740 -0.004 0.000 0.254 112 N C 0.593 175.559 175.510 -0.908 0.000 0.979 112 N CA 0.080 52.743 53.050 -0.645 0.000 0.930 112 N CB 1.378 39.657 38.487 -0.347 0.000 1.152 112 N HN 0.942 nan 8.380 nan 0.000 0.505 113 G N 1.891 110.265 108.800 -0.710 0.000 2.708 113 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.210 113 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.210 113 G C 0.947 175.734 174.900 -0.187 0.000 1.141 113 G CA 0.370 45.250 45.100 -0.367 0.000 0.788 113 G HN 0.714 nan 8.290 nan 0.000 0.531 114 E N 1.436 121.511 120.200 -0.208 0.000 2.051 114 E HA -0.109 4.238 4.350 -0.004 0.000 0.189 114 E C 1.800 178.338 176.600 -0.103 0.000 0.979 114 E CA 1.335 57.660 56.400 -0.125 0.000 0.803 114 E CB 0.036 29.662 29.700 -0.125 0.000 0.761 114 E HN 0.481 nan 8.360 nan 0.000 0.451 115 N N -1.284 117.337 118.700 -0.132 0.000 2.159 115 N HA 0.141 4.878 4.740 -0.004 0.000 0.217 115 N C 0.814 176.282 175.510 -0.070 0.000 1.223 115 N CA 0.545 53.546 53.050 -0.083 0.000 0.896 115 N CB 0.795 39.240 38.487 -0.070 0.000 1.064 115 N HN 0.232 nan 8.380 nan 0.000 0.518 116 G N 0.463 109.187 108.800 -0.127 0.000 2.168 116 G HA2 -0.367 3.590 3.960 -0.004 0.000 0.257 116 G HA3 -0.367 3.590 3.960 -0.004 0.000 0.257 116 G C -0.299 174.618 174.900 0.029 0.000 0.997 116 G CA 0.469 45.561 45.100 -0.013 0.000 0.708 116 G HN 0.667 nan 8.290 nan 0.000 0.520 117 E N -0.370 119.784 120.200 -0.076 0.000 2.360 117 E HA 0.508 4.856 4.350 -0.004 0.000 0.269 117 E C -0.145 176.508 176.600 0.089 0.000 1.022 117 E CA -0.722 55.680 56.400 0.004 0.000 0.887 117 E CB 0.462 30.146 29.700 -0.026 0.000 0.990 117 E HN 0.356 nan 8.360 nan 0.000 0.426 118 I N 3.800 124.469 120.570 0.164 0.000 2.569 118 I HA 0.435 4.603 4.170 -0.004 0.000 0.296 118 I C -1.414 174.847 176.117 0.241 0.000 1.028 118 I CA -0.453 61.001 61.300 0.257 0.000 1.082 118 I CB 1.544 39.687 38.000 0.239 0.000 1.264 118 I HN 0.531 nan 8.210 nan 0.000 0.429 119 K N 5.937 126.517 120.400 0.300 0.000 2.557 119 K HA 0.417 4.734 4.320 -0.004 0.000 0.257 119 K C -1.258 175.308 176.600 -0.058 0.000 0.933 119 K CA -0.833 55.553 56.287 0.165 0.000 0.820 119 K CB 1.617 34.184 32.500 0.112 0.000 1.330 119 K HN 0.716 nan 8.250 nan 0.000 0.432 120 R N 3.834 124.081 120.500 -0.422 0.000 2.389 120 R HA 0.180 4.518 4.340 -0.004 0.000 0.295 120 R C 0.205 176.090 176.300 -0.693 0.000 1.075 120 R CA -0.034 55.359 56.100 -1.179 0.000 1.005 120 R CB 0.496 30.040 30.300 -1.261 0.000 0.987 120 R HN 0.588 nan 8.270 nan 0.000 0.452 121 I N 1.859 121.971 120.570 -0.763 0.000 3.172 121 I HA -0.002 4.165 4.170 -0.004 0.000 0.278 121 I C 0.670 176.532 176.117 -0.424 0.000 1.174 121 I CA 0.841 61.809 61.300 -0.555 0.000 1.445 121 I CB 0.340 37.871 38.000 -0.782 0.000 1.175 121 I HN 0.721 nan 8.210 nan 0.000 0.447 122 T N -2.450 111.703 114.554 -0.668 0.000 2.888 122 T HA 0.489 4.837 4.350 -0.004 0.000 0.284 122 T C -0.747 173.372 174.700 -0.968 0.000 1.017 122 T CA -0.309 61.282 62.100 -0.847 0.000 1.022 122 T CB 1.466 69.791 68.868 -0.904 0.000 1.013 122 T HN 0.035 nan 8.240 nan 0.000 0.465 123 Y N 1.082 120.898 120.300 -0.807 0.000 2.577 123 Y HA 0.415 4.962 4.550 -0.005 0.000 0.307 123 Y C 0.518 176.252 175.900 -0.276 0.000 0.940 123 Y CA -1.435 56.428 58.100 -0.396 0.000 1.132 123 Y CB -0.163 38.195 38.460 -0.170 0.000 1.184 123 Y HN 0.758 nan 8.280 nan 0.000 0.611 124 F N -1.250 118.584 119.950 -0.195 0.000 2.473 124 F HA -0.018 4.507 4.527 -0.005 0.000 0.294 124 F C 1.655 177.367 175.800 -0.146 0.000 1.103 124 F CA 0.491 58.359 58.000 -0.219 0.000 1.442 124 F CB 0.295 39.080 39.000 -0.357 0.000 1.097 124 F HN 0.125 nan 8.300 nan 0.000 0.547 125 S N 1.141 116.850 115.700 0.015 0.000 3.706 125 S HA -0.148 4.319 4.470 -0.004 0.000 0.363 125 S C 0.515 175.126 174.600 0.017 0.000 0.999 125 S CA -0.024 58.198 58.200 0.038 0.000 1.143 125 S CB -1.659 61.603 63.200 0.103 0.000 0.902 125 S HN 0.610 nan 8.310 nan 0.000 0.476 126 G N 1.628 110.419 108.800 -0.014 0.000 2.321 126 G HA2 0.250 4.208 3.960 -0.004 0.000 0.237 126 G HA3 0.250 4.208 3.960 -0.004 0.000 0.237 126 G C -0.049 174.829 174.900 -0.036 0.000 1.282 126 G CA -0.178 44.902 45.100 -0.034 0.000 0.886 126 G HN 0.673 nan 8.290 nan 0.000 0.528 127 K N 0.708 121.074 120.400 -0.058 0.000 2.218 127 K HA 0.458 4.775 4.320 -0.004 0.000 0.276 127 K C 0.337 176.857 176.600 -0.133 0.000 1.022 127 K CA -0.111 56.125 56.287 -0.084 0.000 0.946 127 K CB 1.233 33.672 32.500 -0.101 0.000 1.000 127 K HN 0.600 nan 8.250 nan 0.000 0.468 128 S N 0.833 116.432 115.700 -0.168 0.000 2.579 128 S HA 0.594 5.061 4.470 -0.004 0.000 0.272 128 S C -0.653 173.781 174.600 -0.276 0.000 1.141 128 S CA -0.675 57.371 58.200 -0.257 0.000 0.843 128 S CB 1.825 64.913 63.200 -0.186 0.000 1.122 128 S HN 0.686 nan 8.310 nan 0.000 0.468 129 T N -1.199 113.139 114.554 -0.360 0.000 2.804 129 T HA 0.692 5.039 4.350 -0.004 0.000 0.290 129 T C 1.378 175.891 174.700 -0.310 0.000 1.099 129 T CA -0.232 61.673 62.100 -0.325 0.000 1.011 129 T CB 0.747 69.388 68.868 -0.379 0.000 1.291 129 T HN 1.131 nan 8.240 nan 0.000 0.523 130 G N 0.657 109.296 108.800 -0.268 0.000 2.446 130 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.217 130 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.217 130 G C 1.457 176.233 174.900 -0.207 0.000 1.168 130 G CA 0.940 45.921 45.100 -0.198 0.000 0.771 130 G HN 0.955 nan 8.290 nan 0.000 0.551 131 R N -0.469 119.833 120.500 -0.330 0.000 2.300 131 R HA 0.275 4.613 4.340 -0.004 0.000 0.199 131 R C 0.613 176.680 176.300 -0.389 0.000 0.920 131 R CA 0.001 55.915 56.100 -0.310 0.000 1.046 131 R CB 0.229 30.188 30.300 -0.567 0.000 0.984 131 R HN 0.137 nan 8.270 nan 0.000 0.493 132 R N 1.415 121.563 120.500 -0.586 0.000 2.681 132 R HA 0.322 4.660 4.340 -0.004 0.000 0.277 132 R C -0.528 175.223 176.300 -0.915 0.000 1.563 132 R CA -0.210 55.264 56.100 -1.043 0.000 1.673 132 R CB 1.148 30.536 30.300 -1.520 0.000 1.258 132 R HN 0.091 nan 8.270 nan 0.000 0.650 133 M N 2.506 121.852 119.600 -0.424 0.000 3.596 133 M HA 0.181 4.659 4.480 -0.004 0.000 0.212 133 M C -0.241 176.076 176.300 0.028 0.000 1.519 133 M CA 0.619 55.807 55.300 -0.186 0.000 1.670 133 M CB -0.566 31.995 32.600 -0.064 0.000 1.113 133 M HN 0.270 nan 8.290 nan 0.000 0.565 134 F N 0.591 120.424 119.950 -0.194 0.000 2.426 134 F HA 0.107 4.631 4.527 -0.005 0.000 0.309 134 F C 1.348 177.074 175.800 -0.124 0.000 1.246 134 F CA -0.523 57.377 58.000 -0.167 0.000 1.229 134 F CB 0.502 39.390 39.000 -0.187 0.000 1.255 134 F HN 0.391 nan 8.300 nan 0.000 0.558 135 T N 1.168 115.769 114.554 0.079 0.000 2.923 135 T HA -0.170 4.177 4.350 -0.004 0.000 0.463 135 T C -0.968 173.734 174.700 0.003 0.000 0.780 135 T CA 0.202 62.302 62.100 0.001 0.000 2.436 135 T CB -1.032 67.828 68.868 -0.012 0.000 1.675 135 T HN 0.663 nan 8.240 nan 0.000 0.598 136 D N -0.142 120.256 120.400 -0.004 0.000 2.744 136 D HA 0.572 5.210 4.640 -0.004 0.000 0.304 136 D C -0.416 175.869 176.300 -0.024 0.000 1.179 136 D CA -0.609 53.392 54.000 0.002 0.000 1.024 136 D CB 1.679 42.493 40.800 0.023 0.000 1.453 136 D HN 0.216 nan 8.370 nan 0.000 0.529 137 V N 1.418 121.316 119.914 -0.028 0.000 2.555 137 V HA 0.487 4.604 4.120 -0.004 0.000 0.286 137 V C 1.114 177.122 176.094 -0.142 0.000 1.044 137 V CA 0.619 62.863 62.300 -0.094 0.000 1.026 137 V CB 0.912 32.686 31.823 -0.082 0.000 0.981 137 V HN 0.715 nan 8.190 nan 0.000 0.480 138 A N 3.664 126.383 122.820 -0.169 0.000 1.973 138 A HA 0.706 5.023 4.320 -0.004 0.000 0.210 138 A C 1.024 178.537 177.584 -0.118 0.000 1.200 138 A CA 0.922 52.870 52.037 -0.148 0.000 0.707 138 A CB 0.118 19.065 19.000 -0.088 0.000 0.862 138 A HN 1.331 nan 8.150 nan 0.000 0.461 139 G N -2.206 106.465 108.800 -0.216 0.000 2.323 139 G HA2 0.429 4.386 3.960 -0.004 0.000 0.291 139 G HA3 0.429 4.386 3.960 -0.004 0.000 0.291 139 G C -1.741 172.897 174.900 -0.437 0.000 1.278 139 G CA -0.736 44.282 45.100 -0.137 0.000 0.860 139 G HN 0.252 nan 8.290 nan 0.000 0.504 140 F N 1.573 121.603 119.950 0.133 0.000 2.547 140 F HA 0.467 4.992 4.527 -0.004 0.000 0.316 140 F C 0.116 175.882 175.800 -0.057 0.000 1.121 140 F CA -0.649 57.371 58.000 0.034 0.000 0.911 140 F CB 2.218 41.202 39.000 -0.028 0.000 1.179 140 F HN 0.648 nan 8.300 nan 0.000 0.443 141 D N 2.833 123.192 120.400 -0.068 0.000 2.371 141 D HA 0.173 4.811 4.640 -0.004 0.000 0.242 141 D C -2.109 173.920 176.300 -0.451 0.000 1.218 141 D CA -1.957 51.642 54.000 -0.669 0.000 0.945 141 D CB 0.289 40.844 40.800 -0.408 0.000 1.137 141 D HN 0.175 nan 8.370 nan 0.000 0.464 142 P HA -0.107 nan 4.420 nan 0.000 0.217 142 P C 0.264 177.510 177.300 -0.091 0.000 1.148 142 P CA 1.214 64.179 63.100 -0.226 0.000 0.828 142 P CB 0.084 31.681 31.700 -0.172 0.000 0.783 143 D N -1.972 118.381 120.400 -0.078 0.000 2.378 143 D HA 0.109 4.746 4.640 -0.004 0.000 0.227 143 D C 1.463 177.783 176.300 0.033 0.000 1.012 143 D CA 1.151 55.145 54.000 -0.010 0.000 0.905 143 D CB -0.705 40.098 40.800 0.005 0.000 0.895 143 D HN 0.136 nan 8.370 nan 0.000 0.532 144 G N 0.368 109.197 108.800 0.049 0.000 2.132 144 G HA2 -0.293 3.664 3.960 -0.004 0.000 0.234 144 G HA3 -0.293 3.664 3.960 -0.004 0.000 0.234 144 G C -0.039 175.023 174.900 0.271 0.000 0.989 144 G CA -0.355 44.821 45.100 0.127 0.000 0.676 144 G HN 0.347 nan 8.290 nan 0.000 0.522 145 N N -0.357 118.480 118.700 0.229 0.000 2.518 145 N HA 0.581 5.318 4.740 -0.004 0.000 0.283 145 N C 0.110 175.794 175.510 0.291 0.000 1.119 145 N CA -0.668 52.548 53.050 0.277 0.000 0.983 145 N CB 1.504 40.087 38.487 0.160 0.000 1.139 145 N HN 0.301 nan 8.380 nan 0.000 0.465 146 L N 2.956 124.348 121.223 0.283 0.000 2.416 146 L HA 0.313 4.651 4.340 -0.004 0.000 0.272 146 L C -1.010 175.823 176.870 -0.062 0.000 1.161 146 L CA 0.313 55.094 54.840 -0.098 0.000 0.845 146 L CB 0.148 42.268 42.059 0.102 0.000 1.119 146 L HN 0.445 nan 8.230 nan 0.000 0.464 147 I N 6.962 127.403 120.570 -0.216 0.000 2.382 147 I HA 0.335 4.503 4.170 -0.004 0.000 0.286 147 I C 0.147 176.223 176.117 -0.068 0.000 1.002 147 I CA -0.411 60.866 61.300 -0.038 0.000 1.135 147 I CB 1.106 39.124 38.000 0.029 0.000 1.288 147 I HN 0.672 nan 8.210 nan 0.000 0.448 148 I N 2.068 122.668 120.570 0.050 0.000 2.793 148 I HA 0.696 4.863 4.170 -0.004 0.000 0.313 148 I C 0.029 176.175 176.117 0.048 0.000 0.998 148 I CA -0.545 60.778 61.300 0.037 0.000 1.140 148 I CB 2.143 40.201 38.000 0.097 0.000 1.327 148 I HN 0.492 nan 8.210 nan 0.000 0.491 149 S N 2.108 117.803 115.700 -0.008 0.000 2.640 149 S HA 0.601 5.068 4.470 -0.004 0.000 0.320 149 S C -0.633 173.921 174.600 -0.077 0.000 1.097 149 S CA -0.257 57.910 58.200 -0.055 0.000 1.092 149 S CB 0.796 63.928 63.200 -0.114 0.000 0.988 149 S HN 0.941 nan 8.310 nan 0.000 0.470 150 T N 2.016 116.525 114.554 -0.075 0.000 2.868 150 T HA 0.432 4.779 4.350 -0.004 0.000 0.306 150 T C -0.801 173.778 174.700 -0.201 0.000 1.224 150 T CA -0.609 61.394 62.100 -0.161 0.000 1.012 150 T CB 1.452 70.170 68.868 -0.251 0.000 1.221 150 T HN 0.702 nan 8.240 nan 0.000 0.499 151 D N 1.532 121.794 120.400 -0.230 0.000 2.431 151 D HA 0.208 4.845 4.640 -0.004 0.000 0.213 151 D C 1.688 177.814 176.300 -0.290 0.000 1.130 151 D CA 0.180 54.035 54.000 -0.241 0.000 0.834 151 D CB 0.021 40.711 40.800 -0.184 0.000 0.985 151 D HN 0.517 nan 8.370 nan 0.000 0.504 152 A N 1.066 123.652 122.820 -0.390 0.000 1.927 152 A HA -0.174 4.143 4.320 -0.004 0.000 0.220 152 A C 1.780 179.090 177.584 -0.457 0.000 1.185 152 A CA 1.398 53.163 52.037 -0.453 0.000 0.639 152 A CB -0.422 18.134 19.000 -0.741 0.000 0.820 152 A HN 0.205 nan 8.150 nan 0.000 0.451 153 M N 0.106 119.398 119.600 -0.512 0.000 2.756 153 M HA 0.257 4.735 4.480 -0.004 0.000 0.320 153 M C -0.430 175.679 176.300 -0.318 0.000 1.245 153 M CA 0.266 55.320 55.300 -0.409 0.000 0.972 153 M CB 0.798 33.161 32.600 -0.396 0.000 1.327 153 M HN 0.215 nan 8.290 nan 0.000 0.505 154 Q N -0.034 119.572 119.800 -0.323 0.000 2.399 154 Q HA 0.499 4.837 4.340 -0.004 0.000 0.276 154 Q C -1.883 173.868 176.000 -0.415 0.000 1.098 154 Q CA -1.794 53.814 55.803 -0.324 0.000 0.827 154 Q CB 1.406 29.964 28.738 -0.299 0.000 1.386 154 Q HN -0.030 nan 8.270 nan 0.000 0.443 155 P HA -0.035 nan 4.420 nan 0.000 0.218 155 P C -0.213 176.470 177.300 -1.028 0.000 1.152 155 P CA 1.145 63.760 63.100 -0.808 0.000 0.826 155 P CB 0.354 31.405 31.700 -1.082 0.000 0.790 156 F N 0.065 119.662 119.950 -0.588 0.000 2.508 156 F HA 0.275 4.800 4.527 -0.004 0.000 0.325 156 F C 2.075 177.613 175.800 -0.437 0.000 1.090 156 F CA -0.687 56.960 58.000 -0.588 0.000 0.945 156 F CB 1.155 39.530 39.000 -1.042 0.000 1.156 156 F HN -0.232 nan 8.300 nan 0.000 0.463 157 S N -0.088 115.552 115.700 -0.100 0.000 2.368 157 S HA -0.184 4.283 4.470 -0.004 0.000 0.225 157 S C 1.886 176.520 174.600 0.056 0.000 1.030 157 S CA 1.737 59.940 58.200 0.006 0.000 0.999 157 S CB -0.656 62.566 63.200 0.036 0.000 0.844 157 S HN 0.574 nan 8.310 nan 0.000 0.459 158 S N 1.268 116.933 115.700 -0.058 0.000 2.465 158 S HA 0.162 4.630 4.470 -0.004 0.000 0.241 158 S C 1.005 175.289 174.600 -0.527 0.000 1.000 158 S CA 0.818 58.822 58.200 -0.326 0.000 0.964 158 S CB -0.565 62.228 63.200 -0.678 0.000 0.763 158 S HN 0.562 nan 8.310 nan 0.000 0.512 159 M N 2.897 122.235 119.600 -0.436 0.000 3.709 159 M HA 0.020 4.497 4.480 -0.004 0.000 0.197 159 M C 0.179 176.245 176.300 -0.390 0.000 1.511 159 M CA 0.043 55.101 55.300 -0.403 0.000 1.688 159 M CB -0.534 31.830 32.600 -0.393 0.000 1.109 159 M HN 0.096 nan 8.290 nan 0.000 0.561 160 T N -1.492 112.776 114.554 -0.477 0.000 3.474 160 T HA 0.193 4.540 4.350 -0.004 0.000 0.270 160 T C 0.286 174.784 174.700 -0.336 0.000 1.079 160 T CA -0.720 61.106 62.100 -0.455 0.000 1.110 160 T CB -0.852 67.606 68.868 -0.683 0.000 1.087 160 T HN 0.398 nan 8.240 nan 0.000 0.784 161 C N 3.686 122.810 119.300 -0.294 0.000 2.657 161 C HA 0.369 4.826 4.460 -0.004 0.000 0.404 161 C C 1.051 175.843 174.990 -0.330 0.000 1.291 161 C CA -0.988 57.812 59.018 -0.363 0.000 2.218 161 C CB -0.393 27.088 27.740 -0.432 0.000 2.687 161 C HN 0.765 nan 8.230 nan 0.000 0.634 162 L N 2.799 123.779 121.223 -0.404 0.000 2.326 162 L HA 0.420 4.757 4.340 -0.004 0.000 0.278 162 L C -0.791 175.857 176.870 -0.370 0.000 1.092 162 L CA 0.008 54.692 54.840 -0.260 0.000 0.810 162 L CB 0.162 42.112 42.059 -0.182 0.000 1.153 162 L HN 0.634 nan 8.230 nan 0.000 0.439 163 Y N 1.340 121.634 120.300 -0.009 0.000 2.524 163 Y HA 0.453 5.000 4.550 -0.005 0.000 0.347 163 Y C -0.146 175.827 175.900 0.122 0.000 1.005 163 Y CA -0.887 57.258 58.100 0.076 0.000 1.025 163 Y CB 2.018 40.548 38.460 0.118 0.000 1.275 163 Y HN 0.461 nan 8.280 nan 0.000 0.460 164 R N 2.078 122.760 120.500 0.303 0.000 2.207 164 R HA 0.615 4.952 4.340 -0.004 0.000 0.334 164 R C -1.555 174.864 176.300 0.197 0.000 1.013 164 R CA -0.479 55.747 56.100 0.209 0.000 0.858 164 R CB 0.597 30.990 30.300 0.155 0.000 1.094 164 R HN 0.568 nan 8.270 nan 0.000 0.457 165 V N 4.612 124.625 119.914 0.165 0.000 2.572 165 V HA 0.114 4.232 4.120 -0.004 0.000 0.291 165 V C 0.219 176.307 176.094 -0.010 0.000 1.039 165 V CA 0.322 62.640 62.300 0.031 0.000 1.055 165 V CB 0.991 32.898 31.823 0.142 0.000 0.969 165 V HN 0.835 nan 8.190 nan 0.000 0.482 166 E N 3.669 123.765 120.200 -0.174 0.000 2.266 166 E HA 0.391 4.738 4.350 -0.004 0.000 0.268 166 E C -0.360 176.184 176.600 -0.092 0.000 0.879 166 E CA -0.841 55.515 56.400 -0.074 0.000 0.762 166 E CB 1.339 31.007 29.700 -0.054 0.000 1.199 166 E HN 0.715 nan 8.360 nan 0.000 0.422 167 N N 3.183 121.876 118.700 -0.012 0.000 2.727 167 N HA -0.189 4.548 4.740 -0.004 0.000 0.249 167 N C -0.952 174.558 175.510 -0.001 0.000 1.048 167 N CA 1.125 54.172 53.050 -0.006 0.000 0.714 167 N CB -0.859 37.608 38.487 -0.033 0.000 0.959 167 N HN 0.757 nan 8.380 nan 0.000 0.544 168 D N -1.832 118.603 120.400 0.059 0.000 2.911 168 D HA -0.189 4.448 4.640 -0.004 0.000 0.227 168 D C 1.131 177.356 176.300 -0.125 0.000 1.164 168 D CA 2.340 56.365 54.000 0.043 0.000 0.782 168 D CB -1.442 39.407 40.800 0.080 0.000 1.094 168 D HN 0.934 nan 8.370 nan 0.000 0.425 169 G N -1.353 107.315 108.800 -0.221 0.000 2.168 169 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.197 169 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.197 169 G C 0.992 175.782 174.900 -0.183 0.000 0.997 169 G CA 0.163 45.070 45.100 -0.322 0.000 0.658 169 G HN 0.360 nan 8.290 nan 0.000 0.513 170 I N 0.646 121.154 120.570 -0.103 0.000 2.202 170 I HA 0.064 4.231 4.170 -0.004 0.000 0.242 170 I C 1.209 177.471 176.117 0.242 0.000 1.091 170 I CA 1.700 63.067 61.300 0.111 0.000 1.368 170 I CB -0.642 37.372 38.000 0.023 0.000 1.058 170 I HN 0.440 nan 8.210 nan 0.000 0.410 171 N N -0.709 117.954 118.700 -0.060 0.000 2.284 171 N HA 0.417 5.155 4.740 -0.004 0.000 0.289 171 N C -1.622 173.673 175.510 -0.357 0.000 1.179 171 N CA -0.439 52.653 53.050 0.069 0.000 0.774 171 N CB 1.587 40.136 38.487 0.103 0.000 1.548 171 N HN -0.184 nan 8.380 nan 0.000 0.473 172 F N 1.151 121.240 119.950 0.232 0.000 2.536 172 F HA 0.438 4.963 4.527 -0.004 0.000 0.322 172 F C -0.532 175.421 175.800 0.255 0.000 1.144 172 F CA -0.853 57.258 58.000 0.185 0.000 0.924 172 F CB 1.785 40.812 39.000 0.045 0.000 1.181 172 F HN 0.055 nan 8.300 nan 0.000 0.438 173 V N 5.366 125.503 119.914 0.370 0.000 2.370 173 V HA 0.384 4.501 4.120 -0.004 0.000 0.279 173 V C -2.052 174.223 176.094 0.302 0.000 1.029 173 V CA -1.933 60.545 62.300 0.297 0.000 0.870 173 V CB 1.302 33.233 31.823 0.181 0.000 0.984 173 V HN 0.457 nan 8.190 nan 0.000 0.451 174 P HA 0.207 nan 4.420 nan 0.000 0.276 174 P C 0.406 177.660 177.300 -0.077 0.000 1.230 174 P CA -0.088 62.965 63.100 -0.078 0.000 0.776 174 P CB 1.372 33.015 31.700 -0.096 0.000 0.888 175 L N 1.928 123.053 121.223 -0.162 0.000 2.558 175 L HA 0.034 4.371 4.340 -0.004 0.000 0.225 175 L C 0.351 177.162 176.870 -0.099 0.000 1.128 175 L CA 0.180 54.977 54.840 -0.072 0.000 0.868 175 L CB -1.118 40.912 42.059 -0.048 0.000 1.006 175 L HN 0.432 nan 8.230 nan 0.000 0.454 176 N N 0.453 119.049 118.700 -0.173 0.000 2.707 176 N HA -0.228 4.509 4.740 -0.004 0.000 0.253 176 N C 0.444 175.872 175.510 -0.137 0.000 0.998 176 N CA 0.279 53.247 53.050 -0.137 0.000 0.751 176 N CB -0.987 37.483 38.487 -0.029 0.000 0.920 176 N HN 0.341 nan 8.380 nan 0.000 0.539 177 L N -0.938 120.124 121.223 -0.268 0.000 2.693 177 L HA 0.326 4.663 4.340 -0.004 0.000 0.235 177 L C 1.390 177.927 176.870 -0.555 0.000 1.127 177 L CA 0.297 54.936 54.840 -0.335 0.000 0.914 177 L CB 0.020 41.884 42.059 -0.325 0.000 1.193 177 L HN 0.504 nan 8.230 nan 0.000 0.502 178 G N 1.079 109.367 108.800 -0.854 0.000 2.710 178 G HA2 -0.159 3.798 3.960 -0.004 0.000 0.668 178 G HA3 -0.159 3.798 3.960 -0.004 0.000 0.668 178 G C -2.809 171.584 174.900 -0.845 0.000 1.320 178 G CA -0.971 43.175 45.100 -1.590 0.000 0.860 178 G HN -0.030 nan 8.290 nan 0.000 0.538 179 P HA 0.473 nan 4.420 nan 0.000 0.268 179 P C -0.104 177.023 177.300 -0.289 0.000 1.204 179 P CA 1.087 63.946 63.100 -0.401 0.000 0.768 179 P CB 1.238 32.776 31.700 -0.269 0.000 0.842 180 A N 2.481 125.165 122.820 -0.227 0.000 2.594 180 A HA 0.580 4.898 4.320 -0.004 0.000 0.295 180 A C 0.561 178.104 177.584 -0.068 0.000 1.071 180 A CA -0.348 51.614 52.037 -0.126 0.000 0.685 180 A CB 0.989 19.901 19.000 -0.147 0.000 1.285 180 A HN 0.385 nan 8.150 nan 0.000 0.405 181 T N 0.137 114.720 114.554 0.048 0.000 3.018 181 T HA 0.244 4.591 4.350 -0.004 0.000 0.246 181 T C 0.003 174.686 174.700 -0.027 0.000 1.026 181 T CA 1.227 63.383 62.100 0.094 0.000 1.081 181 T CB -0.171 68.896 68.868 0.332 0.000 0.970 181 T HN 0.715 nan 8.240 nan 0.000 0.475 182 H N -0.453 118.633 119.070 0.026 0.000 2.768 182 H HA 0.701 5.255 4.556 -0.004 0.000 0.371 182 H C -1.389 173.947 175.328 0.013 0.000 1.151 182 H CA -1.009 55.060 56.048 0.034 0.000 1.165 182 H CB 1.877 31.672 29.762 0.055 0.000 1.722 182 H HN 0.054 nan 8.280 nan 0.000 0.543 183 I N 3.077 123.726 120.570 0.132 0.000 2.512 183 I HA 0.411 4.579 4.170 -0.004 0.000 0.287 183 I C -1.885 174.286 176.117 0.091 0.000 1.069 183 I CA -0.279 61.050 61.300 0.050 0.000 1.056 183 I CB 0.638 38.658 38.000 0.034 0.000 1.229 183 I HN 0.486 nan 8.210 nan 0.000 0.429 184 L N 6.609 127.825 121.223 -0.012 0.000 2.354 184 L HA 0.616 4.953 4.340 -0.004 0.000 0.264 184 L C -1.354 175.441 176.870 -0.124 0.000 1.008 184 L CA -0.747 54.151 54.840 0.096 0.000 0.819 184 L CB 1.953 44.095 42.059 0.138 0.000 1.339 184 L HN 0.384 nan 8.230 nan 0.000 0.420 185 F N 1.030 121.056 119.950 0.126 0.000 2.449 185 F HA 0.687 5.211 4.527 -0.005 0.000 0.342 185 F C 0.173 176.018 175.800 0.075 0.000 1.127 185 F CA -0.596 57.468 58.000 0.107 0.000 0.975 185 F CB 1.977 41.042 39.000 0.109 0.000 1.146 185 F HN 0.393 nan 8.300 nan 0.000 0.444 186 A N 2.648 125.564 122.820 0.161 0.000 2.332 186 A HA 0.569 4.887 4.320 -0.004 0.000 0.300 186 A C -0.399 177.246 177.584 0.102 0.000 1.153 186 A CA -0.733 51.355 52.037 0.086 0.000 0.764 186 A CB 0.407 19.423 19.000 0.026 0.000 1.174 186 A HN 0.856 nan 8.150 nan 0.000 0.467 187 D N 2.121 122.586 120.400 0.107 0.000 2.708 187 D HA -0.231 4.406 4.640 -0.004 0.000 0.236 187 D C 1.111 177.486 176.300 0.125 0.000 1.146 187 D CA 2.183 56.261 54.000 0.131 0.000 0.662 187 D CB -1.341 39.557 40.800 0.163 0.000 1.059 187 D HN 2.009 nan 8.370 nan 0.000 0.428 188 G N -0.312 108.583 108.800 0.158 0.000 2.184 188 G HA2 -0.380 3.577 3.960 -0.004 0.000 0.264 188 G HA3 -0.380 3.577 3.960 -0.004 0.000 0.264 188 G C 0.366 175.364 174.900 0.162 0.000 0.975 188 G CA 0.630 45.832 45.100 0.171 0.000 0.642 188 G HN 0.527 nan 8.290 nan 0.000 0.536 189 R N 0.094 120.668 120.500 0.122 0.000 2.486 189 R HA 0.565 4.902 4.340 -0.004 0.000 0.286 189 R C 0.203 176.497 176.300 -0.011 0.000 0.999 189 R CA -0.787 55.334 56.100 0.036 0.000 0.993 189 R CB 0.985 31.290 30.300 0.008 0.000 1.084 189 R HN 0.209 nan 8.270 nan 0.000 0.487 190 R N 1.458 121.909 120.500 -0.081 0.000 2.265 190 R HA 0.311 4.649 4.340 -0.004 0.000 0.319 190 R C -0.591 175.700 176.300 -0.015 0.000 1.006 190 R CA -0.594 55.396 56.100 -0.184 0.000 0.880 190 R CB 1.384 31.696 30.300 0.020 0.000 1.077 190 R HN 0.240 nan 8.270 nan 0.000 0.454 191 V N 5.618 125.475 119.914 -0.095 0.000 2.435 191 V HA 0.431 4.548 4.120 -0.004 0.000 0.290 191 V C 0.241 176.371 176.094 0.059 0.000 1.030 191 V CA -0.595 61.733 62.300 0.047 0.000 0.881 191 V CB 1.642 33.486 31.823 0.036 0.000 0.983 191 V HN 0.635 nan 8.190 nan 0.000 0.445 192 I N 3.614 124.276 120.570 0.155 0.000 2.436 192 I HA 0.556 4.723 4.170 -0.004 0.000 0.289 192 I C 0.627 176.819 176.117 0.126 0.000 1.010 192 I CA -0.396 60.965 61.300 0.102 0.000 1.098 192 I CB 1.992 40.008 38.000 0.026 0.000 1.266 192 I HN 0.730 nan 8.210 nan 0.000 0.434 193 G N 6.038 114.898 108.800 0.100 0.000 2.347 193 G HA2 0.493 4.450 3.960 -0.004 0.000 0.314 193 G HA3 0.493 4.450 3.960 -0.004 0.000 0.314 193 G C -0.376 174.580 174.900 0.094 0.000 1.126 193 G CA -0.554 44.598 45.100 0.087 0.000 0.929 193 G HN 0.542 nan 8.290 nan 0.000 0.441 194 R N 2.173 122.722 120.500 0.081 0.000 2.207 194 R HA 0.192 4.530 4.340 -0.004 0.000 0.334 194 R C 0.246 176.579 176.300 0.055 0.000 1.013 194 R CA -0.370 55.775 56.100 0.075 0.000 0.858 194 R CB 0.554 30.914 30.300 0.100 0.000 1.094 194 R HN 0.867 nan 8.270 nan 0.000 0.457 195 N N 0.350 119.095 118.700 0.076 0.000 2.735 195 N HA -0.190 4.547 4.740 -0.004 0.000 0.248 195 N C -0.231 175.043 175.510 -0.394 0.000 1.083 195 N CA 0.895 53.872 53.050 -0.122 0.000 0.703 195 N CB -0.874 37.630 38.487 0.029 0.000 1.005 195 N HN 0.671 nan 8.380 nan 0.000 0.550 196 T N -2.119 112.351 114.554 -0.140 0.000 3.330 196 T HA 0.281 4.628 4.350 -0.004 0.000 0.249 196 T C 0.319 175.059 174.700 0.066 0.000 0.980 196 T CA -0.586 61.436 62.100 -0.131 0.000 0.920 196 T CB -0.740 68.040 68.868 -0.146 0.000 1.065 196 T HN 0.362 nan 8.240 nan 0.000 0.588 197 F N 0.058 120.237 119.950 0.381 0.000 2.380 197 F HA 0.723 5.247 4.527 -0.004 0.000 0.321 197 F C 0.338 176.389 175.800 0.418 0.000 1.103 197 F CA -1.897 56.330 58.000 0.378 0.000 1.067 197 F CB 0.491 39.687 39.000 0.327 0.000 1.265 197 F HN -0.182 nan 8.300 nan 0.000 0.517 198 E N 1.304 121.852 120.200 0.580 0.000 2.415 198 E HA 0.165 4.513 4.350 -0.004 0.000 0.262 198 E C -0.374 176.521 176.600 0.491 0.000 1.038 198 E CA 0.112 56.798 56.400 0.477 0.000 0.921 198 E CB 1.000 30.931 29.700 0.386 0.000 0.950 198 E HN 0.674 nan 8.360 nan 0.000 0.438 199 L N 4.193 125.600 121.223 0.308 0.000 2.732 199 L HA 0.145 4.483 4.340 -0.004 0.000 0.246 199 L C -1.451 175.428 176.870 0.015 0.000 1.407 199 L CA -1.260 53.640 54.840 0.100 0.000 0.861 199 L CB 0.987 42.898 42.059 -0.247 0.000 1.161 199 L HN 0.254 nan 8.230 nan 0.000 0.510 200 P HA -0.228 nan 4.420 nan 0.000 0.216 200 P C 1.242 178.579 177.300 0.060 0.000 1.150 200 P CA 1.521 64.666 63.100 0.076 0.000 0.837 200 P CB -0.132 31.653 31.700 0.141 0.000 0.786 201 H N -3.995 115.158 119.070 0.138 0.000 2.546 201 H HA -0.046 4.507 4.556 -0.004 0.000 0.277 201 H C 0.046 175.520 175.328 0.243 0.000 1.004 201 H CA 0.336 56.479 56.048 0.159 0.000 1.231 201 H CB -0.554 29.321 29.762 0.189 0.000 1.382 201 H HN 0.215 nan 8.280 nan 0.000 0.580 202 W N 2.997 124.049 121.300 -0.413 0.000 2.162 202 W HA 0.351 5.008 4.660 -0.005 0.000 0.292 202 W C -0.992 175.461 176.519 -0.111 0.000 0.998 202 W CA -1.949 55.260 57.345 -0.226 0.000 1.570 202 W CB 0.450 29.708 29.460 -0.337 0.000 1.644 202 W HN -0.143 nan 8.180 nan 0.000 0.360 203 K N 1.036 121.582 120.400 0.244 0.000 2.355 203 K HA 0.414 4.731 4.320 -0.004 0.000 0.270 203 K C 1.151 177.898 176.600 0.244 0.000 1.003 203 K CA 0.826 57.192 56.287 0.131 0.000 0.957 203 K CB 0.583 33.063 32.500 -0.033 0.000 0.939 203 K HN 0.554 nan 8.250 nan 0.000 0.482 204 G N 1.652 110.563 108.800 0.185 0.000 2.153 204 G HA2 -0.319 3.638 3.960 -0.004 0.000 0.252 204 G HA3 -0.319 3.638 3.960 -0.004 0.000 0.252 204 G C -0.264 174.624 174.900 -0.021 0.000 0.994 204 G CA 0.175 45.355 45.100 0.133 0.000 0.698 204 G HN 0.658 nan 8.290 nan 0.000 0.521 205 Y N 1.112 121.176 120.300 -0.392 0.000 2.717 205 Y HA 0.379 4.926 4.550 -0.004 0.000 0.330 205 Y C 1.367 177.006 175.900 -0.436 0.000 1.217 205 Y CA 0.231 57.820 58.100 -0.851 0.000 1.506 205 Y CB 0.405 38.198 38.460 -1.112 0.000 1.268 205 Y HN 0.246 nan 8.280 nan 0.000 0.561 206 R N 3.776 123.648 120.500 -1.046 0.000 2.590 206 R HA 0.272 4.609 4.340 -0.004 0.000 0.410 206 R C 0.624 176.409 176.300 -0.858 0.000 1.010 206 R CA 0.097 55.767 56.100 -0.718 0.000 1.155 206 R CB 0.526 30.665 30.300 -0.268 0.000 1.455 206 R HN 0.802 nan 8.270 nan 0.000 0.567 207 G N -0.516 107.277 108.800 -1.678 0.000 2.621 207 G HA2 0.268 4.226 3.960 -0.004 0.000 0.271 207 G HA3 0.268 4.226 3.960 -0.004 0.000 0.271 207 G C 0.971 175.558 174.900 -0.522 0.000 1.236 207 G CA -0.137 44.423 45.100 -0.900 0.000 0.958 207 G HN 0.157 nan 8.290 nan 0.000 0.512 208 G N -1.538 107.131 108.800 -0.219 0.000 2.498 208 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.219 208 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.219 208 G C 1.208 176.104 174.900 -0.007 0.000 1.119 208 G CA 1.411 46.434 45.100 -0.129 0.000 0.766 208 G HN 0.593 nan 8.290 nan 0.000 0.552 209 T N 0.781 115.469 114.554 0.224 0.000 3.163 209 T HA 0.161 4.509 4.350 -0.004 0.000 0.252 209 T C 1.057 175.950 174.700 0.321 0.000 1.056 209 T CA -0.602 61.648 62.100 0.251 0.000 0.947 209 T CB 0.008 69.138 68.868 0.436 0.000 1.016 209 T HN 0.558 nan 8.240 nan 0.000 0.554 210 R N 1.316 121.994 120.500 0.297 0.000 2.734 210 R HA 0.382 4.719 4.340 -0.004 0.000 0.266 210 R C 0.569 176.990 176.300 0.202 0.000 1.044 210 R CA -0.427 55.866 56.100 0.322 0.000 1.128 210 R CB 0.007 30.308 30.300 0.002 0.000 1.010 210 R HN 0.113 nan 8.270 nan 0.000 0.461 211 G N 1.916 110.867 108.800 0.252 0.000 2.380 211 G HA2 0.139 4.097 3.960 -0.004 0.000 0.242 211 G HA3 0.139 4.097 3.960 -0.004 0.000 0.242 211 G C -0.699 174.108 174.900 -0.154 0.000 1.298 211 G CA -0.484 44.553 45.100 -0.105 0.000 0.878 211 G HN 0.579 nan 8.290 nan 0.000 0.542 212 K N 1.139 121.483 120.400 -0.093 0.000 2.477 212 K HA 0.516 4.833 4.320 -0.004 0.000 0.255 212 K C -0.961 175.627 176.600 -0.020 0.000 0.952 212 K CA -0.776 55.458 56.287 -0.089 0.000 0.826 212 K CB 2.718 35.227 32.500 0.016 0.000 1.331 212 K HN 0.373 nan 8.250 nan 0.000 0.437 213 I N 1.323 121.838 120.570 -0.092 0.000 2.436 213 I HA 0.397 4.564 4.170 -0.004 0.000 0.289 213 I C -1.085 175.045 176.117 0.022 0.000 1.010 213 I CA -0.769 60.533 61.300 0.004 0.000 1.098 213 I CB 1.012 38.955 38.000 -0.095 0.000 1.266 213 I HN 0.406 nan 8.210 nan 0.000 0.434 214 W N 6.417 127.729 121.300 0.019 0.000 2.576 214 W HA 0.776 5.433 4.660 -0.004 0.000 0.360 214 W C -0.358 176.251 176.519 0.151 0.000 1.109 214 W CA -0.580 56.827 57.345 0.102 0.000 1.237 214 W CB 1.235 30.787 29.460 0.152 0.000 1.369 214 W HN 0.228 nan 8.180 nan 0.000 0.609 215 I N 0.474 121.291 120.570 0.411 0.000 2.913 215 I HA 0.233 4.400 4.170 -0.004 0.000 0.302 215 I C -0.714 175.437 176.117 0.058 0.000 1.246 215 I CA -0.941 60.495 61.300 0.227 0.000 1.010 215 I CB 1.968 40.021 38.000 0.088 0.000 1.259 215 I HN 0.422 nan 8.210 nan 0.000 0.434 216 E N 3.946 123.989 120.200 -0.260 0.000 2.343 216 E HA 0.400 4.748 4.350 -0.004 0.000 0.269 216 E C -0.225 176.206 176.600 -0.282 0.000 1.047 216 E CA -0.136 55.854 56.400 -0.684 0.000 0.874 216 E CB 1.320 30.549 29.700 -0.785 0.000 1.033 216 E HN 0.493 nan 8.360 nan 0.000 0.409 217 V N 0.501 120.265 119.914 -0.249 0.000 3.359 217 V HA 0.195 4.313 4.120 -0.004 0.000 0.204 217 V C 1.055 177.091 176.094 -0.097 0.000 1.410 217 V CA 0.191 62.421 62.300 -0.117 0.000 1.303 217 V CB -0.330 31.454 31.823 -0.065 0.000 1.198 217 V HN 0.582 nan 8.190 nan 0.000 0.531 218 N N 1.270 119.904 118.700 -0.110 0.000 2.416 218 N HA 0.144 4.881 4.740 -0.004 0.000 0.215 218 N C 0.607 176.078 175.510 -0.064 0.000 1.208 218 N CA 0.850 53.856 53.050 -0.073 0.000 0.834 218 N CB -0.468 37.977 38.487 -0.070 0.000 1.072 218 N HN 0.564 nan 8.380 nan 0.000 0.472 219 S N -2.418 113.235 115.700 -0.079 0.000 3.270 219 S HA -0.182 4.285 4.470 -0.004 0.000 0.293 219 S C 0.902 175.482 174.600 -0.033 0.000 1.278 219 S CA 1.147 59.320 58.200 -0.045 0.000 1.038 219 S CB -1.560 61.635 63.200 -0.009 0.000 1.218 219 S HN 0.758 nan 8.310 nan 0.000 0.659 220 G N -1.265 107.492 108.800 -0.072 0.000 4.476 220 G HA2 0.476 4.433 3.960 -0.004 0.000 0.169 220 G HA3 0.476 4.433 3.960 -0.004 0.000 0.169 220 G C -0.213 174.716 174.900 0.048 0.000 0.802 220 G CA 0.534 45.646 45.100 0.021 0.000 0.782 220 G HN 1.123 nan 8.290 nan 0.000 0.461 221 A N 0.176 122.934 122.820 -0.103 0.000 2.320 221 A HA 0.893 5.210 4.320 -0.004 0.000 0.334 221 A C -1.284 176.230 177.584 -0.117 0.000 1.147 221 A CA -0.499 51.484 52.037 -0.089 0.000 0.820 221 A CB 1.145 20.021 19.000 -0.207 0.000 1.218 221 A HN 0.208 nan 8.150 nan 0.000 0.482 222 F N 0.342 120.453 119.950 0.268 0.000 2.538 222 F HA 0.643 5.168 4.527 -0.004 0.000 0.325 222 F C 0.374 176.475 175.800 0.502 0.000 1.066 222 F CA -0.483 57.765 58.000 0.414 0.000 0.946 222 F CB 2.304 41.593 39.000 0.482 0.000 1.199 222 F HN 0.580 nan 8.300 nan 0.000 0.473 223 K N 2.418 123.133 120.400 0.524 0.000 2.427 223 K HA 0.370 4.687 4.320 -0.004 0.000 0.252 223 K C -1.163 175.374 176.600 -0.105 0.000 0.931 223 K CA -0.858 55.562 56.287 0.222 0.000 0.793 223 K CB 1.909 34.447 32.500 0.064 0.000 1.211 223 K HN 0.673 nan 8.250 nan 0.000 0.426 224 K N 5.028 124.946 120.400 -0.803 0.000 2.379 224 K HA 0.111 4.428 4.320 -0.004 0.000 0.284 224 K C 0.782 177.056 176.600 -0.544 0.000 1.044 224 K CA 0.014 55.536 56.287 -1.275 0.000 0.974 224 K CB 0.301 31.844 32.500 -1.596 0.000 0.962 224 K HN 0.703 nan 8.250 nan 0.000 0.474 225 I N 0.677 121.014 120.570 -0.388 0.000 4.403 225 I HA 0.185 4.353 4.170 -0.004 0.000 0.331 225 I C -0.732 175.264 176.117 -0.201 0.000 1.327 225 I CA -0.567 60.604 61.300 -0.216 0.000 1.175 225 I CB 1.146 39.082 38.000 -0.106 0.000 1.165 225 I HN 0.068 nan 8.210 nan 0.000 0.413 226 V N 2.672 122.429 119.914 -0.261 0.000 2.445 226 V HA 0.426 4.543 4.120 -0.004 0.000 0.283 226 V C -1.462 174.458 176.094 -0.291 0.000 1.014 226 V CA -0.207 61.930 62.300 -0.272 0.000 0.852 226 V CB 1.407 33.010 31.823 -0.367 0.000 1.021 226 V HN 0.213 nan 8.190 nan 0.000 0.435 227 D N 4.931 125.185 120.400 -0.245 0.000 2.552 227 D HA 0.401 5.039 4.640 -0.004 0.000 0.285 227 D C -0.088 176.107 176.300 -0.175 0.000 1.206 227 D CA -0.240 53.634 54.000 -0.209 0.000 0.826 227 D CB 0.826 41.507 40.800 -0.200 0.000 1.179 227 D HN 0.386 nan 8.370 nan 0.000 0.508 228 M N 0.025 119.508 119.600 -0.195 0.000 2.055 228 M HA 0.098 4.575 4.480 -0.004 0.000 0.279 228 M C 2.037 178.256 176.300 -0.135 0.000 1.236 228 M CA -0.092 55.112 55.300 -0.159 0.000 1.074 228 M CB 0.993 33.483 32.600 -0.182 0.000 1.394 228 M HN 0.210 nan 8.290 nan 0.000 0.492 229 S N -1.326 114.309 115.700 -0.109 0.000 2.406 229 S HA -0.040 4.428 4.470 -0.004 0.000 0.228 229 S C 0.824 175.347 174.600 -0.128 0.000 1.020 229 S CA 0.951 59.094 58.200 -0.095 0.000 0.965 229 S CB -0.735 62.428 63.200 -0.061 0.000 0.798 229 S HN 0.848 nan 8.310 nan 0.000 0.488 230 T N -1.098 113.384 114.554 -0.120 0.000 2.910 230 T HA 0.461 4.809 4.350 -0.004 0.000 0.279 230 T C -0.295 174.359 174.700 -0.077 0.000 0.989 230 T CA -0.723 61.312 62.100 -0.108 0.000 0.968 230 T CB 0.564 69.404 68.868 -0.047 0.000 1.135 230 T HN 0.342 nan 8.240 nan 0.000 0.562 231 H N -0.600 118.400 119.070 -0.116 0.000 2.848 231 H HA 0.480 5.033 4.556 -0.004 0.000 0.341 231 H C -0.840 174.447 175.328 -0.068 0.000 1.060 231 H CA -0.055 55.958 56.048 -0.058 0.000 1.444 231 H CB 0.130 29.922 29.762 0.050 0.000 1.446 231 H HN 0.477 nan 8.280 nan 0.000 0.583 232 V N 5.505 125.026 119.914 -0.656 0.000 2.495 232 V HA 0.422 4.540 4.120 -0.004 0.000 0.298 232 V C -0.317 175.334 176.094 -0.739 0.000 1.031 232 V CA -0.203 61.749 62.300 -0.580 0.000 0.871 232 V CB 1.379 32.836 31.823 -0.610 0.000 0.988 232 V HN 1.021 nan 8.190 nan 0.000 0.432 233 S N 1.930 117.406 115.700 -0.372 0.000 2.661 233 S HA 0.637 5.104 4.470 -0.004 0.000 0.285 233 S C -0.108 174.450 174.600 -0.071 0.000 1.138 233 S CA -0.365 57.707 58.200 -0.213 0.000 0.855 233 S CB 1.769 64.960 63.200 -0.015 0.000 1.136 233 S HN 1.010 nan 8.310 nan 0.000 0.484 234 S N 1.870 117.520 115.700 -0.083 0.000 3.405 234 S HA -0.078 4.389 4.470 -0.004 0.000 0.373 234 S C -2.225 172.341 174.600 -0.056 0.000 0.939 234 S CA 0.704 58.880 58.200 -0.040 0.000 1.295 234 S CB -1.857 61.422 63.200 0.133 0.000 0.919 234 S HN 0.775 nan 8.310 nan 0.000 0.535 235 P HA 0.509 nan 4.420 nan 0.000 0.275 235 P C -0.048 177.315 177.300 0.105 0.000 1.228 235 P CA -0.286 62.810 63.100 -0.006 0.000 0.786 235 P CB 1.323 32.966 31.700 -0.096 0.000 0.927 236 V N -0.142 119.892 119.914 0.201 0.000 3.216 236 V HA 0.617 4.734 4.120 -0.004 0.000 0.302 236 V C -0.789 175.461 176.094 0.259 0.000 1.286 236 V CA -1.068 61.366 62.300 0.223 0.000 1.048 236 V CB 2.090 34.042 31.823 0.215 0.000 1.081 236 V HN 0.333 nan 8.190 nan 0.000 0.442 237 I N 1.426 122.131 120.570 0.225 0.000 2.436 237 I HA 0.678 4.846 4.170 -0.004 0.000 0.289 237 I C -1.125 175.103 176.117 0.185 0.000 1.010 237 I CA -0.988 60.446 61.300 0.223 0.000 1.098 237 I CB 2.208 40.296 38.000 0.146 0.000 1.266 237 I HN 0.458 nan 8.210 nan 0.000 0.434 238 V N 5.640 125.696 119.914 0.236 0.000 2.409 238 V HA 0.687 4.804 4.120 -0.004 0.000 0.290 238 V C 0.703 176.902 176.094 0.175 0.000 1.017 238 V CA 0.171 62.551 62.300 0.134 0.000 0.841 238 V CB 0.682 32.497 31.823 -0.014 0.000 1.003 238 V HN 1.149 nan 8.190 nan 0.000 0.426 239 G N 4.595 113.457 108.800 0.102 0.000 2.559 239 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.282 239 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.282 239 G C 0.156 175.072 174.900 0.028 0.000 1.177 239 G CA 0.764 45.947 45.100 0.139 0.000 0.960 239 G HN 0.856 nan 8.290 nan 0.000 0.540 240 H N 1.574 120.720 119.070 0.126 0.000 2.562 240 H HA 0.550 5.104 4.556 -0.004 0.000 0.249 240 H C 0.701 176.093 175.328 0.107 0.000 1.195 240 H CA -0.131 55.981 56.048 0.108 0.000 0.938 240 H CB 0.414 30.224 29.762 0.079 0.000 1.891 240 H HN 0.436 nan 8.280 nan 0.000 0.595 241 R N 0.385 121.000 120.500 0.191 0.000 2.744 241 R HA 0.545 4.882 4.340 -0.004 0.000 0.279 241 R C -0.915 175.464 176.300 0.131 0.000 0.977 241 R CA -0.915 55.253 56.100 0.114 0.000 0.906 241 R CB 2.555 32.882 30.300 0.045 0.000 1.197 241 R HN 0.092 nan 8.270 nan 0.000 0.463 242 I N 2.793 123.384 120.570 0.035 0.000 2.330 242 I HA 0.289 4.457 4.170 -0.004 0.000 0.289 242 I C -0.887 175.232 176.117 0.003 0.000 1.001 242 I CA -0.628 60.757 61.300 0.143 0.000 1.193 242 I CB 0.739 38.858 38.000 0.199 0.000 1.345 242 I HN 0.364 nan 8.210 nan 0.000 0.461 243 Y N 6.877 127.219 120.300 0.070 0.000 2.361 243 Y HA 0.641 5.188 4.550 -0.005 0.000 0.332 243 Y C -0.036 175.873 175.900 0.016 0.000 1.101 243 Y CA -0.577 57.461 58.100 -0.104 0.000 1.137 243 Y CB 1.288 39.688 38.460 -0.100 0.000 1.207 243 Y HN 0.457 nan 8.280 nan 0.000 0.463 244 F N -0.381 119.632 119.950 0.105 0.000 2.831 244 F HA 0.808 5.333 4.527 -0.004 0.000 0.318 244 F C -1.887 173.945 175.800 0.054 0.000 1.174 244 F CA -1.938 56.082 58.000 0.032 0.000 0.918 244 F CB 0.900 39.874 39.000 -0.044 0.000 1.364 244 F HN 0.162 nan 8.300 nan 0.000 0.475 245 I N 0.661 121.443 120.570 0.353 0.000 2.603 245 I HA 0.750 4.917 4.170 -0.004 0.000 0.300 245 I C -0.460 175.819 176.117 0.270 0.000 1.017 245 I CA -0.729 60.726 61.300 0.258 0.000 1.098 245 I CB 2.230 40.324 38.000 0.157 0.000 1.279 245 I HN 0.864 nan 8.210 nan 0.000 0.437 246 T N 1.450 116.145 114.554 0.234 0.000 2.827 246 T HA 0.211 4.558 4.350 -0.004 0.000 0.328 246 T C -1.721 173.056 174.700 0.128 0.000 1.598 246 T CA -0.629 61.539 62.100 0.114 0.000 1.043 246 T CB 1.355 70.207 68.868 -0.026 0.000 1.447 246 T HN 0.781 nan 8.240 nan 0.000 0.491 247 D N 2.444 122.908 120.400 0.107 0.000 2.670 247 D HA 0.143 4.780 4.640 -0.004 0.000 0.255 247 D C 1.411 177.764 176.300 0.088 0.000 1.286 247 D CA -0.422 53.644 54.000 0.109 0.000 0.830 247 D CB -0.199 40.697 40.800 0.161 0.000 1.065 247 D HN 0.388 nan 8.370 nan 0.000 0.486 248 I N 0.723 121.302 120.570 0.016 0.000 2.381 248 I HA -0.268 3.900 4.170 -0.004 0.000 0.255 248 I C 0.524 176.670 176.117 0.048 0.000 1.140 248 I CA 1.596 62.888 61.300 -0.014 0.000 1.404 248 I CB 0.161 38.088 38.000 -0.121 0.000 1.075 248 I HN -0.129 nan 8.210 nan 0.000 0.433 249 D N 0.020 120.484 120.400 0.107 0.000 2.349 249 D HA 0.282 4.919 4.640 -0.004 0.000 0.214 249 D C 1.565 177.941 176.300 0.125 0.000 1.063 249 D CA 0.942 55.012 54.000 0.116 0.000 0.847 249 D CB 0.456 41.343 40.800 0.145 0.000 0.933 249 D HN 0.471 nan 8.370 nan 0.000 0.513 250 G N 0.030 108.917 108.800 0.146 0.000 2.184 250 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.206 250 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.206 250 G C 0.069 175.133 174.900 0.275 0.000 0.995 250 G CA -0.292 44.921 45.100 0.188 0.000 0.651 250 G HN 0.294 nan 8.290 nan 0.000 0.511 251 F N 0.252 120.195 119.950 -0.012 0.000 2.678 251 F HA 0.572 5.097 4.527 -0.004 0.000 0.308 251 F C 0.398 175.980 175.800 -0.363 0.000 1.118 251 F CA -0.100 57.749 58.000 -0.251 0.000 0.959 251 F CB 1.152 40.045 39.000 -0.178 0.000 1.305 251 F HN 0.398 nan 8.300 nan 0.000 0.443 252 G N 3.742 111.738 108.800 -1.340 0.000 2.334 252 G HA2 0.493 4.450 3.960 -0.004 0.000 0.261 252 G HA3 0.493 4.450 3.960 -0.004 0.000 0.261 252 G C -1.166 173.737 174.900 0.005 0.000 1.257 252 G CA -0.122 44.638 45.100 -0.567 0.000 0.935 252 G HN 0.413 nan 8.290 nan 0.000 0.480 253 Q N 1.099 120.976 119.800 0.128 0.000 2.495 253 Q HA 0.400 4.737 4.340 -0.004 0.000 0.287 253 Q C -0.460 175.554 176.000 0.023 0.000 1.078 253 Q CA -0.778 55.057 55.803 0.052 0.000 0.793 253 Q CB 2.482 31.146 28.738 -0.124 0.000 1.459 253 Q HN 0.531 nan 8.270 nan 0.000 0.422 254 I N 1.676 122.120 120.570 -0.211 0.000 2.365 254 I HA 0.310 4.478 4.170 -0.004 0.000 0.291 254 I C -0.708 175.235 176.117 -0.291 0.000 1.004 254 I CA -0.309 60.851 61.300 -0.233 0.000 1.311 254 I CB 0.399 38.119 38.000 -0.467 0.000 1.401 254 I HN 0.431 nan 8.210 nan 0.000 0.491 255 Y N 3.316 123.391 120.300 -0.374 0.000 2.686 255 Y HA 0.664 5.211 4.550 -0.004 0.000 0.330 255 Y C 0.271 175.696 175.900 -0.791 0.000 1.082 255 Y CA -0.724 57.106 58.100 -0.450 0.000 1.158 255 Y CB 1.956 40.075 38.460 -0.569 0.000 1.333 255 Y HN 0.575 nan 8.280 nan 0.000 0.519 256 S N -0.700 114.706 115.700 -0.491 0.000 2.587 256 S HA 0.799 5.266 4.470 -0.004 0.000 0.269 256 S C -1.019 173.423 174.600 -0.263 0.000 1.154 256 S CA -0.278 57.520 58.200 -0.670 0.000 0.824 256 S CB 1.653 64.122 63.200 -1.218 0.000 1.118 256 S HN 1.069 nan 8.310 nan 0.000 0.462 257 T N -1.445 113.027 114.554 -0.137 0.000 2.731 257 T HA 0.720 5.067 4.350 -0.004 0.000 0.300 257 T C -1.289 173.415 174.700 0.007 0.000 1.283 257 T CA -0.439 61.663 62.100 0.004 0.000 1.005 257 T CB 0.783 69.722 68.868 0.118 0.000 1.420 257 T HN 0.866 nan 8.240 nan 0.000 0.503 258 D N 0.236 120.656 120.400 0.034 0.000 2.451 258 D HA 0.282 4.920 4.640 -0.004 0.000 0.259 258 D C 1.149 177.488 176.300 0.066 0.000 1.201 258 D CA -1.059 52.975 54.000 0.057 0.000 1.028 258 D CB 0.129 40.962 40.800 0.054 0.000 1.095 258 D HN 0.548 nan 8.370 nan 0.000 0.539 259 L N -0.683 120.590 121.223 0.083 0.000 2.821 259 L HA 0.047 4.384 4.340 -0.004 0.000 0.254 259 L C 0.518 177.414 176.870 0.044 0.000 1.151 259 L CA 0.665 55.550 54.840 0.074 0.000 0.937 259 L CB -0.608 41.510 42.059 0.097 0.000 1.141 259 L HN 0.386 nan 8.230 nan 0.000 0.425 260 D N -0.307 120.112 120.400 0.031 0.000 2.520 260 D HA 0.126 4.763 4.640 -0.004 0.000 0.223 260 D C 1.413 177.708 176.300 -0.010 0.000 1.186 260 D CA 0.712 54.716 54.000 0.006 0.000 0.821 260 D CB 1.191 41.995 40.800 0.006 0.000 1.072 260 D HN 0.267 nan 8.370 nan 0.000 0.518 261 G N 1.905 110.709 108.800 0.006 0.000 2.153 261 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.252 261 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.252 261 G C 0.469 175.372 174.900 0.005 0.000 0.994 261 G CA 0.448 45.548 45.100 -0.001 0.000 0.698 261 G HN 0.136 nan 8.290 nan 0.000 0.521 262 K N -0.079 120.328 120.400 0.012 0.000 2.245 262 K HA 0.536 4.853 4.320 -0.004 0.000 0.234 262 K C 0.461 177.070 176.600 0.016 0.000 1.021 262 K CA -0.310 55.981 56.287 0.008 0.000 0.898 262 K CB 0.730 33.231 32.500 0.002 0.000 1.163 262 K HN 0.106 nan 8.250 nan 0.000 0.459 263 D N 0.962 121.368 120.400 0.009 0.000 2.718 263 D HA -0.173 4.465 4.640 -0.004 0.000 0.242 263 D C -0.835 175.469 176.300 0.006 0.000 1.123 263 D CA 0.175 54.179 54.000 0.006 0.000 0.690 263 D CB -0.917 39.887 40.800 0.008 0.000 1.059 263 D HN 0.381 nan 8.370 nan 0.000 0.429 264 L N 1.032 122.266 121.223 0.019 0.000 2.540 264 L HA 0.260 4.597 4.340 -0.004 0.000 0.276 264 L C 0.428 177.306 176.870 0.013 0.000 1.212 264 L CA 0.922 55.788 54.840 0.043 0.000 0.893 264 L CB 0.296 42.393 42.059 0.065 0.000 1.138 264 L HN 0.202 nan 8.230 nan 0.000 0.491 265 R N 4.155 124.645 120.500 -0.017 0.000 2.673 265 R HA 0.422 4.759 4.340 -0.004 0.000 0.281 265 R C -1.153 174.953 176.300 -0.325 0.000 0.991 265 R CA -1.024 54.963 56.100 -0.189 0.000 0.896 265 R CB 1.851 31.956 30.300 -0.325 0.000 1.201 265 R HN 0.518 nan 8.270 nan 0.000 0.457 266 K N 1.638 121.749 120.400 -0.481 0.000 2.293 266 K HA 0.232 4.549 4.320 -0.004 0.000 0.267 266 K C -0.302 175.895 176.600 -0.672 0.000 1.010 266 K CA -0.336 55.492 56.287 -0.765 0.000 0.875 266 K CB 0.708 32.852 32.500 -0.592 0.000 1.106 266 K HN 0.659 nan 8.250 nan 0.000 0.450 267 H N 0.499 119.284 119.070 -0.474 0.000 2.639 267 H HA 0.075 4.628 4.556 -0.004 0.000 0.267 267 H C 0.162 175.270 175.328 -0.365 0.000 0.958 267 H CA 0.534 56.407 56.048 -0.291 0.000 1.221 267 H CB 0.866 30.497 29.762 -0.219 0.000 1.446 267 H HN 0.646 nan 8.280 nan 0.000 0.512 268 T N -2.676 111.605 114.554 -0.454 0.000 2.926 268 T HA 0.606 4.954 4.350 -0.004 0.000 0.289 268 T C 0.266 174.584 174.700 -0.637 0.000 1.054 268 T CA -0.962 60.722 62.100 -0.694 0.000 1.015 268 T CB 2.144 70.272 68.868 -1.233 0.000 1.167 268 T HN -0.050 nan 8.240 nan 0.000 0.526 269 S N 0.186 115.459 115.700 -0.712 0.000 2.825 269 S HA 0.350 4.817 4.470 -0.004 0.000 0.242 269 S C -0.360 174.041 174.600 -0.332 0.000 0.980 269 S CA -0.779 57.175 58.200 -0.410 0.000 1.107 269 S CB -0.545 62.495 63.200 -0.267 0.000 1.172 269 S HN 0.613 nan 8.310 nan 0.000 0.483 270 F N 2.025 121.917 119.950 -0.096 0.000 2.586 270 F HA 0.169 4.694 4.527 -0.004 0.000 0.344 270 F C 2.042 177.596 175.800 -0.410 0.000 1.188 270 F CA 0.642 58.577 58.000 -0.107 0.000 1.359 270 F CB 0.620 39.665 39.000 0.074 0.000 1.129 270 F HN 0.296 nan 8.300 nan 0.000 0.609 271 T N -4.613 109.763 114.554 -0.298 0.000 3.074 271 T HA 0.006 4.353 4.350 -0.004 0.000 0.258 271 T C 0.886 175.234 174.700 -0.587 0.000 0.891 271 T CA 0.228 61.830 62.100 -0.831 0.000 0.867 271 T CB -0.226 68.369 68.868 -0.455 0.000 1.261 271 T HN 0.537 nan 8.240 nan 0.000 0.537 272 D N 1.217 121.484 120.400 -0.221 0.000 2.085 272 D HA 0.064 4.701 4.640 -0.004 0.000 0.199 272 D C 0.159 176.192 176.300 -0.445 0.000 0.981 272 D CA 1.072 54.874 54.000 -0.331 0.000 0.834 272 D CB -0.352 40.335 40.800 -0.187 0.000 0.992 272 D HN 0.579 nan 8.370 nan 0.000 0.457 273 Y N -2.395 118.134 120.300 0.382 0.000 2.597 273 Y HA 0.383 4.931 4.550 -0.004 0.000 0.340 273 Y C -0.904 175.248 175.900 0.421 0.000 1.097 273 Y CA -1.550 56.807 58.100 0.427 0.000 1.037 273 Y CB 1.073 39.653 38.460 0.200 0.000 1.305 273 Y HN -0.250 nan 8.280 nan 0.000 0.463 274 Y N 3.804 124.222 120.300 0.197 0.000 2.442 274 Y HA 0.177 4.724 4.550 -0.004 0.000 0.330 274 Y C -2.053 173.892 175.900 0.076 0.000 1.129 274 Y CA -2.289 55.803 58.100 -0.013 0.000 1.365 274 Y CB 0.153 38.564 38.460 -0.081 0.000 1.233 274 Y HN 0.162 nan 8.280 nan 0.000 0.529 275 P HA 0.307 nan 4.420 nan 0.000 0.278 275 P C -0.529 176.892 177.300 0.202 0.000 1.238 275 P CA -0.311 62.830 63.100 0.068 0.000 0.794 275 P CB 1.606 33.128 31.700 -0.297 0.000 0.955 276 R N 0.046 120.731 120.500 0.309 0.000 2.846 276 R HA 0.284 4.622 4.340 -0.004 0.000 0.263 276 R C -0.221 176.336 176.300 0.429 0.000 1.080 276 R CA -1.102 55.195 56.100 0.329 0.000 0.961 276 R CB -0.421 30.076 30.300 0.327 0.000 1.231 276 R HN 0.668 nan 8.270 nan 0.000 0.465 277 H N 0.341 119.583 119.070 0.287 0.000 2.604 277 H HA -0.144 4.410 4.556 -0.005 0.000 0.321 277 H C -0.605 174.913 175.328 0.317 0.000 1.132 277 H CA 0.216 56.445 56.048 0.301 0.000 1.129 277 H CB -1.096 28.837 29.762 0.285 0.000 1.526 277 H HN 0.281 nan 8.280 nan 0.000 0.415 278 L N 1.286 122.680 121.223 0.285 0.000 2.485 278 L HA 0.128 4.465 4.340 -0.004 0.000 0.275 278 L C 0.861 177.887 176.870 0.261 0.000 1.207 278 L CA 0.878 55.887 54.840 0.282 0.000 0.855 278 L CB 0.589 42.764 42.059 0.194 0.000 1.114 278 L HN 0.596 nan 8.230 nan 0.000 0.485 279 N N 0.318 119.201 118.700 0.305 0.000 2.591 279 N HA 0.538 5.275 4.740 -0.004 0.000 0.263 279 N C -1.242 174.431 175.510 0.272 0.000 1.308 279 N CA -0.541 52.685 53.050 0.295 0.000 0.837 279 N CB 2.541 41.240 38.487 0.354 0.000 1.548 279 N HN 0.525 nan 8.380 nan 0.000 0.493 280 T N -1.181 113.521 114.554 0.246 0.000 2.731 280 T HA 0.281 4.629 4.350 -0.004 0.000 0.300 280 T C -1.442 173.365 174.700 0.180 0.000 1.283 280 T CA -0.410 61.806 62.100 0.193 0.000 1.005 280 T CB 1.118 70.070 68.868 0.139 0.000 1.420 280 T HN 0.705 nan 8.240 nan 0.000 0.503 281 D N -1.114 119.351 120.400 0.108 0.000 2.520 281 D HA 0.352 4.989 4.640 -0.004 0.000 0.223 281 D C 1.273 177.584 176.300 0.018 0.000 1.186 281 D CA 0.811 54.844 54.000 0.055 0.000 0.821 281 D CB 0.204 40.970 40.800 -0.057 0.000 1.072 281 D HN 1.105 nan 8.370 nan 0.000 0.518 282 G N 0.796 109.618 108.800 0.037 0.000 2.238 282 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.217 282 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.217 282 G C 1.287 176.188 174.900 0.002 0.000 0.996 282 G CA 0.179 45.295 45.100 0.027 0.000 0.632 282 G HN 0.401 nan 8.290 nan 0.000 0.503 283 R N -0.309 120.179 120.500 -0.019 0.000 2.197 283 R HA 0.417 4.754 4.340 -0.004 0.000 0.188 283 R C 0.896 177.163 176.300 -0.055 0.000 1.015 283 R CA 0.354 56.431 56.100 -0.038 0.000 1.132 283 R CB 0.364 30.635 30.300 -0.049 0.000 1.134 283 R HN 0.327 nan 8.270 nan 0.000 0.560 284 R N 0.522 121.004 120.500 -0.030 0.000 2.803 284 R HA 0.510 4.847 4.340 -0.004 0.000 0.276 284 R C -0.859 175.479 176.300 0.063 0.000 0.978 284 R CA -0.622 55.467 56.100 -0.018 0.000 0.939 284 R CB 2.031 32.331 30.300 -0.001 0.000 1.179 284 R HN -0.072 nan 8.270 nan 0.000 0.472 285 I N 2.074 122.725 120.570 0.134 0.000 2.437 285 I HA 0.325 4.492 4.170 -0.004 0.000 0.298 285 I C -0.821 175.506 176.117 0.350 0.000 0.984 285 I CA -0.949 60.498 61.300 0.245 0.000 1.214 285 I CB 1.517 39.696 38.000 0.298 0.000 1.365 285 I HN 0.257 nan 8.210 nan 0.000 0.469 286 L N 7.539 128.976 121.223 0.358 0.000 2.341 286 L HA 0.753 5.090 4.340 -0.004 0.000 0.267 286 L C -1.023 176.142 176.870 0.493 0.000 1.009 286 L CA -0.358 54.691 54.840 0.348 0.000 0.819 286 L CB 1.700 43.923 42.059 0.274 0.000 1.323 286 L HN 0.549 nan 8.230 nan 0.000 0.425 287 F N 0.235 120.329 119.950 0.239 0.000 2.858 287 F HA 0.775 5.299 4.527 -0.005 0.000 0.319 287 F C -1.214 174.719 175.800 0.222 0.000 1.166 287 F CA -0.509 57.635 58.000 0.240 0.000 0.899 287 F CB 0.889 40.013 39.000 0.206 0.000 1.332 287 F HN 0.552 nan 8.300 nan 0.000 0.461 288 S N 0.963 116.884 115.700 0.369 0.000 2.599 288 S HA 0.840 5.307 4.470 -0.004 0.000 0.294 288 S C -1.386 173.406 174.600 0.321 0.000 1.094 288 S CA -0.697 57.621 58.200 0.197 0.000 0.931 288 S CB 2.262 65.536 63.200 0.124 0.000 1.093 288 S HN 1.119 nan 8.310 nan 0.000 0.488 289 K N 0.200 120.744 120.400 0.240 0.000 2.570 289 K HA 0.476 4.793 4.320 -0.004 0.000 0.256 289 K C 0.394 177.066 176.600 0.120 0.000 0.939 289 K CA 0.078 56.483 56.287 0.197 0.000 0.833 289 K CB 0.818 33.363 32.500 0.074 0.000 1.318 289 K HN 1.621 nan 8.250 nan 0.000 0.433 290 G N 2.293 111.049 108.800 -0.074 0.000 2.337 290 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.290 290 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.290 290 G C 0.808 175.530 174.900 -0.297 0.000 1.003 290 G CA 1.018 45.790 45.100 -0.548 0.000 0.825 290 G HN 1.752 nan 8.290 nan 0.000 0.509 291 G N -2.747 105.960 108.800 -0.154 0.000 2.157 291 G HA2 0.004 3.961 3.960 -0.004 0.000 0.248 291 G HA3 0.004 3.961 3.960 -0.004 0.000 0.248 291 G C 0.313 175.128 174.900 -0.143 0.000 0.979 291 G CA 0.730 45.752 45.100 -0.130 0.000 0.650 291 G HN 1.719 nan 8.290 nan 0.000 0.529 292 S N -0.782 114.846 115.700 -0.120 0.000 2.600 292 S HA 0.806 5.274 4.470 -0.004 0.000 0.300 292 S C -0.265 174.127 174.600 -0.347 0.000 1.087 292 S CA -0.613 57.419 58.200 -0.281 0.000 0.965 292 S CB 2.090 65.081 63.200 -0.348 0.000 1.089 292 S HN 0.376 nan 8.310 nan 0.000 0.496 293 I N 2.123 122.355 120.570 -0.564 0.000 2.377 293 I HA 0.446 4.613 4.170 -0.004 0.000 0.293 293 I C -1.228 174.438 176.117 -0.751 0.000 0.987 293 I CA -0.258 60.732 61.300 -0.517 0.000 1.185 293 I CB 0.840 38.552 38.000 -0.480 0.000 1.341 293 I HN 0.543 nan 8.210 nan 0.000 0.455 294 Y N 5.519 125.442 120.300 -0.628 0.000 2.598 294 Y HA 0.680 5.227 4.550 -0.005 0.000 0.340 294 Y C -0.151 175.473 175.900 -0.461 0.000 1.038 294 Y CA -0.868 56.851 58.100 -0.634 0.000 1.100 294 Y CB 1.525 39.379 38.460 -1.009 0.000 1.281 294 Y HN 0.242 nan 8.280 nan 0.000 0.488 295 I N 1.724 122.317 120.570 0.039 0.000 2.608 295 I HA 0.318 4.486 4.170 -0.004 0.000 0.295 295 I C -1.554 174.790 176.117 0.379 0.000 1.049 295 I CA -0.857 60.548 61.300 0.175 0.000 1.063 295 I CB 2.181 40.239 38.000 0.096 0.000 1.248 295 I HN 0.438 nan 8.210 nan 0.000 0.424 296 F N 6.101 126.194 119.950 0.238 0.000 2.507 296 F HA 0.400 4.924 4.527 -0.004 0.000 0.328 296 F C -0.561 175.274 175.800 0.059 0.000 1.136 296 F CA -0.595 57.523 58.000 0.197 0.000 0.930 296 F CB 1.254 40.392 39.000 0.229 0.000 1.166 296 F HN 0.389 nan 8.300 nan 0.000 0.436 297 N N 7.841 126.154 118.700 -0.645 0.000 2.485 297 N HA 0.307 5.044 4.740 -0.004 0.000 0.243 297 N C -2.163 172.774 175.510 -0.956 0.000 0.987 297 N CA -1.962 50.745 53.050 -0.572 0.000 0.940 297 N CB 1.721 40.045 38.487 -0.273 0.000 1.122 297 N HN 0.312 nan 8.380 nan 0.000 0.509 298 P HA -0.129 nan 4.420 nan 0.000 0.216 298 P C 0.164 177.323 177.300 -0.234 0.000 1.150 298 P CA 1.160 63.925 63.100 -0.560 0.000 0.843 298 P CB 0.322 31.837 31.700 -0.309 0.000 0.787 299 D N -1.893 118.396 120.400 -0.185 0.000 2.144 299 D HA -0.077 4.560 4.640 -0.004 0.000 0.200 299 D C 1.722 177.975 176.300 -0.079 0.000 0.978 299 D CA 1.373 55.324 54.000 -0.082 0.000 0.833 299 D CB -0.879 39.883 40.800 -0.062 0.000 0.961 299 D HN 0.150 nan 8.370 nan 0.000 0.470 300 T N -0.654 113.818 114.554 -0.136 0.000 3.044 300 T HA -0.001 4.346 4.350 -0.004 0.000 0.255 300 T C 0.812 175.464 174.700 -0.080 0.000 1.073 300 T CA 0.458 62.502 62.100 -0.092 0.000 1.125 300 T CB 0.360 69.174 68.868 -0.090 0.000 0.908 300 T HN 0.249 nan 8.240 nan 0.000 0.480 301 E N 0.390 120.482 120.200 -0.181 0.000 3.286 301 E HA -0.205 4.143 4.350 -0.004 0.000 0.292 301 E C 0.037 176.671 176.600 0.057 0.000 0.928 301 E CA 0.521 56.897 56.400 -0.040 0.000 0.982 301 E CB -0.721 29.062 29.700 0.139 0.000 1.500 301 E HN 0.417 nan 8.360 nan 0.000 0.441 302 K N 0.868 121.244 120.400 -0.040 0.000 2.138 302 K HA 0.554 4.871 4.320 -0.004 0.000 0.263 302 K C -0.420 176.266 176.600 0.144 0.000 0.965 302 K CA -0.561 55.764 56.287 0.064 0.000 0.868 302 K CB 0.784 33.301 32.500 0.028 0.000 1.083 302 K HN 0.127 nan 8.250 nan 0.000 0.443 303 I N 3.674 124.393 120.570 0.248 0.000 2.433 303 I HA 0.267 4.434 4.170 -0.004 0.000 0.292 303 I C -0.481 175.811 176.117 0.292 0.000 1.001 303 I CA -0.653 60.866 61.300 0.364 0.000 1.119 303 I CB 1.887 40.193 38.000 0.509 0.000 1.289 303 I HN 0.667 nan 8.210 nan 0.000 0.438 304 E N 5.091 125.455 120.200 0.273 0.000 2.317 304 E HA 0.456 4.803 4.350 -0.004 0.000 0.270 304 E C -1.288 175.396 176.600 0.140 0.000 0.885 304 E CA -1.244 55.272 56.400 0.192 0.000 0.760 304 E CB 2.501 32.256 29.700 0.092 0.000 1.227 304 E HN 0.400 nan 8.360 nan 0.000 0.434 305 K N 3.249 123.660 120.400 0.018 0.000 2.234 305 K HA 0.301 4.618 4.320 -0.004 0.000 0.282 305 K C -0.563 175.850 176.600 -0.313 0.000 1.039 305 K CA -0.534 55.523 56.287 -0.385 0.000 0.928 305 K CB 0.690 32.968 32.500 -0.369 0.000 1.039 305 K HN 0.538 nan 8.250 nan 0.000 0.470 306 I N 3.954 124.271 120.570 -0.422 0.000 2.474 306 I HA 0.057 4.225 4.170 -0.004 0.000 0.287 306 I C 0.294 176.194 176.117 -0.361 0.000 1.048 306 I CA -0.427 60.671 61.300 -0.337 0.000 1.383 306 I CB 1.088 38.850 38.000 -0.396 0.000 1.412 306 I HN 0.508 nan 8.210 nan 0.000 0.531 307 E N 7.096 127.144 120.200 -0.254 0.000 2.089 307 E HA 0.286 4.634 4.350 -0.004 0.000 0.284 307 E C 0.462 176.918 176.600 -0.240 0.000 1.023 307 E CA -0.012 56.263 56.400 -0.208 0.000 0.819 307 E CB 1.815 31.456 29.700 -0.099 0.000 1.076 307 E HN 0.564 nan 8.360 nan 0.000 0.396 308 I N 0.838 121.236 120.570 -0.287 0.000 3.971 308 I HA 0.130 4.298 4.170 -0.004 0.000 0.303 308 I C 1.151 177.186 176.117 -0.137 0.000 1.233 308 I CA 0.428 61.574 61.300 -0.256 0.000 1.346 308 I CB 0.237 37.979 38.000 -0.430 0.000 1.273 308 I HN 0.652 nan 8.210 nan 0.000 0.448 309 G N 1.856 110.564 108.800 -0.154 0.000 2.752 309 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.234 309 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.234 309 G C -0.794 174.040 174.900 -0.110 0.000 1.367 309 G CA -0.540 44.496 45.100 -0.106 0.000 0.879 309 G HN 0.273 nan 8.290 nan 0.000 0.563 310 D N -0.264 120.090 120.400 -0.076 0.000 2.488 310 D HA 0.352 4.989 4.640 -0.004 0.000 0.238 310 D C 1.106 177.361 176.300 -0.076 0.000 1.138 310 D CA 0.054 54.012 54.000 -0.071 0.000 0.873 310 D CB 1.169 41.946 40.800 -0.037 0.000 1.183 310 D HN 0.326 nan 8.370 nan 0.000 0.458 311 L N 1.221 122.370 121.223 -0.123 0.000 2.713 311 L HA 0.290 4.627 4.340 -0.004 0.000 0.223 311 L C 0.228 177.112 176.870 0.023 0.000 1.040 311 L CA 0.643 55.373 54.840 -0.183 0.000 0.894 311 L CB 0.160 41.809 42.059 -0.683 0.000 1.361 311 L HN 0.547 nan 8.230 nan 0.000 0.490 312 E N -1.362 118.852 120.200 0.024 0.000 2.381 312 E HA 0.391 4.738 4.350 -0.004 0.000 0.286 312 E C -1.434 175.210 176.600 0.074 0.000 0.960 312 E CA -0.140 56.341 56.400 0.135 0.000 0.793 312 E CB 1.718 31.600 29.700 0.303 0.000 1.225 312 E HN -0.184 nan 8.360 nan 0.000 0.420 313 S N 4.910 120.650 115.700 0.066 0.000 2.383 313 S HA 0.384 4.851 4.470 -0.004 0.000 0.196 313 S C -2.372 172.248 174.600 0.033 0.000 1.364 313 S CA -0.981 57.240 58.200 0.035 0.000 1.212 313 S CB 0.659 63.865 63.200 0.009 0.000 1.171 313 S HN 0.486 nan 8.310 nan 0.000 0.456 314 P HA 0.259 nan 4.420 nan 0.000 0.273 314 P C -0.293 177.010 177.300 0.005 0.000 1.250 314 P CA -0.411 62.706 63.100 0.028 0.000 0.793 314 P CB 0.415 32.138 31.700 0.038 0.000 1.011 315 E N 0.279 120.480 120.200 0.001 0.000 2.558 315 E HA -0.123 4.224 4.350 -0.004 0.000 0.255 315 E C 0.597 177.183 176.600 -0.022 0.000 0.968 315 E CA 0.610 57.004 56.400 -0.010 0.000 0.939 315 E CB -0.090 29.605 29.700 -0.008 0.000 0.921 315 E HN 0.405 nan 8.360 nan 0.000 0.477 316 D N 3.426 123.813 120.400 -0.022 0.000 2.162 316 D HA -0.076 4.561 4.640 -0.004 0.000 0.205 316 D C 0.307 176.585 176.300 -0.037 0.000 0.964 316 D CA 0.445 54.431 54.000 -0.024 0.000 0.847 316 D CB 0.224 41.036 40.800 0.020 0.000 0.988 316 D HN 0.315 nan 8.370 nan 0.000 0.480 317 R N 0.895 121.381 120.500 -0.023 0.000 2.288 317 R HA 0.244 4.581 4.340 -0.004 0.000 0.330 317 R C -0.360 175.917 176.300 -0.039 0.000 1.069 317 R CA -0.162 55.919 56.100 -0.031 0.000 0.941 317 R CB -0.094 30.196 30.300 -0.017 0.000 0.998 317 R HN 0.313 nan 8.270 nan 0.000 0.452 318 I N 1.395 121.931 120.570 -0.057 0.000 2.648 318 I HA 0.482 4.649 4.170 -0.004 0.000 0.304 318 I C -0.593 175.499 176.117 -0.042 0.000 1.009 318 I CA -1.209 60.059 61.300 -0.052 0.000 1.114 318 I CB 1.684 39.640 38.000 -0.074 0.000 1.293 318 I HN 0.251 nan 8.210 nan 0.000 0.449 319 I N 3.099 123.655 120.570 -0.024 0.000 2.392 319 I HA 0.493 4.661 4.170 -0.004 0.000 0.295 319 I C 0.081 176.202 176.117 0.007 0.000 0.985 319 I CA -0.030 61.265 61.300 -0.009 0.000 1.221 319 I CB 1.371 39.370 38.000 -0.002 0.000 1.366 319 I HN 0.721 nan 8.210 nan 0.000 0.467 320 S N 5.646 121.359 115.700 0.022 0.000 2.627 320 S HA 0.646 5.113 4.470 -0.004 0.000 0.283 320 S C -0.337 174.336 174.600 0.122 0.000 1.127 320 S CA -0.583 57.671 58.200 0.090 0.000 0.863 320 S CB 2.331 65.550 63.200 0.031 0.000 1.121 320 S HN 0.350 nan 8.310 nan 0.000 0.479 321 I N 4.011 124.701 120.570 0.201 0.000 2.291 321 I HA 0.223 4.391 4.170 -0.004 0.000 0.292 321 I C -1.233 174.984 176.117 0.167 0.000 1.064 321 I CA -1.974 59.395 61.300 0.116 0.000 1.269 321 I CB 1.212 39.243 38.000 0.051 0.000 1.418 321 I HN 0.496 nan 8.210 nan 0.000 0.485 322 P HA -0.297 nan 4.420 nan 0.000 0.218 322 P C 1.567 178.918 177.300 0.085 0.000 1.154 322 P CA 1.942 65.117 63.100 0.126 0.000 0.872 322 P CB 0.079 31.794 31.700 0.025 0.000 0.790 323 S N -0.253 115.415 115.700 -0.053 0.000 2.370 323 S HA -0.162 4.305 4.470 -0.004 0.000 0.226 323 S C 2.042 176.561 174.600 -0.135 0.000 1.033 323 S CA 1.010 59.130 58.200 -0.133 0.000 1.011 323 S CB -0.946 62.154 63.200 -0.166 0.000 0.852 323 S HN -0.001 nan 8.310 nan 0.000 0.457 324 K N 0.922 121.198 120.400 -0.207 0.000 2.113 324 K HA -0.043 4.274 4.320 -0.004 0.000 0.208 324 K C 0.927 177.112 176.600 -0.693 0.000 1.047 324 K CA 1.287 57.254 56.287 -0.534 0.000 0.928 324 K CB -0.521 31.458 32.500 -0.868 0.000 0.716 324 K HN 0.682 nan 8.250 nan 0.000 0.446 325 F N -0.455 119.516 119.950 0.035 0.000 2.698 325 F HA 0.349 4.874 4.527 -0.004 0.000 0.304 325 F C 0.681 176.544 175.800 0.104 0.000 1.108 325 F CA -0.719 57.319 58.000 0.063 0.000 1.263 325 F CB -0.024 39.015 39.000 0.064 0.000 1.013 325 F HN -0.230 nan 8.300 nan 0.000 0.532 326 A N 1.496 124.439 122.820 0.204 0.000 2.366 326 A HA 0.641 4.958 4.320 -0.004 0.000 0.249 326 A C 0.216 177.934 177.584 0.222 0.000 1.084 326 A CA 0.069 52.246 52.037 0.234 0.000 0.794 326 A CB 0.299 19.302 19.000 0.004 0.000 1.034 326 A HN 0.552 nan 8.150 nan 0.000 0.491 327 E N -0.811 119.578 120.200 0.315 0.000 2.417 327 E HA 0.400 4.748 4.350 -0.004 0.000 0.280 327 E C -0.897 175.887 176.600 0.307 0.000 1.112 327 E CA -0.376 56.199 56.400 0.292 0.000 0.863 327 E CB 0.279 30.093 29.700 0.191 0.000 1.346 327 E HN 0.427 nan 8.360 nan 0.000 0.443 328 D N -0.347 120.169 120.400 0.194 0.000 2.800 328 D HA -0.183 4.455 4.640 -0.004 0.000 0.232 328 D C -0.773 175.581 176.300 0.090 0.000 1.137 328 D CA 1.124 55.170 54.000 0.077 0.000 0.718 328 D CB -1.493 39.397 40.800 0.149 0.000 1.084 328 D HN 0.477 nan 8.370 nan 0.000 0.432 329 F N -0.663 119.402 119.950 0.191 0.000 2.578 329 F HA 0.476 5.000 4.527 -0.005 0.000 0.376 329 F C 0.671 176.565 175.800 0.157 0.000 1.085 329 F CA -0.359 57.752 58.000 0.185 0.000 1.260 329 F CB 0.815 39.863 39.000 0.080 0.000 1.095 329 F HN -0.020 nan 8.300 nan 0.000 0.573 330 S N 4.344 120.173 115.700 0.214 0.000 2.536 330 S HA 0.607 5.074 4.470 -0.004 0.000 0.271 330 S C -3.168 171.529 174.600 0.161 0.000 1.134 330 S CA -1.472 56.800 58.200 0.120 0.000 0.897 330 S CB 2.087 65.334 63.200 0.080 0.000 1.094 330 S HN 0.619 nan 8.310 nan 0.000 0.473 331 P HA 0.398 nan 4.420 nan 0.000 0.286 331 P C -0.847 176.512 177.300 0.099 0.000 1.269 331 P CA -0.468 62.697 63.100 0.107 0.000 0.787 331 P CB 0.814 32.560 31.700 0.077 0.000 0.920 332 L N 1.735 123.019 121.223 0.101 0.000 2.341 332 L HA 0.488 4.825 4.340 -0.004 0.000 0.267 332 L C 0.688 177.618 176.870 0.100 0.000 1.022 332 L CA -1.123 53.785 54.840 0.114 0.000 0.844 332 L CB 0.514 42.653 42.059 0.133 0.000 1.436 332 L HN 0.206 nan 8.230 nan 0.000 0.483 333 D N 0.016 120.488 120.400 0.120 0.000 2.371 333 D HA 0.292 4.929 4.640 -0.004 0.000 0.242 333 D C 0.781 177.137 176.300 0.092 0.000 1.218 333 D CA 1.006 55.064 54.000 0.097 0.000 0.945 333 D CB 0.530 41.388 40.800 0.098 0.000 1.137 333 D HN 0.773 nan 8.370 nan 0.000 0.464 334 G N 1.157 109.998 108.800 0.069 0.000 2.305 334 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.287 334 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.287 334 G C 0.326 175.254 174.900 0.047 0.000 1.036 334 G CA 0.703 45.836 45.100 0.055 0.000 0.887 334 G HN 0.797 nan 8.290 nan 0.000 0.505 335 D N -2.078 118.352 120.400 0.050 0.000 2.708 335 D HA -0.175 4.463 4.640 -0.004 0.000 0.236 335 D C 0.643 176.972 176.300 0.049 0.000 1.146 335 D CA 1.497 55.526 54.000 0.049 0.000 0.662 335 D CB -1.135 39.692 40.800 0.045 0.000 1.059 335 D HN 0.764 nan 8.370 nan 0.000 0.428 336 L N -0.152 121.100 121.223 0.049 0.000 2.331 336 L HA 0.601 4.938 4.340 -0.004 0.000 0.268 336 L C 0.545 177.454 176.870 0.065 0.000 1.015 336 L CA -1.152 53.709 54.840 0.034 0.000 0.807 336 L CB 1.327 43.369 42.059 -0.028 0.000 1.293 336 L HN -0.076 nan 8.230 nan 0.000 0.451 337 I N 0.750 121.368 120.570 0.081 0.000 2.689 337 I HA 0.662 4.829 4.170 -0.004 0.000 0.299 337 I C -0.103 176.122 176.117 0.180 0.000 1.059 337 I CA -0.598 60.792 61.300 0.149 0.000 1.055 337 I CB 1.700 39.806 38.000 0.178 0.000 1.243 337 I HN 0.586 nan 8.210 nan 0.000 0.425 338 A N 5.297 128.258 122.820 0.235 0.000 2.454 338 A HA 0.987 5.305 4.320 -0.004 0.000 0.302 338 A C -1.204 176.612 177.584 0.386 0.000 1.079 338 A CA -0.404 51.772 52.037 0.231 0.000 0.731 338 A CB 2.165 21.267 19.000 0.170 0.000 1.299 338 A HN 0.718 nan 8.150 nan 0.000 0.413 339 F N -0.779 119.288 119.950 0.194 0.000 2.807 339 F HA 0.719 5.243 4.527 -0.004 0.000 0.316 339 F C -1.888 174.047 175.800 0.225 0.000 1.162 339 F CA -1.075 57.049 58.000 0.208 0.000 0.910 339 F CB 0.758 39.892 39.000 0.224 0.000 1.314 339 F HN 0.462 nan 8.300 nan 0.000 0.454 340 V N 1.494 121.630 119.914 0.370 0.000 2.680 340 V HA 0.818 4.935 4.120 -0.004 0.000 0.309 340 V C -0.864 175.480 176.094 0.416 0.000 1.052 340 V CA -0.454 61.968 62.300 0.203 0.000 0.908 340 V CB 1.666 33.544 31.823 0.092 0.000 1.001 340 V HN 0.969 nan 8.190 nan 0.000 0.431 341 S N 3.226 119.126 115.700 0.334 0.000 2.562 341 S HA 0.534 5.001 4.470 -0.004 0.000 0.274 341 S C -0.045 174.696 174.600 0.235 0.000 1.160 341 S CA -0.683 57.742 58.200 0.376 0.000 0.933 341 S CB 1.045 64.569 63.200 0.539 0.000 1.100 341 S HN 0.780 nan 8.310 nan 0.000 0.468 342 R N 2.477 123.078 120.500 0.169 0.000 3.502 342 R HA -0.237 4.100 4.340 -0.004 0.000 0.266 342 R C 1.052 177.344 176.300 -0.013 0.000 1.077 342 R CA 1.292 57.395 56.100 0.005 0.000 0.718 342 R CB -1.789 28.428 30.300 -0.138 0.000 1.120 342 R HN 1.780 nan 8.270 nan 0.000 0.457 343 G N -1.347 107.450 108.800 -0.004 0.000 2.205 343 G HA2 -0.362 3.596 3.960 -0.004 0.000 0.261 343 G HA3 -0.362 3.596 3.960 -0.004 0.000 0.261 343 G C 0.055 174.900 174.900 -0.092 0.000 0.980 343 G CA 0.755 45.820 45.100 -0.058 0.000 0.632 343 G HN 0.520 nan 8.290 nan 0.000 0.533 344 Q N -0.107 119.657 119.800 -0.060 0.000 2.204 344 Q HA 0.771 5.108 4.340 -0.004 0.000 0.254 344 Q C 0.064 175.862 176.000 -0.336 0.000 0.981 344 Q CA -0.080 55.595 55.803 -0.214 0.000 0.897 344 Q CB 1.938 30.611 28.738 -0.108 0.000 1.273 344 Q HN 0.823 nan 8.270 nan 0.000 0.464 345 A N 1.076 123.435 122.820 -0.768 0.000 2.413 345 A HA 0.857 5.174 4.320 -0.004 0.000 0.307 345 A C -1.560 175.281 177.584 -1.238 0.000 1.087 345 A CA -0.459 51.156 52.037 -0.704 0.000 0.750 345 A CB 0.908 19.639 19.000 -0.448 0.000 1.296 345 A HN 0.549 nan 8.150 nan 0.000 0.423 346 F N -0.026 119.628 119.950 -0.493 0.000 2.613 346 F HA 0.651 5.176 4.527 -0.004 0.000 0.310 346 F C -0.671 175.001 175.800 -0.213 0.000 1.085 346 F CA -0.635 57.136 58.000 -0.381 0.000 0.945 346 F CB 1.996 40.684 39.000 -0.521 0.000 1.298 346 F HN 0.263 nan 8.300 nan 0.000 0.455 347 I N 2.266 122.870 120.570 0.057 0.000 2.382 347 I HA 0.443 4.611 4.170 -0.004 0.000 0.286 347 I C -0.674 175.460 176.117 0.028 0.000 1.002 347 I CA -0.340 60.946 61.300 -0.024 0.000 1.135 347 I CB 1.550 39.410 38.000 -0.235 0.000 1.288 347 I HN 0.676 nan 8.210 nan 0.000 0.448 348 Q N 4.834 124.682 119.800 0.080 0.000 2.553 348 Q HA 0.581 4.918 4.340 -0.004 0.000 0.293 348 Q C -1.629 174.432 176.000 0.101 0.000 1.038 348 Q CA -1.112 54.763 55.803 0.119 0.000 0.777 348 Q CB 2.141 30.992 28.738 0.188 0.000 1.487 348 Q HN 0.518 nan 8.270 nan 0.000 0.426 349 D N 0.531 121.009 120.400 0.129 0.000 2.312 349 D HA 0.056 4.694 4.640 -0.004 0.000 0.248 349 D C 1.409 177.770 176.300 0.102 0.000 1.086 349 D CA -0.097 53.974 54.000 0.118 0.000 0.948 349 D CB 1.609 42.521 40.800 0.186 0.000 1.162 349 D HN 0.598 nan 8.370 nan 0.000 0.446 350 V N -0.057 119.905 119.914 0.080 0.000 2.317 350 V HA -0.305 3.812 4.120 -0.004 0.000 0.251 350 V C 2.398 178.509 176.094 0.028 0.000 1.065 350 V CA 2.531 64.862 62.300 0.051 0.000 1.049 350 V CB -1.527 30.324 31.823 0.046 0.000 0.651 350 V HN 0.701 nan 8.190 nan 0.000 0.450 351 S N 1.121 116.847 115.700 0.044 0.000 2.440 351 S HA 0.049 4.516 4.470 -0.004 0.000 0.238 351 S C 1.849 176.446 174.600 -0.005 0.000 1.010 351 S CA 1.916 60.126 58.200 0.018 0.000 0.972 351 S CB -1.031 62.192 63.200 0.039 0.000 0.774 351 S HN 2.199 nan 8.310 nan 0.000 0.501 352 G N -0.130 108.685 108.800 0.024 0.000 2.153 352 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.252 352 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.252 352 G C 0.758 175.640 174.900 -0.030 0.000 0.994 352 G CA 1.241 46.348 45.100 0.012 0.000 0.698 352 G HN 0.741 nan 8.290 nan 0.000 0.521 353 T N -1.420 113.094 114.554 -0.067 0.000 2.939 353 T HA 0.198 4.545 4.350 -0.004 0.000 0.254 353 T C 0.868 175.355 174.700 -0.356 0.000 1.041 353 T CA 1.199 63.149 62.100 -0.250 0.000 1.142 353 T CB 0.025 68.670 68.868 -0.372 0.000 0.874 353 T HN 0.379 nan 8.240 nan 0.000 0.452 354 Y N 1.937 122.250 120.300 0.023 0.000 2.595 354 Y HA 0.580 5.128 4.550 -0.005 0.000 0.336 354 Y C -0.553 175.370 175.900 0.038 0.000 0.996 354 Y CA -1.013 57.104 58.100 0.028 0.000 1.260 354 Y CB 0.977 39.450 38.460 0.023 0.000 1.108 354 Y HN -0.117 nan 8.280 nan 0.000 0.509 355 V N 5.598 125.597 119.914 0.143 0.000 2.417 355 V HA 0.423 4.540 4.120 -0.004 0.000 0.291 355 V C -0.215 175.977 176.094 0.164 0.000 1.024 355 V CA -0.935 61.452 62.300 0.146 0.000 0.861 355 V CB 1.735 33.622 31.823 0.106 0.000 0.985 355 V HN 0.581 nan 8.190 nan 0.000 0.436 356 L N 4.534 125.857 121.223 0.166 0.000 2.322 356 L HA 0.588 4.925 4.340 -0.004 0.000 0.281 356 L C -0.053 176.881 176.870 0.107 0.000 1.014 356 L CA -0.548 54.377 54.840 0.141 0.000 0.815 356 L CB 1.926 44.067 42.059 0.137 0.000 1.247 356 L HN 0.580 nan 8.230 nan 0.000 0.421 357 K N 2.519 122.924 120.400 0.009 0.000 2.183 357 K HA 0.444 4.762 4.320 -0.004 0.000 0.274 357 K C -0.804 175.547 176.600 -0.416 0.000 1.009 357 K CA -0.637 55.453 56.287 -0.327 0.000 0.888 357 K CB 1.508 33.873 32.500 -0.225 0.000 1.078 357 K HN 0.330 nan 8.250 nan 0.000 0.459 358 V N 6.690 126.220 119.914 -0.640 0.000 2.585 358 V HA 0.098 4.215 4.120 -0.004 0.000 0.296 358 V C -1.764 173.920 176.094 -0.684 0.000 1.035 358 V CA -1.157 60.656 62.300 -0.811 0.000 1.084 358 V CB 0.699 32.022 31.823 -0.834 0.000 0.953 358 V HN 0.827 nan 8.190 nan 0.000 0.483 359 P HA 0.320 nan 4.420 nan 0.000 0.252 359 P C -0.464 176.604 177.300 -0.387 0.000 1.727 359 P CA 0.042 62.902 63.100 -0.399 0.000 1.134 359 P CB 0.403 31.942 31.700 -0.269 0.000 1.876 360 E N 2.899 122.868 120.200 -0.385 0.000 2.335 360 E HA 0.320 4.667 4.350 -0.004 0.000 0.280 360 E C -2.327 174.153 176.600 -0.200 0.000 0.918 360 E CA -1.722 54.478 56.400 -0.333 0.000 0.765 360 E CB 2.334 31.736 29.700 -0.496 0.000 1.218 360 E HN 0.274 nan 8.360 nan 0.000 0.425 361 P HA 0.065 nan 4.420 nan 0.000 0.273 361 P C 0.417 177.775 177.300 0.098 0.000 1.258 361 P CA -0.376 62.732 63.100 0.012 0.000 0.802 361 P CB 0.840 32.571 31.700 0.051 0.000 1.040 362 L N 0.512 121.757 121.223 0.038 0.000 2.529 362 L HA -0.051 4.286 4.340 -0.004 0.000 0.287 362 L C 0.991 177.801 176.870 -0.099 0.000 1.241 362 L CA 0.443 55.266 54.840 -0.027 0.000 0.857 362 L CB -0.179 41.856 42.059 -0.040 0.000 1.113 362 L HN 0.484 nan 8.230 nan 0.000 0.504 363 R N 3.341 123.758 120.500 -0.138 0.000 2.598 363 R HA -0.105 4.232 4.340 -0.004 0.000 0.323 363 R C -1.296 174.864 176.300 -0.233 0.000 0.993 363 R CA 0.468 56.450 56.100 -0.196 0.000 0.724 363 R CB -1.529 28.646 30.300 -0.209 0.000 2.060 363 R HN 0.527 nan 8.270 nan 0.000 0.470 364 I N 4.197 124.681 120.570 -0.143 0.000 2.347 364 I HA 0.181 4.349 4.170 -0.004 0.000 0.283 364 I C 1.816 177.860 176.117 -0.121 0.000 1.058 364 I CA -0.510 60.741 61.300 -0.082 0.000 1.202 364 I CB 0.869 38.776 38.000 -0.154 0.000 1.386 364 I HN 0.264 nan 8.210 nan 0.000 0.475 365 R N 4.021 124.424 120.500 -0.162 0.000 2.070 365 R HA -0.046 4.291 4.340 -0.004 0.000 0.233 365 R C -0.330 175.570 176.300 -0.666 0.000 1.137 365 R CA 1.482 57.309 56.100 -0.455 0.000 0.945 365 R CB -0.038 29.954 30.300 -0.513 0.000 0.845 365 R HN 0.400 nan 8.270 nan 0.000 0.430 366 Y N -1.407 118.940 120.300 0.079 0.000 2.576 366 Y HA 0.506 5.053 4.550 -0.005 0.000 0.346 366 Y C -0.523 175.470 175.900 0.156 0.000 1.018 366 Y CA -1.241 56.916 58.100 0.095 0.000 1.050 366 Y CB 2.169 40.676 38.460 0.078 0.000 1.280 366 Y HN -0.358 nan 8.280 nan 0.000 0.474 367 V N 2.320 122.418 119.914 0.307 0.000 2.686 367 V HA 0.689 4.806 4.120 -0.004 0.000 0.306 367 V C -0.904 175.323 176.094 0.222 0.000 1.065 367 V CA -0.803 61.656 62.300 0.265 0.000 0.894 367 V CB 1.909 33.845 31.823 0.188 0.000 1.004 367 V HN 0.618 nan 8.190 nan 0.000 0.424 368 R N 2.161 122.786 120.500 0.209 0.000 2.621 368 R HA 0.590 4.927 4.340 -0.004 0.000 0.284 368 R C -0.620 175.768 176.300 0.146 0.000 0.998 368 R CA -1.014 55.177 56.100 0.152 0.000 0.895 368 R CB 1.495 31.868 30.300 0.121 0.000 1.195 368 R HN 0.848 nan 8.270 nan 0.000 0.450 369 R N 0.865 121.440 120.500 0.124 0.000 2.538 369 R HA 0.274 4.611 4.340 -0.004 0.000 0.282 369 R C 0.310 176.656 176.300 0.077 0.000 1.009 369 R CA 1.251 57.422 56.100 0.118 0.000 1.063 369 R CB 0.197 30.558 30.300 0.102 0.000 0.945 369 R HN 0.730 nan 8.270 nan 0.000 0.414 370 G N 1.411 110.250 108.800 0.065 0.000 3.443 370 G HA2 0.457 4.415 3.960 -0.004 0.000 0.252 370 G HA3 0.457 4.415 3.960 -0.004 0.000 0.252 370 G C 0.036 174.934 174.900 -0.004 0.000 1.015 370 G CA 0.146 45.260 45.100 0.023 0.000 0.891 370 G HN 0.989 nan 8.290 nan 0.000 0.510 371 G N -0.267 108.532 108.800 -0.001 0.000 2.322 371 G HA2 0.334 4.292 3.960 -0.004 0.000 0.295 371 G HA3 0.334 4.292 3.960 -0.004 0.000 0.295 371 G C -0.380 174.503 174.900 -0.028 0.000 1.369 371 G CA -0.050 45.033 45.100 -0.028 0.000 0.821 371 G HN -0.170 nan 8.290 nan 0.000 0.536 372 D N -0.209 120.167 120.400 -0.040 0.000 2.133 372 D HA -0.109 4.528 4.640 -0.004 0.000 0.192 372 D C 2.342 178.607 176.300 -0.060 0.000 1.001 372 D CA 2.632 56.618 54.000 -0.023 0.000 0.844 372 D CB -0.026 40.755 40.800 -0.032 0.000 0.944 372 D HN 0.674 nan 8.370 nan 0.000 0.447 373 T N -3.788 110.617 114.554 -0.249 0.000 3.111 373 T HA 0.255 4.603 4.350 -0.004 0.000 0.284 373 T C 0.492 174.563 174.700 -1.048 0.000 0.983 373 T CA -0.548 61.124 62.100 -0.713 0.000 0.900 373 T CB 0.867 69.416 68.868 -0.531 0.000 1.132 373 T HN -0.141 nan 8.240 nan 0.000 0.531 374 K N 0.871 120.986 120.400 -0.474 0.000 2.118 374 K HA 0.759 5.076 4.320 -0.004 0.000 0.254 374 K C -1.484 175.071 176.600 -0.076 0.000 0.961 374 K CA -0.876 55.225 56.287 -0.309 0.000 0.876 374 K CB 2.647 35.047 32.500 -0.167 0.000 1.077 374 K HN 0.075 nan 8.250 nan 0.000 0.440 375 V N 1.154 121.103 119.914 0.059 0.000 2.888 375 V HA 0.645 4.762 4.120 -0.004 0.000 0.309 375 V C -1.438 174.794 176.094 0.231 0.000 1.114 375 V CA -0.542 61.883 62.300 0.209 0.000 0.940 375 V CB 1.871 33.914 31.823 0.366 0.000 1.021 375 V HN 0.933 nan 8.190 nan 0.000 0.426 376 A N 5.771 128.696 122.820 0.175 0.000 2.295 376 A HA 1.004 5.321 4.320 -0.004 0.000 0.318 376 A C -0.881 176.829 177.584 0.211 0.000 1.134 376 A CA -0.366 51.726 52.037 0.092 0.000 0.827 376 A CB 0.902 19.926 19.000 0.040 0.000 1.136 376 A HN 1.568 nan 8.150 nan 0.000 0.493 377 F N -0.217 119.808 119.950 0.124 0.000 2.662 377 F HA 0.752 5.276 4.527 -0.005 0.000 0.312 377 F C -1.222 174.677 175.800 0.165 0.000 1.113 377 F CA -1.575 56.507 58.000 0.137 0.000 0.951 377 F CB 1.177 40.234 39.000 0.095 0.000 1.344 377 F HN 0.256 nan 8.300 nan 0.000 0.462 378 I N 2.885 123.723 120.570 0.447 0.000 2.354 378 I HA 0.202 4.369 4.170 -0.004 0.000 0.286 378 I C -0.589 175.783 176.117 0.424 0.000 1.007 378 I CA -0.230 61.285 61.300 0.358 0.000 1.167 378 I CB 0.821 39.039 38.000 0.362 0.000 1.320 378 I HN 0.780 nan 8.210 nan 0.000 0.458 379 H N 5.713 125.020 119.070 0.396 0.000 2.552 379 H HA 0.517 5.070 4.556 -0.004 0.000 0.311 379 H C -0.360 175.142 175.328 0.291 0.000 1.071 379 H CA -0.289 55.960 56.048 0.335 0.000 1.307 379 H CB 1.661 31.664 29.762 0.402 0.000 1.416 379 H HN 0.742 nan 8.280 nan 0.000 0.464 380 G N 3.099 111.724 108.800 -0.292 0.000 2.371 380 G HA2 0.445 4.402 3.960 -0.004 0.000 0.326 380 G HA3 0.445 4.402 3.960 -0.004 0.000 0.326 380 G C -0.293 174.493 174.900 -0.190 0.000 1.127 380 G CA -0.243 44.780 45.100 -0.128 0.000 0.885 380 G HN 0.731 nan 8.290 nan 0.000 0.477 381 T N -1.337 113.277 114.554 0.101 0.000 2.716 381 T HA 0.380 4.727 4.350 -0.004 0.000 0.286 381 T C 1.238 176.033 174.700 0.157 0.000 1.052 381 T CA -0.728 61.454 62.100 0.137 0.000 1.024 381 T CB 1.773 70.787 68.868 0.243 0.000 1.349 381 T HN 0.413 nan 8.240 nan 0.000 0.525 382 R N 0.034 120.624 120.500 0.149 0.000 2.120 382 R HA -0.072 4.266 4.340 -0.004 0.000 0.234 382 R C 1.640 178.042 176.300 0.170 0.000 1.123 382 R CA 1.477 57.668 56.100 0.152 0.000 0.975 382 R CB -0.135 30.236 30.300 0.118 0.000 0.866 382 R HN 0.633 nan 8.270 nan 0.000 0.446 383 E N -0.623 119.702 120.200 0.208 0.000 2.158 383 E HA 0.102 4.449 4.350 -0.004 0.000 0.191 383 E C 0.936 177.645 176.600 0.183 0.000 0.982 383 E CA 1.049 57.581 56.400 0.221 0.000 0.823 383 E CB 0.469 30.347 29.700 0.298 0.000 0.766 383 E HN 0.523 nan 8.360 nan 0.000 0.468 384 G N 0.152 109.076 108.800 0.207 0.000 2.367 384 G HA2 0.079 4.037 3.960 -0.004 0.000 0.272 384 G HA3 0.079 4.037 3.960 -0.004 0.000 0.272 384 G C -1.816 173.015 174.900 -0.116 0.000 1.271 384 G CA -0.750 44.328 45.100 -0.038 0.000 0.893 384 G HN -0.078 nan 8.290 nan 0.000 0.485 385 D N 0.050 120.206 120.400 -0.407 0.000 2.248 385 D HA 0.751 5.388 4.640 -0.004 0.000 0.246 385 D C -1.009 174.900 176.300 -0.652 0.000 1.027 385 D CA 0.186 54.026 54.000 -0.267 0.000 0.853 385 D CB 1.696 42.441 40.800 -0.091 0.000 1.243 385 D HN 0.181 nan 8.370 nan 0.000 0.462 386 F N 0.448 120.483 119.950 0.141 0.000 2.576 386 F HA 0.309 4.833 4.527 -0.004 0.000 0.313 386 F C -0.064 175.810 175.800 0.125 0.000 1.078 386 F CA -1.132 56.955 58.000 0.144 0.000 0.921 386 F CB 1.519 40.620 39.000 0.167 0.000 1.232 386 F HN 0.005 nan 8.300 nan 0.000 0.459 387 L N 2.265 123.643 121.223 0.258 0.000 2.326 387 L HA 0.795 5.132 4.340 -0.004 0.000 0.278 387 L C -0.194 176.605 176.870 -0.118 0.000 1.092 387 L CA 0.311 55.212 54.840 0.102 0.000 0.810 387 L CB 0.680 42.848 42.059 0.181 0.000 1.153 387 L HN 0.804 nan 8.230 nan 0.000 0.439 388 G N 5.318 113.701 108.800 -0.695 0.000 2.619 388 G HA2 0.671 4.628 3.960 -0.004 0.000 0.296 388 G HA3 0.671 4.628 3.960 -0.004 0.000 0.296 388 G C -1.409 172.667 174.900 -1.373 0.000 1.334 388 G CA -0.542 43.765 45.100 -1.323 0.000 0.934 388 G HN 0.569 nan 8.290 nan 0.000 0.476 389 I N 0.216 120.355 120.570 -0.719 0.000 2.689 389 I HA 0.546 4.714 4.170 -0.004 0.000 0.299 389 I C -1.331 174.911 176.117 0.209 0.000 1.059 389 I CA -1.027 60.148 61.300 -0.208 0.000 1.055 389 I CB 2.583 40.474 38.000 -0.182 0.000 1.243 389 I HN 0.542 nan 8.210 nan 0.000 0.425 390 Y N 4.027 124.418 120.300 0.152 0.000 2.544 390 Y HA 0.477 5.024 4.550 -0.005 0.000 0.342 390 Y C -1.837 174.080 175.900 0.029 0.000 1.062 390 Y CA -1.231 56.959 58.100 0.151 0.000 1.023 390 Y CB 1.861 40.466 38.460 0.242 0.000 1.308 390 Y HN 0.488 nan 8.280 nan 0.000 0.457 391 D N 4.190 124.135 120.400 -0.758 0.000 2.469 391 D HA 0.142 4.780 4.640 -0.004 0.000 0.251 391 D C -0.291 175.325 176.300 -1.140 0.000 1.173 391 D CA -0.442 53.069 54.000 -0.815 0.000 0.882 391 D CB 0.459 41.009 40.800 -0.416 0.000 1.129 391 D HN 0.598 nan 8.370 nan 0.000 0.549 392 Y N 2.627 122.400 120.300 -0.878 0.000 2.619 392 Y HA 0.214 4.761 4.550 -0.004 0.000 0.308 392 Y C 1.844 177.622 175.900 -0.204 0.000 1.192 392 Y CA -0.035 57.757 58.100 -0.514 0.000 1.319 392 Y CB -0.237 38.127 38.460 -0.160 0.000 1.030 392 Y HN 0.272 nan 8.280 nan 0.000 0.517 393 R N 0.738 121.106 120.500 -0.220 0.000 2.119 393 R HA -0.014 4.323 4.340 -0.004 0.000 0.202 393 R C 2.157 178.411 176.300 -0.076 0.000 1.114 393 R CA 1.293 57.343 56.100 -0.085 0.000 1.089 393 R CB -0.338 29.885 30.300 -0.127 0.000 1.000 393 R HN 0.395 nan 8.270 nan 0.000 0.487 394 T N -3.220 111.259 114.554 -0.126 0.000 2.937 394 T HA 0.208 4.555 4.350 -0.004 0.000 0.260 394 T C 1.499 176.174 174.700 -0.041 0.000 1.051 394 T CA 1.181 63.237 62.100 -0.074 0.000 1.141 394 T CB 0.380 69.199 68.868 -0.083 0.000 0.879 394 T HN 0.491 nan 8.240 nan 0.000 0.459 395 G N 2.025 110.786 108.800 -0.065 0.000 2.307 395 G HA2 -0.221 3.736 3.960 -0.004 0.000 0.210 395 G HA3 -0.221 3.736 3.960 -0.004 0.000 0.210 395 G C 0.151 175.116 174.900 0.108 0.000 1.005 395 G CA 0.004 45.138 45.100 0.057 0.000 0.634 395 G HN 1.008 nan 8.290 nan 0.000 0.496 396 K N 0.156 120.571 120.400 0.024 0.000 2.527 396 K HA 0.502 4.819 4.320 -0.004 0.000 0.278 396 K C 0.008 176.686 176.600 0.130 0.000 0.981 396 K CA 0.668 56.982 56.287 0.044 0.000 1.009 396 K CB 0.965 33.460 32.500 -0.008 0.000 0.895 396 K HN 1.385 nan 8.250 nan 0.000 0.493 397 A N 3.011 125.910 122.820 0.132 0.000 2.969 397 A HA 0.131 4.448 4.320 -0.004 0.000 0.303 397 A C -0.621 176.999 177.584 0.061 0.000 1.198 397 A CA -0.747 51.407 52.037 0.196 0.000 0.819 397 A CB 0.297 19.459 19.000 0.270 0.000 1.385 397 A HN 0.895 nan 8.150 nan 0.000 0.479 398 E N 1.173 121.349 120.200 -0.041 0.000 2.409 398 E HA 0.380 4.727 4.350 -0.004 0.000 0.257 398 E C -0.287 176.169 176.600 -0.240 0.000 1.150 398 E CA -0.055 56.253 56.400 -0.153 0.000 0.942 398 E CB 0.583 30.139 29.700 -0.240 0.000 0.979 398 E HN 0.404 nan 8.360 nan 0.000 0.447 399 K N 3.379 123.620 120.400 -0.265 0.000 2.716 399 K HA 0.201 4.518 4.320 -0.004 0.000 0.249 399 K C -1.227 175.278 176.600 -0.158 0.000 1.004 399 K CA -0.362 55.777 56.287 -0.246 0.000 0.968 399 K CB 0.392 32.830 32.500 -0.105 0.000 1.214 399 K HN 0.388 nan 8.250 nan 0.000 0.476 400 F N 1.863 121.805 119.950 -0.014 0.000 2.633 400 F HA -0.067 4.457 4.527 -0.005 0.000 0.338 400 F C 1.699 177.533 175.800 0.057 0.000 1.206 400 F CA 0.044 58.059 58.000 0.026 0.000 1.378 400 F CB 0.643 39.669 39.000 0.045 0.000 1.116 400 F HN 0.555 nan 8.300 nan 0.000 0.615 401 E N -0.270 120.114 120.200 0.307 0.000 2.413 401 E HA 0.010 4.357 4.350 -0.004 0.000 0.203 401 E C -0.028 176.808 176.600 0.394 0.000 0.957 401 E CA 0.178 56.699 56.400 0.200 0.000 0.950 401 E CB -0.189 29.570 29.700 0.099 0.000 0.957 401 E HN 0.506 nan 8.360 nan 0.000 0.497 402 E N 2.433 122.813 120.200 0.299 0.000 2.498 402 E HA -0.024 4.323 4.350 -0.004 0.000 0.252 402 E C -0.086 176.650 176.600 0.227 0.000 1.025 402 E CA 0.118 56.638 56.400 0.200 0.000 0.938 402 E CB -0.162 29.568 29.700 0.050 0.000 0.947 402 E HN 0.181 nan 8.360 nan 0.000 0.478 403 N N 3.339 122.115 118.700 0.126 0.000 2.475 403 N HA 0.022 4.759 4.740 -0.004 0.000 0.267 403 N C 0.678 176.051 175.510 -0.229 0.000 1.169 403 N CA -0.257 52.640 53.050 -0.254 0.000 0.947 403 N CB 0.483 38.905 38.487 -0.108 0.000 1.061 403 N HN 0.353 nan 8.380 nan 0.000 0.466 404 L N 2.853 123.880 121.223 -0.327 0.000 2.640 404 L HA 0.384 4.722 4.340 -0.004 0.000 0.230 404 L C 1.343 178.132 176.870 -0.135 0.000 1.123 404 L CA 0.029 54.769 54.840 -0.166 0.000 0.900 404 L CB -0.638 41.356 42.059 -0.109 0.000 1.146 404 L HN 0.885 nan 8.230 nan 0.000 0.484 405 G N 1.006 109.694 108.800 -0.186 0.000 2.484 405 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.225 405 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.225 405 G C -0.519 174.342 174.900 -0.064 0.000 1.250 405 G CA -0.616 44.423 45.100 -0.103 0.000 0.926 405 G HN 0.193 nan 8.290 nan 0.000 0.581 406 N N 0.958 119.682 118.700 0.040 0.000 2.589 406 N HA 0.425 5.163 4.740 -0.004 0.000 0.232 406 N C 0.168 175.815 175.510 0.228 0.000 1.015 406 N CA -0.142 52.982 53.050 0.123 0.000 0.931 406 N CB 1.639 40.282 38.487 0.260 0.000 1.150 406 N HN 0.543 nan 8.380 nan 0.000 0.512 407 V N 2.447 122.411 119.914 0.085 0.000 2.637 407 V HA 0.108 4.225 4.120 -0.004 0.000 0.296 407 V C 0.642 176.782 176.094 0.076 0.000 1.046 407 V CA 0.447 62.829 62.300 0.137 0.000 1.066 407 V CB 0.160 32.050 31.823 0.111 0.000 0.968 407 V HN 0.543 nan 8.190 nan 0.000 0.483 408 F N 1.835 121.853 119.950 0.113 0.000 2.798 408 F HA 0.638 5.162 4.527 -0.005 0.000 0.328 408 F C 0.680 176.397 175.800 -0.139 0.000 1.098 408 F CA 0.422 58.492 58.000 0.117 0.000 1.172 408 F CB 0.644 39.717 39.000 0.122 0.000 1.072 408 F HN 0.556 nan 8.300 nan 0.000 0.555 409 A N 1.136 123.909 122.820 -0.077 0.000 2.566 409 A HA 0.759 5.077 4.320 -0.004 0.000 0.297 409 A C -1.402 176.153 177.584 -0.049 0.000 1.059 409 A CA -0.446 51.491 52.037 -0.167 0.000 0.691 409 A CB 1.859 20.907 19.000 0.080 0.000 1.282 409 A HN 0.004 nan 8.150 nan 0.000 0.401 410 M N 2.134 121.669 119.600 -0.109 0.000 2.284 410 M HA 0.562 5.039 4.480 -0.004 0.000 0.281 410 M C -0.686 175.691 176.300 0.129 0.000 1.083 410 M CA -0.029 55.316 55.300 0.074 0.000 0.965 410 M CB 1.750 34.328 32.600 -0.037 0.000 1.717 410 M HN 1.285 nan 8.290 nan 0.000 0.479 411 G N 2.664 111.631 108.800 0.279 0.000 2.605 411 G HA2 0.773 4.730 3.960 -0.004 0.000 0.296 411 G HA3 0.773 4.730 3.960 -0.004 0.000 0.296 411 G C -1.938 173.037 174.900 0.124 0.000 1.304 411 G CA -0.469 44.761 45.100 0.217 0.000 0.941 411 G HN 0.535 nan 8.290 nan 0.000 0.475 412 V N 1.442 121.382 119.914 0.043 0.000 2.735 412 V HA 0.381 4.499 4.120 -0.004 0.000 0.310 412 V C -0.507 175.489 176.094 -0.163 0.000 1.061 412 V CA -0.940 61.316 62.300 -0.073 0.000 0.913 412 V CB 1.906 33.706 31.823 -0.037 0.000 1.005 412 V HN 0.980 nan 8.190 nan 0.000 0.428 413 D N 3.512 123.654 120.400 -0.430 0.000 2.361 413 D HA 0.016 4.653 4.640 -0.004 0.000 0.239 413 D C 0.909 177.098 176.300 -0.185 0.000 1.200 413 D CA -0.428 53.326 54.000 -0.410 0.000 0.915 413 D CB 1.159 41.471 40.800 -0.813 0.000 1.170 413 D HN 0.490 nan 8.370 nan 0.000 0.444 414 R N 0.276 120.719 120.500 -0.095 0.000 2.189 414 R HA -0.093 4.245 4.340 -0.004 0.000 0.218 414 R C 1.585 177.864 176.300 -0.035 0.000 1.074 414 R CA 0.754 56.833 56.100 -0.034 0.000 0.991 414 R CB -0.166 30.137 30.300 0.006 0.000 0.883 414 R HN 0.607 nan 8.270 nan 0.000 0.457 415 N N -0.624 118.044 118.700 -0.054 0.000 2.336 415 N HA -0.023 4.714 4.740 -0.004 0.000 0.189 415 N C 0.176 175.666 175.510 -0.033 0.000 1.113 415 N CA 0.511 53.545 53.050 -0.025 0.000 0.858 415 N CB 0.393 38.882 38.487 0.003 0.000 0.970 415 N HN 0.334 nan 8.380 nan 0.000 0.471 416 G N 1.679 110.435 108.800 -0.074 0.000 2.225 416 G HA2 -0.302 3.655 3.960 -0.004 0.000 0.267 416 G HA3 -0.302 3.655 3.960 -0.004 0.000 0.267 416 G C 0.745 175.631 174.900 -0.022 0.000 1.024 416 G CA 0.611 45.677 45.100 -0.056 0.000 0.784 416 G HN 0.436 nan 8.290 nan 0.000 0.507 417 K N -1.387 119.006 120.400 -0.011 0.000 2.313 417 K HA 0.359 4.676 4.320 -0.004 0.000 0.197 417 K C 0.902 177.614 176.600 0.187 0.000 1.061 417 K CA 1.064 57.411 56.287 0.101 0.000 0.980 417 K CB 0.395 32.996 32.500 0.169 0.000 0.888 417 K HN 0.672 nan 8.250 nan 0.000 0.502 418 F N -0.887 119.082 119.950 0.031 0.000 2.675 418 F HA 0.781 5.306 4.527 -0.005 0.000 0.324 418 F C -1.420 174.406 175.800 0.042 0.000 1.106 418 F CA -1.636 56.382 58.000 0.029 0.000 0.970 418 F CB 1.088 40.097 39.000 0.014 0.000 1.385 418 F HN -0.246 nan 8.300 nan 0.000 0.489 419 A N 0.844 123.795 122.820 0.219 0.000 2.498 419 A HA 0.785 5.103 4.320 -0.004 0.000 0.298 419 A C -1.898 175.805 177.584 0.198 0.000 1.075 419 A CA -0.882 51.214 52.037 0.098 0.000 0.714 419 A CB 1.690 20.740 19.000 0.083 0.000 1.299 419 A HN 0.814 nan 8.150 nan 0.000 0.407 420 V N 1.391 121.372 119.914 0.112 0.000 2.435 420 V HA 0.611 4.728 4.120 -0.004 0.000 0.290 420 V C -0.485 175.534 176.094 -0.126 0.000 1.030 420 V CA -0.343 61.909 62.300 -0.080 0.000 0.881 420 V CB 1.455 33.094 31.823 -0.308 0.000 0.983 420 V HN 0.715 nan 8.190 nan 0.000 0.445 421 V N 3.155 122.958 119.914 -0.185 0.000 2.789 421 V HA 0.898 5.015 4.120 -0.004 0.000 0.311 421 V C -0.033 176.008 176.094 -0.088 0.000 1.073 421 V CA -0.668 61.597 62.300 -0.059 0.000 0.921 421 V CB 1.973 33.793 31.823 -0.005 0.000 1.009 421 V HN 0.990 nan 8.190 nan 0.000 0.426 422 A N 3.795 126.654 122.820 0.065 0.000 2.365 422 A HA 0.890 5.207 4.320 -0.004 0.000 0.318 422 A C -0.435 177.244 177.584 0.159 0.000 1.091 422 A CA -0.703 51.395 52.037 0.102 0.000 0.763 422 A CB 1.078 20.216 19.000 0.229 0.000 1.248 422 A HN 1.048 nan 8.150 nan 0.000 0.442 423 N N 0.207 118.993 118.700 0.144 0.000 2.761 423 N HA 0.375 5.113 4.740 -0.004 0.000 0.283 423 N C -0.558 175.057 175.510 0.175 0.000 1.377 423 N CA -0.494 52.671 53.050 0.192 0.000 0.791 423 N CB 1.149 39.691 38.487 0.092 0.000 1.540 423 N HN 0.455 nan 8.380 nan 0.000 0.539 424 D N -0.347 120.140 120.400 0.146 0.000 2.363 424 D HA -0.072 4.566 4.640 -0.004 0.000 0.226 424 D C 0.824 177.013 176.300 -0.184 0.000 1.020 424 D CA 0.403 54.411 54.000 0.013 0.000 0.892 424 D CB -0.150 40.653 40.800 0.005 0.000 0.900 424 D HN 0.457 nan 8.370 nan 0.000 0.531 425 R N -0.665 119.751 120.500 -0.140 0.000 2.317 425 R HA 0.236 4.574 4.340 -0.004 0.000 0.208 425 R C 0.167 176.332 176.300 -0.225 0.000 0.914 425 R CA -0.183 55.740 56.100 -0.294 0.000 1.060 425 R CB -0.190 30.020 30.300 -0.149 0.000 1.015 425 R HN 0.110 nan 8.270 nan 0.000 0.498 426 F N 0.180 120.093 119.950 -0.061 0.000 2.965 426 F HA -0.273 4.251 4.527 -0.004 0.000 0.287 426 F C -0.291 175.476 175.800 -0.055 0.000 0.790 426 F CA -0.016 57.941 58.000 -0.071 0.000 1.279 426 F CB -1.558 37.388 39.000 -0.089 0.000 1.409 426 F HN 0.194 nan 8.300 nan 0.000 0.446 427 E N 1.266 121.530 120.200 0.106 0.000 2.222 427 E HA 0.721 5.068 4.350 -0.004 0.000 0.272 427 E C -0.300 176.268 176.600 -0.053 0.000 0.982 427 E CA -0.929 55.480 56.400 0.016 0.000 0.842 427 E CB 3.054 32.739 29.700 -0.025 0.000 1.144 427 E HN 0.325 nan 8.360 nan 0.000 0.397 428 I N 3.279 123.759 120.570 -0.151 0.000 2.498 428 I HA 0.420 4.587 4.170 -0.004 0.000 0.290 428 I C -0.981 174.952 176.117 -0.307 0.000 1.032 428 I CA -0.550 60.571 61.300 -0.299 0.000 1.073 428 I CB 0.824 38.504 38.000 -0.534 0.000 1.251 428 I HN 0.631 nan 8.210 nan 0.000 0.426 429 M N 5.266 124.694 119.600 -0.287 0.000 2.664 429 M HA 0.574 5.052 4.480 -0.004 0.000 0.279 429 M C -1.571 174.615 176.300 -0.189 0.000 1.275 429 M CA -0.511 54.649 55.300 -0.233 0.000 0.829 429 M CB 2.225 34.733 32.600 -0.155 0.000 1.727 429 M HN 0.496 nan 8.290 nan 0.000 0.459 430 T N 0.133 114.601 114.554 -0.143 0.000 2.791 430 T HA 0.657 5.004 4.350 -0.004 0.000 0.288 430 T C -0.620 174.071 174.700 -0.014 0.000 0.999 430 T CA -0.640 61.436 62.100 -0.040 0.000 0.952 430 T CB 0.945 69.732 68.868 -0.134 0.000 0.938 430 T HN 0.530 nan 8.240 nan 0.000 0.444 431 V N 3.646 123.590 119.914 0.050 0.000 2.383 431 V HA 0.283 4.400 4.120 -0.004 0.000 0.275 431 V C 0.625 176.755 176.094 0.060 0.000 1.036 431 V CA -0.900 61.410 62.300 0.017 0.000 0.889 431 V CB 1.186 33.026 31.823 0.028 0.000 0.985 431 V HN 0.954 nan 8.190 nan 0.000 0.459 432 D N 3.877 124.266 120.400 -0.019 0.000 2.434 432 D HA 0.052 4.689 4.640 -0.004 0.000 0.252 432 D C 0.987 177.302 176.300 0.024 0.000 1.185 432 D CA 0.140 54.144 54.000 0.007 0.000 0.886 432 D CB 1.198 41.955 40.800 -0.072 0.000 1.148 432 D HN 0.502 nan 8.370 nan 0.000 0.483 433 L N 3.140 124.448 121.223 0.141 0.000 2.551 433 L HA -0.071 4.266 4.340 -0.004 0.000 0.228 433 L C 2.000 179.052 176.870 0.303 0.000 1.153 433 L CA 0.576 55.559 54.840 0.238 0.000 0.851 433 L CB -0.026 42.125 42.059 0.154 0.000 0.959 433 L HN 0.484 nan 8.230 nan 0.000 0.451 434 E N -0.475 119.828 120.200 0.173 0.000 2.094 434 E HA -0.115 4.232 4.350 -0.004 0.000 0.193 434 E C 2.187 178.868 176.600 0.135 0.000 0.950 434 E CA 1.164 57.665 56.400 0.168 0.000 0.842 434 E CB 0.235 29.984 29.700 0.082 0.000 0.816 434 E HN 0.371 nan 8.360 nan 0.000 0.465 435 T N -2.845 111.673 114.554 -0.060 0.000 2.770 435 T HA 0.112 4.460 4.350 -0.004 0.000 0.258 435 T C 1.615 175.942 174.700 -0.621 0.000 1.039 435 T CA 1.350 63.342 62.100 -0.180 0.000 1.143 435 T CB 0.191 68.975 68.868 -0.140 0.000 0.866 435 T HN 0.362 nan 8.240 nan 0.000 0.428 436 G N 1.048 109.297 108.800 -0.918 0.000 2.211 436 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.201 436 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.201 436 G C 0.031 174.575 174.900 -0.593 0.000 0.997 436 G CA 0.120 44.289 45.100 -1.551 0.000 0.652 436 G HN 0.830 nan 8.290 nan 0.000 0.500 437 K N 2.464 122.652 120.400 -0.353 0.000 2.412 437 K HA 0.343 4.660 4.320 -0.004 0.000 0.284 437 K C -1.932 174.582 176.600 -0.143 0.000 1.046 437 K CA -1.010 55.162 56.287 -0.191 0.000 0.999 437 K CB 0.933 33.352 32.500 -0.136 0.000 0.941 437 K HN 0.212 nan 8.250 nan 0.000 0.474 438 P HA 0.185 nan 4.420 nan 0.000 0.278 438 P C -1.154 176.092 177.300 -0.090 0.000 1.258 438 P CA -0.471 62.576 63.100 -0.088 0.000 0.811 438 P CB 1.203 32.859 31.700 -0.073 0.000 1.063 439 T N 0.203 114.696 114.554 -0.101 0.000 3.348 439 T HA 0.185 4.532 4.350 -0.004 0.000 0.328 439 T C -0.264 174.344 174.700 -0.153 0.000 0.913 439 T CA -0.397 61.634 62.100 -0.115 0.000 1.043 439 T CB 0.442 69.242 68.868 -0.114 0.000 1.021 439 T HN 0.078 nan 8.240 nan 0.000 0.461 440 V N 4.888 124.718 119.914 -0.139 0.000 2.585 440 V HA 0.168 4.286 4.120 -0.004 0.000 0.296 440 V C 1.309 177.270 176.094 -0.222 0.000 1.035 440 V CA 0.377 62.580 62.300 -0.161 0.000 1.084 440 V CB 0.318 32.075 31.823 -0.111 0.000 0.953 440 V HN 0.830 nan 8.190 nan 0.000 0.483 441 I N 2.342 122.728 120.570 -0.306 0.000 2.499 441 I HA 0.229 4.397 4.170 -0.004 0.000 0.243 441 I C 0.996 176.968 176.117 -0.242 0.000 1.085 441 I CA 0.730 61.769 61.300 -0.434 0.000 1.422 441 I CB 0.322 37.921 38.000 -0.668 0.000 1.165 441 I HN 0.700 nan 8.210 nan 0.000 0.440 442 E N 0.331 120.432 120.200 -0.166 0.000 2.412 442 E HA 0.443 4.790 4.350 -0.004 0.000 0.279 442 E C -1.087 175.552 176.600 0.064 0.000 0.984 442 E CA -0.761 55.629 56.400 -0.016 0.000 0.788 442 E CB 2.507 32.247 29.700 0.066 0.000 1.277 442 E HN -0.037 nan 8.360 nan 0.000 0.455 443 R N 1.708 122.312 120.500 0.173 0.000 2.532 443 R HA 0.392 4.729 4.340 -0.004 0.000 0.297 443 R C -1.274 175.219 176.300 0.321 0.000 0.984 443 R CA -0.414 55.803 56.100 0.195 0.000 0.884 443 R CB 2.000 32.361 30.300 0.103 0.000 1.182 443 R HN 0.444 nan 8.270 nan 0.000 0.442 444 S N 1.806 117.632 115.700 0.210 0.000 2.646 444 S HA 0.290 4.758 4.470 -0.004 0.000 0.276 444 S C 0.653 175.329 174.600 0.128 0.000 1.222 444 S CA -0.719 57.439 58.200 -0.070 0.000 1.014 444 S CB 0.813 63.699 63.200 -0.524 0.000 0.991 444 S HN 0.780 nan 8.310 nan 0.000 0.533 445 R N 1.146 121.671 120.500 0.041 0.000 2.508 445 R HA 0.384 4.721 4.340 -0.004 0.000 0.300 445 R C -0.020 176.362 176.300 0.136 0.000 0.970 445 R CA -0.325 55.891 56.100 0.193 0.000 1.102 445 R CB 0.123 30.484 30.300 0.102 0.000 1.246 445 R HN 0.445 nan 8.270 nan 0.000 0.539 446 E N 0.965 121.043 120.200 -0.204 0.000 2.288 446 E HA 0.331 4.679 4.350 -0.004 0.000 0.200 446 E C 0.497 176.620 176.600 -0.795 0.000 0.880 446 E CA 0.735 56.940 56.400 -0.326 0.000 0.971 446 E CB 0.939 30.458 29.700 -0.302 0.000 0.954 446 E HN 0.315 nan 8.360 nan 0.000 0.489 447 A N 0.376 122.389 122.820 -1.345 0.000 2.515 447 A HA 0.663 4.980 4.320 -0.004 0.000 0.299 447 A C -0.924 175.875 177.584 -1.309 0.000 1.179 447 A CA -0.710 50.474 52.037 -1.420 0.000 0.656 447 A CB 0.588 19.233 19.000 -0.593 0.000 1.306 447 A HN 0.007 nan 8.150 nan 0.000 0.459 448 M N 0.457 119.694 119.600 -0.606 0.000 2.241 448 M HA 0.348 4.825 4.480 -0.004 0.000 0.335 448 M C -0.519 175.709 176.300 -0.121 0.000 1.122 448 M CA 0.409 55.596 55.300 -0.188 0.000 1.164 448 M CB 0.401 32.976 32.600 -0.042 0.000 1.459 448 M HN 0.460 nan 8.290 nan 0.000 0.461 449 I N 2.103 122.672 120.570 -0.002 0.000 2.325 449 I HA 0.069 4.236 4.170 -0.004 0.000 0.285 449 I C 1.123 177.373 176.117 0.223 0.000 1.128 449 I CA -0.129 61.216 61.300 0.075 0.000 1.261 449 I CB -0.173 37.851 38.000 0.040 0.000 1.529 449 I HN 0.815 nan 8.210 nan 0.000 0.557 450 T N -2.158 112.501 114.554 0.175 0.000 3.065 450 T HA 0.032 4.379 4.350 -0.004 0.000 0.252 450 T C 0.647 175.372 174.700 0.041 0.000 1.099 450 T CA -0.040 62.167 62.100 0.178 0.000 1.063 450 T CB 0.031 68.952 68.868 0.087 0.000 0.948 450 T HN 0.252 nan 8.240 nan 0.000 0.506 451 D N 1.535 122.009 120.400 0.124 0.000 2.467 451 D HA 0.427 5.065 4.640 -0.004 0.000 0.220 451 D C -0.723 175.707 176.300 0.216 0.000 1.103 451 D CA -1.024 53.012 54.000 0.059 0.000 0.886 451 D CB -0.226 40.644 40.800 0.115 0.000 1.025 451 D HN 0.498 nan 8.370 nan 0.000 0.514 452 F N 0.014 120.054 119.950 0.150 0.000 2.685 452 F HA 0.736 5.261 4.527 -0.004 0.000 0.315 452 F C -0.717 175.194 175.800 0.184 0.000 1.126 452 F CA -1.017 57.109 58.000 0.211 0.000 0.950 452 F CB 1.847 40.988 39.000 0.235 0.000 1.360 452 F HN -0.005 nan 8.300 nan 0.000 0.469 453 T N 1.248 116.126 114.554 0.541 0.000 2.889 453 T HA 0.675 5.022 4.350 -0.004 0.000 0.315 453 T C -1.691 173.355 174.700 0.577 0.000 1.291 453 T CA -0.602 61.765 62.100 0.444 0.000 1.028 453 T CB 1.436 70.472 68.868 0.279 0.000 1.235 453 T HN 0.700 nan 8.240 nan 0.000 0.491 454 I N 3.587 124.448 120.570 0.486 0.000 2.404 454 I HA 0.379 4.547 4.170 -0.004 0.000 0.293 454 I C 0.870 177.192 176.117 0.341 0.000 0.992 454 I CA -0.933 60.623 61.300 0.425 0.000 1.149 454 I CB 2.064 40.229 38.000 0.276 0.000 1.315 454 I HN 0.756 nan 8.210 nan 0.000 0.446 455 S N 2.508 118.249 115.700 0.067 0.000 2.573 455 S HA 0.027 4.494 4.470 -0.004 0.000 0.277 455 S C 0.524 175.130 174.600 0.009 0.000 1.346 455 S CA -0.506 57.559 58.200 -0.226 0.000 1.034 455 S CB 0.884 63.677 63.200 -0.678 0.000 0.879 455 S HN 0.584 nan 8.310 nan 0.000 0.528 456 D N 1.519 121.953 120.400 0.057 0.000 2.221 456 D HA -0.108 4.530 4.640 -0.004 0.000 0.204 456 D C 1.276 177.599 176.300 0.039 0.000 0.982 456 D CA 1.479 55.518 54.000 0.066 0.000 0.857 456 D CB -0.428 40.423 40.800 0.086 0.000 0.934 456 D HN 0.842 nan 8.370 nan 0.000 0.475 457 N N -0.803 117.910 118.700 0.022 0.000 2.313 457 N HA 0.019 4.756 4.740 -0.004 0.000 0.207 457 N C -0.161 175.343 175.510 -0.011 0.000 1.141 457 N CA 0.018 53.076 53.050 0.013 0.000 0.830 457 N CB 0.209 38.715 38.487 0.031 0.000 1.008 457 N HN -0.270 nan 8.380 nan 0.000 0.481 458 S N -0.935 114.776 115.700 0.019 0.000 3.402 458 S HA -0.269 4.199 4.470 -0.004 0.000 0.329 458 S C 1.041 175.662 174.600 0.035 0.000 1.194 458 S CA 1.192 59.465 58.200 0.121 0.000 0.951 458 S CB -1.227 62.095 63.200 0.204 0.000 0.975 458 S HN 0.787 nan 8.310 nan 0.000 0.574 459 R N -0.700 119.663 120.500 -0.228 0.000 2.225 459 R HA 0.305 4.642 4.340 -0.004 0.000 0.194 459 R C -0.142 175.690 176.300 -0.779 0.000 0.957 459 R CA 0.579 56.327 56.100 -0.586 0.000 1.042 459 R CB 0.387 30.128 30.300 -0.931 0.000 1.004 459 R HN 0.369 nan 8.270 nan 0.000 0.509 460 F N 0.374 120.206 119.950 -0.196 0.000 2.522 460 F HA 0.508 5.032 4.527 -0.004 0.000 0.324 460 F C -0.276 175.593 175.800 0.114 0.000 1.077 460 F CA -1.113 56.804 58.000 -0.138 0.000 0.944 460 F CB 1.940 40.732 39.000 -0.347 0.000 1.175 460 F HN -0.228 nan 8.300 nan 0.000 0.468 461 I N 2.414 123.305 120.570 0.534 0.000 2.476 461 I HA 0.504 4.671 4.170 -0.004 0.000 0.281 461 I C -0.642 175.885 176.117 0.684 0.000 1.040 461 I CA -0.609 61.062 61.300 0.620 0.000 1.094 461 I CB 1.504 39.832 38.000 0.547 0.000 1.219 461 I HN 0.682 nan 8.210 nan 0.000 0.450 462 A N 6.775 129.989 122.820 0.658 0.000 2.306 462 A HA 0.887 5.204 4.320 -0.004 0.000 0.314 462 A C -1.135 176.676 177.584 0.378 0.000 1.164 462 A CA -0.225 52.005 52.037 0.321 0.000 0.822 462 A CB 0.665 19.674 19.000 0.015 0.000 1.130 462 A HN 0.710 nan 8.150 nan 0.000 0.496 463 Y N -1.144 119.275 120.300 0.199 0.000 2.624 463 Y HA 0.650 5.198 4.550 -0.005 0.000 0.334 463 Y C 0.089 176.050 175.900 0.102 0.000 1.155 463 Y CA -0.939 57.281 58.100 0.200 0.000 1.046 463 Y CB 0.581 39.202 38.460 0.268 0.000 1.316 463 Y HN 0.867 nan 8.280 nan 0.000 0.457 464 G N 1.482 110.414 108.800 0.220 0.000 2.355 464 G HA2 0.392 4.349 3.960 -0.004 0.000 0.276 464 G HA3 0.392 4.349 3.960 -0.004 0.000 0.276 464 G C -1.866 173.106 174.900 0.120 0.000 1.198 464 G CA -0.349 44.788 45.100 0.062 0.000 0.876 464 G HN 0.687 nan 8.290 nan 0.000 0.478 465 F N 6.236 126.057 119.950 -0.216 0.000 2.325 465 F HA 0.455 4.980 4.527 -0.004 0.000 0.369 465 F C -1.969 173.695 175.800 -0.227 0.000 1.095 465 F CA -2.956 54.895 58.000 -0.248 0.000 1.082 465 F CB 2.130 40.707 39.000 -0.705 0.000 1.289 465 F HN 0.260 nan 8.300 nan 0.000 0.462 466 P HA 0.230 nan 4.420 nan 0.000 0.271 466 P C -1.411 175.489 177.300 -0.667 0.000 1.216 466 P CA 0.086 62.860 63.100 -0.543 0.000 0.771 466 P CB 1.415 32.836 31.700 -0.465 0.000 0.864 467 L N 0.233 121.248 121.223 -0.346 0.000 2.568 467 L HA 0.749 5.087 4.340 -0.004 0.000 0.257 467 L C -1.012 175.747 176.870 -0.184 0.000 1.024 467 L CA -0.810 53.897 54.840 -0.223 0.000 0.854 467 L CB 1.957 43.990 42.059 -0.042 0.000 1.460 467 L HN 0.119 nan 8.230 nan 0.000 0.409 468 K N -0.075 120.234 120.400 -0.151 0.000 2.464 468 K HA 0.442 4.759 4.320 -0.004 0.000 0.253 468 K C -0.172 176.352 176.600 -0.128 0.000 0.933 468 K CA -0.851 55.351 56.287 -0.142 0.000 0.801 468 K CB 1.910 34.374 32.500 -0.060 0.000 1.271 468 K HN 0.701 nan 8.250 nan 0.000 0.430 469 H N 0.623 119.708 119.070 0.026 0.000 2.357 469 H HA -0.013 4.540 4.556 -0.005 0.000 0.301 469 H C 0.944 176.284 175.328 0.020 0.000 1.082 469 H CA 1.117 57.179 56.048 0.023 0.000 1.342 469 H CB 0.464 30.239 29.762 0.021 0.000 1.389 469 H HN 0.689 nan 8.280 nan 0.000 0.511 470 G N -0.426 108.454 108.800 0.133 0.000 2.498 470 G HA2 0.212 4.169 3.960 -0.004 0.000 0.312 470 G HA3 0.212 4.169 3.960 -0.004 0.000 0.312 470 G C 0.638 175.560 174.900 0.036 0.000 1.230 470 G CA -0.370 44.774 45.100 0.074 0.000 0.968 470 G HN 0.177 nan 8.290 nan 0.000 0.481 471 E N -0.330 119.881 120.200 0.019 0.000 2.085 471 E HA -0.164 4.183 4.350 -0.004 0.000 0.194 471 E C 1.650 178.243 176.600 -0.011 0.000 0.994 471 E CA 1.770 58.169 56.400 -0.001 0.000 0.801 471 E CB 0.028 29.721 29.700 -0.011 0.000 0.743 471 E HN 0.459 nan 8.360 nan 0.000 0.453 472 T N -0.678 113.872 114.554 -0.007 0.000 3.264 472 T HA 0.174 4.521 4.350 -0.004 0.000 0.257 472 T C 0.083 174.785 174.700 0.003 0.000 0.976 472 T CA -0.558 61.532 62.100 -0.016 0.000 0.908 472 T CB 0.131 68.986 68.868 -0.023 0.000 1.082 472 T HN -0.045 nan 8.240 nan 0.000 0.567 473 D N 1.082 121.493 120.400 0.018 0.000 2.414 473 D HA 0.195 4.833 4.640 -0.004 0.000 0.242 473 D C 1.289 177.601 176.300 0.020 0.000 1.129 473 D CA 0.332 54.361 54.000 0.048 0.000 0.885 473 D CB 1.510 42.352 40.800 0.071 0.000 1.198 473 D HN 0.393 nan 8.370 nan 0.000 0.437 474 G N 2.389 111.219 108.800 0.049 0.000 2.551 474 G HA2 -0.110 3.847 3.960 -0.004 0.000 0.216 474 G HA3 -0.110 3.847 3.960 -0.004 0.000 0.216 474 G C 0.098 174.843 174.900 -0.258 0.000 1.137 474 G CA 0.589 45.643 45.100 -0.075 0.000 0.798 474 G HN 0.424 nan 8.290 nan 0.000 0.536 475 Y N -1.315 118.985 120.300 0.000 0.000 2.524 475 Y HA 0.573 5.120 4.550 -0.005 0.000 0.344 475 Y C -0.396 175.484 175.900 -0.033 0.000 1.012 475 Y CA -1.034 57.057 58.100 -0.015 0.000 1.068 475 Y CB 2.496 40.956 38.460 0.002 0.000 1.249 475 Y HN -0.200 nan 8.280 nan 0.000 0.468 476 V N 4.803 124.767 119.914 0.084 0.000 2.347 476 V HA 0.289 4.407 4.120 -0.004 0.000 0.280 476 V C -0.099 176.013 176.094 0.030 0.000 1.021 476 V CA -0.789 61.511 62.300 -0.000 0.000 0.847 476 V CB 0.758 32.539 31.823 -0.069 0.000 0.990 476 V HN 0.678 nan 8.190 nan 0.000 0.444 477 M N 3.616 123.200 119.600 -0.027 0.000 2.245 477 M HA 0.508 4.985 4.480 -0.004 0.000 0.292 477 M C -0.224 176.036 176.300 -0.067 0.000 1.176 477 M CA -0.154 55.136 55.300 -0.017 0.000 1.035 477 M CB 0.597 33.150 32.600 -0.078 0.000 1.440 477 M HN 0.716 nan 8.290 nan 0.000 0.494 478 Q N 0.112 119.863 119.800 -0.082 0.000 2.268 478 Q HA 0.688 5.025 4.340 -0.004 0.000 0.266 478 Q C -2.097 173.820 176.000 -0.139 0.000 1.006 478 Q CA -0.453 55.244 55.803 -0.176 0.000 0.824 478 Q CB 2.187 30.701 28.738 -0.374 0.000 1.306 478 Q HN 0.849 nan 8.270 nan 0.000 0.424 479 A N 4.604 127.362 122.820 -0.103 0.000 2.355 479 A HA 0.650 4.967 4.320 -0.004 0.000 0.317 479 A C -0.737 176.767 177.584 -0.133 0.000 1.094 479 A CA -0.702 51.284 52.037 -0.084 0.000 0.764 479 A CB 0.924 19.939 19.000 0.024 0.000 1.230 479 A HN 0.716 nan 8.150 nan 0.000 0.448 480 I N 2.670 123.133 120.570 -0.179 0.000 2.529 480 I HA 0.220 4.387 4.170 -0.004 0.000 0.284 480 I C -0.140 175.940 176.117 -0.062 0.000 1.082 480 I CA 0.219 61.384 61.300 -0.225 0.000 1.406 480 I CB 0.170 37.932 38.000 -0.396 0.000 1.405 480 I HN 0.568 nan 8.210 nan 0.000 0.548 481 H N 4.224 122.992 119.070 -0.502 0.000 2.569 481 H HA 0.618 5.172 4.556 -0.004 0.000 0.357 481 H C -0.737 174.309 175.328 -0.470 0.000 1.153 481 H CA -0.804 54.925 56.048 -0.531 0.000 1.193 481 H CB 2.183 31.504 29.762 -0.736 0.000 1.602 481 H HN 0.193 nan 8.280 nan 0.000 0.523 482 V N 3.478 123.388 119.914 -0.007 0.000 2.443 482 V HA 0.116 4.233 4.120 -0.004 0.000 0.293 482 V C -1.050 175.277 176.094 0.389 0.000 1.021 482 V CA -0.895 61.519 62.300 0.189 0.000 0.848 482 V CB 1.173 33.078 31.823 0.137 0.000 0.998 482 V HN 0.632 nan 8.190 nan 0.000 0.424 483 Y N 3.816 124.329 120.300 0.354 0.000 2.320 483 Y HA 0.552 5.099 4.550 -0.005 0.000 0.334 483 Y C -0.059 176.032 175.900 0.317 0.000 1.055 483 Y CA -0.838 57.457 58.100 0.325 0.000 1.143 483 Y CB 1.307 39.947 38.460 0.299 0.000 1.193 483 Y HN 0.670 nan 8.280 nan 0.000 0.477 484 D N 6.564 126.784 120.400 -0.300 0.000 2.329 484 D HA 0.131 4.769 4.640 -0.004 0.000 0.232 484 D C 0.850 176.684 176.300 -0.777 0.000 1.088 484 D CA -0.265 53.535 54.000 -0.334 0.000 0.835 484 D CB 1.078 41.880 40.800 0.003 0.000 1.078 484 D HN 0.675 nan 8.370 nan 0.000 0.495 485 M N 1.825 121.034 119.600 -0.651 0.000 2.202 485 M HA -0.123 4.355 4.480 -0.004 0.000 0.262 485 M C 0.284 176.372 176.300 -0.352 0.000 1.063 485 M CA 1.335 56.335 55.300 -0.500 0.000 1.097 485 M CB -0.523 31.859 32.600 -0.363 0.000 1.382 485 M HN 0.382 nan 8.290 nan 0.000 0.413 486 E N -0.457 119.553 120.200 -0.318 0.000 2.174 486 E HA 0.439 4.786 4.350 -0.004 0.000 0.282 486 E C 0.928 177.443 176.600 -0.142 0.000 0.992 486 E CA 0.194 56.479 56.400 -0.192 0.000 0.803 486 E CB 0.905 30.506 29.700 -0.164 0.000 1.090 486 E HN 0.430 nan 8.360 nan 0.000 0.396 487 G N 3.738 112.484 108.800 -0.091 0.000 2.284 487 G HA2 -0.399 3.558 3.960 -0.004 0.000 0.230 487 G HA3 -0.399 3.558 3.960 -0.004 0.000 0.230 487 G C 0.431 175.298 174.900 -0.055 0.000 1.021 487 G CA -0.083 44.994 45.100 -0.038 0.000 0.619 487 G HN 0.593 nan 8.290 nan 0.000 0.510 488 R N 0.002 120.413 120.500 -0.147 0.000 3.251 488 R HA -0.200 4.137 4.340 -0.004 0.000 0.249 488 R C 0.141 176.460 176.300 0.031 0.000 0.949 488 R CA 1.679 57.710 56.100 -0.116 0.000 0.645 488 R CB -1.961 28.370 30.300 0.052 0.000 1.065 488 R HN 0.870 nan 8.270 nan 0.000 0.452 489 K N 0.114 120.483 120.400 -0.051 0.000 2.375 489 K HA 0.608 4.925 4.320 -0.004 0.000 0.249 489 K C -0.273 176.292 176.600 -0.059 0.000 0.942 489 K CA -1.011 55.226 56.287 -0.084 0.000 0.806 489 K CB 2.059 34.390 32.500 -0.283 0.000 1.227 489 K HN 0.002 nan 8.250 nan 0.000 0.430 490 I N 2.743 123.237 120.570 -0.126 0.000 2.342 490 I HA 0.294 4.462 4.170 -0.004 0.000 0.291 490 I C -0.760 175.141 176.117 -0.360 0.000 1.010 490 I CA -0.704 60.573 61.300 -0.039 0.000 1.308 490 I CB 0.340 38.326 38.000 -0.024 0.000 1.400 490 I HN 0.432 nan 8.210 nan 0.000 0.488 491 F N 3.821 123.715 119.950 -0.092 0.000 2.523 491 F HA 0.640 5.164 4.527 -0.005 0.000 0.329 491 F C 0.502 176.151 175.800 -0.252 0.000 1.061 491 F CA -0.880 57.038 58.000 -0.137 0.000 0.967 491 F CB 1.459 40.419 39.000 -0.067 0.000 1.218 491 F HN 0.372 nan 8.300 nan 0.000 0.480 492 A N 0.892 123.696 122.820 -0.028 0.000 2.279 492 A HA 0.621 4.939 4.320 -0.004 0.000 0.306 492 A C 0.657 178.269 177.584 0.046 0.000 1.300 492 A CA 0.092 52.052 52.037 -0.128 0.000 0.925 492 A CB 0.212 19.099 19.000 -0.189 0.000 1.152 492 A HN 0.963 nan 8.150 nan 0.000 0.544 493 A N 2.565 125.367 122.820 -0.030 0.000 1.975 493 A HA 0.344 4.661 4.320 -0.004 0.000 0.215 493 A C 1.367 178.908 177.584 -0.071 0.000 1.170 493 A CA 1.748 53.745 52.037 -0.067 0.000 0.656 493 A CB -0.229 18.645 19.000 -0.210 0.000 0.821 493 A HN 1.353 nan 8.150 nan 0.000 0.449 494 T N -3.627 110.852 114.554 -0.125 0.000 2.841 494 T HA 0.524 4.871 4.350 -0.004 0.000 0.296 494 T C 0.011 174.602 174.700 -0.181 0.000 1.166 494 T CA 0.066 62.086 62.100 -0.133 0.000 1.007 494 T CB 1.053 69.766 68.868 -0.259 0.000 1.253 494 T HN 0.439 nan 8.240 nan 0.000 0.511 495 T N -0.633 113.814 114.554 -0.178 0.000 2.754 495 T HA 0.372 4.720 4.350 -0.004 0.000 0.286 495 T C 0.283 174.922 174.700 -0.102 0.000 0.997 495 T CA -0.699 61.274 62.100 -0.211 0.000 0.982 495 T CB 0.284 69.070 68.868 -0.135 0.000 1.027 495 T HN 0.834 nan 8.240 nan 0.000 0.529 496 E N 0.232 120.402 120.200 -0.051 0.000 2.947 496 E HA 0.273 4.620 4.350 -0.004 0.000 0.229 496 E C -0.386 176.253 176.600 0.065 0.000 1.158 496 E CA -0.449 55.947 56.400 -0.007 0.000 1.441 496 E CB -0.556 29.133 29.700 -0.019 0.000 1.414 496 E HN 0.681 nan 8.360 nan 0.000 0.432 497 N N 0.371 119.104 118.700 0.056 0.000 2.197 497 N HA -0.010 4.727 4.740 -0.004 0.000 0.201 497 N C 0.220 175.764 175.510 0.057 0.000 1.148 497 N CA 0.273 53.379 53.050 0.094 0.000 0.883 497 N CB 0.849 39.367 38.487 0.053 0.000 1.012 497 N HN 0.292 nan 8.380 nan 0.000 0.507 498 S N -1.313 114.416 115.700 0.048 0.000 4.185 498 S HA 0.223 4.690 4.470 -0.004 0.000 0.278 498 S C -1.267 173.419 174.600 0.144 0.000 1.080 498 S CA -0.735 57.514 58.200 0.081 0.000 1.356 498 S CB 1.375 64.624 63.200 0.082 0.000 1.483 498 S HN 0.043 nan 8.310 nan 0.000 0.715 499 H N 1.832 120.978 119.070 0.126 0.000 2.860 499 H HA 0.501 5.054 4.556 -0.004 0.000 0.312 499 H C -1.803 173.723 175.328 0.330 0.000 0.995 499 H CA -0.303 55.859 56.048 0.190 0.000 1.311 499 H CB 0.705 30.588 29.762 0.201 0.000 1.478 499 H HN 0.542 nan 8.280 nan 0.000 0.508 500 D N 5.907 126.329 120.400 0.037 0.000 2.278 500 D HA 0.231 4.868 4.640 -0.004 0.000 0.245 500 D C -0.226 176.161 176.300 0.144 0.000 1.052 500 D CA -0.128 53.965 54.000 0.154 0.000 0.834 500 D CB 2.097 42.869 40.800 -0.047 0.000 1.194 500 D HN 0.573 nan 8.370 nan 0.000 0.481 501 Y N -2.082 118.245 120.300 0.045 0.000 2.840 501 Y HA 0.556 5.103 4.550 -0.005 0.000 0.324 501 Y C -0.036 175.935 175.900 0.119 0.000 1.378 501 Y CA -1.491 56.636 58.100 0.044 0.000 1.077 501 Y CB 0.601 39.126 38.460 0.110 0.000 1.361 501 Y HN 0.382 nan 8.280 nan 0.000 0.459 502 A N 0.039 122.941 122.820 0.137 0.000 2.687 502 A HA -0.131 4.186 4.320 -0.004 0.000 0.299 502 A C -2.582 175.004 177.584 0.003 0.000 1.497 502 A CA 0.327 52.387 52.037 0.039 0.000 0.751 502 A CB -2.626 16.343 19.000 -0.051 0.000 1.048 502 A HN 0.586 nan 8.150 nan 0.000 0.464 503 P HA 0.457 nan 4.420 nan 0.000 0.269 503 P C -0.162 177.111 177.300 -0.045 0.000 1.215 503 P CA 0.834 63.925 63.100 -0.015 0.000 0.780 503 P CB 1.218 32.874 31.700 -0.074 0.000 0.898 504 A N 2.205 124.963 122.820 -0.104 0.000 2.513 504 A HA 0.624 4.941 4.320 -0.004 0.000 0.296 504 A C -1.217 176.322 177.584 -0.075 0.000 1.052 504 A CA -0.560 51.444 52.037 -0.054 0.000 0.714 504 A CB 0.603 19.616 19.000 0.021 0.000 1.279 504 A HN 0.318 nan 8.150 nan 0.000 0.397 505 F N 1.487 121.548 119.950 0.185 0.000 2.378 505 F HA 0.476 5.001 4.527 -0.004 0.000 0.325 505 F C 0.747 176.660 175.800 0.189 0.000 1.097 505 F CA -0.091 58.031 58.000 0.204 0.000 1.079 505 F CB 1.351 40.460 39.000 0.182 0.000 1.240 505 F HN 0.706 nan 8.300 nan 0.000 0.519 506 D N 0.814 121.478 120.400 0.440 0.000 2.340 506 D HA 0.367 5.005 4.640 -0.004 0.000 0.251 506 D C 0.772 177.211 176.300 0.231 0.000 1.080 506 D CA -0.467 53.702 54.000 0.282 0.000 0.971 506 D CB 0.853 41.842 40.800 0.316 0.000 1.137 506 D HN 0.552 nan 8.370 nan 0.000 0.475 507 A N 1.009 123.922 122.820 0.155 0.000 1.884 507 A HA -0.283 4.034 4.320 -0.004 0.000 0.219 507 A C 1.539 179.200 177.584 0.128 0.000 1.197 507 A CA 2.083 54.195 52.037 0.125 0.000 0.637 507 A CB -0.882 18.171 19.000 0.088 0.000 0.827 507 A HN 0.627 nan 8.150 nan 0.000 0.450 508 D N -0.453 120.025 120.400 0.129 0.000 2.378 508 D HA 0.076 4.713 4.640 -0.004 0.000 0.222 508 D C 0.515 176.909 176.300 0.156 0.000 0.980 508 D CA 1.118 55.189 54.000 0.119 0.000 0.907 508 D CB -0.175 40.685 40.800 0.100 0.000 0.899 508 D HN 0.314 nan 8.370 nan 0.000 0.527 509 S N -1.067 114.751 115.700 0.197 0.000 3.749 509 S HA -0.212 4.255 4.470 -0.004 0.000 0.348 509 S C 1.079 175.854 174.600 0.292 0.000 1.045 509 S CA 0.556 58.891 58.200 0.225 0.000 1.051 509 S CB -1.208 62.101 63.200 0.181 0.000 0.898 509 S HN 0.454 nan 8.310 nan 0.000 0.472 510 K N -0.367 120.183 120.400 0.250 0.000 2.391 510 K HA 0.193 4.510 4.320 -0.004 0.000 0.197 510 K C 0.096 176.799 176.600 0.170 0.000 1.087 510 K CA 0.255 56.668 56.287 0.210 0.000 1.012 510 K CB 0.304 32.875 32.500 0.118 0.000 0.925 510 K HN 0.463 nan 8.250 nan 0.000 0.547 511 N N 0.453 119.275 118.700 0.205 0.000 2.329 511 N HA 0.320 5.057 4.740 -0.004 0.000 0.282 511 N C -2.045 173.563 175.510 0.164 0.000 1.198 511 N CA -0.737 52.365 53.050 0.086 0.000 0.790 511 N CB 2.187 40.629 38.487 -0.075 0.000 1.579 511 N HN -0.130 nan 8.380 nan 0.000 0.475 512 L N 2.081 123.299 121.223 -0.009 0.000 2.316 512 L HA 0.552 4.889 4.340 -0.004 0.000 0.280 512 L C -1.724 175.108 176.870 -0.064 0.000 1.006 512 L CA -0.460 54.334 54.840 -0.078 0.000 0.836 512 L CB -0.056 41.896 42.059 -0.178 0.000 1.221 512 L HN 0.493 nan 8.230 nan 0.000 0.418 513 Y N 5.146 125.432 120.300 -0.024 0.000 2.403 513 Y HA 0.661 5.208 4.550 -0.005 0.000 0.323 513 Y C -0.155 175.778 175.900 0.055 0.000 1.226 513 Y CA 0.046 58.140 58.100 -0.011 0.000 1.235 513 Y CB 1.302 39.724 38.460 -0.062 0.000 1.248 513 Y HN 0.658 nan 8.280 nan 0.000 0.489 514 Y N -1.744 118.583 120.300 0.044 0.000 2.818 514 Y HA 0.751 5.299 4.550 -0.004 0.000 0.341 514 Y C -2.344 173.491 175.900 -0.108 0.000 1.283 514 Y CA -1.882 56.170 58.100 -0.080 0.000 1.075 514 Y CB 0.825 39.213 38.460 -0.120 0.000 1.370 514 Y HN 0.395 nan 8.280 nan 0.000 0.448 515 L N 1.964 123.052 121.223 -0.225 0.000 2.301 515 L HA 0.918 5.255 4.340 -0.004 0.000 0.264 515 L C -0.806 175.905 176.870 -0.265 0.000 1.016 515 L CA -0.949 53.642 54.840 -0.416 0.000 0.821 515 L CB 2.410 43.985 42.059 -0.806 0.000 1.346 515 L HN 0.945 nan 8.230 nan 0.000 0.429 516 S N -1.077 114.622 115.700 -0.002 0.000 2.543 516 S HA 0.402 4.870 4.470 -0.004 0.000 0.274 516 S C -1.304 173.424 174.600 0.214 0.000 1.149 516 S CA -0.776 57.582 58.200 0.263 0.000 0.866 516 S CB 0.818 64.148 63.200 0.218 0.000 1.111 516 S HN 0.393 nan 8.310 nan 0.000 0.457 517 Y N 1.360 121.891 120.300 0.385 0.000 2.903 517 Y HA 0.387 4.934 4.550 -0.005 0.000 0.387 517 Y C 1.633 177.594 175.900 0.102 0.000 1.189 517 Y CA -0.497 57.730 58.100 0.212 0.000 1.856 517 Y CB -0.189 38.347 38.460 0.128 0.000 1.917 517 Y HN 0.618 nan 8.280 nan 0.000 0.448 518 R N -1.335 119.298 120.500 0.222 0.000 2.279 518 R HA 0.141 4.478 4.340 -0.004 0.000 0.195 518 R C 0.654 177.019 176.300 0.108 0.000 0.905 518 R CA 0.077 56.252 56.100 0.125 0.000 1.044 518 R CB 0.407 30.767 30.300 0.100 0.000 1.056 518 R HN 0.036 nan 8.270 nan 0.000 0.535 519 S N 2.480 118.275 115.700 0.159 0.000 3.829 519 S HA 0.162 4.630 4.470 -0.004 0.000 0.250 519 S C 0.146 174.803 174.600 0.094 0.000 1.263 519 S CA -0.012 58.265 58.200 0.128 0.000 0.955 519 S CB -0.373 62.907 63.200 0.132 0.000 1.611 519 S HN 0.174 nan 8.310 nan 0.000 0.483 520 L N 2.977 124.217 121.223 0.028 0.000 2.513 520 L HA 0.257 4.594 4.340 -0.004 0.000 0.272 520 L C 0.298 177.291 176.870 0.205 0.000 1.187 520 L CA 0.129 54.975 54.840 0.010 0.000 0.895 520 L CB 0.172 42.135 42.059 -0.160 0.000 1.147 520 L HN 0.353 nan 8.230 nan 0.000 0.483 521 D N 4.529 125.164 120.400 0.391 0.000 2.804 521 D HA 0.275 4.912 4.640 -0.004 0.000 0.209 521 D C -2.736 173.733 176.300 0.282 0.000 1.314 521 D CA -1.007 53.160 54.000 0.278 0.000 0.894 521 D CB 2.475 43.379 40.800 0.175 0.000 1.615 521 D HN 0.083 nan 8.370 nan 0.000 0.571 522 P HA 0.319 nan 4.420 nan 0.000 0.278 522 P C -0.694 176.651 177.300 0.076 0.000 1.238 522 P CA -0.448 62.616 63.100 -0.059 0.000 0.794 522 P CB 1.092 32.692 31.700 -0.167 0.000 0.955 523 S N 3.234 118.979 115.700 0.075 0.000 2.472 523 S HA 0.498 4.965 4.470 -0.004 0.000 0.303 523 S C -2.364 172.301 174.600 0.108 0.000 1.099 523 S CA -1.319 56.938 58.200 0.094 0.000 1.077 523 S CB 1.264 64.487 63.200 0.038 0.000 1.031 523 S HN 0.441 nan 8.310 nan 0.000 0.487 524 P HA 0.126 nan 4.420 nan 0.000 0.275 524 P C -1.003 176.129 177.300 -0.279 0.000 1.227 524 P CA -0.305 62.673 63.100 -0.202 0.000 0.781 524 P CB 0.590 32.263 31.700 -0.045 0.000 0.906 525 D N 2.908 123.032 120.400 -0.460 0.000 2.264 525 D HA 0.057 4.694 4.640 -0.004 0.000 0.250 525 D C 0.982 177.141 176.300 -0.235 0.000 1.113 525 D CA -0.333 53.484 54.000 -0.305 0.000 0.871 525 D CB 0.838 41.431 40.800 -0.345 0.000 1.167 525 D HN 0.104 nan 8.370 nan 0.000 0.447 526 R N 2.801 123.212 120.500 -0.147 0.000 2.307 526 R HA 0.047 4.384 4.340 -0.004 0.000 0.199 526 R C 1.054 177.302 176.300 -0.086 0.000 1.000 526 R CA 0.253 56.292 56.100 -0.101 0.000 1.023 526 R CB -0.048 30.215 30.300 -0.061 0.000 0.908 526 R HN 0.340 nan 8.270 nan 0.000 0.473 527 V N -0.648 119.204 119.914 -0.104 0.000 2.948 527 V HA 0.133 4.250 4.120 -0.004 0.000 0.234 527 V C 0.687 176.735 176.094 -0.077 0.000 1.205 527 V CA 0.337 62.596 62.300 -0.068 0.000 1.234 527 V CB 0.626 32.424 31.823 -0.041 0.000 1.020 527 V HN -0.203 nan 8.190 nan 0.000 0.491 528 V N 1.888 121.711 119.914 -0.151 0.000 2.612 528 V HA 0.419 4.536 4.120 -0.004 0.000 0.301 528 V C -0.171 175.816 176.094 -0.178 0.000 1.046 528 V CA -0.716 61.493 62.300 -0.152 0.000 0.946 528 V CB 1.854 33.468 31.823 -0.348 0.000 1.003 528 V HN 0.332 nan 8.190 nan 0.000 0.459 529 L N 5.094 126.261 121.223 -0.093 0.000 2.678 529 L HA 0.288 4.625 4.340 -0.004 0.000 0.276 529 L C -0.017 176.759 176.870 -0.157 0.000 1.142 529 L CA 1.176 55.950 54.840 -0.111 0.000 0.961 529 L CB -1.346 40.719 42.059 0.010 0.000 1.291 529 L HN 0.919 nan 8.230 nan 0.000 0.476 530 N N 3.237 121.704 118.700 -0.387 0.000 3.127 530 N HA 0.494 5.231 4.740 -0.004 0.000 0.239 530 N C -1.848 173.252 175.510 -0.684 0.000 1.407 530 N CA -0.642 52.224 53.050 -0.306 0.000 0.891 530 N CB 0.852 39.193 38.487 -0.243 0.000 1.447 530 N HN 0.261 nan 8.380 nan 0.000 0.507 531 F N 0.510 120.382 119.950 -0.131 0.000 2.631 531 F HA 0.583 5.108 4.527 -0.002 0.000 0.308 531 F C 0.057 175.701 175.800 -0.260 0.000 1.097 531 F CA -0.416 57.478 58.000 -0.177 0.000 0.952 531 F CB 2.098 40.989 39.000 -0.182 0.000 1.307 531 F HN 0.495 nan 8.300 nan 0.000 0.450 532 S N 0.277 115.894 115.700 -0.138 0.000 2.607 532 S HA 0.720 5.187 4.470 -0.004 0.000 0.273 532 S C -1.501 172.888 174.600 -0.351 0.000 1.148 532 S CA -0.862 57.169 58.200 -0.281 0.000 0.833 532 S CB 1.127 64.255 63.200 -0.121 0.000 1.130 532 S HN 0.346 nan 8.310 nan 0.000 0.470 533 F N 2.244 122.217 119.950 0.038 0.000 2.423 533 F HA 0.414 4.939 4.527 -0.003 0.000 0.356 533 F C 1.549 177.365 175.800 0.028 0.000 1.170 533 F CA -0.485 57.539 58.000 0.040 0.000 1.163 533 F CB 0.725 39.745 39.000 0.033 0.000 1.318 533 F HN 0.615 nan 8.300 nan 0.000 0.569 534 E N 1.749 122.041 120.200 0.153 0.000 2.079 534 E HA 0.022 4.369 4.350 -0.004 0.000 0.191 534 E C 0.873 177.547 176.600 0.123 0.000 0.961 534 E CA 0.832 57.291 56.400 0.099 0.000 0.823 534 E CB 0.084 29.812 29.700 0.048 0.000 0.789 534 E HN 0.331 nan 8.360 nan 0.000 0.459 535 V N 0.783 120.775 119.914 0.129 0.000 2.233 535 V HA 0.300 4.417 4.120 -0.004 0.000 0.261 535 V C 0.549 176.721 176.094 0.131 0.000 1.076 535 V CA -0.486 61.871 62.300 0.095 0.000 1.001 535 V CB 0.454 32.309 31.823 0.053 0.000 1.206 535 V HN 0.025 nan 8.190 nan 0.000 0.468 536 V N -0.695 119.335 119.914 0.194 0.000 3.070 536 V HA 0.483 4.600 4.120 -0.004 0.000 0.345 536 V C 0.564 176.776 176.094 0.196 0.000 1.403 536 V CA 0.434 62.858 62.300 0.206 0.000 1.155 536 V CB 0.195 32.156 31.823 0.230 0.000 1.140 536 V HN 0.584 nan 8.190 nan 0.000 0.505 537 S N 1.616 117.371 115.700 0.092 0.000 2.480 537 S HA 0.666 5.133 4.470 -0.004 0.000 0.286 537 S C -0.508 174.171 174.600 0.132 0.000 1.180 537 S CA -0.413 57.771 58.200 -0.028 0.000 1.075 537 S CB 1.036 64.105 63.200 -0.220 0.000 0.996 537 S HN 0.704 nan 8.310 nan 0.000 0.487 538 K N 4.400 124.900 120.400 0.168 0.000 2.523 538 K HA 0.548 4.865 4.320 -0.004 0.000 0.257 538 K C -2.959 173.621 176.600 -0.033 0.000 0.932 538 K CA -2.178 54.168 56.287 0.098 0.000 0.812 538 K CB 2.065 34.551 32.500 -0.023 0.000 1.326 538 K HN 0.373 nan 8.250 nan 0.000 0.433 539 P HA 0.312 nan 4.420 nan 0.000 0.277 539 P C -1.108 175.867 177.300 -0.542 0.000 1.240 539 P CA -0.217 62.698 63.100 -0.308 0.000 0.798 539 P CB 0.612 32.117 31.700 -0.325 0.000 0.979 540 F N 0.091 119.701 119.950 -0.566 0.000 2.643 540 F HA 0.570 5.094 4.527 -0.005 0.000 0.314 540 F C -0.117 175.332 175.800 -0.585 0.000 1.096 540 F CA -0.882 56.754 58.000 -0.607 0.000 0.953 540 F CB 2.044 40.534 39.000 -0.850 0.000 1.345 540 F HN 0.078 nan 8.300 nan 0.000 0.468 541 V N 2.580 122.391 119.914 -0.173 0.000 3.049 541 V HA 0.691 4.808 4.120 -0.004 0.000 0.309 541 V C -1.608 174.427 176.094 -0.099 0.000 1.148 541 V CA -0.707 61.413 62.300 -0.301 0.000 0.990 541 V CB 2.504 33.941 31.823 -0.644 0.000 1.039 541 V HN 0.599 nan 8.190 nan 0.000 0.430 542 I N 6.401 126.906 120.570 -0.108 0.000 2.500 542 I HA 0.425 4.592 4.170 -0.004 0.000 0.286 542 I C -2.647 173.421 176.117 -0.082 0.000 1.063 542 I CA -1.756 59.521 61.300 -0.037 0.000 1.062 542 I CB 2.806 40.824 38.000 0.029 0.000 1.223 542 I HN 0.468 nan 8.210 nan 0.000 0.435 543 P HA 0.190 nan 4.420 nan 0.000 0.282 543 P C 0.578 177.860 177.300 -0.030 0.000 1.262 543 P CA -0.236 62.837 63.100 -0.045 0.000 0.773 543 P CB 1.250 32.927 31.700 -0.039 0.000 0.879 544 L N 2.324 123.551 121.223 0.007 0.000 2.465 544 L HA -0.001 4.336 4.340 -0.004 0.000 0.224 544 L C 0.719 177.637 176.870 0.080 0.000 1.145 544 L CA 0.940 55.782 54.840 0.005 0.000 0.834 544 L CB -0.378 41.704 42.059 0.038 0.000 0.944 544 L HN 0.326 nan 8.230 nan 0.000 0.451 545 I N 0.132 120.730 120.570 0.045 0.000 2.359 545 I HA 0.309 4.476 4.170 -0.004 0.000 0.284 545 I C -2.247 173.859 176.117 -0.018 0.000 1.018 545 I CA -2.235 59.071 61.300 0.010 0.000 1.173 545 I CB 0.959 38.936 38.000 -0.039 0.000 1.326 545 I HN -0.298 nan 8.210 nan 0.000 0.462 546 P HA 0.126 nan 4.420 nan 0.000 0.263 546 P C 1.000 178.282 177.300 -0.030 0.000 1.175 546 P CA 0.823 63.902 63.100 -0.035 0.000 0.761 546 P CB 0.583 32.261 31.700 -0.037 0.000 0.794 547 G N 1.412 110.194 108.800 -0.030 0.000 2.241 547 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.244 547 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.244 547 G C 0.509 175.396 174.900 -0.022 0.000 0.998 547 G CA 0.164 45.249 45.100 -0.024 0.000 0.621 547 G HN 0.735 nan 8.290 nan 0.000 0.519 548 S N 2.958 118.644 115.700 -0.023 0.000 2.513 548 S HA 0.623 5.091 4.470 -0.004 0.000 0.276 548 S C -1.440 173.148 174.600 -0.019 0.000 1.254 548 S CA -0.622 57.567 58.200 -0.019 0.000 1.053 548 S CB 1.427 64.616 63.200 -0.018 0.000 0.958 548 S HN 0.422 nan 8.310 nan 0.000 0.491 549 P HA 0.189 nan 4.420 nan 0.000 0.279 549 P C -0.893 176.396 177.300 -0.017 0.000 1.276 549 P CA -0.822 62.269 63.100 -0.014 0.000 0.801 549 P CB 0.418 32.114 31.700 -0.007 0.000 1.127 550 N N 1.927 120.614 118.700 -0.022 0.000 2.427 550 N HA -0.002 4.735 4.740 -0.004 0.000 0.269 550 N C -1.233 174.276 175.510 -0.000 0.000 1.235 550 N CA -1.621 51.409 53.050 -0.034 0.000 0.934 550 N CB -0.076 38.388 38.487 -0.039 0.000 1.121 550 N HN 0.189 nan 8.380 nan 0.000 0.480 551 P HA -0.206 nan 4.420 nan 0.000 0.215 551 P C 1.071 178.417 177.300 0.078 0.000 1.157 551 P CA 1.943 65.079 63.100 0.060 0.000 0.874 551 P CB -0.360 31.402 31.700 0.103 0.000 0.790 552 T N -2.425 112.192 114.554 0.105 0.000 2.918 552 T HA -0.137 4.210 4.350 -0.004 0.000 0.271 552 T C 1.736 176.487 174.700 0.086 0.000 1.104 552 T CA 1.097 63.274 62.100 0.128 0.000 1.114 552 T CB -0.811 68.150 68.868 0.154 0.000 0.855 552 T HN 0.204 nan 8.240 nan 0.000 0.518 553 K N 0.675 121.103 120.400 0.046 0.000 2.362 553 K HA 0.209 4.527 4.320 -0.004 0.000 0.200 553 K C 0.694 177.312 176.600 0.029 0.000 1.046 553 K CA 0.405 56.710 56.287 0.030 0.000 0.952 553 K CB -0.434 32.073 32.500 0.012 0.000 0.753 553 K HN 0.428 nan 8.250 nan 0.000 0.466 554 L N 0.588 121.831 121.223 0.033 0.000 3.608 554 L HA -0.187 4.150 4.340 -0.004 0.000 0.422 554 L C -0.583 176.296 176.870 0.015 0.000 1.260 554 L CA -0.330 54.524 54.840 0.024 0.000 0.889 554 L CB -1.957 40.114 42.059 0.020 0.000 1.821 554 L HN -0.121 nan 8.230 nan 0.000 0.884 555 V N 0.470 120.392 119.914 0.014 0.000 2.415 555 V HA 0.168 4.285 4.120 -0.004 0.000 0.267 555 V C -1.258 174.840 176.094 0.007 0.000 1.042 555 V CA -1.127 61.178 62.300 0.008 0.000 1.000 555 V CB 0.284 32.110 31.823 0.005 0.000 1.015 555 V HN 0.122 nan 8.190 nan 0.000 0.478 556 P HA -0.071 nan 4.420 nan 0.000 0.259 556 P C 0.807 178.109 177.300 0.003 0.000 1.155 556 P CA 0.129 63.231 63.100 0.004 0.000 0.759 556 P CB 0.425 32.126 31.700 0.002 0.000 0.753 557 R N 4.174 124.676 120.500 0.003 0.000 2.091 557 R HA -0.162 4.176 4.340 -0.004 0.000 0.238 557 R C 1.867 178.167 176.300 -0.000 0.000 1.136 557 R CA 2.438 58.539 56.100 0.002 0.000 0.959 557 R CB -1.331 28.971 30.300 0.003 0.000 0.856 557 R HN 0.515 nan 8.270 nan 0.000 0.437 558 S N -0.736 114.964 115.700 -0.000 0.000 2.469 558 S HA -0.103 4.364 4.470 -0.004 0.000 0.238 558 S C 1.681 176.280 174.600 -0.002 0.000 0.998 558 S CA 1.292 59.492 58.200 -0.001 0.000 0.957 558 S CB -0.221 62.978 63.200 -0.001 0.000 0.764 558 S HN 0.400 nan 8.310 nan 0.000 0.514 559 M N 2.107 121.706 119.600 -0.001 0.000 2.419 559 M HA 0.178 4.655 4.480 -0.004 0.000 0.252 559 M C 0.179 176.477 176.300 -0.003 0.000 1.143 559 M CA 0.018 55.317 55.300 -0.002 0.000 0.985 559 M CB 0.468 33.067 32.600 -0.001 0.000 1.489 559 M HN 0.488 nan 8.290 nan 0.000 0.484 560 T N -2.317 112.235 114.554 -0.004 0.000 2.901 560 T HA 0.586 4.933 4.350 -0.004 0.000 0.293 560 T C -0.068 174.628 174.700 -0.007 0.000 1.084 560 T CA -0.846 61.251 62.100 -0.005 0.000 1.008 560 T CB 1.948 70.813 68.868 -0.005 0.000 1.170 560 T HN 0.107 nan 8.240 nan 0.000 0.509 561 S N 0.339 116.033 115.700 -0.010 0.000 2.130 561 S HA 0.484 4.951 4.470 -0.004 0.000 0.165 561 S C -0.207 174.383 174.600 -0.016 0.000 1.677 561 S CA -0.760 57.433 58.200 -0.012 0.000 1.227 561 S CB 0.631 63.825 63.200 -0.012 0.000 1.115 561 S HN 0.681 nan 8.310 nan 0.000 0.452 562 E N 2.682 122.871 120.200 -0.017 0.000 3.381 562 E HA 0.634 4.981 4.350 -0.004 0.000 0.509 562 E C 1.650 178.232 176.600 -0.030 0.000 0.319 562 E CA 0.795 57.181 56.400 -0.024 0.000 3.013 562 E CB -0.673 29.013 29.700 -0.023 0.000 2.197 562 E HN 1.070 nan 8.360 nan 0.000 0.410 563 A N -0.738 122.059 122.820 -0.038 0.000 3.408 563 A HA -0.201 4.116 4.320 -0.004 0.000 0.269 563 A C 1.243 178.794 177.584 -0.055 0.000 1.124 563 A CA 1.309 53.319 52.037 -0.046 0.000 0.999 563 A CB -2.494 16.486 19.000 -0.034 0.000 1.067 563 A HN 0.470 nan 8.150 nan 0.000 0.815 564 G N -1.125 107.643 108.800 -0.053 0.000 2.593 564 G HA2 0.361 4.318 3.960 -0.004 0.000 0.279 564 G HA3 0.361 4.318 3.960 -0.004 0.000 0.279 564 G C 0.012 174.864 174.900 -0.080 0.000 1.329 564 G CA 0.462 45.531 45.100 -0.052 0.000 1.036 564 G HN 0.854 nan 8.290 nan 0.000 0.555 565 E N -1.833 118.328 120.200 -0.065 0.000 2.281 565 E HA 0.316 4.663 4.350 -0.004 0.000 0.262 565 E C -0.861 175.722 176.600 -0.029 0.000 0.933 565 E CA -0.814 55.536 56.400 -0.083 0.000 0.809 565 E CB 1.333 31.012 29.700 -0.035 0.000 1.242 565 E HN 0.445 nan 8.360 nan 0.000 0.418 566 Y N 1.230 121.524 120.300 -0.011 0.000 2.805 566 Y HA -0.034 4.513 4.550 -0.005 0.000 0.337 566 Y C 0.436 176.295 175.900 -0.068 0.000 1.252 566 Y CA 0.590 58.672 58.100 -0.029 0.000 1.515 566 Y CB 0.529 39.016 38.460 0.046 0.000 1.305 566 Y HN 0.358 nan 8.280 nan 0.000 0.600 567 D N 3.888 124.326 120.400 0.064 0.000 2.419 567 D HA 0.121 4.758 4.640 -0.004 0.000 0.219 567 D C -0.501 175.678 176.300 -0.201 0.000 1.349 567 D CA -0.301 53.659 54.000 -0.067 0.000 0.964 567 D CB 0.690 41.472 40.800 -0.031 0.000 1.463 567 D HN 0.511 nan 8.370 nan 0.000 0.573 568 L N 2.022 122.974 121.223 -0.451 0.000 2.592 568 L HA 0.220 4.557 4.340 -0.004 0.000 0.227 568 L C 0.461 177.138 176.870 -0.323 0.000 1.127 568 L CA -0.065 54.413 54.840 -0.604 0.000 0.884 568 L CB -0.456 40.870 42.059 -1.222 0.000 1.065 568 L HN 0.105 nan 8.230 nan 0.000 0.457 569 N N 0.729 119.361 118.700 -0.114 0.000 2.518 569 N HA 0.002 4.740 4.740 -0.004 0.000 0.266 569 N C -0.046 175.453 175.510 -0.019 0.000 1.196 569 N CA -0.052 53.052 53.050 0.091 0.000 0.947 569 N CB 0.266 38.817 38.487 0.106 0.000 1.098 569 N HN 0.029 nan 8.380 nan 0.000 0.450 570 D N 1.090 121.480 120.400 -0.017 0.000 2.692 570 D HA -0.219 4.418 4.640 -0.004 0.000 0.233 570 D C 0.971 177.037 176.300 -0.391 0.000 1.172 570 D CA 0.623 54.432 54.000 -0.319 0.000 0.636 570 D CB -0.606 40.032 40.800 -0.270 0.000 1.028 570 D HN 0.682 nan 8.370 nan 0.000 0.419 571 M N -1.949 117.526 119.600 -0.207 0.000 2.447 571 M HA -0.102 4.376 4.480 -0.004 0.000 0.264 571 M C 2.073 178.295 176.300 -0.130 0.000 1.095 571 M CA 0.647 55.857 55.300 -0.150 0.000 1.125 571 M CB -0.453 32.090 32.600 -0.094 0.000 1.389 571 M HN 0.132 nan 8.290 nan 0.000 0.459 572 Y N 0.695 120.973 120.300 -0.037 0.000 2.569 572 Y HA 0.132 4.680 4.550 -0.005 0.000 0.293 572 Y C 1.579 177.470 175.900 -0.016 0.000 1.144 572 Y CA 0.706 58.783 58.100 -0.038 0.000 1.321 572 Y CB -1.041 37.390 38.460 -0.050 0.000 0.982 572 Y HN 0.227 nan 8.280 nan 0.000 0.558 573 K N 0.711 120.849 120.400 -0.437 0.000 2.305 573 K HA 0.094 4.412 4.320 -0.004 0.000 0.199 573 K C 1.609 178.145 176.600 -0.108 0.000 1.047 573 K CA 0.624 56.761 56.287 -0.251 0.000 0.976 573 K CB -0.009 32.283 32.500 -0.346 0.000 0.765 573 K HN 0.391 nan 8.250 nan 0.000 0.474 574 R N 1.398 121.836 120.500 -0.103 0.000 2.310 574 R HA 0.055 4.392 4.340 -0.004 0.000 0.202 574 R C 0.586 176.886 176.300 -0.000 0.000 0.933 574 R CA 0.015 56.085 56.100 -0.050 0.000 1.054 574 R CB 0.074 30.337 30.300 -0.063 0.000 0.985 574 R HN 0.075 nan 8.270 nan 0.000 0.489 575 S N 0.774 116.496 115.700 0.037 0.000 2.559 575 S HA 0.063 4.530 4.470 -0.004 0.000 0.282 575 S C 0.198 174.878 174.600 0.132 0.000 1.336 575 S CA -0.415 57.852 58.200 0.113 0.000 1.037 575 S CB 1.369 64.656 63.200 0.145 0.000 0.853 575 S HN 0.135 nan 8.310 nan 0.000 0.523 576 S N 2.280 118.085 115.700 0.175 0.000 2.543 576 S HA 0.623 5.090 4.470 -0.004 0.000 0.271 576 S C -3.147 171.488 174.600 0.057 0.000 1.148 576 S CA -1.324 56.946 58.200 0.117 0.000 0.914 576 S CB 1.767 64.975 63.200 0.013 0.000 1.096 576 S HN 0.711 nan 8.310 nan 0.000 0.471 577 P HA 0.422 nan 4.420 nan 0.000 0.276 577 P C -0.821 176.244 177.300 -0.391 0.000 1.244 577 P CA -0.599 62.126 63.100 -0.624 0.000 0.801 577 P CB 0.571 31.880 31.700 -0.651 0.000 1.006 578 I N -0.419 119.873 120.570 -0.463 0.000 2.354 578 I HA 0.375 4.543 4.170 -0.004 0.000 0.292 578 I C 0.205 176.103 176.117 -0.365 0.000 0.989 578 I CA -0.721 60.380 61.300 -0.332 0.000 1.188 578 I CB 0.433 38.246 38.000 -0.312 0.000 1.342 578 I HN 0.090 nan 8.210 nan 0.000 0.457 579 N N 5.922 124.474 118.700 -0.246 0.000 2.718 579 N HA 0.000 4.737 4.740 -0.004 0.000 0.315 579 N C -1.212 174.166 175.510 -0.220 0.000 1.191 579 N CA 0.390 53.341 53.050 -0.165 0.000 1.172 579 N CB -0.435 38.038 38.487 -0.025 0.000 1.441 579 N HN 0.532 nan 8.380 nan 0.000 0.519 580 V N 1.861 121.601 119.914 -0.289 0.000 2.588 580 V HA 0.142 4.259 4.120 -0.004 0.000 0.304 580 V C -0.391 175.650 176.094 -0.090 0.000 1.042 580 V CA -1.111 61.032 62.300 -0.262 0.000 0.877 580 V CB 2.026 33.550 31.823 -0.497 0.000 0.996 580 V HN 0.284 nan 8.190 nan 0.000 0.425 581 D N 6.041 126.448 120.400 0.012 0.000 2.506 581 D HA 0.159 4.796 4.640 -0.004 0.000 0.234 581 D C -2.130 174.270 176.300 0.167 0.000 1.143 581 D CA -0.498 53.547 54.000 0.074 0.000 0.871 581 D CB 0.667 41.521 40.800 0.089 0.000 1.190 581 D HN 0.315 nan 8.370 nan 0.000 0.459 582 P HA 0.294 nan 4.420 nan 0.000 0.272 582 P C 0.279 177.615 177.300 0.061 0.000 1.248 582 P CA -0.062 63.121 63.100 0.140 0.000 0.799 582 P CB 0.616 32.371 31.700 0.090 0.000 0.997 583 G N -0.733 107.971 108.800 -0.159 0.000 2.566 583 G HA2 0.267 4.225 3.960 -0.004 0.000 0.138 583 G HA3 0.267 4.225 3.960 -0.004 0.000 0.138 583 G C -1.751 172.878 174.900 -0.451 0.000 1.133 583 G CA -0.207 44.675 45.100 -0.364 0.000 1.037 583 G HN 0.489 nan 8.290 nan 0.000 0.491 584 D N 0.168 120.205 120.400 -0.604 0.000 2.405 584 D HA 0.464 5.101 4.640 -0.004 0.000 0.264 584 D C -1.307 174.865 176.300 -0.214 0.000 1.240 584 D CA -0.372 53.488 54.000 -0.233 0.000 0.893 584 D CB 0.031 40.850 40.800 0.033 0.000 1.198 584 D HN 0.319 nan 8.370 nan 0.000 0.514 585 Y N 1.449 121.849 120.300 0.167 0.000 2.308 585 Y HA 0.394 4.942 4.550 -0.004 0.000 0.329 585 Y C 1.727 177.797 175.900 0.283 0.000 1.111 585 Y CA -0.890 57.319 58.100 0.182 0.000 1.179 585 Y CB 1.363 39.864 38.460 0.068 0.000 1.201 585 Y HN 0.023 nan 8.280 nan 0.000 0.483 586 R N 1.844 122.621 120.500 0.461 0.000 2.373 586 R HA 0.277 4.614 4.340 -0.004 0.000 0.221 586 R C -0.482 175.976 176.300 0.263 0.000 0.893 586 R CA 0.129 56.453 56.100 0.374 0.000 1.049 586 R CB 0.703 31.107 30.300 0.173 0.000 1.119 586 R HN 0.799 nan 8.270 nan 0.000 0.535 587 M N 0.422 120.166 119.600 0.242 0.000 2.414 587 M HA 0.406 4.884 4.480 -0.004 0.000 0.287 587 M C -1.989 174.365 176.300 0.090 0.000 1.181 587 M CA -0.596 54.786 55.300 0.137 0.000 0.933 587 M CB 2.385 35.058 32.600 0.123 0.000 1.732 587 M HN -0.152 nan 8.290 nan 0.000 0.486 588 I N 6.057 126.633 120.570 0.011 0.000 2.447 588 I HA 0.513 4.680 4.170 -0.004 0.000 0.287 588 I C -1.841 174.238 176.117 -0.064 0.000 1.023 588 I CA -0.685 60.582 61.300 -0.055 0.000 1.083 588 I CB 1.576 39.516 38.000 -0.101 0.000 1.245 588 I HN 0.778 nan 8.210 nan 0.000 0.434 589 I N 9.935 130.456 120.570 -0.081 0.000 2.420 589 I HA 0.327 4.494 4.170 -0.004 0.000 0.282 589 I C -2.354 173.662 176.117 -0.168 0.000 1.019 589 I CA -1.758 59.492 61.300 -0.084 0.000 1.130 589 I CB 2.034 40.024 38.000 -0.016 0.000 1.262 589 I HN 0.329 nan 8.210 nan 0.000 0.454 590 P HA 0.312 nan 4.420 nan 0.000 0.281 590 P C -0.874 176.325 177.300 -0.167 0.000 1.252 590 P CA 0.009 62.860 63.100 -0.414 0.000 0.778 590 P CB 1.568 32.797 31.700 -0.785 0.000 0.895 591 L N 1.627 122.782 121.223 -0.112 0.000 2.211 591 L HA 0.365 4.703 4.340 -0.004 0.000 0.259 591 L C 2.226 179.090 176.870 -0.009 0.000 1.031 591 L CA -0.797 54.023 54.840 -0.034 0.000 0.877 591 L CB 0.668 42.718 42.059 -0.016 0.000 1.457 591 L HN 0.289 nan 8.230 nan 0.000 0.466 592 E N 0.333 120.540 120.200 0.011 0.000 2.021 592 E HA -0.210 4.137 4.350 -0.004 0.000 0.200 592 E C 0.876 177.488 176.600 0.020 0.000 1.015 592 E CA 2.223 58.636 56.400 0.022 0.000 0.824 592 E CB 0.140 29.852 29.700 0.021 0.000 0.762 592 E HN 0.619 nan 8.360 nan 0.000 0.454 593 S N -0.932 114.773 115.700 0.008 0.000 2.846 593 S HA 0.265 4.732 4.470 -0.004 0.000 0.249 593 S C -0.314 174.278 174.600 -0.014 0.000 1.028 593 S CA -0.195 58.005 58.200 0.001 0.000 1.043 593 S CB 0.849 64.043 63.200 -0.009 0.000 0.990 593 S HN 0.248 nan 8.310 nan 0.000 0.564 594 S N 0.828 116.526 115.700 -0.004 0.000 2.625 594 S HA 0.813 5.280 4.470 -0.004 0.000 0.271 594 S C -1.504 173.104 174.600 0.014 0.000 1.161 594 S CA -0.939 57.263 58.200 0.002 0.000 0.820 594 S CB 1.097 64.288 63.200 -0.014 0.000 1.137 594 S HN 0.109 nan 8.310 nan 0.000 0.470 595 I N 1.364 121.971 120.570 0.061 0.000 2.545 595 I HA 0.451 4.618 4.170 -0.004 0.000 0.292 595 I C -0.790 175.326 176.117 -0.002 0.000 1.040 595 I CA -0.854 60.438 61.300 -0.014 0.000 1.068 595 I CB 1.539 39.520 38.000 -0.032 0.000 1.251 595 I HN 0.701 nan 8.210 nan 0.000 0.424 596 L N 6.256 127.460 121.223 -0.032 0.000 2.307 596 L HA 0.592 4.930 4.340 -0.004 0.000 0.282 596 L C -0.422 176.436 176.870 -0.020 0.000 1.051 596 L CA -0.488 54.352 54.840 0.001 0.000 0.804 596 L CB 1.626 43.704 42.059 0.031 0.000 1.197 596 L HN 0.402 nan 8.230 nan 0.000 0.431 597 I N 2.713 123.274 120.570 -0.014 0.000 2.569 597 I HA 0.215 4.383 4.170 -0.004 0.000 0.290 597 I C -1.164 175.008 176.117 0.093 0.000 1.088 597 I CA -0.673 60.610 61.300 -0.027 0.000 1.047 597 I CB 2.382 40.234 38.000 -0.246 0.000 1.237 597 I HN 0.443 nan 8.210 nan 0.000 0.421 598 Y N 5.785 126.143 120.300 0.095 0.000 2.383 598 Y HA 0.385 4.933 4.550 -0.004 0.000 0.344 598 Y C 0.349 176.402 175.900 0.254 0.000 0.986 598 Y CA 0.197 58.389 58.100 0.153 0.000 1.175 598 Y CB 1.136 39.681 38.460 0.143 0.000 1.152 598 Y HN 0.584 nan 8.280 nan 0.000 0.511 599 S N 4.845 120.626 115.700 0.136 0.000 2.537 599 S HA 0.765 5.232 4.470 -0.004 0.000 0.301 599 S C -1.606 173.078 174.600 0.140 0.000 1.092 599 S CA -0.597 57.763 58.200 0.267 0.000 1.048 599 S CB 1.242 64.606 63.200 0.273 0.000 1.053 599 S HN 0.456 nan 8.310 nan 0.000 0.501 600 V N 5.452 125.473 119.914 0.179 0.000 2.409 600 V HA 0.435 4.553 4.120 -0.004 0.000 0.290 600 V C -2.430 173.744 176.094 0.134 0.000 1.017 600 V CA -1.770 60.633 62.300 0.171 0.000 0.841 600 V CB 1.255 33.226 31.823 0.246 0.000 1.003 600 V HN 0.774 nan 8.190 nan 0.000 0.426 601 P HA 0.135 nan 4.420 nan 0.000 0.268 601 P C -0.181 177.241 177.300 0.204 0.000 1.205 601 P CA -0.062 63.106 63.100 0.113 0.000 0.771 601 P CB 0.554 32.301 31.700 0.079 0.000 0.858 602 V N 5.002 125.002 119.914 0.144 0.000 2.599 602 V HA 0.089 4.207 4.120 -0.004 0.000 0.300 602 V C 0.780 176.968 176.094 0.155 0.000 1.034 602 V CA 0.772 63.142 62.300 0.116 0.000 1.115 602 V CB -0.849 30.998 31.823 0.040 0.000 0.934 602 V HN 0.764 nan 8.190 nan 0.000 0.485 603 H N 2.327 121.422 119.070 0.042 0.000 2.966 603 H HA 0.625 5.178 4.556 -0.005 0.000 0.330 603 H C -0.051 175.307 175.328 0.050 0.000 1.292 603 H CA -0.527 55.548 56.048 0.045 0.000 1.127 603 H CB 1.630 31.425 29.762 0.055 0.000 1.863 603 H HN 0.675 nan 8.280 nan 0.000 0.543 604 G N -0.415 108.433 108.800 0.081 0.000 2.572 604 G HA2 0.215 4.172 3.960 -0.004 0.000 0.261 604 G HA3 0.215 4.172 3.960 -0.004 0.000 0.261 604 G C 0.242 175.216 174.900 0.123 0.000 1.197 604 G CA -0.373 44.758 45.100 0.053 0.000 0.870 604 G HN 0.645 nan 8.290 nan 0.000 0.548 605 E N 0.540 120.804 120.200 0.107 0.000 2.498 605 E HA 0.046 4.394 4.350 -0.004 0.000 0.203 605 E C 1.466 178.192 176.600 0.211 0.000 1.013 605 E CA -0.423 56.063 56.400 0.143 0.000 0.927 605 E CB 0.239 29.964 29.700 0.041 0.000 1.012 605 E HN 0.510 nan 8.360 nan 0.000 0.482 606 F N 2.394 122.414 119.950 0.118 0.000 2.065 606 F HA -0.267 4.260 4.527 0.000 0.000 0.298 606 F C 2.229 178.186 175.800 0.261 0.000 1.112 606 F CA 2.053 60.177 58.000 0.206 0.000 1.212 606 F CB -0.182 38.916 39.000 0.165 0.000 0.975 606 F HN 0.030 nan 8.300 nan 0.000 0.476 607 A N -0.042 123.089 122.820 0.518 0.000 1.972 607 A HA -0.021 4.296 4.320 -0.004 0.000 0.219 607 A C 2.328 180.024 177.584 0.187 0.000 1.169 607 A CA 1.655 53.907 52.037 0.357 0.000 0.635 607 A CB -1.483 17.674 19.000 0.263 0.000 0.810 607 A HN 0.514 nan 8.150 nan 0.000 0.446 608 A N -1.833 121.089 122.820 0.169 0.000 1.929 608 A HA -0.042 4.275 4.320 -0.004 0.000 0.216 608 A C 2.110 179.713 177.584 0.030 0.000 1.176 608 A CA 1.484 53.585 52.037 0.107 0.000 0.628 608 A CB -0.678 18.413 19.000 0.151 0.000 0.816 608 A HN 0.652 nan 8.150 nan 0.000 0.444 609 Y N -1.284 118.904 120.300 -0.185 0.000 2.314 609 Y HA -0.112 4.436 4.550 -0.004 0.000 0.293 609 Y C 1.767 177.318 175.900 -0.582 0.000 1.129 609 Y CA 1.594 59.440 58.100 -0.424 0.000 1.201 609 Y CB -0.111 37.957 38.460 -0.653 0.000 0.999 609 Y HN 0.416 nan 8.280 nan 0.000 0.541 610 Y N -1.243 118.956 120.300 -0.170 0.000 2.488 610 Y HA 0.007 4.554 4.550 -0.005 0.000 0.262 610 Y C 2.333 178.152 175.900 -0.136 0.000 1.108 610 Y CA 0.405 58.362 58.100 -0.238 0.000 1.299 610 Y CB -0.631 37.630 38.460 -0.331 0.000 1.231 610 Y HN -0.215 nan 8.280 nan 0.000 0.507 611 Q N 0.431 120.305 119.800 0.124 0.000 2.439 611 Q HA 0.011 4.348 4.340 -0.004 0.000 0.211 611 Q C 1.454 177.478 176.000 0.040 0.000 0.978 611 Q CA 1.046 56.899 55.803 0.084 0.000 0.897 611 Q CB -0.256 28.555 28.738 0.123 0.000 0.956 611 Q HN 0.756 nan 8.270 nan 0.000 0.483 612 G N 0.618 109.427 108.800 0.016 0.000 2.155 612 G HA2 -0.338 3.619 3.960 -0.004 0.000 0.257 612 G HA3 -0.338 3.619 3.960 -0.004 0.000 0.257 612 G C 0.274 175.192 174.900 0.030 0.000 0.983 612 G CA -0.022 45.080 45.100 0.003 0.000 0.676 612 G HN 0.646 nan 8.290 nan 0.000 0.528 613 A N 1.090 123.942 122.820 0.054 0.000 2.565 613 A HA 0.506 4.823 4.320 -0.004 0.000 0.237 613 A C -0.413 177.200 177.584 0.048 0.000 1.053 613 A CA 0.327 52.398 52.037 0.056 0.000 0.755 613 A CB 0.148 19.194 19.000 0.076 0.000 0.980 613 A HN 0.474 nan 8.150 nan 0.000 0.506 614 P HA 0.161 nan 4.420 nan 0.000 0.274 614 P C -0.439 176.866 177.300 0.009 0.000 1.231 614 P CA -0.339 62.783 63.100 0.037 0.000 0.790 614 P CB 0.711 32.438 31.700 0.045 0.000 0.951 615 E N 1.353 121.557 120.200 0.007 0.000 2.290 615 E HA 0.092 4.439 4.350 -0.004 0.000 0.277 615 E C -0.232 176.355 176.600 -0.022 0.000 1.035 615 E CA -0.349 56.010 56.400 -0.070 0.000 0.873 615 E CB 0.457 30.157 29.700 -0.000 0.000 1.029 615 E HN 0.231 nan 8.360 nan 0.000 0.419 616 K N 2.347 122.687 120.400 -0.100 0.000 2.276 616 K HA 0.316 4.633 4.320 -0.004 0.000 0.285 616 K C -0.020 176.597 176.600 0.030 0.000 1.062 616 K CA -0.349 55.928 56.287 -0.018 0.000 0.918 616 K CB 1.515 33.987 32.500 -0.046 0.000 1.055 616 K HN 0.545 nan 8.250 nan 0.000 0.477 617 G N 0.900 109.751 108.800 0.084 0.000 3.108 617 G HA2 0.677 4.635 3.960 -0.004 0.000 0.268 617 G HA3 0.677 4.635 3.960 -0.004 0.000 0.268 617 G C -1.447 173.304 174.900 -0.248 0.000 1.361 617 G CA -0.512 44.569 45.100 -0.032 0.000 1.047 617 G HN 0.428 nan 8.290 nan 0.000 0.540 618 V N -0.852 118.770 119.914 -0.486 0.000 3.077 618 V HA 0.628 4.745 4.120 -0.004 0.000 0.299 618 V C -1.777 174.071 176.094 -0.409 0.000 1.276 618 V CA -0.872 61.230 62.300 -0.331 0.000 0.993 618 V CB 2.033 33.767 31.823 -0.147 0.000 1.076 618 V HN 0.803 nan 8.190 nan 0.000 0.434 619 L N 6.384 127.469 121.223 -0.230 0.000 2.261 619 L HA 0.597 4.934 4.340 -0.004 0.000 0.289 619 L C -0.619 176.226 176.870 -0.041 0.000 1.059 619 L CA 0.332 55.108 54.840 -0.106 0.000 0.816 619 L CB 0.478 42.557 42.059 0.034 0.000 1.191 619 L HN 0.663 nan 8.230 nan 0.000 0.431 620 L N 4.733 125.944 121.223 -0.021 0.000 2.360 620 L HA 0.538 4.875 4.340 -0.004 0.000 0.271 620 L C -0.096 176.783 176.870 0.015 0.000 1.057 620 L CA -0.706 54.134 54.840 0.001 0.000 0.803 620 L CB 1.483 43.550 42.059 0.013 0.000 1.207 620 L HN 0.554 nan 8.230 nan 0.000 0.445 621 K N 1.959 122.374 120.400 0.024 0.000 2.376 621 K HA 0.322 4.639 4.320 -0.004 0.000 0.257 621 K C -1.782 174.858 176.600 0.066 0.000 0.939 621 K CA -0.581 55.727 56.287 0.035 0.000 0.809 621 K CB 1.529 34.038 32.500 0.016 0.000 1.121 621 K HN 0.467 nan 8.250 nan 0.000 0.425 622 Y N 3.822 124.083 120.300 -0.065 0.000 2.334 622 Y HA 0.223 4.770 4.550 -0.005 0.000 0.336 622 Y C -0.779 175.090 175.900 -0.051 0.000 0.960 622 Y CA -0.769 57.291 58.100 -0.066 0.000 1.164 622 Y CB 1.179 39.582 38.460 -0.096 0.000 1.155 622 Y HN 0.628 nan 8.280 nan 0.000 0.478 623 D N 5.900 126.002 120.400 -0.495 0.000 2.325 623 D HA 0.040 4.677 4.640 -0.004 0.000 0.251 623 D C 1.330 177.252 176.300 -0.630 0.000 1.196 623 D CA 0.166 53.930 54.000 -0.393 0.000 0.866 623 D CB 1.684 42.325 40.800 -0.265 0.000 1.101 623 D HN 0.677 nan 8.370 nan 0.000 0.476 624 V N 3.331 123.058 119.914 -0.312 0.000 2.407 624 V HA -0.176 3.942 4.120 -0.004 0.000 0.248 624 V C 2.080 178.081 176.094 -0.154 0.000 1.055 624 V CA 0.972 63.176 62.300 -0.160 0.000 1.049 624 V CB -0.417 31.424 31.823 0.029 0.000 0.662 624 V HN 0.342 nan 8.190 nan 0.000 0.455 625 K N 1.338 121.656 120.400 -0.137 0.000 1.973 625 K HA -0.092 4.226 4.320 -0.004 0.000 0.210 625 K C 2.560 179.090 176.600 -0.118 0.000 1.045 625 K CA 2.387 58.617 56.287 -0.095 0.000 0.937 625 K CB -1.092 31.366 32.500 -0.070 0.000 0.721 625 K HN 0.765 nan 8.250 nan 0.000 0.438 626 T N -1.132 113.331 114.554 -0.153 0.000 3.035 626 T HA -0.024 4.324 4.350 -0.004 0.000 0.268 626 T C 0.742 175.336 174.700 -0.176 0.000 1.109 626 T CA 0.370 62.388 62.100 -0.137 0.000 1.119 626 T CB -0.041 68.754 68.868 -0.122 0.000 0.900 626 T HN 0.277 nan 8.240 nan 0.000 0.503 627 R N 0.151 120.451 120.500 -0.334 0.000 4.000 627 R HA -0.141 4.196 4.340 -0.004 0.000 0.362 627 R C 0.160 176.302 176.300 -0.263 0.000 1.183 627 R CA 1.107 56.963 56.100 -0.406 0.000 1.011 627 R CB -2.010 28.251 30.300 -0.065 0.000 1.501 627 R HN 0.614 nan 8.270 nan 0.000 0.553 628 K N 1.462 121.712 120.400 -0.251 0.000 2.144 628 K HA 0.411 4.729 4.320 -0.004 0.000 0.270 628 K C -0.242 176.302 176.600 -0.094 0.000 1.005 628 K CA -0.346 55.872 56.287 -0.115 0.000 0.932 628 K CB 1.251 33.697 32.500 -0.091 0.000 1.021 628 K HN -0.074 nan 8.250 nan 0.000 0.462 629 V N 2.799 122.715 119.914 0.003 0.000 2.555 629 V HA 0.415 4.532 4.120 -0.004 0.000 0.302 629 V C -0.243 175.860 176.094 0.015 0.000 1.038 629 V CA -0.569 61.757 62.300 0.042 0.000 0.887 629 V CB 1.703 33.584 31.823 0.096 0.000 0.991 629 V HN 1.099 nan 8.190 nan 0.000 0.434 630 T N 0.428 114.988 114.554 0.010 0.000 2.841 630 T HA 0.602 4.949 4.350 -0.004 0.000 0.296 630 T C -0.905 173.792 174.700 -0.004 0.000 1.166 630 T CA -0.813 61.285 62.100 -0.003 0.000 1.007 630 T CB 2.179 71.038 68.868 -0.016 0.000 1.253 630 T HN 0.602 nan 8.240 nan 0.000 0.511 631 E N 0.363 120.553 120.200 -0.016 0.000 2.109 631 E HA 0.481 4.828 4.350 -0.004 0.000 0.278 631 E C 0.219 176.793 176.600 -0.043 0.000 0.954 631 E CA -0.668 55.715 56.400 -0.029 0.000 0.779 631 E CB 1.181 30.860 29.700 -0.035 0.000 1.093 631 E HN 0.482 nan 8.360 nan 0.000 0.401 632 V N 4.010 123.899 119.914 -0.041 0.000 2.725 632 V HA 0.074 4.192 4.120 -0.004 0.000 0.247 632 V C 0.371 176.392 176.094 -0.122 0.000 1.058 632 V CA 0.848 63.115 62.300 -0.054 0.000 1.080 632 V CB -0.025 31.802 31.823 0.006 0.000 0.713 632 V HN 0.531 nan 8.190 nan 0.000 0.465 633 K N 0.591 120.924 120.400 -0.112 0.000 2.589 633 K HA 0.380 4.697 4.320 -0.004 0.000 0.265 633 K C -1.268 175.258 176.600 -0.122 0.000 0.935 633 K CA -0.397 55.792 56.287 -0.164 0.000 0.850 633 K CB 1.472 33.853 32.500 -0.199 0.000 1.372 633 K HN 0.280 nan 8.250 nan 0.000 0.420 634 N N 0.867 119.490 118.700 -0.127 0.000 3.091 634 N HA 0.474 5.211 4.740 -0.004 0.000 0.329 634 N C -1.039 174.415 175.510 -0.092 0.000 1.430 634 N CA -0.624 52.364 53.050 -0.103 0.000 0.755 634 N CB 0.281 38.718 38.487 -0.084 0.000 1.626 634 N HN 0.661 nan 8.380 nan 0.000 0.614 635 N N -1.879 116.781 118.700 -0.066 0.000 2.735 635 N HA -0.156 4.581 4.740 -0.004 0.000 0.248 635 N C -1.318 174.185 175.510 -0.013 0.000 1.083 635 N CA 0.309 53.334 53.050 -0.043 0.000 0.703 635 N CB -1.293 37.157 38.487 -0.062 0.000 1.005 635 N HN 0.394 nan 8.380 nan 0.000 0.550 636 L N -0.166 121.065 121.223 0.013 0.000 2.343 636 L HA 0.453 4.790 4.340 -0.004 0.000 0.275 636 L C 1.619 178.603 176.870 0.190 0.000 1.056 636 L CA -0.132 54.774 54.840 0.110 0.000 0.804 636 L CB 1.433 43.578 42.059 0.143 0.000 1.203 636 L HN 0.281 nan 8.230 nan 0.000 0.440 637 T N -3.828 110.854 114.554 0.212 0.000 3.058 637 T HA 0.245 4.592 4.350 -0.004 0.000 0.278 637 T C -0.204 174.622 174.700 0.210 0.000 0.974 637 T CA -0.256 61.960 62.100 0.193 0.000 0.893 637 T CB 0.318 69.254 68.868 0.114 0.000 1.138 637 T HN 0.560 nan 8.240 nan 0.000 0.529 638 D N -0.308 120.252 120.400 0.267 0.000 2.766 638 D HA 0.479 5.117 4.640 -0.004 0.000 0.244 638 D C -2.083 174.410 176.300 0.322 0.000 1.198 638 D CA -0.530 53.616 54.000 0.243 0.000 0.739 638 D CB 1.672 42.680 40.800 0.347 0.000 1.379 638 D HN 0.299 nan 8.370 nan 0.000 0.437 639 L N 1.551 122.915 121.223 0.235 0.000 2.466 639 L HA 0.773 5.110 4.340 -0.004 0.000 0.258 639 L C -1.569 175.394 176.870 0.155 0.000 0.973 639 L CA -0.544 54.454 54.840 0.262 0.000 0.826 639 L CB 1.665 43.921 42.059 0.330 0.000 1.372 639 L HN 0.354 nan 8.230 nan 0.000 0.409 640 R N 3.434 124.025 120.500 0.153 0.000 2.651 640 R HA 0.613 4.950 4.340 -0.004 0.000 0.278 640 R C -1.818 174.509 176.300 0.044 0.000 1.010 640 R CA -0.782 55.354 56.100 0.059 0.000 0.896 640 R CB 2.220 32.530 30.300 0.016 0.000 1.211 640 R HN 0.534 nan 8.270 nan 0.000 0.456 641 L N 1.096 122.333 121.223 0.023 0.000 2.346 641 L HA 0.462 4.799 4.340 -0.004 0.000 0.274 641 L C 0.449 177.330 176.870 0.018 0.000 1.007 641 L CA -0.124 54.724 54.840 0.012 0.000 0.818 641 L CB 1.898 43.969 42.059 0.020 0.000 1.284 641 L HN 0.855 nan 8.230 nan 0.000 0.424 642 S N 2.881 118.590 115.700 0.015 0.000 2.617 642 S HA 0.401 4.869 4.470 -0.004 0.000 0.255 642 S C 1.205 175.827 174.600 0.036 0.000 1.318 642 S CA 0.080 58.298 58.200 0.029 0.000 0.978 642 S CB 0.565 63.782 63.200 0.027 0.000 0.961 642 S HN 0.886 nan 8.310 nan 0.000 0.582 643 A N 1.078 123.924 122.820 0.042 0.000 1.854 643 A HA -0.032 4.286 4.320 -0.004 0.000 0.214 643 A C 1.599 179.210 177.584 0.045 0.000 1.192 643 A CA 1.520 53.584 52.037 0.045 0.000 0.611 643 A CB -1.529 17.497 19.000 0.043 0.000 0.832 643 A HN 0.980 nan 8.150 nan 0.000 0.442 644 D N -1.520 118.904 120.400 0.040 0.000 2.358 644 D HA -0.026 4.611 4.640 -0.004 0.000 0.241 644 D C 0.778 177.100 176.300 0.036 0.000 1.094 644 D CA 0.247 54.271 54.000 0.039 0.000 0.907 644 D CB -0.558 40.263 40.800 0.036 0.000 0.893 644 D HN 0.449 nan 8.370 nan 0.000 0.528 645 R N -1.139 119.382 120.500 0.035 0.000 3.989 645 R HA -0.268 4.070 4.340 -0.004 0.000 0.335 645 R C 0.686 176.999 176.300 0.021 0.000 1.223 645 R CA 1.386 57.504 56.100 0.029 0.000 0.962 645 R CB -1.368 28.953 30.300 0.035 0.000 1.393 645 R HN 0.387 nan 8.270 nan 0.000 0.554 646 K N -0.487 119.925 120.400 0.019 0.000 2.308 646 K HA 0.071 4.388 4.320 -0.004 0.000 0.197 646 K C 0.425 177.024 176.600 -0.001 0.000 1.049 646 K CA 0.850 57.148 56.287 0.018 0.000 0.991 646 K CB 0.626 33.142 32.500 0.026 0.000 0.836 646 K HN 0.055 nan 8.250 nan 0.000 0.500 647 T N 1.720 116.265 114.554 -0.013 0.000 2.829 647 T HA 0.378 4.725 4.350 -0.004 0.000 0.282 647 T C -0.385 174.245 174.700 -0.116 0.000 0.990 647 T CA -0.615 61.456 62.100 -0.048 0.000 1.028 647 T CB 2.218 71.081 68.868 -0.009 0.000 0.951 647 T HN -0.258 nan 8.240 nan 0.000 0.460 648 V N 3.946 123.693 119.914 -0.278 0.000 2.495 648 V HA 0.563 4.680 4.120 -0.004 0.000 0.298 648 V C -0.301 175.570 176.094 -0.371 0.000 1.031 648 V CA -0.884 61.161 62.300 -0.425 0.000 0.871 648 V CB 1.758 33.034 31.823 -0.913 0.000 0.988 648 V HN 0.920 nan 8.190 nan 0.000 0.432 649 M N 6.459 125.994 119.600 -0.109 0.000 2.190 649 M HA 0.765 5.242 4.480 -0.004 0.000 0.312 649 M C -1.098 175.322 176.300 0.199 0.000 0.990 649 M CA -0.476 54.871 55.300 0.079 0.000 0.927 649 M CB 1.550 34.278 32.600 0.214 0.000 1.571 649 M HN 0.679 nan 8.290 nan 0.000 0.427 650 V N 1.965 122.009 119.914 0.217 0.000 3.158 650 V HA 0.826 4.943 4.120 -0.004 0.000 0.311 650 V C -1.392 174.782 176.094 0.134 0.000 1.181 650 V CA -1.018 61.442 62.300 0.266 0.000 1.054 650 V CB 2.117 34.137 31.823 0.328 0.000 1.085 650 V HN 0.986 nan 8.190 nan 0.000 0.446 651 R N 1.036 121.609 120.500 0.122 0.000 2.561 651 R HA 0.642 4.980 4.340 -0.004 0.000 0.297 651 R C -0.605 175.765 176.300 0.117 0.000 0.969 651 R CA -0.449 55.658 56.100 0.012 0.000 0.879 651 R CB 1.869 32.117 30.300 -0.087 0.000 1.178 651 R HN 0.918 nan 8.270 nan 0.000 0.445 652 K N 1.721 122.204 120.400 0.138 0.000 2.210 652 K HA 0.152 4.469 4.320 -0.004 0.000 0.236 652 K C 0.171 176.812 176.600 0.068 0.000 1.016 652 K CA -0.597 55.738 56.287 0.081 0.000 0.913 652 K CB 0.929 33.433 32.500 0.007 0.000 1.141 652 K HN 0.780 nan 8.250 nan 0.000 0.462 653 D N 0.482 120.905 120.400 0.039 0.000 2.263 653 D HA -0.193 4.444 4.640 -0.004 0.000 0.208 653 D C 0.833 177.152 176.300 0.031 0.000 0.971 653 D CA 1.266 55.284 54.000 0.031 0.000 0.867 653 D CB -0.312 40.497 40.800 0.015 0.000 0.929 653 D HN 0.593 nan 8.370 nan 0.000 0.492 654 D N -0.780 119.647 120.400 0.045 0.000 2.378 654 D HA 0.090 4.727 4.640 -0.004 0.000 0.227 654 D C 1.794 178.111 176.300 0.028 0.000 1.012 654 D CA 0.902 54.927 54.000 0.042 0.000 0.905 654 D CB -0.406 40.435 40.800 0.068 0.000 0.895 654 D HN 0.389 nan 8.370 nan 0.000 0.532 655 G N -0.313 108.504 108.800 0.029 0.000 2.199 655 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.254 655 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.254 655 G C 0.251 175.120 174.900 -0.052 0.000 0.982 655 G CA 0.221 45.313 45.100 -0.013 0.000 0.632 655 G HN 0.484 nan 8.290 nan 0.000 0.529 656 K N -0.118 120.278 120.400 -0.007 0.000 2.118 656 K HA 0.622 4.939 4.320 -0.004 0.000 0.264 656 K C 0.021 176.514 176.600 -0.178 0.000 1.000 656 K CA -0.601 55.598 56.287 -0.147 0.000 0.929 656 K CB 1.121 33.478 32.500 -0.238 0.000 1.021 656 K HN 0.168 nan 8.250 nan 0.000 0.463 657 I N 2.343 122.679 120.570 -0.390 0.000 2.385 657 I HA 0.224 4.391 4.170 -0.004 0.000 0.294 657 I C -0.710 175.198 176.117 -0.349 0.000 0.988 657 I CA -0.312 60.784 61.300 -0.340 0.000 1.265 657 I CB 0.484 38.210 38.000 -0.457 0.000 1.388 657 I HN 0.380 nan 8.210 nan 0.000 0.480 658 Y N 2.367 122.635 120.300 -0.053 0.000 2.602 658 Y HA 0.699 5.246 4.550 -0.004 0.000 0.342 658 Y C 0.189 176.147 175.900 0.096 0.000 1.029 658 Y CA -1.087 57.045 58.100 0.053 0.000 1.080 658 Y CB 2.213 40.746 38.460 0.122 0.000 1.284 658 Y HN 0.402 nan 8.280 nan 0.000 0.485 659 T N 2.910 117.649 114.554 0.309 0.000 3.011 659 T HA 0.694 5.041 4.350 -0.004 0.000 0.303 659 T C -1.818 173.025 174.700 0.238 0.000 0.997 659 T CA -0.551 61.644 62.100 0.159 0.000 1.007 659 T CB -0.072 68.850 68.868 0.089 0.000 1.017 659 T HN 0.474 nan 8.240 nan 0.000 0.443 660 F N 2.740 122.750 119.950 0.100 0.000 2.601 660 F HA 0.840 5.364 4.527 -0.004 0.000 0.309 660 F C -3.240 172.599 175.800 0.065 0.000 1.089 660 F CA -3.039 55.006 58.000 0.074 0.000 0.940 660 F CB 0.581 39.616 39.000 0.057 0.000 1.273 660 F HN 0.229 nan 8.300 nan 0.000 0.450 661 P HA 0.089 nan 4.420 nan 0.000 0.271 661 P C 0.687 178.084 177.300 0.162 0.000 1.216 661 P CA -0.281 62.879 63.100 0.101 0.000 0.771 661 P CB 1.026 32.789 31.700 0.104 0.000 0.864 662 L N 4.935 126.203 121.223 0.076 0.000 2.127 662 L HA -0.204 4.133 4.340 -0.004 0.000 0.211 662 L C 1.912 178.856 176.870 0.124 0.000 1.089 662 L CA 1.909 56.816 54.840 0.112 0.000 0.757 662 L CB -1.205 40.884 42.059 0.050 0.000 0.899 662 L HN 0.470 nan 8.230 nan 0.000 0.434 663 E N -0.924 119.331 120.200 0.092 0.000 2.047 663 E HA -0.151 4.196 4.350 -0.004 0.000 0.191 663 E C 0.202 176.849 176.600 0.078 0.000 0.987 663 E CA 0.938 57.381 56.400 0.072 0.000 0.799 663 E CB -0.234 29.498 29.700 0.054 0.000 0.752 663 E HN 0.205 nan 8.360 nan 0.000 0.449 664 K N 1.445 121.905 120.400 0.101 0.000 2.682 664 K HA 0.203 4.520 4.320 -0.004 0.000 0.189 664 K C -2.140 174.535 176.600 0.124 0.000 1.062 664 K CA -2.087 54.251 56.287 0.086 0.000 0.997 664 K CB 1.551 34.090 32.500 0.065 0.000 1.405 664 K HN 0.094 nan 8.250 nan 0.000 0.588 665 P HA -0.169 nan 4.420 nan 0.000 0.236 665 P C 0.867 178.076 177.300 -0.153 0.000 1.172 665 P CA 0.881 64.009 63.100 0.045 0.000 0.759 665 P CB 0.451 32.111 31.700 -0.066 0.000 0.843 666 E N 0.647 120.816 120.200 -0.053 0.000 2.216 666 E HA -0.086 4.262 4.350 -0.004 0.000 0.192 666 E C 0.055 176.640 176.600 -0.026 0.000 0.988 666 E CA 0.457 56.817 56.400 -0.066 0.000 0.834 666 E CB -0.097 29.583 29.700 -0.033 0.000 0.772 666 E HN 0.154 nan 8.360 nan 0.000 0.479 667 D N 2.656 123.077 120.400 0.036 0.000 2.767 667 D HA 0.038 4.675 4.640 -0.004 0.000 0.241 667 D C -0.579 175.804 176.300 0.138 0.000 1.187 667 D CA 0.022 54.066 54.000 0.073 0.000 0.999 667 D CB 0.185 41.031 40.800 0.077 0.000 1.042 667 D HN 0.405 nan 8.370 nan 0.000 0.510 668 E N 0.100 120.377 120.200 0.128 0.000 2.277 668 E HA 0.626 4.973 4.350 -0.004 0.000 0.274 668 E C -0.315 176.411 176.600 0.209 0.000 1.022 668 E CA -0.817 55.726 56.400 0.238 0.000 0.853 668 E CB 1.618 31.444 29.700 0.209 0.000 1.086 668 E HN -0.035 nan 8.360 nan 0.000 0.397 669 R N 0.693 121.333 120.500 0.233 0.000 2.854 669 R HA 0.415 4.752 4.340 -0.004 0.000 0.271 669 R C -0.870 175.510 176.300 0.133 0.000 0.996 669 R CA -0.762 55.432 56.100 0.157 0.000 0.961 669 R CB 2.183 32.542 30.300 0.099 0.000 1.182 669 R HN 0.511 nan 8.270 nan 0.000 0.479 670 T N 1.132 115.686 114.554 0.000 0.000 2.806 670 T HA 0.253 4.600 4.350 -0.004 0.000 0.290 670 T C -0.140 174.439 174.700 -0.202 0.000 0.966 670 T CA -0.619 61.326 62.100 -0.258 0.000 1.060 670 T CB 1.079 69.776 68.868 -0.285 0.000 0.927 670 T HN 0.128 nan 8.240 nan 0.000 0.485 671 V N 4.564 124.317 119.914 -0.267 0.000 2.432 671 V HA 0.220 4.337 4.120 -0.004 0.000 0.271 671 V C 0.362 176.333 176.094 -0.206 0.000 1.046 671 V CA -0.411 61.783 62.300 -0.178 0.000 0.945 671 V CB 0.605 32.327 31.823 -0.168 0.000 0.992 671 V HN 0.756 nan 8.190 nan 0.000 0.471 672 E N 3.169 123.284 120.200 -0.142 0.000 2.179 672 E HA 0.464 4.811 4.350 -0.004 0.000 0.275 672 E C 0.607 177.129 176.600 -0.131 0.000 0.945 672 E CA -0.108 56.206 56.400 -0.143 0.000 0.792 672 E CB 2.076 31.714 29.700 -0.104 0.000 1.125 672 E HN 0.832 nan 8.360 nan 0.000 0.397 673 T N -2.319 112.134 114.554 -0.168 0.000 3.041 673 T HA 0.095 4.443 4.350 -0.004 0.000 0.276 673 T C 0.237 174.867 174.700 -0.116 0.000 0.948 673 T CA -0.325 61.680 62.100 -0.157 0.000 0.885 673 T CB 0.133 68.770 68.868 -0.384 0.000 1.175 673 T HN 0.060 nan 8.240 nan 0.000 0.529 674 D N 1.559 121.891 120.400 -0.113 0.000 2.325 674 D HA 0.202 4.839 4.640 -0.004 0.000 0.234 674 D C 1.616 177.875 176.300 -0.068 0.000 1.122 674 D CA 0.010 53.960 54.000 -0.084 0.000 0.850 674 D CB 0.322 41.073 40.800 -0.081 0.000 0.921 674 D HN 0.246 nan 8.370 nan 0.000 0.513 675 K N 0.271 120.630 120.400 -0.069 0.000 2.044 675 K HA 0.025 4.342 4.320 -0.004 0.000 0.204 675 K C 1.116 177.683 176.600 -0.055 0.000 1.049 675 K CA 0.382 56.632 56.287 -0.061 0.000 0.945 675 K CB 0.365 32.825 32.500 -0.066 0.000 0.724 675 K HN 0.077 nan 8.250 nan 0.000 0.440 676 R N 1.928 122.392 120.500 -0.060 0.000 2.255 676 R HA 0.223 4.560 4.340 -0.004 0.000 0.326 676 R C -2.458 173.805 176.300 -0.061 0.000 0.986 676 R CA -1.895 54.173 56.100 -0.054 0.000 0.847 676 R CB 1.057 31.326 30.300 -0.052 0.000 1.111 676 R HN -0.104 nan 8.270 nan 0.000 0.452 677 P HA -0.006 nan 4.420 nan 0.000 0.270 677 P C -0.929 176.357 177.300 -0.024 0.000 1.223 677 P CA -0.439 62.647 63.100 -0.024 0.000 0.785 677 P CB 0.508 32.202 31.700 -0.011 0.000 0.923 678 L N 3.000 124.219 121.223 -0.007 0.000 2.276 678 L HA 0.270 4.607 4.340 -0.004 0.000 0.286 678 L C -0.728 176.150 176.870 0.013 0.000 1.061 678 L CA -0.097 54.750 54.840 0.012 0.000 0.807 678 L CB 0.910 42.989 42.059 0.033 0.000 1.177 678 L HN 0.061 nan 8.230 nan 0.000 0.429 679 V N 4.142 124.074 119.914 0.030 0.000 2.417 679 V HA 0.829 4.946 4.120 -0.004 0.000 0.291 679 V C -0.073 176.008 176.094 -0.021 0.000 1.024 679 V CA -0.318 61.983 62.300 0.001 0.000 0.861 679 V CB 1.402 33.229 31.823 0.008 0.000 0.985 679 V HN 0.915 nan 8.190 nan 0.000 0.436 680 S N 2.536 118.203 115.700 -0.055 0.000 2.656 680 S HA 0.719 5.186 4.470 -0.004 0.000 0.273 680 S C -0.681 173.855 174.600 -0.107 0.000 1.168 680 S CA -0.556 57.591 58.200 -0.088 0.000 0.817 680 S CB 2.001 65.132 63.200 -0.116 0.000 1.146 680 S HN 0.945 nan 8.310 nan 0.000 0.475 681 S N 0.398 116.011 115.700 -0.145 0.000 2.456 681 S HA 0.501 4.969 4.470 -0.004 0.000 0.316 681 S C 1.055 175.497 174.600 -0.264 0.000 1.089 681 S CA -0.987 57.112 58.200 -0.167 0.000 1.101 681 S CB -0.154 62.929 63.200 -0.195 0.000 0.995 681 S HN 0.658 nan 8.310 nan 0.000 0.468 682 I N 4.126 124.532 120.570 -0.273 0.000 2.091 682 I HA -0.261 3.907 4.170 -0.004 0.000 0.239 682 I C 2.727 178.488 176.117 -0.593 0.000 1.061 682 I CA 1.925 62.899 61.300 -0.543 0.000 1.317 682 I CB -0.676 36.984 38.000 -0.568 0.000 1.031 682 I HN 0.876 nan 8.210 nan 0.000 0.401 683 H N 1.903 120.769 119.070 -0.340 0.000 2.387 683 H HA -0.200 4.353 4.556 -0.004 0.000 0.299 683 H C 1.845 177.147 175.328 -0.044 0.000 1.090 683 H CA 1.855 57.811 56.048 -0.153 0.000 1.332 683 H CB -0.760 28.958 29.762 -0.073 0.000 1.386 683 H HN 0.643 nan 8.280 nan 0.000 0.516 684 E N 1.153 120.880 120.200 -0.789 0.000 2.107 684 E HA -0.137 4.210 4.350 -0.004 0.000 0.191 684 E C 1.956 178.460 176.600 -0.160 0.000 0.982 684 E CA 0.985 57.117 56.400 -0.447 0.000 0.809 684 E CB -0.160 29.273 29.700 -0.445 0.000 0.756 684 E HN 0.613 nan 8.360 nan 0.000 0.459 685 E N -0.054 120.055 120.200 -0.151 0.000 2.047 685 E HA -0.114 4.233 4.350 -0.004 0.000 0.191 685 E C 1.783 178.495 176.600 0.186 0.000 0.987 685 E CA 0.852 57.242 56.400 -0.017 0.000 0.799 685 E CB -0.143 29.520 29.700 -0.062 0.000 0.752 685 E HN 0.243 nan 8.360 nan 0.000 0.449 686 F N 1.064 120.994 119.950 -0.033 0.000 2.126 686 F HA -0.186 4.339 4.527 -0.005 0.000 0.299 686 F C 2.206 178.047 175.800 0.068 0.000 1.096 686 F CA 0.995 59.006 58.000 0.019 0.000 1.255 686 F CB -0.899 38.115 39.000 0.023 0.000 0.997 686 F HN 0.036 nan 8.300 nan 0.000 0.479 687 L N -0.642 120.728 121.223 0.245 0.000 2.046 687 L HA -0.217 4.121 4.340 -0.004 0.000 0.208 687 L C 2.671 179.663 176.870 0.203 0.000 1.077 687 L CA 1.276 56.231 54.840 0.192 0.000 0.747 687 L CB -0.649 41.483 42.059 0.122 0.000 0.896 687 L HN 0.161 nan 8.230 nan 0.000 0.432 688 Q N 0.403 120.287 119.800 0.140 0.000 2.020 688 Q HA -0.229 4.108 4.340 -0.004 0.000 0.202 688 Q C 2.219 178.295 176.000 0.126 0.000 0.982 688 Q CA 1.963 57.831 55.803 0.109 0.000 0.838 688 Q CB -0.184 28.583 28.738 0.049 0.000 0.899 688 Q HN 0.474 nan 8.270 nan 0.000 0.423 689 M N -0.696 118.985 119.600 0.136 0.000 2.117 689 M HA -0.204 4.273 4.480 -0.004 0.000 0.262 689 M C 2.080 178.454 176.300 0.123 0.000 1.065 689 M CA 1.733 57.099 55.300 0.111 0.000 1.114 689 M CB -0.552 32.108 32.600 0.099 0.000 1.361 689 M HN 0.229 nan 8.290 nan 0.000 0.408 690 Y N 1.523 121.868 120.300 0.075 0.000 2.089 690 Y HA -0.299 4.248 4.550 -0.004 0.000 0.282 690 Y C 1.930 177.945 175.900 0.190 0.000 1.139 690 Y CA 1.994 60.149 58.100 0.091 0.000 1.123 690 Y CB -0.486 38.000 38.460 0.043 0.000 0.980 690 Y HN 0.205 nan 8.280 nan 0.000 0.493 691 D N 0.221 120.704 120.400 0.138 0.000 2.158 691 D HA -0.222 4.415 4.640 -0.004 0.000 0.197 691 D C 2.071 178.477 176.300 0.178 0.000 0.995 691 D CA 1.811 55.914 54.000 0.172 0.000 0.846 691 D CB -0.323 40.627 40.800 0.249 0.000 0.941 691 D HN 0.647 nan 8.370 nan 0.000 0.456 692 E N 0.094 120.360 120.200 0.111 0.000 2.046 692 E HA -0.093 4.254 4.350 -0.004 0.000 0.190 692 E C 2.043 178.680 176.600 0.062 0.000 0.982 692 E CA 0.917 57.372 56.400 0.093 0.000 0.800 692 E CB -0.005 29.731 29.700 0.059 0.000 0.756 692 E HN 0.170 nan 8.360 nan 0.000 0.449 693 A N 0.634 123.465 122.820 0.019 0.000 1.908 693 A HA -0.221 4.096 4.320 -0.004 0.000 0.218 693 A C 1.928 179.508 177.584 -0.007 0.000 1.181 693 A CA 1.612 53.646 52.037 -0.005 0.000 0.627 693 A CB -1.249 17.740 19.000 -0.017 0.000 0.818 693 A HN 0.699 nan 8.150 nan 0.000 0.445 694 W N 0.638 121.786 121.300 -0.253 0.000 2.381 694 W HA -0.148 4.509 4.660 -0.004 0.000 0.301 694 W C 2.196 178.696 176.519 -0.032 0.000 1.205 694 W CA 2.026 59.273 57.345 -0.164 0.000 1.285 694 W CB -0.017 29.275 29.460 -0.280 0.000 1.133 694 W HN 0.265 nan 8.180 nan 0.000 0.521 695 K N 0.169 120.682 120.400 0.190 0.000 2.097 695 K HA -0.185 4.133 4.320 -0.004 0.000 0.206 695 K C 2.013 178.521 176.600 -0.152 0.000 1.049 695 K CA 1.687 57.963 56.287 -0.018 0.000 0.933 695 K CB -0.482 32.128 32.500 0.184 0.000 0.717 695 K HN 0.288 nan 8.250 nan 0.000 0.442 696 L N 0.338 121.510 121.223 -0.086 0.000 2.056 696 L HA -0.127 4.210 4.340 -0.004 0.000 0.207 696 L C 2.600 179.357 176.870 -0.189 0.000 1.078 696 L CA 1.129 55.914 54.840 -0.092 0.000 0.749 696 L CB -0.515 41.524 42.059 -0.033 0.000 0.901 696 L HN 0.241 nan 8.230 nan 0.000 0.433 697 A N -0.099 122.569 122.820 -0.253 0.000 1.940 697 A HA -0.247 4.070 4.320 -0.004 0.000 0.219 697 A C 2.461 179.710 177.584 -0.558 0.000 1.176 697 A CA 1.823 53.600 52.037 -0.433 0.000 0.631 697 A CB -0.529 18.248 19.000 -0.371 0.000 0.814 697 A HN 0.355 nan 8.150 nan 0.000 0.446 698 R N -0.734 119.505 120.500 -0.435 0.000 2.080 698 R HA -0.085 4.253 4.340 -0.004 0.000 0.222 698 R C 1.001 177.159 176.300 -0.238 0.000 1.107 698 R CA 1.349 57.246 56.100 -0.338 0.000 0.980 698 R CB -0.210 29.769 30.300 -0.535 0.000 0.879 698 R HN 0.362 nan 8.270 nan 0.000 0.439 699 D N 0.369 120.636 120.400 -0.222 0.000 2.312 699 D HA -0.072 4.565 4.640 -0.004 0.000 0.211 699 D C 0.699 176.910 176.300 -0.147 0.000 0.964 699 D CA 0.829 54.737 54.000 -0.153 0.000 0.877 699 D CB 0.009 40.745 40.800 -0.105 0.000 0.924 699 D HN 0.241 nan 8.370 nan 0.000 0.515 700 N N -0.672 117.931 118.700 -0.162 0.000 2.197 700 N HA -0.058 4.679 4.740 -0.004 0.000 0.201 700 N C 0.022 175.420 175.510 -0.186 0.000 1.148 700 N CA -0.273 52.676 53.050 -0.167 0.000 0.883 700 N CB 0.321 38.730 38.487 -0.131 0.000 1.012 700 N HN 0.174 nan 8.380 nan 0.000 0.507 701 Y N 2.959 123.068 120.300 -0.318 0.000 2.712 701 Y HA -0.150 4.398 4.550 -0.004 0.000 0.333 701 Y C 1.809 177.559 175.900 -0.250 0.000 1.225 701 Y CA -0.457 57.459 58.100 -0.305 0.000 1.499 701 Y CB 0.442 38.678 38.460 -0.372 0.000 1.288 701 Y HN 0.180 nan 8.280 nan 0.000 0.575 702 W N 4.662 125.450 121.300 -0.852 0.000 2.321 702 W HA -0.256 4.401 4.660 -0.004 0.000 0.306 702 W C -0.390 175.876 176.519 -0.420 0.000 1.217 702 W CA 1.290 58.263 57.345 -0.620 0.000 1.257 702 W CB -0.742 28.347 29.460 -0.618 0.000 1.145 702 W HN 0.610 nan 8.180 nan 0.000 0.509 703 N N 2.067 119.850 118.700 -1.527 0.000 2.500 703 N HA 0.011 4.749 4.740 -0.004 0.000 0.236 703 N C 1.082 176.365 175.510 -0.378 0.000 1.022 703 N CA 0.014 52.411 53.050 -1.088 0.000 0.935 703 N CB 0.765 38.267 38.487 -1.641 0.000 1.147 703 N HN 0.134 nan 8.380 nan 0.000 0.512 704 E N 3.583 123.614 120.200 -0.281 0.000 2.097 704 E HA -0.277 4.070 4.350 -0.004 0.000 0.196 704 E C 1.623 178.138 176.600 -0.142 0.000 1.000 704 E CA 1.591 57.889 56.400 -0.171 0.000 0.804 704 E CB 0.030 29.636 29.700 -0.157 0.000 0.740 704 E HN 0.768 nan 8.360 nan 0.000 0.454 705 A N 0.550 123.273 122.820 -0.162 0.000 1.841 705 A HA -0.197 4.120 4.320 -0.004 0.000 0.216 705 A C 2.453 179.966 177.584 -0.120 0.000 1.199 705 A CA 1.956 53.917 52.037 -0.126 0.000 0.621 705 A CB -1.029 17.896 19.000 -0.125 0.000 0.835 705 A HN 0.235 nan 8.150 nan 0.000 0.445 706 V N 0.123 119.949 119.914 -0.147 0.000 2.469 706 V HA -0.288 3.829 4.120 -0.004 0.000 0.251 706 V C 2.998 178.991 176.094 -0.169 0.000 1.064 706 V CA 1.959 64.170 62.300 -0.149 0.000 1.066 706 V CB -1.558 30.167 31.823 -0.163 0.000 0.667 706 V HN 0.661 nan 8.190 nan 0.000 0.461 707 A N 0.263 123.006 122.820 -0.129 0.000 1.873 707 A HA -0.339 3.978 4.320 -0.004 0.000 0.218 707 A C 2.348 179.876 177.584 -0.093 0.000 1.193 707 A CA 2.511 54.499 52.037 -0.082 0.000 0.629 707 A CB -0.628 18.344 19.000 -0.047 0.000 0.826 707 A HN 0.551 nan 8.150 nan 0.000 0.447 708 K N -0.751 119.600 120.400 -0.080 0.000 2.089 708 K HA -0.254 4.063 4.320 -0.004 0.000 0.210 708 K C 2.155 178.737 176.600 -0.030 0.000 1.048 708 K CA 1.917 58.174 56.287 -0.050 0.000 0.926 708 K CB -0.136 32.337 32.500 -0.044 0.000 0.714 708 K HN 0.552 nan 8.250 nan 0.000 0.448 709 E N 0.581 120.749 120.200 -0.054 0.000 2.033 709 E HA -0.137 4.211 4.350 -0.004 0.000 0.189 709 E C 2.091 178.656 176.600 -0.059 0.000 0.979 709 E CA 0.841 57.216 56.400 -0.041 0.000 0.802 709 E CB 0.018 29.688 29.700 -0.050 0.000 0.763 709 E HN 0.269 nan 8.360 nan 0.000 0.449 710 I N 1.988 122.463 120.570 -0.157 0.000 2.163 710 I HA -0.282 3.885 4.170 -0.004 0.000 0.243 710 I C 2.744 178.746 176.117 -0.191 0.000 1.085 710 I CA 1.615 62.744 61.300 -0.285 0.000 1.347 710 I CB -1.706 35.888 38.000 -0.678 0.000 1.044 710 I HN 0.137 nan 8.210 nan 0.000 0.408 711 S N 1.021 116.643 115.700 -0.130 0.000 2.351 711 S HA -0.229 4.238 4.470 -0.004 0.000 0.220 711 S C 1.786 176.673 174.600 0.477 0.000 1.035 711 S CA 1.346 59.582 58.200 0.061 0.000 1.031 711 S CB -0.928 62.147 63.200 -0.210 0.000 0.928 711 S HN 0.507 nan 8.310 nan 0.000 0.433 712 E N 0.893 121.289 120.200 0.326 0.000 2.265 712 E HA -0.118 4.229 4.350 -0.004 0.000 0.196 712 E C 2.296 179.046 176.600 0.249 0.000 0.996 712 E CA 0.766 57.354 56.400 0.313 0.000 0.832 712 E CB -0.163 29.640 29.700 0.172 0.000 0.756 712 E HN 0.570 nan 8.360 nan 0.000 0.491 713 R N 1.065 121.678 120.500 0.190 0.000 2.161 713 R HA -0.022 4.315 4.340 -0.004 0.000 0.213 713 R C 2.191 178.610 176.300 0.198 0.000 1.055 713 R CA 0.691 56.878 56.100 0.145 0.000 0.996 713 R CB 0.103 30.448 30.300 0.076 0.000 0.901 713 R HN 0.267 nan 8.270 nan 0.000 0.456 714 I N -3.427 117.324 120.570 0.302 0.000 4.035 714 I HA 0.091 4.259 4.170 -0.004 0.000 0.321 714 I C 1.768 178.188 176.117 0.506 0.000 1.289 714 I CA -0.218 61.320 61.300 0.397 0.000 1.236 714 I CB -0.387 37.865 38.000 0.420 0.000 1.076 714 I HN -0.051 nan 8.210 nan 0.000 0.418 715 Y N 2.729 123.270 120.300 0.402 0.000 1.993 715 Y HA -0.375 4.173 4.550 -0.005 0.000 0.267 715 Y C 2.734 178.693 175.900 0.099 0.000 1.155 715 Y CA 2.706 60.884 58.100 0.130 0.000 1.105 715 Y CB -0.184 38.095 38.460 -0.302 0.000 0.960 715 Y HN 0.295 nan 8.280 nan 0.000 0.486 716 E N 0.421 120.662 120.200 0.069 0.000 2.058 716 E HA -0.334 4.014 4.350 -0.004 0.000 0.194 716 E C 2.375 178.907 176.600 -0.113 0.000 0.997 716 E CA 1.736 58.091 56.400 -0.076 0.000 0.801 716 E CB -0.351 29.386 29.700 0.062 0.000 0.746 716 E HN 0.519 nan 8.360 nan 0.000 0.450 717 K N -0.415 119.956 120.400 -0.048 0.000 2.059 717 K HA -0.231 4.087 4.320 -0.004 0.000 0.212 717 K C 1.902 178.414 176.600 -0.147 0.000 1.050 717 K CA 2.026 58.232 56.287 -0.134 0.000 0.927 717 K CB -0.307 32.045 32.500 -0.247 0.000 0.714 717 K HN 0.263 nan 8.250 nan 0.000 0.447 718 Y N -0.167 120.167 120.300 0.057 0.000 2.490 718 Y HA 0.070 4.617 4.550 -0.004 0.000 0.285 718 Y C 2.462 178.104 175.900 -0.431 0.000 1.117 718 Y CA 0.547 58.640 58.100 -0.011 0.000 1.262 718 Y CB 0.135 38.699 38.460 0.173 0.000 1.043 718 Y HN 0.080 nan 8.280 nan 0.000 0.553 719 R N 0.730 120.906 120.500 -0.540 0.000 2.115 719 R HA -0.125 4.213 4.340 -0.004 0.000 0.230 719 R C 1.158 177.193 176.300 -0.441 0.000 1.111 719 R CA 1.280 56.848 56.100 -0.886 0.000 0.976 719 R CB -0.056 29.707 30.300 -0.896 0.000 0.870 719 R HN 0.296 nan 8.270 nan 0.000 0.445 720 N N 0.577 119.123 118.700 -0.257 0.000 2.573 720 N HA -0.096 4.642 4.740 -0.004 0.000 0.187 720 N C 1.285 176.723 175.510 -0.120 0.000 1.107 720 N CA 0.749 53.713 53.050 -0.143 0.000 0.918 720 N CB 0.135 38.579 38.487 -0.072 0.000 0.966 720 N HN 0.348 nan 8.380 nan 0.000 0.448 721 L N -0.426 120.708 121.223 -0.149 0.000 2.513 721 L HA 0.112 4.449 4.340 -0.004 0.000 0.222 721 L C 1.905 178.709 176.870 -0.110 0.000 1.096 721 L CA 0.064 54.829 54.840 -0.125 0.000 0.857 721 L CB 0.004 41.984 42.059 -0.132 0.000 1.026 721 L HN -0.128 nan 8.230 nan 0.000 0.469 722 V N 1.411 121.227 119.914 -0.163 0.000 2.252 722 V HA -0.205 3.913 4.120 -0.004 0.000 0.249 722 V C -0.143 175.967 176.094 0.026 0.000 1.056 722 V CA 2.271 64.514 62.300 -0.096 0.000 1.022 722 V CB -1.775 29.955 31.823 -0.155 0.000 0.641 722 V HN 0.388 nan 8.190 nan 0.000 0.445 723 P HA -0.120 nan 4.420 nan 0.000 0.226 723 P C 1.476 178.790 177.300 0.024 0.000 1.146 723 P CA 1.327 64.447 63.100 0.033 0.000 0.773 723 P CB -0.078 31.618 31.700 -0.007 0.000 0.772 724 L N -1.499 119.726 121.223 0.003 0.000 2.509 724 L HA 0.099 4.436 4.340 -0.004 0.000 0.222 724 L C 1.082 177.973 176.870 0.035 0.000 1.123 724 L CA -0.026 54.809 54.840 -0.007 0.000 0.856 724 L CB -0.442 41.587 42.059 -0.048 0.000 0.985 724 L HN -0.100 nan 8.230 nan 0.000 0.456 725 C N 1.032 120.386 119.300 0.089 0.000 2.482 725 C HA 0.148 4.605 4.460 -0.004 0.000 0.378 725 C C 1.532 176.713 174.990 0.318 0.000 1.284 725 C CA -0.376 58.741 59.018 0.166 0.000 1.826 725 C CB 0.516 28.317 27.740 0.102 0.000 2.473 725 C HN 0.301 nan 8.230 nan 0.000 0.562 726 K N 0.739 121.297 120.400 0.263 0.000 2.399 726 K HA 0.107 4.424 4.320 -0.004 0.000 0.196 726 K C 1.129 177.899 176.600 0.284 0.000 1.103 726 K CA 0.450 56.868 56.287 0.218 0.000 0.986 726 K CB 0.263 32.838 32.500 0.125 0.000 0.952 726 K HN 0.852 nan 8.250 nan 0.000 0.541 727 T N -2.773 111.991 114.554 0.349 0.000 2.940 727 T HA 0.394 4.741 4.350 -0.004 0.000 0.288 727 T C 0.913 175.835 174.700 0.371 0.000 1.045 727 T CA -0.820 61.484 62.100 0.340 0.000 1.018 727 T CB 2.030 71.061 68.868 0.271 0.000 1.151 727 T HN -0.166 nan 8.240 nan 0.000 0.529 728 R N -0.222 120.435 120.500 0.262 0.000 2.081 728 R HA -0.074 4.264 4.340 -0.004 0.000 0.235 728 R C 1.987 178.278 176.300 -0.014 0.000 1.131 728 R CA 1.724 57.786 56.100 -0.063 0.000 0.960 728 R CB -1.683 28.359 30.300 -0.429 0.000 0.856 728 R HN 0.787 nan 8.270 nan 0.000 0.436 729 Y N 1.491 121.943 120.300 0.252 0.000 2.165 729 Y HA -0.212 4.335 4.550 -0.004 0.000 0.286 729 Y C 1.570 177.589 175.900 0.199 0.000 1.155 729 Y CA 2.124 60.498 58.100 0.457 0.000 1.164 729 Y CB -0.419 38.259 38.460 0.364 0.000 0.978 729 Y HN 0.174 nan 8.280 nan 0.000 0.513 730 D N 0.235 120.667 120.400 0.053 0.000 2.103 730 D HA -0.252 4.385 4.640 -0.004 0.000 0.190 730 D C 2.487 178.687 176.300 -0.166 0.000 0.997 730 D CA 1.523 55.478 54.000 -0.076 0.000 0.833 730 D CB -0.747 40.077 40.800 0.040 0.000 0.961 730 D HN 0.371 nan 8.370 nan 0.000 0.447 731 L N 0.821 121.878 121.223 -0.277 0.000 2.081 731 L HA -0.229 4.108 4.340 -0.004 0.000 0.212 731 L C 2.392 179.148 176.870 -0.189 0.000 1.080 731 L CA 1.563 56.156 54.840 -0.412 0.000 0.754 731 L CB -0.481 40.989 42.059 -0.982 0.000 0.893 731 L HN 0.024 nan 8.230 nan 0.000 0.433 732 S N 0.139 115.785 115.700 -0.090 0.000 2.359 732 S HA -0.237 4.231 4.470 -0.004 0.000 0.224 732 S C 1.586 176.155 174.600 -0.051 0.000 1.035 732 S CA 2.005 60.228 58.200 0.038 0.000 1.018 732 S CB -0.248 63.123 63.200 0.285 0.000 0.876 732 S HN 0.573 nan 8.310 nan 0.000 0.448 733 N N 0.416 119.011 118.700 -0.175 0.000 2.094 733 N HA -0.089 4.649 4.740 -0.004 0.000 0.191 733 N C 1.636 177.117 175.510 -0.048 0.000 1.023 733 N CA 1.592 54.553 53.050 -0.149 0.000 0.857 733 N CB -0.395 37.962 38.487 -0.216 0.000 1.013 733 N HN 0.269 nan 8.380 nan 0.000 0.426 734 V N 0.789 120.680 119.914 -0.040 0.000 2.283 734 V HA -0.145 3.972 4.120 -0.004 0.000 0.243 734 V C 2.075 178.186 176.094 0.028 0.000 1.039 734 V CA 1.286 63.607 62.300 0.034 0.000 1.016 734 V CB -0.472 31.364 31.823 0.022 0.000 0.650 734 V HN 0.286 nan 8.190 nan 0.000 0.449 735 I N -0.063 120.539 120.570 0.054 0.000 2.163 735 I HA -0.244 3.923 4.170 -0.004 0.000 0.243 735 I C 2.389 178.514 176.117 0.013 0.000 1.085 735 I CA 1.441 62.787 61.300 0.078 0.000 1.347 735 I CB -0.409 37.638 38.000 0.078 0.000 1.044 735 I HN 0.155 nan 8.210 nan 0.000 0.408 736 V N 0.446 120.372 119.914 0.020 0.000 2.343 736 V HA -0.244 3.873 4.120 -0.004 0.000 0.247 736 V C 2.459 178.550 176.094 -0.004 0.000 1.051 736 V CA 1.705 64.034 62.300 0.047 0.000 1.036 736 V CB -0.664 31.206 31.823 0.079 0.000 0.654 736 V HN 0.410 nan 8.190 nan 0.000 0.451 737 E N 0.248 120.401 120.200 -0.079 0.000 2.110 737 E HA -0.266 4.082 4.350 -0.004 0.000 0.193 737 E C 2.171 178.484 176.600 -0.479 0.000 0.988 737 E CA 1.936 58.236 56.400 -0.167 0.000 0.804 737 E CB -0.326 29.367 29.700 -0.012 0.000 0.745 737 E HN 0.766 nan 8.360 nan 0.000 0.458 738 M N 0.012 119.187 119.600 -0.708 0.000 2.349 738 M HA -0.055 4.422 4.480 -0.004 0.000 0.266 738 M C 1.724 177.969 176.300 -0.091 0.000 1.076 738 M CA 1.482 56.402 55.300 -0.633 0.000 1.126 738 M CB -0.110 32.276 32.600 -0.356 0.000 1.392 738 M HN -0.132 nan 8.290 nan 0.000 0.440 739 Q N 0.606 120.405 119.800 -0.003 0.000 2.119 739 Q HA 0.052 4.389 4.340 -0.004 0.000 0.201 739 Q C 2.191 178.292 176.000 0.169 0.000 0.972 739 Q CA 1.287 57.174 55.803 0.140 0.000 0.847 739 Q CB -0.574 28.229 28.738 0.109 0.000 0.903 739 Q HN 0.790 nan 8.270 nan 0.000 0.433 740 G N 1.163 110.011 108.800 0.080 0.000 2.479 740 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.220 740 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.220 740 G C 1.155 176.096 174.900 0.069 0.000 1.115 740 G CA 0.434 45.581 45.100 0.078 0.000 0.757 740 G HN 0.198 nan 8.290 nan 0.000 0.560 741 E N 0.136 120.352 120.200 0.027 0.000 2.265 741 E HA -0.112 4.236 4.350 -0.004 0.000 0.196 741 E C 1.452 177.976 176.600 -0.126 0.000 0.996 741 E CA 0.546 56.934 56.400 -0.020 0.000 0.832 741 E CB -0.263 29.418 29.700 -0.031 0.000 0.756 741 E HN 0.682 nan 8.360 nan 0.000 0.491 742 Y N 0.486 120.770 120.300 -0.027 0.000 2.578 742 Y HA 0.088 4.636 4.550 -0.004 0.000 0.297 742 Y C 0.560 176.487 175.900 0.046 0.000 1.176 742 Y CA 0.084 58.119 58.100 -0.109 0.000 1.315 742 Y CB -0.094 38.261 38.460 -0.174 0.000 1.031 742 Y HN -0.114 nan 8.280 nan 0.000 0.524 743 R N 0.592 121.227 120.500 0.225 0.000 3.387 743 R HA -0.183 4.155 4.340 -0.004 0.000 0.254 743 R C -0.630 175.909 176.300 0.399 0.000 1.006 743 R CA 0.993 57.312 56.100 0.365 0.000 0.677 743 R CB -2.377 28.106 30.300 0.304 0.000 1.063 743 R HN 0.140 nan 8.270 nan 0.000 0.453 744 T N -1.546 113.035 114.554 0.046 0.000 2.883 744 T HA 0.429 4.776 4.350 -0.004 0.000 0.296 744 T C 0.262 174.215 174.700 -1.245 0.000 1.117 744 T CA -0.399 61.542 62.100 -0.264 0.000 1.006 744 T CB 1.901 70.878 68.868 0.182 0.000 1.191 744 T HN 0.226 nan 8.240 nan 0.000 0.508 745 S N -0.104 114.768 115.700 -1.379 0.000 2.640 745 S HA 0.297 4.765 4.470 -0.004 0.000 0.262 745 S C 0.074 174.397 174.600 -0.461 0.000 1.232 745 S CA -0.123 57.211 58.200 -1.442 0.000 0.988 745 S CB -0.394 62.161 63.200 -1.074 0.000 1.034 745 S HN 0.920 nan 8.310 nan 0.000 0.569 746 H N -1.371 117.461 119.070 -0.397 0.000 2.776 746 H HA -0.119 4.435 4.556 -0.005 0.000 0.300 746 H C -0.439 174.420 175.328 -0.783 0.000 1.161 746 H CA 0.875 56.463 56.048 -0.767 0.000 1.147 746 H CB -2.360 27.137 29.762 -0.442 0.000 1.366 746 H HN 0.450 nan 8.280 nan 0.000 0.397 747 S N 0.906 116.400 115.700 -0.342 0.000 2.665 747 S HA 0.342 4.809 4.470 -0.004 0.000 0.230 747 S C -0.054 174.609 174.600 0.106 0.000 1.326 747 S CA -0.660 57.478 58.200 -0.103 0.000 1.055 747 S CB 0.095 63.309 63.200 0.023 0.000 1.178 747 S HN 0.332 nan 8.310 nan 0.000 0.489 748 Y N 1.090 121.402 120.300 0.020 0.000 2.596 748 Y HA 0.589 5.136 4.550 -0.005 0.000 0.326 748 Y C 0.682 176.578 175.900 -0.008 0.000 1.167 748 Y CA -1.312 56.769 58.100 -0.030 0.000 1.246 748 Y CB 1.017 39.447 38.460 -0.049 0.000 1.347 748 Y HN 0.295 nan 8.280 nan 0.000 0.515 749 E N 2.196 122.493 120.200 0.160 0.000 2.281 749 E HA 0.390 4.737 4.350 -0.004 0.000 0.266 749 E C -1.846 174.799 176.600 0.075 0.000 0.893 749 E CA -0.460 56.008 56.400 0.113 0.000 0.798 749 E CB 1.185 30.951 29.700 0.111 0.000 1.245 749 E HN 0.673 nan 8.360 nan 0.000 0.410 750 M N 2.313 121.967 119.600 0.089 0.000 2.619 750 M HA 0.669 5.147 4.480 -0.004 0.000 0.297 750 M C 0.318 176.681 176.300 0.105 0.000 1.229 750 M CA -0.340 54.994 55.300 0.058 0.000 0.860 750 M CB 2.129 34.746 32.600 0.029 0.000 1.741 750 M HN 0.745 nan 8.290 nan 0.000 0.462 751 G N 0.590 109.453 108.800 0.104 0.000 2.693 751 G HA2 0.318 4.276 3.960 -0.004 0.000 0.226 751 G HA3 0.318 4.276 3.960 -0.004 0.000 0.226 751 G C -0.064 174.985 174.900 0.250 0.000 1.354 751 G CA -0.123 45.061 45.100 0.140 0.000 0.873 751 G HN 1.888 nan 8.290 nan 0.000 0.562 752 G N -3.215 105.713 108.800 0.214 0.000 2.707 752 G HA2 0.443 4.401 3.960 -0.004 0.000 0.686 752 G HA3 0.443 4.401 3.960 -0.004 0.000 0.686 752 G C -0.270 174.778 174.900 0.246 0.000 1.315 752 G CA 0.429 45.659 45.100 0.216 0.000 0.832 752 G HN 2.111 nan 8.290 nan 0.000 0.573 753 T N 1.405 116.048 114.554 0.149 0.000 2.770 753 T HA 0.573 4.920 4.350 -0.004 0.000 0.297 753 T C 0.652 175.362 174.700 0.016 0.000 0.997 753 T CA -0.070 62.131 62.100 0.168 0.000 0.949 753 T CB 0.877 69.895 68.868 0.250 0.000 0.941 753 T HN 0.437 nan 8.240 nan 0.000 0.457 754 F N 1.309 121.326 119.950 0.110 0.000 2.622 754 F HA 0.295 4.820 4.527 -0.005 0.000 0.288 754 F C 1.593 177.441 175.800 0.079 0.000 1.120 754 F CA -0.117 57.950 58.000 0.111 0.000 1.423 754 F CB 0.877 39.935 39.000 0.096 0.000 1.127 754 F HN 0.445 nan 8.300 nan 0.000 0.588 755 T N -0.940 113.740 114.554 0.210 0.000 2.853 755 T HA 0.162 4.510 4.350 -0.004 0.000 0.311 755 T C -0.773 173.966 174.700 0.065 0.000 1.307 755 T CA -0.640 61.526 62.100 0.110 0.000 1.019 755 T CB 1.349 70.257 68.868 0.068 0.000 1.264 755 T HN 0.163 nan 8.240 nan 0.000 0.497 756 D N 1.427 121.847 120.400 0.033 0.000 2.342 756 D HA 0.128 4.765 4.640 -0.004 0.000 0.221 756 D C 0.067 176.355 176.300 -0.021 0.000 1.101 756 D CA -0.271 53.737 54.000 0.014 0.000 0.837 756 D CB 0.287 41.096 40.800 0.015 0.000 0.938 756 D HN 0.182 nan 8.370 nan 0.000 0.508 757 K N 1.446 121.821 120.400 -0.042 0.000 2.218 757 K HA 0.157 4.474 4.320 -0.004 0.000 0.276 757 K C -0.014 176.518 176.600 -0.113 0.000 1.022 757 K CA -0.493 55.736 56.287 -0.096 0.000 0.946 757 K CB 1.060 33.474 32.500 -0.143 0.000 1.000 757 K HN 0.088 nan 8.250 nan 0.000 0.468 758 D N 3.766 124.087 120.400 -0.132 0.000 2.372 758 D HA 0.116 4.753 4.640 -0.004 0.000 0.243 758 D C -2.036 174.151 176.300 -0.187 0.000 1.121 758 D CA -1.233 52.694 54.000 -0.121 0.000 0.898 758 D CB 0.449 41.192 40.800 -0.095 0.000 1.202 758 D HN 0.214 nan 8.370 nan 0.000 0.428 759 P HA -0.003 nan 4.420 nan 0.000 0.266 759 P C -0.119 177.120 177.300 -0.102 0.000 1.195 759 P CA -0.141 62.897 63.100 -0.103 0.000 0.768 759 P CB 0.323 32.009 31.700 -0.024 0.000 0.838 760 F N 2.471 122.420 119.950 -0.003 0.000 2.602 760 F HA 0.068 4.592 4.527 -0.005 0.000 0.367 760 F C 1.847 177.654 175.800 0.013 0.000 1.126 760 F CA 0.832 58.834 58.000 0.003 0.000 1.321 760 F CB 0.251 39.241 39.000 -0.018 0.000 1.094 760 F HN 0.095 nan 8.300 nan 0.000 0.594 761 R N 1.232 121.881 120.500 0.249 0.000 2.732 761 R HA 0.599 4.936 4.340 -0.004 0.000 0.278 761 R C -0.866 175.541 176.300 0.178 0.000 0.976 761 R CA -0.870 55.327 56.100 0.163 0.000 0.963 761 R CB 1.994 32.365 30.300 0.120 0.000 1.150 761 R HN 0.569 nan 8.270 nan 0.000 0.478 762 S N -0.156 115.623 115.700 0.132 0.000 2.619 762 S HA 0.495 4.962 4.470 -0.004 0.000 0.280 762 S C -0.708 173.955 174.600 0.106 0.000 1.150 762 S CA -0.595 57.688 58.200 0.138 0.000 0.978 762 S CB 1.573 64.849 63.200 0.127 0.000 1.041 762 S HN 0.757 nan 8.310 nan 0.000 0.485 763 G N 3.530 112.395 108.800 0.108 0.000 2.320 763 G HA2 0.585 4.542 3.960 -0.004 0.000 0.300 763 G HA3 0.585 4.542 3.960 -0.004 0.000 0.300 763 G C -0.636 174.321 174.900 0.095 0.000 1.126 763 G CA -0.465 44.681 45.100 0.076 0.000 0.896 763 G HN 0.631 nan 8.290 nan 0.000 0.436 764 R N 1.565 122.107 120.500 0.069 0.000 2.686 764 R HA 0.440 4.778 4.340 -0.004 0.000 0.286 764 R C 0.412 176.742 176.300 0.050 0.000 0.969 764 R CA -0.788 55.347 56.100 0.060 0.000 0.898 764 R CB 1.985 32.295 30.300 0.016 0.000 1.183 764 R HN 0.483 nan 8.270 nan 0.000 0.456 765 I N -0.173 120.428 120.570 0.053 0.000 3.621 765 I HA 0.416 4.583 4.170 -0.004 0.000 0.325 765 I C 0.043 176.179 176.117 0.033 0.000 1.554 765 I CA -0.712 60.621 61.300 0.055 0.000 1.053 765 I CB 0.100 38.148 38.000 0.081 0.000 1.302 765 I HN 0.668 nan 8.210 nan 0.000 0.518 766 A N 0.493 123.306 122.820 -0.011 0.000 2.667 766 A HA -0.172 4.145 4.320 -0.004 0.000 0.298 766 A C 0.149 177.775 177.584 0.070 0.000 1.483 766 A CA 0.972 53.002 52.037 -0.013 0.000 0.738 766 A CB -2.424 16.620 19.000 0.073 0.000 1.067 766 A HN 0.672 nan 8.150 nan 0.000 0.451 767 C N -0.109 119.136 119.300 -0.092 0.000 3.090 767 C HA 0.708 5.166 4.460 -0.004 0.000 0.305 767 C C -0.578 174.145 174.990 -0.445 0.000 1.292 767 C CA -0.818 58.085 59.018 -0.191 0.000 1.482 767 C CB 2.143 29.675 27.740 -0.347 0.000 1.897 767 C HN 0.671 nan 8.230 nan 0.000 0.469 768 D N 1.006 121.232 120.400 -0.291 0.000 2.256 768 D HA 0.577 5.214 4.640 -0.004 0.000 0.240 768 D C -0.928 175.207 176.300 -0.275 0.000 1.062 768 D CA 0.123 53.988 54.000 -0.225 0.000 0.832 768 D CB 0.807 41.644 40.800 0.062 0.000 1.135 768 D HN 0.298 nan 8.370 nan 0.000 0.484 769 F N 1.184 121.252 119.950 0.197 0.000 2.422 769 F HA 0.409 4.933 4.527 -0.005 0.000 0.333 769 F C 0.861 176.847 175.800 0.310 0.000 1.095 769 F CA -0.939 57.180 58.000 0.199 0.000 1.038 769 F CB 1.796 40.814 39.000 0.030 0.000 1.156 769 F HN -0.111 nan 8.300 nan 0.000 0.483 770 K N 3.813 124.510 120.400 0.496 0.000 2.463 770 K HA 0.318 4.635 4.320 -0.004 0.000 0.255 770 K C -1.466 175.318 176.600 0.307 0.000 0.942 770 K CA -0.772 55.733 56.287 0.363 0.000 0.814 770 K CB 1.336 33.981 32.500 0.241 0.000 1.122 770 K HN 0.584 nan 8.250 nan 0.000 0.425 771 L N 5.305 126.656 121.223 0.214 0.000 2.407 771 L HA 0.177 4.515 4.340 -0.004 0.000 0.282 771 L C -0.784 176.079 176.870 -0.012 0.000 1.110 771 L CA 0.853 55.664 54.840 -0.049 0.000 0.863 771 L CB 0.273 42.230 42.059 -0.170 0.000 1.207 771 L HN 0.832 nan 8.230 nan 0.000 0.454 772 D N 4.658 125.057 120.400 -0.002 0.000 2.440 772 D HA 0.447 5.084 4.640 -0.004 0.000 0.239 772 D C 0.619 176.917 176.300 -0.003 0.000 1.084 772 D CA 0.619 54.631 54.000 0.019 0.000 0.843 772 D CB 1.589 42.423 40.800 0.056 0.000 1.097 772 D HN 0.812 nan 8.370 nan 0.000 0.531 773 G N 5.186 113.972 108.800 -0.024 0.000 2.557 773 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.292 773 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.292 773 G C 0.412 175.255 174.900 -0.095 0.000 1.162 773 G CA 0.551 45.630 45.100 -0.034 0.000 0.964 773 G HN 0.661 nan 8.290 nan 0.000 0.541 774 D N 0.218 120.546 120.400 -0.121 0.000 2.501 774 D HA 0.238 4.875 4.640 -0.004 0.000 0.224 774 D C 0.110 176.151 176.300 -0.432 0.000 1.202 774 D CA 0.049 53.893 54.000 -0.260 0.000 0.829 774 D CB 0.081 40.721 40.800 -0.265 0.000 1.023 774 D HN 0.575 nan 8.370 nan 0.000 0.499 775 H N -0.107 118.886 119.070 -0.129 0.000 2.717 775 H HA 0.252 4.806 4.556 -0.004 0.000 0.366 775 H C -1.080 174.186 175.328 -0.103 0.000 1.132 775 H CA -0.563 55.430 56.048 -0.093 0.000 1.180 775 H CB 1.481 31.227 29.762 -0.028 0.000 1.678 775 H HN -0.036 nan 8.280 nan 0.000 0.537 776 Y N 0.853 121.209 120.300 0.093 0.000 2.304 776 Y HA 0.245 4.793 4.550 -0.004 0.000 0.328 776 Y C 0.532 176.488 175.900 0.093 0.000 1.123 776 Y CA -0.130 57.995 58.100 0.042 0.000 1.218 776 Y CB 1.432 39.816 38.460 -0.126 0.000 1.207 776 Y HN 0.231 nan 8.280 nan 0.000 0.495 777 V N 4.520 124.625 119.914 0.318 0.000 2.815 777 V HA 0.490 4.607 4.120 -0.004 0.000 0.314 777 V C -0.950 175.340 176.094 0.327 0.000 1.064 777 V CA -0.877 61.574 62.300 0.252 0.000 0.952 777 V CB 1.960 33.883 31.823 0.167 0.000 1.020 777 V HN 0.474 nan 8.190 nan 0.000 0.439 778 V N 7.102 127.179 119.914 0.272 0.000 2.370 778 V HA 0.313 4.430 4.120 -0.004 0.000 0.257 778 V C 1.279 177.456 176.094 0.138 0.000 1.064 778 V CA 0.680 63.118 62.300 0.230 0.000 0.975 778 V CB 0.063 31.990 31.823 0.172 0.000 1.067 778 V HN 1.108 nan 8.190 nan 0.000 0.485 779 A N 4.919 127.812 122.820 0.122 0.000 1.929 779 A HA 0.070 4.388 4.320 -0.004 0.000 0.216 779 A C 1.105 178.701 177.584 0.020 0.000 1.176 779 A CA 1.005 53.093 52.037 0.085 0.000 0.628 779 A CB 0.134 19.202 19.000 0.113 0.000 0.816 779 A HN 0.655 nan 8.150 nan 0.000 0.444 780 K N -1.564 118.821 120.400 -0.026 0.000 2.523 780 K HA 0.589 4.906 4.320 -0.004 0.000 0.257 780 K C -1.822 174.701 176.600 -0.129 0.000 0.932 780 K CA -0.258 55.954 56.287 -0.125 0.000 0.812 780 K CB 1.903 34.261 32.500 -0.236 0.000 1.326 780 K HN 0.159 nan 8.250 nan 0.000 0.433 781 A N 3.875 126.614 122.820 -0.136 0.000 2.328 781 A HA 0.446 4.764 4.320 -0.004 0.000 0.318 781 A C -1.482 176.136 177.584 0.057 0.000 1.347 781 A CA -0.537 51.499 52.037 -0.001 0.000 0.842 781 A CB 0.033 19.017 19.000 -0.026 0.000 1.148 781 A HN 0.591 nan 8.150 nan 0.000 0.499 782 Y N 1.125 121.472 120.300 0.078 0.000 2.411 782 Y HA 0.426 4.972 4.550 -0.006 0.000 0.333 782 Y C 0.838 176.751 175.900 0.022 0.000 1.186 782 Y CA 0.773 58.889 58.100 0.027 0.000 1.381 782 Y CB 0.986 39.417 38.460 -0.049 0.000 1.273 782 Y HN 0.895 nan 8.280 nan 0.000 0.546 783 A N 1.394 124.185 122.820 -0.049 0.000 2.555 783 A HA 0.655 4.972 4.320 -0.004 0.000 0.297 783 A C -0.040 177.292 177.584 -0.421 0.000 1.060 783 A CA -0.079 51.731 52.037 -0.379 0.000 0.710 783 A CB 0.657 19.112 19.000 -0.909 0.000 1.282 783 A HN 0.839 nan 8.150 nan 0.000 0.399 784 G N -0.116 108.431 108.800 -0.422 0.000 2.930 784 G HA2 0.437 4.395 3.960 -0.004 0.000 0.209 784 G HA3 0.437 4.395 3.960 -0.004 0.000 0.209 784 G C -0.517 174.164 174.900 -0.366 0.000 2.018 784 G CA 0.510 45.409 45.100 -0.335 0.000 0.751 784 G HN 0.681 nan 8.290 nan 0.000 0.770 785 D N -0.151 120.108 120.400 -0.236 0.000 2.411 785 D HA 0.225 4.863 4.640 -0.004 0.000 0.225 785 D C 0.674 176.895 176.300 -0.131 0.000 1.156 785 D CA -0.589 53.327 54.000 -0.140 0.000 0.874 785 D CB 0.609 41.383 40.800 -0.044 0.000 1.034 785 D HN 0.227 nan 8.370 nan 0.000 0.502 786 Y N 1.730 121.955 120.300 -0.126 0.000 2.228 786 Y HA -0.237 4.308 4.550 -0.008 0.000 0.285 786 Y C 2.537 178.388 175.900 -0.081 0.000 1.178 786 Y CA 1.215 59.226 58.100 -0.149 0.000 1.202 786 Y CB -0.155 38.198 38.460 -0.178 0.000 0.974 786 Y HN 0.356 nan 8.280 nan 0.000 0.527 787 S N -0.581 115.179 115.700 0.100 0.000 2.527 787 S HA -0.020 4.447 4.470 -0.004 0.000 0.222 787 S C 0.667 175.290 174.600 0.039 0.000 0.985 787 S CA -0.052 58.183 58.200 0.057 0.000 0.921 787 S CB -0.262 62.964 63.200 0.045 0.000 0.772 787 S HN 0.305 nan 8.310 nan 0.000 0.529 788 N N 1.917 120.636 118.700 0.033 0.000 2.379 788 N HA 0.182 4.919 4.740 -0.004 0.000 0.260 788 N C -0.026 175.509 175.510 0.042 0.000 1.254 788 N CA -0.146 52.928 53.050 0.039 0.000 0.958 788 N CB 0.361 38.879 38.487 0.052 0.000 1.208 788 N HN 0.295 nan 8.380 nan 0.000 0.532 789 E N -0.773 119.458 120.200 0.050 0.000 2.242 789 E HA 0.370 4.717 4.350 -0.004 0.000 0.275 789 E C -0.002 176.648 176.600 0.083 0.000 1.002 789 E CA -0.639 55.788 56.400 0.044 0.000 0.841 789 E CB 0.447 30.155 29.700 0.013 0.000 1.109 789 E HN 0.704 nan 8.360 nan 0.000 0.394 790 G N 3.499 112.343 108.800 0.073 0.000 2.395 790 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.300 790 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.300 790 G C 0.136 175.138 174.900 0.171 0.000 0.998 790 G CA 0.889 46.057 45.100 0.113 0.000 1.046 790 G HN 0.686 nan 8.290 nan 0.000 0.513 791 E N -0.667 119.577 120.200 0.073 0.000 2.968 791 E HA 0.189 4.537 4.350 -0.004 0.000 0.202 791 E C 0.540 177.081 176.600 -0.098 0.000 0.979 791 E CA 0.041 56.426 56.400 -0.026 0.000 1.192 791 E CB 0.428 30.090 29.700 -0.065 0.000 1.059 791 E HN 0.803 nan 8.360 nan 0.000 0.470 792 K N -1.095 119.299 120.400 -0.010 0.000 2.625 792 K HA 0.258 4.576 4.320 -0.004 0.000 0.284 792 K C -0.677 176.052 176.600 0.215 0.000 0.984 792 K CA -0.777 55.527 56.287 0.029 0.000 0.865 792 K CB 1.292 33.709 32.500 -0.139 0.000 1.468 792 K HN -0.060 nan 8.250 nan 0.000 0.407 793 S N 1.853 117.792 115.700 0.400 0.000 2.544 793 S HA 0.075 4.543 4.470 -0.004 0.000 0.290 793 S C -1.064 173.708 174.600 0.286 0.000 1.276 793 S CA -0.823 57.552 58.200 0.292 0.000 1.075 793 S CB 0.251 63.567 63.200 0.195 0.000 0.849 793 S HN 0.549 nan 8.310 nan 0.000 0.494 794 P HA -0.142 nan 4.420 nan 0.000 0.222 794 P C 1.394 178.806 177.300 0.186 0.000 1.142 794 P CA 1.089 64.287 63.100 0.162 0.000 0.788 794 P CB -0.036 31.735 31.700 0.118 0.000 0.767 795 I N -1.504 119.138 120.570 0.120 0.000 2.315 795 I HA -0.221 3.947 4.170 -0.004 0.000 0.248 795 I C 2.288 178.475 176.117 0.117 0.000 1.117 795 I CA 1.237 62.577 61.300 0.067 0.000 1.404 795 I CB -0.702 37.215 38.000 -0.139 0.000 1.071 795 I HN -0.173 nan 8.210 nan 0.000 0.419 796 F N 1.342 121.357 119.950 0.108 0.000 2.184 796 F HA -0.273 4.252 4.527 -0.004 0.000 0.301 796 F C 2.384 178.228 175.800 0.073 0.000 1.076 796 F CA 1.378 59.441 58.000 0.104 0.000 1.295 796 F CB -0.479 38.621 39.000 0.167 0.000 1.026 796 F HN 0.136 nan 8.300 nan 0.000 0.494 797 E N -1.211 119.122 120.200 0.223 0.000 2.331 797 E HA -0.220 4.128 4.350 -0.004 0.000 0.199 797 E C 0.882 177.400 176.600 -0.137 0.000 1.008 797 E CA 0.856 57.265 56.400 0.015 0.000 0.843 797 E CB -0.244 29.405 29.700 -0.085 0.000 0.761 797 E HN 0.557 nan 8.360 nan 0.000 0.507 798 Y N -0.127 120.197 120.300 0.040 0.000 2.493 798 Y HA 0.203 4.756 4.550 0.005 0.000 0.275 798 Y C 1.265 177.167 175.900 0.002 0.000 1.183 798 Y CA 0.216 58.320 58.100 0.006 0.000 1.258 798 Y CB 0.856 39.301 38.460 -0.026 0.000 1.108 798 Y HN 0.007 nan 8.280 nan 0.000 0.521 799 G N 1.783 110.656 108.800 0.122 0.000 2.298 799 G HA2 -0.267 3.690 3.960 -0.004 0.000 0.287 799 G HA3 -0.267 3.690 3.960 -0.004 0.000 0.287 799 G C -0.262 174.681 174.900 0.071 0.000 1.075 799 G CA 0.503 45.655 45.100 0.087 0.000 0.960 799 G HN 0.529 nan 8.290 nan 0.000 0.502 800 I N -3.875 116.728 120.570 0.054 0.000 2.785 800 I HA 0.583 4.751 4.170 -0.004 0.000 0.293 800 I C -1.255 174.757 176.117 -0.175 0.000 1.446 800 I CA -1.499 59.775 61.300 -0.043 0.000 1.028 800 I CB 2.155 40.068 38.000 -0.145 0.000 1.349 800 I HN -0.016 nan 8.210 nan 0.000 0.438 801 D N 7.183 127.500 120.400 -0.137 0.000 2.347 801 D HA 0.354 4.991 4.640 -0.004 0.000 0.235 801 D C -1.505 174.594 176.300 -0.336 0.000 1.149 801 D CA -2.333 51.500 54.000 -0.278 0.000 0.850 801 D CB 1.729 42.583 40.800 0.090 0.000 1.061 801 D HN 0.444 nan 8.370 nan 0.000 0.487 802 P HA -0.092 nan 4.420 nan 0.000 0.228 802 P C 0.212 177.482 177.300 -0.049 0.000 1.151 802 P CA 0.261 63.114 63.100 -0.412 0.000 0.770 802 P CB -0.070 31.422 31.700 -0.345 0.000 0.786 803 T N 0.408 114.954 114.554 -0.014 0.000 2.923 803 T HA 0.237 4.585 4.350 -0.004 0.000 0.304 803 T C 1.600 176.412 174.700 0.187 0.000 1.044 803 T CA 1.449 63.597 62.100 0.079 0.000 1.141 803 T CB -0.221 68.684 68.868 0.061 0.000 1.023 803 T HN 0.388 nan 8.240 nan 0.000 0.533 804 G N 1.998 110.884 108.800 0.143 0.000 2.284 804 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.261 804 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.261 804 G C 0.221 175.188 174.900 0.111 0.000 0.997 804 G CA 0.144 45.310 45.100 0.109 0.000 0.621 804 G HN 0.746 nan 8.290 nan 0.000 0.534 805 Y N 0.246 120.551 120.300 0.007 0.000 2.426 805 Y HA 0.510 5.058 4.550 -0.003 0.000 0.344 805 Y C 1.365 177.276 175.900 0.017 0.000 1.256 805 Y CA -0.289 57.810 58.100 -0.002 0.000 1.451 805 Y CB 0.460 38.909 38.460 -0.019 0.000 1.342 805 Y HN 0.150 nan 8.280 nan 0.000 0.600 806 L N 3.683 124.975 121.223 0.116 0.000 2.322 806 L HA 0.405 4.742 4.340 -0.004 0.000 0.279 806 L C -0.665 176.246 176.870 0.068 0.000 1.036 806 L CA -0.579 54.295 54.840 0.057 0.000 0.807 806 L CB 1.276 43.280 42.059 -0.092 0.000 1.226 806 L HN 0.469 nan 8.230 nan 0.000 0.433 807 I N 3.096 123.714 120.570 0.081 0.000 2.297 807 I HA 0.104 4.271 4.170 -0.004 0.000 0.291 807 I C 0.856 177.010 176.117 0.062 0.000 1.033 807 I CA -0.385 60.937 61.300 0.038 0.000 1.253 807 I CB 1.327 39.300 38.000 -0.045 0.000 1.396 807 I HN 0.720 nan 8.210 nan 0.000 0.476 808 E N 4.834 125.050 120.200 0.027 0.000 2.004 808 E HA -0.067 4.280 4.350 -0.004 0.000 0.192 808 E C -0.139 176.495 176.600 0.056 0.000 0.987 808 E CA 1.262 57.700 56.400 0.063 0.000 0.822 808 E CB 0.013 29.720 29.700 0.012 0.000 0.779 808 E HN 0.787 nan 8.360 nan 0.000 0.458 809 D N -1.221 119.180 120.400 0.002 0.000 2.552 809 D HA 0.560 5.197 4.640 -0.004 0.000 0.239 809 D C -0.665 175.602 176.300 -0.055 0.000 1.139 809 D CA -0.594 53.392 54.000 -0.023 0.000 0.914 809 D CB 1.551 42.342 40.800 -0.015 0.000 1.461 809 D HN -0.057 nan 8.370 nan 0.000 0.462 810 I N 0.487 121.015 120.570 -0.070 0.000 2.447 810 I HA 0.268 4.436 4.170 -0.004 0.000 0.287 810 I C -0.686 175.393 176.117 -0.064 0.000 1.023 810 I CA -0.675 60.577 61.300 -0.080 0.000 1.083 810 I CB 1.822 39.753 38.000 -0.115 0.000 1.245 810 I HN 0.620 nan 8.210 nan 0.000 0.434 811 D N 5.152 125.520 120.400 -0.053 0.000 2.723 811 D HA -0.195 4.442 4.640 -0.004 0.000 0.236 811 D C 1.115 177.393 176.300 -0.036 0.000 1.138 811 D CA 1.627 55.602 54.000 -0.041 0.000 0.676 811 D CB -0.734 40.042 40.800 -0.040 0.000 1.069 811 D HN 1.119 nan 8.370 nan 0.000 0.430 812 G N -0.216 108.563 108.800 -0.034 0.000 2.245 812 G HA2 -0.380 3.578 3.960 -0.004 0.000 0.264 812 G HA3 -0.380 3.578 3.960 -0.004 0.000 0.264 812 G C 0.142 175.026 174.900 -0.028 0.000 0.985 812 G CA 0.762 45.846 45.100 -0.028 0.000 0.625 812 G HN 0.795 nan 8.290 nan 0.000 0.536 813 E N 1.143 121.322 120.200 -0.036 0.000 2.227 813 E HA 0.531 4.878 4.350 -0.004 0.000 0.282 813 E C -0.052 176.525 176.600 -0.038 0.000 1.015 813 E CA -0.272 56.105 56.400 -0.037 0.000 0.823 813 E CB 0.575 30.247 29.700 -0.046 0.000 1.081 813 E HN 0.070 nan 8.360 nan 0.000 0.396 814 T N 3.295 117.832 114.554 -0.028 0.000 2.884 814 T HA 0.285 4.632 4.350 -0.004 0.000 0.298 814 T C -0.404 174.283 174.700 -0.023 0.000 0.998 814 T CA -0.409 61.681 62.100 -0.017 0.000 1.124 814 T CB 0.721 69.581 68.868 -0.013 0.000 0.931 814 T HN 0.405 nan 8.240 nan 0.000 0.531 815 V N 0.694 120.607 119.914 -0.002 0.000 2.735 815 V HA 1.077 5.194 4.120 -0.004 0.000 0.310 815 V C 0.236 176.391 176.094 0.102 0.000 1.061 815 V CA -0.208 62.111 62.300 0.031 0.000 0.913 815 V CB 1.378 33.174 31.823 -0.044 0.000 1.005 815 V HN 1.115 nan 8.190 nan 0.000 0.428 816 G N 1.889 110.744 108.800 0.091 0.000 2.455 816 G HA2 0.531 4.488 3.960 -0.004 0.000 0.223 816 G HA3 0.531 4.488 3.960 -0.004 0.000 0.223 816 G C 0.655 175.379 174.900 -0.294 0.000 1.226 816 G CA -0.008 44.982 45.100 -0.183 0.000 0.948 816 G HN 1.610 nan 8.290 nan 0.000 0.478 817 A N -0.533 122.101 122.820 -0.310 0.000 2.093 817 A HA 0.219 4.537 4.320 -0.004 0.000 0.222 817 A C 2.281 179.781 177.584 -0.141 0.000 1.162 817 A CA 3.091 54.990 52.037 -0.230 0.000 0.655 817 A CB -0.760 18.125 19.000 -0.192 0.000 0.805 817 A HN 1.944 nan 8.150 nan 0.000 0.461 818 G N -2.298 106.435 108.800 -0.112 0.000 2.727 818 G HA2 0.286 4.243 3.960 -0.004 0.000 0.203 818 G HA3 0.286 4.243 3.960 -0.004 0.000 0.203 818 G C 0.647 175.526 174.900 -0.035 0.000 1.117 818 G CA 0.755 45.815 45.100 -0.066 0.000 0.817 818 G HN 0.418 nan 8.290 nan 0.000 0.553 819 S N 1.407 117.094 115.700 -0.022 0.000 2.422 819 S HA 0.318 4.786 4.470 -0.004 0.000 0.298 819 S C -0.226 174.408 174.600 0.057 0.000 1.118 819 S CA -0.757 57.441 58.200 -0.003 0.000 1.083 819 S CB 0.477 63.663 63.200 -0.024 0.000 0.971 819 S HN 0.296 nan 8.310 nan 0.000 0.478 820 N N 5.163 123.875 118.700 0.020 0.000 2.423 820 N HA -0.016 4.721 4.740 -0.004 0.000 0.275 820 N C 1.188 176.612 175.510 -0.143 0.000 1.283 820 N CA 0.220 53.293 53.050 0.039 0.000 0.932 820 N CB 0.097 38.583 38.487 -0.003 0.000 1.185 820 N HN 0.809 nan 8.380 nan 0.000 0.483 821 I N 4.688 125.052 120.570 -0.343 0.000 2.264 821 I HA -0.319 3.849 4.170 -0.004 0.000 0.248 821 I C 0.836 176.571 176.117 -0.636 0.000 1.111 821 I CA 1.337 62.195 61.300 -0.737 0.000 1.382 821 I CB 0.035 37.071 38.000 -1.606 0.000 1.060 821 I HN 0.524 nan 8.210 nan 0.000 0.418 822 Y N 0.593 120.722 120.300 -0.284 0.000 2.114 822 Y HA -0.273 4.274 4.550 -0.005 0.000 0.284 822 Y C 2.768 178.426 175.900 -0.402 0.000 1.143 822 Y CA 1.944 59.927 58.100 -0.195 0.000 1.135 822 Y CB -0.906 37.523 38.460 -0.051 0.000 0.980 822 Y HN 0.115 nan 8.280 nan 0.000 0.499 823 R N 0.374 120.497 120.500 -0.627 0.000 2.083 823 R HA -0.161 4.176 4.340 -0.004 0.000 0.237 823 R C 2.067 178.092 176.300 -0.459 0.000 1.137 823 R CA 1.916 57.349 56.100 -1.111 0.000 0.951 823 R CB -0.681 28.922 30.300 -1.163 0.000 0.851 823 R HN 0.208 nan 8.270 nan 0.000 0.434 824 V N 1.554 121.272 119.914 -0.327 0.000 2.231 824 V HA -0.302 3.816 4.120 -0.004 0.000 0.248 824 V C 2.478 178.473 176.094 -0.165 0.000 1.054 824 V CA 2.109 64.281 62.300 -0.213 0.000 1.015 824 V CB -0.512 31.188 31.823 -0.206 0.000 0.638 824 V HN 0.366 nan 8.190 nan 0.000 0.444 825 L N 0.036 121.153 121.223 -0.177 0.000 2.043 825 L HA -0.229 4.108 4.340 -0.004 0.000 0.212 825 L C 2.746 179.595 176.870 -0.034 0.000 1.075 825 L CA 1.990 56.774 54.840 -0.093 0.000 0.752 825 L CB -0.674 41.345 42.059 -0.066 0.000 0.891 825 L HN 0.434 nan 8.230 nan 0.000 0.432 826 S N -0.176 115.504 115.700 -0.033 0.000 2.383 826 S HA -0.231 4.236 4.470 -0.004 0.000 0.229 826 S C 1.693 176.314 174.600 0.034 0.000 1.030 826 S CA 1.582 59.810 58.200 0.046 0.000 1.002 826 S CB -0.200 63.073 63.200 0.121 0.000 0.829 826 S HN 0.490 nan 8.310 nan 0.000 0.467 827 E N -0.258 119.933 120.200 -0.016 0.000 2.511 827 E HA 0.029 4.377 4.350 -0.004 0.000 0.196 827 E C 1.291 177.887 176.600 -0.007 0.000 1.066 827 E CA 0.415 56.812 56.400 -0.005 0.000 0.871 827 E CB 0.214 29.894 29.700 -0.032 0.000 0.863 827 E HN 0.342 nan 8.360 nan 0.000 0.520 828 K N -0.210 120.184 120.400 -0.010 0.000 2.402 828 K HA 0.231 4.548 4.320 -0.004 0.000 0.204 828 K C 0.284 176.889 176.600 0.007 0.000 1.056 828 K CA -0.068 56.214 56.287 -0.007 0.000 1.069 828 K CB 0.853 33.340 32.500 -0.021 0.000 0.888 828 K HN -0.035 nan 8.250 nan 0.000 0.546 829 A N 1.160 123.992 122.820 0.019 0.000 2.580 829 A HA 0.316 4.633 4.320 -0.004 0.000 0.244 829 A C 1.242 178.840 177.584 0.024 0.000 1.045 829 A CA 1.455 53.509 52.037 0.029 0.000 0.761 829 A CB -0.615 18.412 19.000 0.044 0.000 0.962 829 A HN 0.588 nan 8.150 nan 0.000 0.512 830 G N 1.641 110.455 108.800 0.023 0.000 2.141 830 G HA2 0.001 3.958 3.960 -0.004 0.000 0.231 830 G HA3 0.001 3.958 3.960 -0.004 0.000 0.231 830 G C 0.395 175.305 174.900 0.017 0.000 0.984 830 G CA 0.839 45.951 45.100 0.020 0.000 0.660 830 G HN 2.568 nan 8.290 nan 0.000 0.525 831 T N -2.899 111.665 114.554 0.017 0.000 2.754 831 T HA 0.750 5.098 4.350 -0.004 0.000 0.296 831 T C -0.439 174.272 174.700 0.018 0.000 1.205 831 T CA 0.165 62.274 62.100 0.015 0.000 1.009 831 T CB 1.945 70.818 68.868 0.009 0.000 1.368 831 T HN 0.625 nan 8.240 nan 0.000 0.509 832 S N 0.330 116.042 115.700 0.019 0.000 2.451 832 S HA 0.799 5.266 4.470 -0.004 0.000 0.301 832 S C -0.262 174.344 174.600 0.009 0.000 1.116 832 S CA -0.670 57.544 58.200 0.024 0.000 1.093 832 S CB 0.921 64.145 63.200 0.039 0.000 1.017 832 S HN 1.087 nan 8.310 nan 0.000 0.482 833 A N 2.712 125.531 122.820 -0.001 0.000 2.380 833 A HA 0.731 5.048 4.320 -0.004 0.000 0.315 833 A C -0.211 177.353 177.584 -0.033 0.000 1.101 833 A CA -0.924 51.102 52.037 -0.018 0.000 0.771 833 A CB 0.938 19.921 19.000 -0.028 0.000 1.287 833 A HN 0.810 nan 8.150 nan 0.000 0.436 834 R N 1.336 121.812 120.500 -0.040 0.000 2.347 834 R HA 0.481 4.818 4.340 -0.004 0.000 0.304 834 R C -1.279 174.980 176.300 -0.069 0.000 1.072 834 R CA 0.147 56.212 56.100 -0.057 0.000 0.980 834 R CB 0.069 30.341 30.300 -0.046 0.000 0.986 834 R HN 0.604 nan 8.270 nan 0.000 0.448 835 I N 4.692 125.207 120.570 -0.092 0.000 2.439 835 I HA 0.271 4.438 4.170 -0.004 0.000 0.285 835 I C -0.358 175.706 176.117 -0.089 0.000 1.021 835 I CA -1.121 60.126 61.300 -0.089 0.000 1.091 835 I CB 1.779 39.723 38.000 -0.094 0.000 1.242 835 I HN 0.512 nan 8.210 nan 0.000 0.439 836 R N 6.786 127.249 120.500 -0.062 0.000 2.234 836 R HA 0.605 4.943 4.340 -0.004 0.000 0.324 836 R C -1.439 174.846 176.300 -0.025 0.000 1.054 836 R CA 0.126 56.199 56.100 -0.044 0.000 0.912 836 R CB 0.379 30.661 30.300 -0.029 0.000 1.030 836 R HN 0.577 nan 8.270 nan 0.000 0.455 837 L N 2.321 123.541 121.223 -0.005 0.000 2.319 837 L HA 0.590 4.927 4.340 -0.004 0.000 0.267 837 L C -0.458 176.489 176.870 0.128 0.000 1.011 837 L CA -0.895 53.988 54.840 0.072 0.000 0.818 837 L CB 2.513 44.608 42.059 0.061 0.000 1.316 837 L HN 0.620 nan 8.230 nan 0.000 0.432 838 S N 0.143 115.941 115.700 0.162 0.000 2.779 838 S HA 0.592 5.060 4.470 -0.004 0.000 0.293 838 S C 0.045 174.513 174.600 -0.220 0.000 1.150 838 S CA -0.634 57.570 58.200 0.006 0.000 1.057 838 S CB 1.742 64.888 63.200 -0.090 0.000 1.021 838 S HN 0.827 nan 8.310 nan 0.000 0.485 839 G N 1.593 110.058 108.800 -0.558 0.000 2.641 839 G HA2 0.566 4.523 3.960 -0.004 0.000 0.239 839 G HA3 0.566 4.523 3.960 -0.004 0.000 0.239 839 G C -0.351 174.240 174.900 -0.515 0.000 1.402 839 G CA -0.625 43.759 45.100 -1.193 0.000 1.046 839 G HN 0.485 nan 8.290 nan 0.000 0.565 840 K N -0.089 120.057 120.400 -0.424 0.000 2.401 840 K HA 0.476 4.793 4.320 -0.004 0.000 0.278 840 K C 1.004 177.512 176.600 -0.153 0.000 1.018 840 K CA 1.434 57.592 56.287 -0.216 0.000 0.981 840 K CB 0.210 32.620 32.500 -0.150 0.000 0.933 840 K HN 1.415 nan 8.250 nan 0.000 0.477 841 G N 2.945 111.680 108.800 -0.108 0.000 2.514 841 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.265 841 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.265 841 G C 0.506 175.360 174.900 -0.075 0.000 1.150 841 G CA -0.067 44.988 45.100 -0.075 0.000 0.959 841 G HN 1.032 nan 8.290 nan 0.000 0.556 842 G N -0.025 108.742 108.800 -0.056 0.000 3.707 842 G HA2 0.424 4.382 3.960 -0.004 0.000 0.286 842 G HA3 0.424 4.382 3.960 -0.004 0.000 0.286 842 G C 0.064 174.942 174.900 -0.036 0.000 1.112 842 G CA 0.997 46.070 45.100 -0.045 0.000 0.861 842 G HN 0.671 nan 8.290 nan 0.000 0.534 843 D N 1.806 122.174 120.400 -0.053 0.000 2.357 843 D HA 0.116 4.753 4.640 -0.004 0.000 0.265 843 D C 0.041 176.355 176.300 0.024 0.000 1.334 843 D CA 0.327 54.320 54.000 -0.012 0.000 0.984 843 D CB 0.412 41.187 40.800 -0.042 0.000 1.077 843 D HN -0.009 nan 8.370 nan 0.000 0.514 844 K N 3.973 124.392 120.400 0.032 0.000 2.235 844 K HA 0.431 4.749 4.320 -0.004 0.000 0.266 844 K C 0.226 176.851 176.600 0.042 0.000 0.980 844 K CA -0.730 55.577 56.287 0.033 0.000 0.849 844 K CB 1.876 34.377 32.500 0.003 0.000 1.098 844 K HN 0.267 nan 8.250 nan 0.000 0.445 845 R N 1.385 121.910 120.500 0.042 0.000 2.740 845 R HA 0.365 4.702 4.340 -0.004 0.000 0.282 845 R C -0.900 175.365 176.300 -0.060 0.000 0.969 845 R CA -0.784 55.307 56.100 -0.014 0.000 0.918 845 R CB 1.579 31.856 30.300 -0.039 0.000 1.175 845 R HN 0.523 nan 8.270 nan 0.000 0.464 846 D N 3.292 123.633 120.400 -0.098 0.000 2.358 846 D HA 0.331 4.968 4.640 -0.004 0.000 0.253 846 D C -0.979 175.205 176.300 -0.193 0.000 1.288 846 D CA -0.309 53.624 54.000 -0.113 0.000 0.950 846 D CB 0.496 41.256 40.800 -0.067 0.000 1.197 846 D HN 0.384 nan 8.370 nan 0.000 0.550 847 L N 0.860 121.913 121.223 -0.283 0.000 2.323 847 L HA 0.604 4.941 4.340 -0.004 0.000 0.265 847 L C 0.355 177.037 176.870 -0.314 0.000 1.012 847 L CA -1.048 53.491 54.840 -0.502 0.000 0.820 847 L CB 2.065 43.573 42.059 -0.919 0.000 1.334 847 L HN 0.074 nan 8.230 nan 0.000 0.427 848 M N 3.424 122.880 119.600 -0.240 0.000 2.589 848 M HA 0.358 4.836 4.480 -0.004 0.000 0.340 848 M C -0.585 175.747 176.300 0.054 0.000 1.308 848 M CA -0.431 54.850 55.300 -0.033 0.000 1.332 848 M CB 0.186 32.822 32.600 0.060 0.000 1.219 848 M HN 0.340 nan 8.290 nan 0.000 0.467 849 I N 1.795 122.365 120.570 0.001 0.000 2.519 849 I HA 0.163 4.330 4.170 -0.004 0.000 0.287 849 I C 0.396 176.553 176.117 0.067 0.000 1.047 849 I CA -0.397 60.942 61.300 0.065 0.000 1.381 849 I CB 0.623 38.629 38.000 0.009 0.000 1.417 849 I HN 0.369 nan 8.210 nan 0.000 0.540 850 D N 5.418 125.871 120.400 0.089 0.000 2.317 850 D HA 0.246 4.884 4.640 -0.004 0.000 0.252 850 D C 0.078 176.408 176.300 0.050 0.000 1.174 850 D CA -0.140 53.898 54.000 0.063 0.000 0.866 850 D CB 1.082 41.922 40.800 0.066 0.000 1.127 850 D HN 0.094 nan 8.370 nan 0.000 0.467 851 I N 3.933 124.524 120.570 0.036 0.000 2.291 851 I HA 0.134 4.301 4.170 -0.004 0.000 0.292 851 I C 0.586 176.724 176.117 0.035 0.000 1.064 851 I CA -0.418 60.902 61.300 0.033 0.000 1.269 851 I CB -0.153 37.860 38.000 0.021 0.000 1.418 851 I HN 0.158 nan 8.210 nan 0.000 0.485 852 L N 5.190 126.436 121.223 0.038 0.000 2.452 852 L HA 0.189 4.526 4.340 -0.004 0.000 0.267 852 L C 1.401 178.290 176.870 0.032 0.000 1.188 852 L CA -0.227 54.633 54.840 0.033 0.000 0.821 852 L CB 0.811 42.888 42.059 0.031 0.000 1.102 852 L HN 0.510 nan 8.230 nan 0.000 0.470 853 D N 0.069 120.485 120.400 0.027 0.000 2.289 853 D HA -0.031 4.606 4.640 -0.004 0.000 0.207 853 D C -0.115 176.198 176.300 0.022 0.000 0.966 853 D CA 1.067 55.084 54.000 0.029 0.000 0.868 853 D CB 0.526 41.341 40.800 0.025 0.000 0.943 853 D HN 0.606 nan 8.370 nan 0.000 0.514 854 D N -0.652 119.755 120.400 0.011 0.000 2.717 854 D HA 0.057 4.694 4.640 -0.004 0.000 0.223 854 D C -1.450 174.840 176.300 -0.015 0.000 1.240 854 D CA -0.602 53.394 54.000 -0.007 0.000 0.801 854 D CB 1.484 42.277 40.800 -0.010 0.000 1.556 854 D HN -0.185 nan 8.370 nan 0.000 0.462 855 D N 1.849 122.218 120.400 -0.053 0.000 2.692 855 D HA 0.098 4.736 4.640 -0.004 0.000 0.290 855 D C 1.149 177.371 176.300 -0.129 0.000 1.455 855 D CA -0.345 53.612 54.000 -0.071 0.000 0.796 855 D CB 0.208 40.949 40.800 -0.097 0.000 1.131 855 D HN 0.279 nan 8.370 nan 0.000 0.467 856 R N 0.067 120.504 120.500 -0.105 0.000 2.070 856 R HA -0.041 4.296 4.340 -0.004 0.000 0.233 856 R C 1.563 177.810 176.300 -0.090 0.000 1.137 856 R CA 1.316 57.327 56.100 -0.148 0.000 0.945 856 R CB -0.998 29.224 30.300 -0.130 0.000 0.845 856 R HN 0.151 nan 8.270 nan 0.000 0.430 857 F N 0.858 120.737 119.950 -0.117 0.000 2.126 857 F HA -0.119 4.403 4.527 -0.008 0.000 0.299 857 F C 1.804 177.595 175.800 -0.016 0.000 1.096 857 F CA 1.657 59.631 58.000 -0.042 0.000 1.255 857 F CB -0.268 38.706 39.000 -0.043 0.000 0.997 857 F HN 0.052 nan 8.300 nan 0.000 0.479 858 I N -0.031 120.484 120.570 -0.092 0.000 2.127 858 I HA -0.341 3.826 4.170 -0.004 0.000 0.241 858 I C 2.550 178.534 176.117 -0.221 0.000 1.075 858 I CA 1.575 62.774 61.300 -0.168 0.000 1.334 858 I CB -0.615 37.350 38.000 -0.057 0.000 1.040 858 I HN 0.043 nan 8.210 nan 0.000 0.405 859 R N -0.202 120.132 120.500 -0.276 0.000 2.096 859 R HA -0.256 4.081 4.340 -0.004 0.000 0.240 859 R C 2.420 178.588 176.300 -0.219 0.000 1.139 859 R CA 2.137 58.038 56.100 -0.331 0.000 0.952 859 R CB -0.755 29.228 30.300 -0.528 0.000 0.854 859 R HN 0.355 nan 8.270 nan 0.000 0.436 860 Y N 1.619 121.672 120.300 -0.412 0.000 2.070 860 Y HA -0.255 4.292 4.550 -0.006 0.000 0.280 860 Y C 2.282 178.025 175.900 -0.262 0.000 1.148 860 Y CA 1.545 59.374 58.100 -0.452 0.000 1.125 860 Y CB -0.091 38.047 38.460 -0.536 0.000 0.975 860 Y HN -0.147 nan 8.280 nan 0.000 0.492 861 R N -0.049 120.066 120.500 -0.641 0.000 2.105 861 R HA -0.166 4.171 4.340 -0.004 0.000 0.239 861 R C 2.682 178.768 176.300 -0.357 0.000 1.135 861 R CA 1.261 57.010 56.100 -0.585 0.000 0.967 861 R CB -1.333 28.611 30.300 -0.593 0.000 0.861 861 R HN 0.422 nan 8.270 nan 0.000 0.442 862 S N 0.009 115.567 115.700 -0.237 0.000 2.359 862 S HA -0.191 4.276 4.470 -0.004 0.000 0.224 862 S C 1.694 176.239 174.600 -0.091 0.000 1.035 862 S CA 1.367 59.494 58.200 -0.121 0.000 1.018 862 S CB -0.317 62.927 63.200 0.074 0.000 0.876 862 S HN 0.557 nan 8.310 nan 0.000 0.448 863 W N 1.718 122.863 121.300 -0.259 0.000 2.335 863 W HA -0.128 4.528 4.660 -0.006 0.000 0.311 863 W C 1.986 178.354 176.519 -0.252 0.000 1.213 863 W CA 1.678 58.884 57.345 -0.232 0.000 1.274 863 W CB -0.713 28.597 29.460 -0.251 0.000 1.148 863 W HN 0.111 nan 8.180 nan 0.000 0.498 864 V N 1.124 120.896 119.914 -0.237 0.000 2.261 864 V HA -0.298 3.819 4.120 -0.004 0.000 0.246 864 V C 2.435 178.374 176.094 -0.258 0.000 1.047 864 V CA 2.343 64.469 62.300 -0.289 0.000 1.015 864 V CB -0.981 30.695 31.823 -0.245 0.000 0.642 864 V HN 0.098 nan 8.190 nan 0.000 0.446 865 E N 0.197 120.261 120.200 -0.228 0.000 2.209 865 E HA -0.189 4.158 4.350 -0.004 0.000 0.196 865 E C 2.265 178.727 176.600 -0.229 0.000 0.993 865 E CA 1.435 57.720 56.400 -0.191 0.000 0.819 865 E CB -0.499 29.093 29.700 -0.179 0.000 0.745 865 E HN 0.598 nan 8.360 nan 0.000 0.477 866 A N 1.757 124.410 122.820 -0.278 0.000 1.855 866 A HA -0.192 4.125 4.320 -0.004 0.000 0.215 866 A C 1.975 179.337 177.584 -0.370 0.000 1.191 866 A CA 1.578 53.445 52.037 -0.283 0.000 0.613 866 A CB -0.821 18.010 19.000 -0.281 0.000 0.829 866 A HN 0.299 nan 8.150 nan 0.000 0.442 867 N N -0.923 117.419 118.700 -0.598 0.000 2.149 867 N HA -0.205 4.532 4.740 -0.004 0.000 0.188 867 N C 2.066 177.135 175.510 -0.736 0.000 1.019 867 N CA 1.168 53.752 53.050 -0.777 0.000 0.857 867 N CB -0.186 37.538 38.487 -1.273 0.000 0.997 867 N HN 0.502 nan 8.380 nan 0.000 0.426 868 R N 1.693 121.874 120.500 -0.533 0.000 2.070 868 R HA -0.060 4.277 4.340 -0.004 0.000 0.233 868 R C 2.232 178.193 176.300 -0.565 0.000 1.137 868 R CA 1.273 57.099 56.100 -0.456 0.000 0.945 868 R CB 0.029 30.187 30.300 -0.237 0.000 0.845 868 R HN 0.191 nan 8.270 nan 0.000 0.430 869 R N -0.897 119.411 120.500 -0.320 0.000 2.073 869 R HA -0.207 4.130 4.340 -0.004 0.000 0.234 869 R C 2.294 178.511 176.300 -0.139 0.000 1.134 869 R CA 1.869 57.867 56.100 -0.171 0.000 0.952 869 R CB -0.653 29.599 30.300 -0.080 0.000 0.850 869 R HN 0.307 nan 8.270 nan 0.000 0.433 870 Y N 1.435 121.564 120.300 -0.284 0.000 2.081 870 Y HA -0.284 4.263 4.550 -0.005 0.000 0.280 870 Y C 2.167 177.928 175.900 -0.231 0.000 1.163 870 Y CA 1.554 59.508 58.100 -0.243 0.000 1.135 870 Y CB -0.483 37.802 38.460 -0.291 0.000 0.970 870 Y HN -0.223 nan 8.280 nan 0.000 0.498 871 V N 0.065 119.769 119.914 -0.350 0.000 2.343 871 V HA -0.341 3.776 4.120 -0.004 0.000 0.247 871 V C 2.384 178.339 176.094 -0.231 0.000 1.051 871 V CA 2.280 64.369 62.300 -0.351 0.000 1.036 871 V CB -0.854 30.775 31.823 -0.324 0.000 0.654 871 V HN 0.476 nan 8.190 nan 0.000 0.451 872 H N 0.643 119.567 119.070 -0.243 0.000 2.293 872 H HA -0.128 4.425 4.556 -0.006 0.000 0.300 872 H C 2.394 177.619 175.328 -0.172 0.000 1.082 872 H CA 1.914 57.840 56.048 -0.204 0.000 1.308 872 H CB -0.385 29.294 29.762 -0.138 0.000 1.375 872 H HN 0.566 nan 8.280 nan 0.000 0.495 873 E N 0.310 120.481 120.200 -0.049 0.000 2.051 873 E HA -0.162 4.186 4.350 -0.004 0.000 0.192 873 E C 2.411 178.911 176.600 -0.167 0.000 0.991 873 E CA 0.860 57.201 56.400 -0.097 0.000 0.799 873 E CB -0.015 29.626 29.700 -0.099 0.000 0.748 873 E HN 0.263 nan 8.360 nan 0.000 0.449 874 R N 0.909 121.222 120.500 -0.313 0.000 2.115 874 R HA -0.082 4.255 4.340 -0.004 0.000 0.230 874 R C 1.975 178.156 176.300 -0.198 0.000 1.111 874 R CA 1.538 57.445 56.100 -0.321 0.000 0.976 874 R CB -0.032 29.925 30.300 -0.571 0.000 0.870 874 R HN 0.171 nan 8.270 nan 0.000 0.445 875 S N 0.201 115.801 115.700 -0.166 0.000 2.671 875 S HA 0.113 4.580 4.470 -0.004 0.000 0.220 875 S C 0.104 174.670 174.600 -0.057 0.000 0.951 875 S CA -0.222 57.919 58.200 -0.099 0.000 0.932 875 S CB 0.302 63.453 63.200 -0.082 0.000 0.777 875 S HN 0.187 nan 8.310 nan 0.000 0.508 876 K N 0.631 120.994 120.400 -0.062 0.000 3.071 876 K HA -0.174 4.143 4.320 -0.004 0.000 0.265 876 K C 0.842 177.437 176.600 -0.009 0.000 1.060 876 K CA 0.699 56.965 56.287 -0.035 0.000 0.767 876 K CB -2.502 29.980 32.500 -0.030 0.000 1.241 876 K HN 1.299 nan 8.250 nan 0.000 0.486 877 G N -0.314 108.485 108.800 -0.002 0.000 2.221 877 G HA2 -0.367 3.590 3.960 -0.004 0.000 0.265 877 G HA3 -0.367 3.590 3.960 -0.004 0.000 0.265 877 G C 0.541 175.522 174.900 0.136 0.000 1.041 877 G CA 1.474 46.597 45.100 0.039 0.000 0.807 877 G HN 0.759 nan 8.290 nan 0.000 0.502 878 T N -2.705 111.904 114.554 0.091 0.000 3.040 878 T HA 0.636 4.983 4.350 -0.004 0.000 0.266 878 T C 0.647 175.431 174.700 0.141 0.000 1.005 878 T CA 0.255 62.442 62.100 0.145 0.000 0.906 878 T CB 0.498 69.404 68.868 0.064 0.000 1.082 878 T HN 0.520 nan 8.240 nan 0.000 0.531 879 I N 1.319 121.884 120.570 -0.008 0.000 2.582 879 I HA 0.642 4.810 4.170 -0.004 0.000 0.292 879 I C 0.472 176.371 176.117 -0.363 0.000 1.066 879 I CA -1.425 59.826 61.300 -0.082 0.000 1.053 879 I CB 2.241 40.217 38.000 -0.039 0.000 1.241 879 I HN 0.208 nan 8.210 nan 0.000 0.421 880 G N 3.533 112.157 108.800 -0.294 0.000 2.488 880 G HA2 0.518 4.475 3.960 -0.004 0.000 0.318 880 G HA3 0.518 4.475 3.960 -0.004 0.000 0.318 880 G C -1.972 172.918 174.900 -0.017 0.000 1.188 880 G CA -0.177 44.742 45.100 -0.302 0.000 0.944 880 G HN 0.504 nan 8.290 nan 0.000 0.495 881 Y N -0.456 119.749 120.300 -0.158 0.000 2.504 881 Y HA 0.707 5.253 4.550 -0.006 0.000 0.344 881 Y C -0.878 174.987 175.900 -0.058 0.000 1.023 881 Y CA -1.168 56.861 58.100 -0.118 0.000 1.020 881 Y CB 1.699 40.029 38.460 -0.216 0.000 1.282 881 Y HN 0.464 nan 8.280 nan 0.000 0.454 882 I N 5.305 125.399 120.570 -0.794 0.000 2.913 882 I HA 0.324 4.491 4.170 -0.004 0.000 0.302 882 I C -1.623 174.108 176.117 -0.643 0.000 1.246 882 I CA -0.907 60.075 61.300 -0.530 0.000 1.010 882 I CB 2.671 40.522 38.000 -0.248 0.000 1.259 882 I HN 0.651 nan 8.210 nan 0.000 0.434 883 H N 5.821 124.691 119.070 -0.334 0.000 2.759 883 H HA 0.523 5.076 4.556 -0.005 0.000 0.354 883 H C -1.808 173.607 175.328 0.145 0.000 1.074 883 H CA -0.540 55.471 56.048 -0.061 0.000 1.226 883 H CB 2.098 31.976 29.762 0.193 0.000 1.648 883 H HN 0.464 nan 8.280 nan 0.000 0.529 884 I N 8.296 128.545 120.570 -0.536 0.000 2.337 884 I HA 0.188 4.355 4.170 -0.004 0.000 0.285 884 I C -1.518 174.402 176.117 -0.329 0.000 1.041 884 I CA -2.000 59.124 61.300 -0.295 0.000 1.199 884 I CB 1.792 39.594 38.000 -0.329 0.000 1.370 884 I HN 0.429 nan 8.210 nan 0.000 0.470 885 P HA -0.126 nan 4.420 nan 0.000 0.218 885 P C -0.215 177.128 177.300 0.073 0.000 1.149 885 P CA 1.564 64.794 63.100 0.217 0.000 0.817 885 P CB 0.183 31.890 31.700 0.012 0.000 0.785 886 D N -2.838 117.566 120.400 0.006 0.000 2.851 886 D HA 0.154 4.791 4.640 -0.004 0.000 0.339 886 D C -0.188 176.075 176.300 -0.061 0.000 1.347 886 D CA -0.585 53.417 54.000 0.003 0.000 0.888 886 D CB -0.248 40.601 40.800 0.081 0.000 1.431 886 D HN -0.316 nan 8.370 nan 0.000 0.509 887 M N 0.694 120.261 119.600 -0.055 0.000 2.869 887 M HA 0.488 4.965 4.480 -0.004 0.000 0.338 887 M C 0.420 176.561 176.300 -0.266 0.000 1.227 887 M CA -0.261 54.942 55.300 -0.163 0.000 0.946 887 M CB 0.083 32.603 32.600 -0.134 0.000 1.299 887 M HN 0.597 nan 8.290 nan 0.000 0.518 888 G N -0.006 108.673 108.800 -0.201 0.000 3.135 888 G HA2 0.490 4.447 3.960 -0.004 0.000 0.159 888 G HA3 0.490 4.447 3.960 -0.004 0.000 0.159 888 G C 0.829 175.422 174.900 -0.511 0.000 1.244 888 G CA -0.295 44.501 45.100 -0.506 0.000 0.965 888 G HN 0.116 nan 8.290 nan 0.000 0.599 889 M N -0.095 119.100 119.600 -0.675 0.000 2.175 889 M HA 0.041 4.519 4.480 -0.004 0.000 0.264 889 M C 2.413 178.790 176.300 0.128 0.000 1.063 889 M CA 1.211 56.370 55.300 -0.235 0.000 1.119 889 M CB -1.136 31.354 32.600 -0.184 0.000 1.377 889 M HN 0.587 nan 8.290 nan 0.000 0.415 890 M N 0.028 119.810 119.600 0.303 0.000 2.175 890 M HA -0.088 4.389 4.480 -0.004 0.000 0.264 890 M C 1.982 178.394 176.300 0.186 0.000 1.063 890 M CA 1.911 57.395 55.300 0.307 0.000 1.119 890 M CB -0.483 32.225 32.600 0.180 0.000 1.377 890 M HN 0.286 nan 8.290 nan 0.000 0.415 891 G N 0.855 109.708 108.800 0.089 0.000 2.446 891 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.217 891 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.217 891 G C 1.263 176.193 174.900 0.050 0.000 1.168 891 G CA 0.712 45.828 45.100 0.028 0.000 0.771 891 G HN 0.372 nan 8.290 nan 0.000 0.551 892 L N 1.300 122.534 121.223 0.018 0.000 2.012 892 L HA -0.086 4.251 4.340 -0.004 0.000 0.210 892 L C 2.592 179.619 176.870 0.261 0.000 1.073 892 L CA 1.491 56.396 54.840 0.109 0.000 0.748 892 L CB -0.796 41.306 42.059 0.071 0.000 0.891 892 L HN 0.168 nan 8.230 nan 0.000 0.431 893 N N -0.481 118.356 118.700 0.228 0.000 2.058 893 N HA -0.172 4.566 4.740 -0.004 0.000 0.191 893 N C 1.675 177.340 175.510 0.258 0.000 1.037 893 N CA 1.343 54.542 53.050 0.248 0.000 0.848 893 N CB -0.239 38.385 38.487 0.228 0.000 1.021 893 N HN 0.347 nan 8.380 nan 0.000 0.422 894 E N 0.441 120.800 120.200 0.264 0.000 2.106 894 E HA -0.116 4.231 4.350 -0.004 0.000 0.192 894 E C 1.840 178.546 176.600 0.177 0.000 0.984 894 E CA 0.340 56.904 56.400 0.273 0.000 0.806 894 E CB -0.594 29.331 29.700 0.375 0.000 0.750 894 E HN 0.397 nan 8.360 nan 0.000 0.458 895 F N 0.579 120.523 119.950 -0.009 0.000 2.084 895 F HA -0.233 4.292 4.527 -0.004 0.000 0.296 895 F C 2.099 177.825 175.800 -0.123 0.000 1.111 895 F CA 1.479 59.380 58.000 -0.164 0.000 1.224 895 F CB -0.455 38.301 39.000 -0.406 0.000 0.991 895 F HN -0.048 nan 8.300 nan 0.000 0.471 896 Y N 0.066 120.449 120.300 0.137 0.000 2.352 896 Y HA -0.124 4.423 4.550 -0.005 0.000 0.292 896 Y C 2.623 178.556 175.900 0.055 0.000 1.136 896 Y CA 1.241 59.392 58.100 0.084 0.000 1.227 896 Y CB -0.517 38.046 38.460 0.171 0.000 0.991 896 Y HN 0.038 nan 8.280 nan 0.000 0.545 897 R N 0.022 120.634 120.500 0.186 0.000 2.127 897 R HA -0.199 4.139 4.340 -0.004 0.000 0.238 897 R C 1.181 177.528 176.300 0.078 0.000 1.134 897 R CA 1.635 57.818 56.100 0.137 0.000 0.975 897 R CB -0.172 30.217 30.300 0.149 0.000 0.865 897 R HN 0.292 nan 8.270 nan 0.000 0.447 898 L N -1.480 119.752 121.223 0.015 0.000 2.467 898 L HA 0.105 4.442 4.340 -0.004 0.000 0.213 898 L C 1.665 178.503 176.870 -0.054 0.000 1.053 898 L CA 0.568 55.397 54.840 -0.018 0.000 0.847 898 L CB -0.592 41.438 42.059 -0.048 0.000 1.075 898 L HN 0.063 nan 8.230 nan 0.000 0.479 899 F N 1.869 121.605 119.950 -0.357 0.000 2.147 899 F HA -0.277 4.246 4.527 -0.006 0.000 0.301 899 F C 2.229 177.966 175.800 -0.104 0.000 1.084 899 F CA 2.119 59.883 58.000 -0.394 0.000 1.268 899 F CB -0.249 38.250 39.000 -0.835 0.000 1.009 899 F HN 0.183 nan 8.300 nan 0.000 0.486 900 I N -1.936 118.615 120.570 -0.031 0.000 3.083 900 I HA -0.141 4.027 4.170 -0.004 0.000 0.273 900 I C 0.881 176.936 176.117 -0.104 0.000 1.297 900 I CA 1.342 62.598 61.300 -0.073 0.000 1.452 900 I CB -0.538 37.505 38.000 0.072 0.000 1.078 900 I HN 0.165 nan 8.210 nan 0.000 0.484 901 N N 0.433 119.090 118.700 -0.072 0.000 2.168 901 N HA 0.072 4.809 4.740 -0.004 0.000 0.216 901 N C 0.977 176.544 175.510 0.094 0.000 1.259 901 N CA 0.187 53.238 53.050 0.001 0.000 0.902 901 N CB 0.574 39.096 38.487 0.059 0.000 1.079 901 N HN 0.414 nan 8.380 nan 0.000 0.507 902 E N 0.149 120.385 120.200 0.060 0.000 2.511 902 E HA 0.109 4.456 4.350 -0.004 0.000 0.209 902 E C 1.379 178.079 176.600 0.165 0.000 0.986 902 E CA 0.193 56.736 56.400 0.239 0.000 0.974 902 E CB 0.413 30.181 29.700 0.113 0.000 1.030 902 E HN 0.218 nan 8.360 nan 0.000 0.490 903 S N 0.256 115.869 115.700 -0.145 0.000 2.447 903 S HA -0.008 4.459 4.470 -0.004 0.000 0.233 903 S C 1.694 176.257 174.600 -0.060 0.000 1.006 903 S CA 0.581 58.645 58.200 -0.227 0.000 0.957 903 S CB -0.063 62.641 63.200 -0.828 0.000 0.773 903 S HN -0.078 nan 8.310 nan 0.000 0.507 904 S N 0.900 116.563 115.700 -0.062 0.000 2.573 904 S HA 0.407 4.874 4.470 -0.004 0.000 0.244 904 S C -0.642 173.892 174.600 -0.111 0.000 0.984 904 S CA -0.646 57.507 58.200 -0.078 0.000 1.001 904 S CB -0.282 62.840 63.200 -0.131 0.000 0.788 904 S HN 0.510 nan 8.310 nan 0.000 0.456 905 Y N 1.710 122.004 120.300 -0.009 0.000 2.392 905 Y HA 0.240 4.787 4.550 -0.006 0.000 0.323 905 Y C 1.879 177.791 175.900 0.021 0.000 1.291 905 Y CA -0.654 57.447 58.100 0.002 0.000 1.345 905 Y CB 0.505 38.975 38.460 0.018 0.000 1.320 905 Y HN 0.024 nan 8.280 nan 0.000 0.518 906 Q N 0.592 120.514 119.800 0.202 0.000 2.135 906 Q HA -0.028 4.309 4.340 -0.004 0.000 0.204 906 Q C 0.437 176.513 176.000 0.125 0.000 0.981 906 Q CA 1.284 57.161 55.803 0.123 0.000 0.856 906 Q CB -0.049 28.744 28.738 0.092 0.000 0.902 906 Q HN 0.831 nan 8.270 nan 0.000 0.425 907 G N -0.304 108.584 108.800 0.147 0.000 2.605 907 G HA2 0.562 4.519 3.960 -0.004 0.000 0.296 907 G HA3 0.562 4.519 3.960 -0.004 0.000 0.296 907 G C -2.044 172.933 174.900 0.128 0.000 1.304 907 G CA -0.529 44.642 45.100 0.118 0.000 0.941 907 G HN 0.028 nan 8.290 nan 0.000 0.475 908 L N 0.108 121.408 121.223 0.128 0.000 2.455 908 L HA 0.713 5.050 4.340 -0.004 0.000 0.264 908 L C -1.208 175.743 176.870 0.134 0.000 0.968 908 L CA -0.735 54.183 54.840 0.131 0.000 0.827 908 L CB 1.958 44.117 42.059 0.166 0.000 1.317 908 L HN 0.472 nan 8.230 nan 0.000 0.407 909 I N 5.310 125.953 120.570 0.123 0.000 2.362 909 I HA 0.392 4.559 4.170 -0.004 0.000 0.289 909 I C -0.716 175.432 176.117 0.052 0.000 0.994 909 I CA -0.872 60.510 61.300 0.137 0.000 1.158 909 I CB 1.844 39.990 38.000 0.242 0.000 1.315 909 I HN 0.258 nan 8.210 nan 0.000 0.451 910 V N 5.338 125.276 119.914 0.040 0.000 2.288 910 V HA 0.141 4.259 4.120 -0.004 0.000 0.266 910 V C -0.112 175.948 176.094 -0.057 0.000 1.048 910 V CA -0.415 61.875 62.300 -0.017 0.000 0.842 910 V CB 1.073 32.940 31.823 0.074 0.000 1.064 910 V HN 0.602 nan 8.190 nan 0.000 0.472 911 D N 4.286 124.640 120.400 -0.077 0.000 2.316 911 D HA 0.218 4.855 4.640 -0.004 0.000 0.245 911 D C 0.584 176.849 176.300 -0.058 0.000 1.171 911 D CA -0.153 53.897 54.000 0.084 0.000 0.856 911 D CB 1.808 42.834 40.800 0.376 0.000 1.090 911 D HN 0.407 nan 8.370 nan 0.000 0.476 912 V N 1.812 121.677 119.914 -0.082 0.000 3.085 912 V HA 0.398 4.516 4.120 -0.004 0.000 0.345 912 V C 0.720 176.762 176.094 -0.087 0.000 1.397 912 V CA -0.713 61.455 62.300 -0.220 0.000 1.165 912 V CB -0.661 30.966 31.823 -0.327 0.000 1.153 912 V HN 0.257 nan 8.190 nan 0.000 0.495 913 R N 0.460 120.985 120.500 0.042 0.000 2.623 913 R HA 0.396 4.733 4.340 -0.004 0.000 0.271 913 R C 0.176 176.420 176.300 -0.093 0.000 1.043 913 R CA 0.417 56.448 56.100 -0.115 0.000 1.083 913 R CB -0.073 30.144 30.300 -0.138 0.000 0.974 913 R HN 0.476 nan 8.270 nan 0.000 0.436 914 F N -1.280 118.625 119.950 -0.075 0.000 2.953 914 F HA -0.322 4.203 4.527 -0.004 0.000 0.292 914 F C 0.622 176.379 175.800 -0.072 0.000 0.747 914 F CA 0.271 58.175 58.000 -0.159 0.000 1.222 914 F CB -1.294 37.275 39.000 -0.718 0.000 1.457 914 F HN 0.615 nan 8.300 nan 0.000 0.383 915 N N 1.913 120.651 118.700 0.063 0.000 2.406 915 N HA 0.149 4.886 4.740 -0.004 0.000 0.265 915 N C 1.213 176.742 175.510 0.032 0.000 1.203 915 N CA 0.956 54.019 53.050 0.021 0.000 0.945 915 N CB 1.169 39.609 38.487 -0.078 0.000 1.165 915 N HN 0.393 nan 8.380 nan 0.000 0.485 916 G N 2.185 111.009 108.800 0.039 0.000 2.882 916 G HA2 0.220 4.177 3.960 -0.004 0.000 0.206 916 G HA3 0.220 4.177 3.960 -0.004 0.000 0.206 916 G C 0.858 175.778 174.900 0.032 0.000 1.155 916 G CA 0.444 45.547 45.100 0.005 0.000 0.800 916 G HN 0.979 nan 8.290 nan 0.000 0.524 917 G N -1.575 107.256 108.800 0.053 0.000 2.632 917 G HA2 0.376 4.333 3.960 -0.004 0.000 0.224 917 G HA3 0.376 4.333 3.960 -0.004 0.000 0.224 917 G C 0.549 175.512 174.900 0.104 0.000 1.341 917 G CA 0.225 45.379 45.100 0.091 0.000 0.880 917 G HN 1.894 nan 8.290 nan 0.000 0.566 918 G N -2.899 105.990 108.800 0.148 0.000 2.152 918 G HA2 0.571 4.529 3.960 -0.004 0.000 0.058 918 G HA3 0.571 4.529 3.960 -0.004 0.000 0.058 918 G C 0.370 175.422 174.900 0.254 0.000 0.966 918 G CA 1.180 46.411 45.100 0.219 0.000 1.149 918 G HN 2.484 nan 8.290 nan 0.000 0.402 919 F N -0.751 119.202 119.950 0.005 0.000 3.206 919 F HA 0.410 4.935 4.527 -0.004 0.000 0.360 919 F C 0.999 176.770 175.800 -0.049 0.000 1.233 919 F CA 0.779 58.762 58.000 -0.028 0.000 0.936 919 F CB -0.366 38.610 39.000 -0.040 0.000 1.571 919 F HN 0.886 nan 8.300 nan 0.000 0.499 920 V N -1.017 118.551 119.914 -0.576 0.000 3.444 920 V HA 0.213 4.330 4.120 -0.004 0.000 0.308 920 V C 2.025 177.989 176.094 -0.216 0.000 1.371 920 V CA 0.718 62.756 62.300 -0.436 0.000 1.141 920 V CB -0.697 30.790 31.823 -0.561 0.000 1.037 920 V HN 0.421 nan 8.190 nan 0.000 0.433 921 S N 2.175 117.810 115.700 -0.108 0.000 2.374 921 S HA -0.379 4.088 4.470 -0.004 0.000 0.227 921 S C 1.969 176.598 174.600 0.050 0.000 1.037 921 S CA 1.972 60.188 58.200 0.027 0.000 1.024 921 S CB -0.804 62.484 63.200 0.147 0.000 0.861 921 S HN 0.892 nan 8.310 nan 0.000 0.456 922 Q N 1.417 121.235 119.800 0.031 0.000 2.135 922 Q HA -0.068 4.270 4.340 -0.004 0.000 0.204 922 Q C 2.248 178.245 176.000 -0.006 0.000 0.981 922 Q CA 1.600 57.426 55.803 0.038 0.000 0.856 922 Q CB -0.808 27.965 28.738 0.059 0.000 0.902 922 Q HN 0.603 nan 8.270 nan 0.000 0.425 923 L N 0.075 121.265 121.223 -0.055 0.000 2.141 923 L HA -0.112 4.226 4.340 -0.004 0.000 0.209 923 L C 2.433 179.195 176.870 -0.181 0.000 1.094 923 L CA 0.429 55.220 54.840 -0.081 0.000 0.763 923 L CB -0.428 41.581 42.059 -0.084 0.000 0.908 923 L HN 0.285 nan 8.230 nan 0.000 0.437 924 I N -0.123 120.280 120.570 -0.278 0.000 2.286 924 I HA -0.223 3.945 4.170 -0.004 0.000 0.245 924 I C 2.623 178.618 176.117 -0.204 0.000 1.104 924 I CA 1.264 62.255 61.300 -0.515 0.000 1.397 924 I CB -0.660 37.004 38.000 -0.560 0.000 1.072 924 I HN 0.164 nan 8.210 nan 0.000 0.417 925 I N 0.891 121.462 120.570 0.002 0.000 2.208 925 I HA -0.296 3.871 4.170 -0.004 0.000 0.245 925 I C 2.517 178.634 176.117 0.001 0.000 1.097 925 I CA 1.363 62.687 61.300 0.040 0.000 1.363 925 I CB -1.041 36.972 38.000 0.022 0.000 1.051 925 I HN 0.395 nan 8.210 nan 0.000 0.413 926 E N 1.067 121.257 120.200 -0.017 0.000 2.070 926 E HA -0.301 4.047 4.350 -0.004 0.000 0.197 926 E C 2.092 178.692 176.600 -0.001 0.000 1.004 926 E CA 1.801 58.199 56.400 -0.003 0.000 0.805 926 E CB 0.145 29.846 29.700 0.002 0.000 0.744 926 E HN 0.215 nan 8.360 nan 0.000 0.451 927 K N 0.325 120.699 120.400 -0.044 0.000 2.025 927 K HA -0.040 4.277 4.320 -0.004 0.000 0.207 927 K C 2.060 178.706 176.600 0.078 0.000 1.049 927 K CA 0.975 57.252 56.287 -0.017 0.000 0.933 927 K CB -0.302 32.081 32.500 -0.195 0.000 0.714 927 K HN 0.168 nan 8.250 nan 0.000 0.438 928 L N 0.121 121.397 121.223 0.088 0.000 2.265 928 L HA -0.118 4.219 4.340 -0.004 0.000 0.215 928 L C 2.320 179.258 176.870 0.112 0.000 1.117 928 L CA 0.673 55.625 54.840 0.186 0.000 0.782 928 L CB -0.376 41.836 42.059 0.256 0.000 0.914 928 L HN 0.253 nan 8.230 nan 0.000 0.441 929 M N -0.329 119.304 119.600 0.055 0.000 2.175 929 M HA -0.096 4.382 4.480 -0.004 0.000 0.264 929 M C 0.586 176.903 176.300 0.028 0.000 1.063 929 M CA 0.836 56.147 55.300 0.018 0.000 1.119 929 M CB -0.798 31.805 32.600 0.005 0.000 1.377 929 M HN 0.319 nan 8.290 nan 0.000 0.415 930 N N 1.976 120.704 118.700 0.046 0.000 2.292 930 N HA -0.079 4.658 4.740 -0.004 0.000 0.258 930 N C -0.095 175.433 175.510 0.031 0.000 1.261 930 N CA 0.475 53.545 53.050 0.033 0.000 0.845 930 N CB 0.403 38.918 38.487 0.046 0.000 1.064 930 N HN 0.140 nan 8.380 nan 0.000 0.471 931 K N 2.631 123.035 120.400 0.006 0.000 2.235 931 K HA 0.180 4.497 4.320 -0.004 0.000 0.266 931 K C -0.473 176.120 176.600 -0.012 0.000 0.980 931 K CA -0.740 55.552 56.287 0.008 0.000 0.849 931 K CB 0.986 33.493 32.500 0.012 0.000 1.098 931 K HN 0.429 nan 8.250 nan 0.000 0.445 932 R N 5.609 126.099 120.500 -0.016 0.000 2.343 932 R HA 0.095 4.433 4.340 -0.004 0.000 0.326 932 R C 0.728 177.007 176.300 -0.034 0.000 1.055 932 R CA 0.183 56.244 56.100 -0.064 0.000 0.961 932 R CB 0.034 30.282 30.300 -0.086 0.000 0.978 932 R HN 0.782 nan 8.270 nan 0.000 0.443 933 I N 0.728 121.300 120.570 0.003 0.000 4.240 933 I HA 0.504 4.671 4.170 -0.004 0.000 0.331 933 I C 0.293 176.445 176.117 0.059 0.000 1.381 933 I CA -0.421 60.910 61.300 0.053 0.000 1.136 933 I CB 1.136 39.192 38.000 0.094 0.000 1.137 933 I HN 0.581 nan 8.210 nan 0.000 0.411 934 G N 0.069 108.868 108.800 -0.002 0.000 2.550 934 G HA2 0.597 4.554 3.960 -0.004 0.000 0.293 934 G HA3 0.597 4.554 3.960 -0.004 0.000 0.293 934 G C -2.294 172.491 174.900 -0.192 0.000 1.402 934 G CA -0.517 44.579 45.100 -0.007 0.000 0.784 934 G HN 0.067 nan 8.290 nan 0.000 0.482 935 Y N -0.852 119.493 120.300 0.074 0.000 2.615 935 Y HA 0.558 5.105 4.550 -0.005 0.000 0.341 935 Y C -1.052 174.869 175.900 0.036 0.000 1.089 935 Y CA -0.738 57.403 58.100 0.067 0.000 1.049 935 Y CB 2.855 41.340 38.460 0.041 0.000 1.296 935 Y HN 0.522 nan 8.280 nan 0.000 0.470 936 D N 1.124 121.670 120.400 0.243 0.000 2.308 936 D HA 0.246 4.883 4.640 -0.004 0.000 0.242 936 D C -1.470 174.893 176.300 0.105 0.000 1.059 936 D CA -0.478 53.599 54.000 0.129 0.000 0.830 936 D CB 0.876 41.742 40.800 0.110 0.000 1.161 936 D HN 0.506 nan 8.370 nan 0.000 0.494 937 N N 4.115 122.853 118.700 0.063 0.000 2.501 937 N HA 0.383 5.120 4.740 -0.004 0.000 0.245 937 N C -2.276 173.248 175.510 0.024 0.000 0.974 937 N CA -1.017 52.054 53.050 0.035 0.000 0.941 937 N CB 1.399 39.898 38.487 0.020 0.000 1.122 937 N HN 0.271 nan 8.380 nan 0.000 0.507 938 P HA 0.281 nan 4.420 nan 0.000 0.286 938 P C 0.416 177.720 177.300 0.007 0.000 1.261 938 P CA -0.532 62.578 63.100 0.015 0.000 0.821 938 P CB 1.963 33.674 31.700 0.018 0.000 1.013 939 R N 2.803 123.306 120.500 0.006 0.000 2.096 939 R HA -0.134 4.203 4.340 -0.004 0.000 0.240 939 R C 0.796 177.096 176.300 -0.001 0.000 1.139 939 R CA 1.654 57.755 56.100 0.002 0.000 0.952 939 R CB -0.277 30.025 30.300 0.002 0.000 0.854 939 R HN 0.650 nan 8.270 nan 0.000 0.436 940 R N -0.952 119.549 120.500 0.001 0.000 2.513 940 R HA 0.637 4.974 4.340 -0.004 0.000 0.301 940 R C -0.545 175.755 176.300 -0.000 0.000 0.968 940 R CA -0.367 55.732 56.100 -0.002 0.000 0.872 940 R CB 1.757 32.056 30.300 -0.001 0.000 1.177 940 R HN 0.293 nan 8.270 nan 0.000 0.444 941 G N 1.103 109.900 108.800 -0.005 0.000 2.331 941 G HA2 0.028 3.985 3.960 -0.004 0.000 0.402 941 G HA3 0.028 3.985 3.960 -0.004 0.000 0.402 941 G C -0.825 174.069 174.900 -0.009 0.000 1.275 941 G CA -0.433 44.664 45.100 -0.004 0.000 1.003 941 G HN 0.896 nan 8.290 nan 0.000 0.500 942 T N -1.385 113.164 114.554 -0.008 0.000 2.948 942 T HA 0.744 5.091 4.350 -0.004 0.000 0.285 942 T C 0.820 175.521 174.700 0.001 0.000 1.019 942 T CA -0.705 61.385 62.100 -0.017 0.000 1.013 942 T CB 1.375 70.228 68.868 -0.026 0.000 1.117 942 T HN 0.854 nan 8.240 nan 0.000 0.533 943 L N 1.564 122.777 121.223 -0.017 0.000 2.506 943 L HA 0.278 4.615 4.340 -0.004 0.000 0.281 943 L C 0.784 177.730 176.870 0.126 0.000 1.228 943 L CA -0.095 54.761 54.840 0.027 0.000 0.850 943 L CB 0.631 42.618 42.059 -0.120 0.000 1.110 943 L HN 0.730 nan 8.230 nan 0.000 0.496 944 S N 3.666 119.496 115.700 0.217 0.000 2.640 944 S HA 0.453 4.921 4.470 -0.004 0.000 0.320 944 S C -2.352 172.408 174.600 0.265 0.000 1.097 944 S CA -1.488 56.831 58.200 0.199 0.000 1.092 944 S CB 1.244 64.522 63.200 0.128 0.000 0.988 944 S HN 0.323 nan 8.310 nan 0.000 0.470 945 P HA 0.130 nan 4.420 nan 0.000 0.271 945 P C -1.446 175.813 177.300 -0.067 0.000 1.218 945 P CA -0.240 62.773 63.100 -0.144 0.000 0.780 945 P CB 0.402 32.040 31.700 -0.103 0.000 0.901 946 Y N 3.912 124.046 120.300 -0.277 0.000 2.332 946 Y HA 0.447 4.994 4.550 -0.005 0.000 0.326 946 Y C -2.610 173.220 175.900 -0.117 0.000 0.978 946 Y CA -2.645 55.376 58.100 -0.132 0.000 1.205 946 Y CB 1.555 39.957 38.460 -0.096 0.000 1.131 946 Y HN 0.279 nan 8.280 nan 0.000 0.462 947 P HA 0.212 nan 4.420 nan 0.000 0.274 947 P C 0.439 177.636 177.300 -0.172 0.000 1.256 947 P CA -0.033 62.752 63.100 -0.525 0.000 0.795 947 P CB 1.050 32.515 31.700 -0.391 0.000 1.038 948 T N -0.967 113.541 114.554 -0.078 0.000 2.812 948 T HA -0.088 4.259 4.350 -0.004 0.000 0.264 948 T C 0.633 175.379 174.700 0.077 0.000 1.042 948 T CA 1.503 63.612 62.100 0.016 0.000 1.140 948 T CB -0.936 67.961 68.868 0.049 0.000 0.870 948 T HN 0.450 nan 8.240 nan 0.000 0.445 949 N N 2.206 120.995 118.700 0.150 0.000 3.091 949 N HA 0.191 4.929 4.740 -0.004 0.000 0.301 949 N C -0.700 175.035 175.510 0.375 0.000 1.325 949 N CA -0.346 52.938 53.050 0.390 0.000 1.143 949 N CB 0.238 38.956 38.487 0.385 0.000 1.450 949 N HN 0.292 nan 8.380 nan 0.000 0.542 950 S N -1.477 114.348 115.700 0.208 0.000 2.482 950 S HA 0.483 4.950 4.470 -0.004 0.000 0.303 950 S C -0.053 174.636 174.600 0.148 0.000 1.091 950 S CA -0.905 57.387 58.200 0.155 0.000 1.057 950 S CB 1.521 64.731 63.200 0.017 0.000 1.031 950 S HN -0.096 nan 8.310 nan 0.000 0.485 951 V N 4.295 124.328 119.914 0.198 0.000 2.637 951 V HA 0.257 4.374 4.120 -0.004 0.000 0.296 951 V C 1.930 178.083 176.094 0.099 0.000 1.046 951 V CA -0.320 62.078 62.300 0.165 0.000 1.066 951 V CB 0.737 32.690 31.823 0.218 0.000 0.968 951 V HN 1.070 nan 8.190 nan 0.000 0.483 952 R N 2.686 123.235 120.500 0.081 0.000 2.062 952 R HA 0.035 4.372 4.340 -0.004 0.000 0.229 952 R C 1.110 177.464 176.300 0.090 0.000 1.128 952 R CA 1.459 57.608 56.100 0.082 0.000 0.960 952 R CB -0.036 30.311 30.300 0.078 0.000 0.855 952 R HN 0.894 nan 8.270 nan 0.000 0.432 953 G N -0.140 108.720 108.800 0.100 0.000 3.302 953 G HA2 0.246 4.203 3.960 -0.004 0.000 0.170 953 G HA3 0.246 4.203 3.960 -0.004 0.000 0.170 953 G C -1.134 173.824 174.900 0.096 0.000 1.119 953 G CA -0.621 44.534 45.100 0.092 0.000 0.826 953 G HN -0.023 nan 8.290 nan 0.000 0.646 954 K N 0.619 121.073 120.400 0.091 0.000 2.298 954 K HA 0.412 4.729 4.320 -0.004 0.000 0.280 954 K C -0.527 176.152 176.600 0.131 0.000 1.032 954 K CA 0.151 56.495 56.287 0.094 0.000 0.958 954 K CB 1.464 34.009 32.500 0.074 0.000 0.978 954 K HN 0.310 nan 8.250 nan 0.000 0.472 955 I N 2.914 123.584 120.570 0.165 0.000 2.530 955 I HA 0.453 4.620 4.170 -0.004 0.000 0.297 955 I C -0.203 176.097 176.117 0.305 0.000 1.011 955 I CA -1.063 60.385 61.300 0.248 0.000 1.107 955 I CB 1.698 39.903 38.000 0.342 0.000 1.285 955 I HN 0.435 nan 8.210 nan 0.000 0.436 956 I N 4.161 124.886 120.570 0.259 0.000 2.582 956 I HA 0.705 4.872 4.170 -0.004 0.000 0.292 956 I C -0.653 175.516 176.117 0.087 0.000 1.066 956 I CA -0.315 61.120 61.300 0.225 0.000 1.053 956 I CB 1.695 39.790 38.000 0.158 0.000 1.241 956 I HN 0.714 nan 8.210 nan 0.000 0.421 957 A N 8.071 130.850 122.820 -0.068 0.000 2.304 957 A HA 0.784 5.101 4.320 -0.004 0.000 0.323 957 A C -0.840 176.703 177.584 -0.068 0.000 1.195 957 A CA -0.525 51.338 52.037 -0.290 0.000 0.826 957 A CB 0.620 19.037 19.000 -0.973 0.000 1.184 957 A HN 0.637 nan 8.150 nan 0.000 0.496 958 I N 1.469 122.037 120.570 -0.004 0.000 2.412 958 I HA 0.593 4.761 4.170 -0.004 0.000 0.296 958 I C 0.267 176.403 176.117 0.031 0.000 0.987 958 I CA -0.264 61.070 61.300 0.056 0.000 1.180 958 I CB 2.191 40.273 38.000 0.136 0.000 1.340 958 I HN 0.650 nan 8.210 nan 0.000 0.455 959 T N 4.208 118.770 114.554 0.014 0.000 2.889 959 T HA 0.521 4.869 4.350 -0.004 0.000 0.315 959 T C -1.280 173.385 174.700 -0.058 0.000 1.291 959 T CA -0.682 61.409 62.100 -0.015 0.000 1.028 959 T CB 1.577 70.454 68.868 0.014 0.000 1.235 959 T HN 0.834 nan 8.240 nan 0.000 0.491 960 N N 0.993 119.616 118.700 -0.128 0.000 3.167 960 N HA 0.331 5.068 4.740 -0.004 0.000 0.323 960 N C 0.618 176.002 175.510 -0.210 0.000 1.478 960 N CA -0.720 52.216 53.050 -0.189 0.000 0.753 960 N CB 0.299 38.608 38.487 -0.296 0.000 1.721 960 N HN 0.614 nan 8.380 nan 0.000 0.618 961 E N -0.741 119.254 120.200 -0.343 0.000 2.516 961 E HA -0.138 4.209 4.350 -0.004 0.000 0.199 961 E C -0.183 176.186 176.600 -0.385 0.000 1.069 961 E CA 0.820 57.013 56.400 -0.345 0.000 0.876 961 E CB -0.555 28.893 29.700 -0.421 0.000 0.843 961 E HN 0.735 nan 8.360 nan 0.000 0.530 962 Y N 0.638 120.881 120.300 -0.094 0.000 2.555 962 Y HA 0.420 4.968 4.550 -0.004 0.000 0.259 962 Y C 0.872 176.728 175.900 -0.073 0.000 1.179 962 Y CA -0.279 57.773 58.100 -0.080 0.000 1.230 962 Y CB 0.889 39.276 38.460 -0.122 0.000 1.146 962 Y HN 0.068 nan 8.280 nan 0.000 0.526 963 A N 0.738 123.593 122.820 0.058 0.000 2.271 963 A HA 0.779 5.096 4.320 -0.004 0.000 0.317 963 A C 0.291 177.986 177.584 0.184 0.000 1.245 963 A CA -0.063 52.019 52.037 0.075 0.000 0.857 963 A CB 0.282 19.307 19.000 0.042 0.000 1.175 963 A HN 0.310 nan 8.150 nan 0.000 0.512 964 G N 0.088 108.997 108.800 0.183 0.000 2.727 964 G HA2 0.595 4.552 3.960 -0.004 0.000 0.289 964 G HA3 0.595 4.552 3.960 -0.004 0.000 0.289 964 G C 0.171 175.311 174.900 0.399 0.000 1.418 964 G CA 0.406 45.771 45.100 0.441 0.000 0.818 964 G HN 1.414 nan 8.290 nan 0.000 0.486 965 S N -0.821 115.274 115.700 0.658 0.000 4.138 965 S HA -0.323 4.144 4.470 -0.004 0.000 0.574 965 S C 1.461 176.194 174.600 0.221 0.000 1.895 965 S CA 1.952 60.443 58.200 0.485 0.000 4.239 965 S CB -1.300 62.224 63.200 0.540 0.000 0.264 965 S HN 0.916 nan 8.310 nan 0.000 0.489 966 D N 1.317 121.810 120.400 0.155 0.000 2.309 966 D HA 0.074 4.711 4.640 -0.004 0.000 0.212 966 D C 1.712 178.085 176.300 0.123 0.000 0.968 966 D CA 1.534 55.579 54.000 0.075 0.000 0.882 966 D CB -0.834 40.001 40.800 0.058 0.000 0.918 966 D HN 0.480 nan 8.370 nan 0.000 0.503 967 G N -0.040 108.851 108.800 0.151 0.000 2.394 967 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.215 967 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.215 967 G C 1.479 176.518 174.900 0.231 0.000 1.165 967 G CA 0.502 45.694 45.100 0.154 0.000 0.784 967 G HN 0.219 nan 8.290 nan 0.000 0.535 968 D N 0.784 121.334 120.400 0.250 0.000 2.097 968 D HA -0.097 4.540 4.640 -0.004 0.000 0.195 968 D C 2.678 179.124 176.300 0.244 0.000 0.989 968 D CA 0.603 54.755 54.000 0.254 0.000 0.827 968 D CB -0.025 40.934 40.800 0.266 0.000 0.966 968 D HN 0.154 nan 8.370 nan 0.000 0.456 969 I N 0.949 121.606 120.570 0.145 0.000 2.118 969 I HA -0.280 3.888 4.170 -0.004 0.000 0.241 969 I C 2.495 178.777 176.117 0.275 0.000 1.070 969 I CA 1.052 62.415 61.300 0.104 0.000 1.327 969 I CB -1.264 36.600 38.000 -0.226 0.000 1.034 969 I HN -0.020 nan 8.210 nan 0.000 0.405 970 F N 2.079 122.090 119.950 0.102 0.000 2.065 970 F HA -0.278 4.247 4.527 -0.004 0.000 0.298 970 F C 2.820 178.711 175.800 0.153 0.000 1.112 970 F CA 2.278 60.340 58.000 0.103 0.000 1.212 970 F CB -0.341 38.671 39.000 0.020 0.000 0.975 970 F HN -0.018 nan 8.300 nan 0.000 0.476 971 S N 0.431 116.302 115.700 0.285 0.000 2.365 971 S HA -0.266 4.202 4.470 -0.004 0.000 0.225 971 S C 1.832 176.475 174.600 0.072 0.000 1.039 971 S CA 1.672 59.970 58.200 0.164 0.000 1.033 971 S CB -1.041 62.278 63.200 0.198 0.000 0.887 971 S HN 0.534 nan 8.310 nan 0.000 0.447 972 F N 2.271 122.199 119.950 -0.036 0.000 2.134 972 F HA -0.144 4.380 4.527 -0.005 0.000 0.299 972 F C 2.494 178.133 175.800 -0.268 0.000 1.097 972 F CA 1.417 59.295 58.000 -0.204 0.000 1.264 972 F CB -0.424 38.341 39.000 -0.392 0.000 1.001 972 F HN 0.089 nan 8.300 nan 0.000 0.479 973 S N 0.178 115.922 115.700 0.073 0.000 2.368 973 S HA -0.200 4.268 4.470 -0.004 0.000 0.224 973 S C 1.810 176.310 174.600 -0.168 0.000 1.029 973 S CA 1.254 59.463 58.200 0.015 0.000 0.988 973 S CB -0.835 62.449 63.200 0.140 0.000 0.838 973 S HN 0.486 nan 8.310 nan 0.000 0.462 974 F N 2.309 122.007 119.950 -0.420 0.000 2.126 974 F HA -0.139 4.385 4.527 -0.005 0.000 0.299 974 F C 2.124 177.757 175.800 -0.278 0.000 1.096 974 F CA 1.479 59.230 58.000 -0.414 0.000 1.255 974 F CB -0.143 38.550 39.000 -0.512 0.000 0.997 974 F HN 0.052 nan 8.300 nan 0.000 0.479 975 K N -0.066 120.237 120.400 -0.162 0.000 1.984 975 K HA -0.217 4.100 4.320 -0.004 0.000 0.209 975 K C 2.140 178.530 176.600 -0.351 0.000 1.046 975 K CA 1.548 57.684 56.287 -0.252 0.000 0.934 975 K CB -0.292 32.029 32.500 -0.299 0.000 0.717 975 K HN -0.030 nan 8.250 nan 0.000 0.438 976 K N 1.422 121.542 120.400 -0.467 0.000 2.059 976 K HA -0.142 4.175 4.320 -0.004 0.000 0.212 976 K C 1.668 178.124 176.600 -0.240 0.000 1.050 976 K CA 1.510 57.562 56.287 -0.391 0.000 0.927 976 K CB -0.302 31.952 32.500 -0.409 0.000 0.714 976 K HN 0.095 nan 8.250 nan 0.000 0.447 977 L N -0.469 120.615 121.223 -0.231 0.000 2.610 977 L HA 0.134 4.471 4.340 -0.004 0.000 0.232 977 L C 0.965 177.690 176.870 -0.242 0.000 1.149 977 L CA 0.357 55.081 54.840 -0.194 0.000 0.872 977 L CB -0.483 41.471 42.059 -0.176 0.000 0.992 977 L HN 0.555 nan 8.230 nan 0.000 0.447 978 G N 0.560 109.181 108.800 -0.298 0.000 2.323 978 G HA2 -0.286 3.671 3.960 -0.004 0.000 0.292 978 G HA3 -0.286 3.671 3.960 -0.004 0.000 0.292 978 G C 0.571 175.254 174.900 -0.362 0.000 1.040 978 G CA 0.088 45.015 45.100 -0.289 0.000 0.942 978 G HN 0.206 nan 8.290 nan 0.000 0.506 979 L N -0.486 120.347 121.223 -0.649 0.000 2.376 979 L HA 0.440 4.778 4.340 -0.004 0.000 0.219 979 L C 1.841 178.390 176.870 -0.534 0.000 1.133 979 L CA 1.980 56.412 54.840 -0.680 0.000 0.816 979 L CB -0.631 40.804 42.059 -1.040 0.000 0.933 979 L HN 1.075 nan 8.230 nan 0.000 0.449 980 G N -2.281 106.206 108.800 -0.521 0.000 2.317 980 G HA2 0.149 4.107 3.960 -0.004 0.000 0.293 980 G HA3 0.149 4.107 3.960 -0.004 0.000 0.293 980 G C -1.303 173.688 174.900 0.151 0.000 1.287 980 G CA -0.936 44.146 45.100 -0.031 0.000 0.850 980 G HN -0.276 nan 8.290 nan 0.000 0.515 981 K N -0.207 120.339 120.400 0.244 0.000 2.218 981 K HA 0.533 4.850 4.320 -0.004 0.000 0.276 981 K C -0.690 176.084 176.600 0.291 0.000 1.022 981 K CA -0.610 55.806 56.287 0.216 0.000 0.946 981 K CB 1.958 34.557 32.500 0.166 0.000 1.000 981 K HN 0.394 nan 8.250 nan 0.000 0.468 982 L N 4.051 125.394 121.223 0.200 0.000 2.272 982 L HA 0.375 4.712 4.340 -0.004 0.000 0.289 982 L C -0.986 175.928 176.870 0.074 0.000 1.032 982 L CA -0.447 54.469 54.840 0.128 0.000 0.810 982 L CB 0.660 42.782 42.059 0.105 0.000 1.205 982 L HN 0.406 nan 8.230 nan 0.000 0.422 983 I N 4.433 125.040 120.570 0.061 0.000 2.603 983 I HA 0.929 5.096 4.170 -0.004 0.000 0.300 983 I C 0.677 176.794 176.117 0.000 0.000 1.017 983 I CA 0.313 61.632 61.300 0.032 0.000 1.098 983 I CB 1.632 39.705 38.000 0.122 0.000 1.279 983 I HN 0.763 nan 8.210 nan 0.000 0.437 984 G N 3.113 111.885 108.800 -0.046 0.000 2.204 984 G HA2 0.231 4.188 3.960 -0.004 0.000 0.153 984 G HA3 0.231 4.188 3.960 -0.004 0.000 0.153 984 G C -0.653 174.215 174.900 -0.052 0.000 1.295 984 G CA -0.105 44.973 45.100 -0.038 0.000 1.257 984 G HN 0.918 nan 8.290 nan 0.000 0.495 985 T N -2.037 112.485 114.554 -0.054 0.000 2.900 985 T HA 0.696 5.044 4.350 -0.004 0.000 0.303 985 T C -0.077 174.577 174.700 -0.078 0.000 1.142 985 T CA 0.026 62.088 62.100 -0.063 0.000 1.007 985 T CB 2.442 71.271 68.868 -0.065 0.000 1.156 985 T HN 1.025 nan 8.240 nan 0.000 0.490 986 R N 1.675 122.118 120.500 -0.096 0.000 2.566 986 R HA 0.236 4.573 4.340 -0.004 0.000 0.273 986 R C 0.815 177.053 176.300 -0.104 0.000 0.981 986 R CA 0.555 56.576 56.100 -0.131 0.000 1.091 986 R CB -0.022 30.134 30.300 -0.240 0.000 0.924 986 R HN 0.934 nan 8.270 nan 0.000 0.411 987 T N 1.317 115.842 114.554 -0.048 0.000 2.732 987 T HA -0.008 4.340 4.350 -0.004 0.000 0.287 987 T C 0.955 175.739 174.700 0.141 0.000 0.993 987 T CA -0.344 61.785 62.100 0.048 0.000 0.966 987 T CB 0.424 69.364 68.868 0.120 0.000 1.047 987 T HN 0.824 nan 8.240 nan 0.000 0.527 988 W N 1.860 123.190 121.300 0.051 0.000 2.290 988 W HA -0.035 4.623 4.660 -0.004 0.000 0.328 988 W C 1.770 178.444 176.519 0.257 0.000 1.272 988 W CA 2.767 60.214 57.345 0.170 0.000 1.262 988 W CB -1.092 28.499 29.460 0.218 0.000 1.151 988 W HN 1.421 nan 8.180 nan 0.000 0.473 989 G N -0.874 108.070 108.800 0.240 0.000 2.167 989 G HA2 0.038 3.996 3.960 -0.004 0.000 0.194 989 G HA3 0.038 3.996 3.960 -0.004 0.000 0.194 989 G C 0.030 174.929 174.900 -0.002 0.000 1.027 989 G CA -0.126 45.011 45.100 0.063 0.000 0.717 989 G HN 1.041 nan 8.290 nan 0.000 0.501 990 G N -0.661 108.051 108.800 -0.147 0.000 2.728 990 G HA2 0.686 4.643 3.960 -0.004 0.000 0.296 990 G HA3 0.686 4.643 3.960 -0.004 0.000 0.296 990 G C 0.082 175.135 174.900 0.255 0.000 1.401 990 G CA 0.113 45.063 45.100 -0.249 0.000 1.007 990 G HN 1.630 nan 8.290 nan 0.000 0.527 991 V N 0.515 120.502 119.914 0.121 0.000 2.647 991 V HA 0.496 4.613 4.120 -0.004 0.000 0.305 991 V C -0.629 175.419 176.094 -0.077 0.000 1.162 991 V CA -0.761 61.576 62.300 0.061 0.000 1.248 991 V CB 0.591 32.440 31.823 0.044 0.000 1.508 991 V HN 0.296 nan 8.190 nan 0.000 0.647 992 V N 1.951 121.713 119.914 -0.252 0.000 2.327 992 V HA 0.723 4.840 4.120 -0.004 0.000 0.272 992 V C 1.334 177.163 176.094 -0.441 0.000 1.019 992 V CA 0.045 62.151 62.300 -0.322 0.000 0.814 992 V CB 0.955 32.548 31.823 -0.384 0.000 1.040 992 V HN 0.732 nan 8.190 nan 0.000 0.440 993 G N 4.394 113.051 108.800 -0.238 0.000 2.568 993 G HA2 0.334 4.291 3.960 -0.004 0.000 0.231 993 G HA3 0.334 4.291 3.960 -0.004 0.000 0.231 993 G C -0.459 174.461 174.900 0.034 0.000 1.261 993 G CA 0.263 45.258 45.100 -0.176 0.000 0.855 993 G HN 0.918 nan 8.290 nan 0.000 0.576 994 I N -2.340 118.209 120.570 -0.035 0.000 2.619 994 I HA 0.656 4.824 4.170 -0.004 0.000 0.292 994 I C -0.367 175.741 176.117 -0.015 0.000 1.100 994 I CA -0.921 60.422 61.300 0.071 0.000 1.043 994 I CB 2.442 40.443 38.000 0.003 0.000 1.239 994 I HN 0.228 nan 8.210 nan 0.000 0.420 995 T N 5.472 120.073 114.554 0.079 0.000 3.135 995 T HA 0.434 4.781 4.350 -0.004 0.000 0.357 995 T C -2.561 172.173 174.700 0.058 0.000 1.112 995 T CA -0.705 61.382 62.100 -0.021 0.000 1.290 995 T CB 0.652 69.421 68.868 -0.164 0.000 1.018 995 T HN 0.589 nan 8.240 nan 0.000 0.527 996 P HA 0.227 nan 4.420 nan 0.000 0.269 996 P C 0.072 177.415 177.300 0.071 0.000 1.209 996 P CA -0.272 62.864 63.100 0.060 0.000 0.776 996 P CB 1.065 32.797 31.700 0.054 0.000 0.876 997 K N 0.529 120.999 120.400 0.117 0.000 2.582 997 K HA 0.297 4.614 4.320 -0.004 0.000 0.204 997 K C 0.366 177.159 176.600 0.322 0.000 1.221 997 K CA -0.552 55.841 56.287 0.178 0.000 1.048 997 K CB 1.043 33.593 32.500 0.083 0.000 1.011 997 K HN 0.256 nan 8.250 nan 0.000 0.597 998 R N 0.899 121.535 120.500 0.226 0.000 2.626 998 R HA 0.421 4.758 4.340 -0.004 0.000 0.274 998 R C -1.367 174.996 176.300 0.105 0.000 1.031 998 R CA -0.587 55.621 56.100 0.179 0.000 0.898 998 R CB 1.974 32.385 30.300 0.185 0.000 1.222 998 R HN 0.061 nan 8.270 nan 0.000 0.455 999 R N 2.460 123.005 120.500 0.075 0.000 2.856 999 R HA 0.536 4.874 4.340 -0.004 0.000 0.258 999 R C -0.534 175.799 176.300 0.054 0.000 1.066 999 R CA -0.879 55.264 56.100 0.071 0.000 1.045 999 R CB 1.278 31.627 30.300 0.081 0.000 1.178 999 R HN 0.376 nan 8.270 nan 0.000 0.499 1000 L N 2.289 123.552 121.223 0.066 0.000 2.379 1000 L HA 0.280 4.617 4.340 -0.004 0.000 0.269 1000 L C 1.985 178.892 176.870 0.061 0.000 1.084 1000 L CA -0.287 54.586 54.840 0.054 0.000 0.802 1000 L CB 1.176 43.269 42.059 0.058 0.000 1.175 1000 L HN 0.768 nan 8.230 nan 0.000 0.448 1001 I N -1.206 119.383 120.570 0.031 0.000 2.479 1001 I HA -0.262 3.905 4.170 -0.004 0.000 0.258 1001 I C 1.350 177.485 176.117 0.031 0.000 1.165 1001 I CA 1.598 62.909 61.300 0.018 0.000 1.422 1001 I CB -0.422 37.560 38.000 -0.031 0.000 1.087 1001 I HN 0.774 nan 8.210 nan 0.000 0.441 1002 D N 0.735 121.165 120.400 0.049 0.000 2.340 1002 D HA 0.149 4.787 4.640 -0.004 0.000 0.217 1002 D C 1.619 178.126 176.300 0.345 0.000 1.081 1002 D CA 0.514 54.575 54.000 0.102 0.000 0.842 1002 D CB 0.348 41.157 40.800 0.015 0.000 0.934 1002 D HN 0.546 nan 8.370 nan 0.000 0.511 1003 G N 0.052 109.005 108.800 0.255 0.000 2.195 1003 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.246 1003 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.246 1003 G C 0.521 175.508 174.900 0.146 0.000 0.984 1003 G CA 0.283 45.506 45.100 0.205 0.000 0.633 1003 G HN 0.451 nan 8.290 nan 0.000 0.525 1004 T N 0.814 115.450 114.554 0.137 0.000 2.946 1004 T HA 0.371 4.718 4.350 -0.004 0.000 0.312 1004 T C 0.480 175.243 174.700 0.106 0.000 1.066 1004 T CA 0.630 62.806 62.100 0.128 0.000 1.138 1004 T CB 1.945 70.882 68.868 0.115 0.000 1.014 1004 T HN 0.621 nan 8.240 nan 0.000 0.544 1005 V N 5.499 125.476 119.914 0.104 0.000 2.293 1005 V HA 0.327 4.444 4.120 -0.004 0.000 0.275 1005 V C 0.218 176.365 176.094 0.089 0.000 1.021 1005 V CA -0.630 61.722 62.300 0.087 0.000 0.815 1005 V CB 0.594 32.462 31.823 0.074 0.000 1.025 1005 V HN 0.680 nan 8.190 nan 0.000 0.448 1006 L N 4.277 125.547 121.223 0.079 0.000 2.421 1006 L HA 0.699 5.036 4.340 -0.004 0.000 0.263 1006 L C 0.683 177.588 176.870 0.058 0.000 1.122 1006 L CA -0.149 54.734 54.840 0.072 0.000 0.804 1006 L CB 1.846 43.936 42.059 0.052 0.000 1.150 1006 L HN 0.739 nan 8.230 nan 0.000 0.457 1007 T N -0.642 113.939 114.554 0.045 0.000 2.887 1007 T HA 0.688 5.035 4.350 -0.004 0.000 0.288 1007 T C -0.750 173.915 174.700 -0.058 0.000 1.021 1007 T CA -0.927 61.173 62.100 -0.000 0.000 1.000 1007 T CB 2.069 70.927 68.868 -0.018 0.000 1.034 1007 T HN 0.452 nan 8.240 nan 0.000 0.467 1008 Q N 2.355 122.115 119.800 -0.066 0.000 2.304 1008 Q HA 0.451 4.788 4.340 -0.004 0.000 0.270 1008 Q C -2.776 173.167 176.000 -0.095 0.000 1.035 1008 Q CA -2.157 53.582 55.803 -0.107 0.000 0.781 1008 Q CB 2.286 30.945 28.738 -0.130 0.000 1.261 1008 Q HN 0.499 nan 8.270 nan 0.000 0.444 1009 P HA -0.081 nan 4.420 nan 0.000 0.263 1009 P C -0.448 176.761 177.300 -0.153 0.000 1.345 1009 P CA 0.541 63.571 63.100 -0.117 0.000 1.119 1009 P CB 0.589 32.227 31.700 -0.103 0.000 1.363 1010 E N 1.947 122.069 120.200 -0.131 0.000 2.431 1010 E HA 0.085 4.432 4.350 -0.004 0.000 0.200 1010 E C -0.412 175.792 176.600 -0.661 0.000 0.995 1010 E CA 0.120 56.291 56.400 -0.382 0.000 0.915 1010 E CB 0.221 29.637 29.700 -0.474 0.000 0.930 1010 E HN 0.301 nan 8.360 nan 0.000 0.496 1011 F N 0.836 120.713 119.950 -0.122 0.000 2.434 1011 F HA 0.452 4.977 4.527 -0.004 0.000 0.367 1011 F C -0.131 175.576 175.800 -0.156 0.000 1.093 1011 F CA -0.983 56.956 58.000 -0.101 0.000 1.085 1011 F CB 1.303 40.249 39.000 -0.091 0.000 1.322 1011 F HN -0.127 nan 8.300 nan 0.000 0.452 1012 A N 3.463 126.223 122.820 -0.100 0.000 2.396 1012 A HA 0.347 4.664 4.320 -0.004 0.000 0.279 1012 A C -0.755 176.852 177.584 0.039 0.000 1.165 1012 A CA -0.206 51.674 52.037 -0.262 0.000 0.824 1012 A CB -0.256 18.313 19.000 -0.718 0.000 1.100 1012 A HN 0.612 nan 8.150 nan 0.000 0.516 1013 F N 3.290 123.194 119.950 -0.076 0.000 2.445 1013 F HA 0.428 4.952 4.527 -0.004 0.000 0.359 1013 F C -0.178 175.527 175.800 -0.158 0.000 1.101 1013 F CA -0.128 57.802 58.000 -0.116 0.000 1.177 1013 F CB 0.515 39.383 39.000 -0.220 0.000 1.110 1013 F HN 0.678 nan 8.300 nan 0.000 0.522 1014 W N 8.726 129.455 121.300 -0.951 0.000 2.329 1014 W HA 0.455 5.112 4.660 -0.005 0.000 0.312 1014 W C -1.790 174.272 176.519 -0.762 0.000 1.054 1014 W CA -1.065 55.733 57.345 -0.912 0.000 1.245 1014 W CB 0.676 29.602 29.460 -0.890 0.000 1.255 1014 W HN 0.377 nan 8.180 nan 0.000 0.436 1015 F N 5.320 124.610 119.950 -1.100 0.000 2.397 1015 F HA 0.413 4.937 4.527 -0.005 0.000 0.331 1015 F C 1.048 175.945 175.800 -1.506 0.000 1.090 1015 F CA -1.127 56.332 58.000 -0.902 0.000 1.065 1015 F CB 1.100 39.648 39.000 -0.752 0.000 1.184 1015 F HN 0.212 nan 8.300 nan 0.000 0.499 1016 R N 2.881 122.980 120.500 -0.668 0.000 2.491 1016 R HA 0.067 4.404 4.340 -0.004 0.000 0.283 1016 R C -0.478 175.649 176.300 -0.287 0.000 1.072 1016 R CA 0.110 55.833 56.100 -0.629 0.000 1.048 1016 R CB 0.215 30.465 30.300 -0.083 0.000 0.983 1016 R HN 0.804 nan 8.270 nan 0.000 0.450 1017 D N 1.904 122.173 120.400 -0.218 0.000 3.041 1017 D HA -0.226 4.411 4.640 -0.004 0.000 0.220 1017 D C -0.170 176.080 176.300 -0.082 0.000 1.157 1017 D CA 1.439 55.394 54.000 -0.076 0.000 0.876 1017 D CB -1.240 39.549 40.800 -0.018 0.000 1.107 1017 D HN 0.648 nan 8.370 nan 0.000 0.422 1018 A N -1.638 121.052 122.820 -0.218 0.000 2.726 1018 A HA 0.572 4.889 4.320 -0.004 0.000 0.192 1018 A C 1.567 178.985 177.584 -0.276 0.000 1.412 1018 A CA 1.161 53.099 52.037 -0.166 0.000 1.073 1018 A CB 0.133 19.064 19.000 -0.114 0.000 1.331 1018 A HN 1.170 nan 8.150 nan 0.000 0.537 1019 G N 0.466 108.925 108.800 -0.568 0.000 2.634 1019 G HA2 -0.349 3.608 3.960 -0.004 0.000 0.309 1019 G HA3 -0.349 3.608 3.960 -0.004 0.000 0.309 1019 G C 0.399 174.899 174.900 -0.666 0.000 1.265 1019 G CA 1.116 45.821 45.100 -0.658 0.000 0.998 1019 G HN 0.762 nan 8.290 nan 0.000 0.551 1020 F N 2.630 122.572 119.950 -0.014 0.000 2.693 1020 F HA 0.387 4.912 4.527 -0.005 0.000 0.303 1020 F C 2.518 178.307 175.800 -0.018 0.000 1.097 1020 F CA 0.613 58.590 58.000 -0.039 0.000 1.330 1020 F CB -0.047 38.909 39.000 -0.072 0.000 1.067 1020 F HN 0.583 nan 8.300 nan 0.000 0.565 1021 G N 0.680 109.544 108.800 0.106 0.000 2.550 1021 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.222 1021 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.222 1021 G C 1.751 176.721 174.900 0.117 0.000 1.113 1021 G CA 1.563 46.711 45.100 0.080 0.000 0.748 1021 G HN 0.294 nan 8.290 nan 0.000 0.585 1022 V N 0.758 120.730 119.914 0.098 0.000 2.407 1022 V HA -0.038 4.079 4.120 -0.004 0.000 0.248 1022 V C 1.415 177.624 176.094 0.193 0.000 1.055 1022 V CA 1.320 63.714 62.300 0.158 0.000 1.049 1022 V CB -0.435 31.438 31.823 0.083 0.000 0.662 1022 V HN 0.541 nan 8.190 nan 0.000 0.455 1023 E N 1.363 121.664 120.200 0.168 0.000 2.415 1023 E HA -0.071 4.277 4.350 -0.004 0.000 0.263 1023 E C 0.715 177.462 176.600 0.245 0.000 0.995 1023 E CA 0.717 57.222 56.400 0.176 0.000 0.915 1023 E CB -0.715 29.045 29.700 0.101 0.000 0.951 1023 E HN 0.422 nan 8.360 nan 0.000 0.449 1024 N N 2.806 121.703 118.700 0.329 0.000 2.776 1024 N HA -0.315 4.422 4.740 -0.004 0.000 0.249 1024 N C -0.832 174.742 175.510 0.106 0.000 1.111 1024 N CA 0.814 54.021 53.050 0.262 0.000 0.711 1024 N CB -0.620 38.057 38.487 0.315 0.000 1.065 1024 N HN 0.676 nan 8.380 nan 0.000 0.556 1025 Y N -1.231 119.048 120.300 -0.035 0.000 3.042 1025 Y HA 0.324 4.872 4.550 -0.004 0.000 0.230 1025 Y C 0.995 176.882 175.900 -0.022 0.000 1.107 1025 Y CA 2.128 60.188 58.100 -0.066 0.000 1.346 1025 Y CB 0.392 38.845 38.460 -0.012 0.000 1.421 1025 Y HN 0.289 nan 8.280 nan 0.000 0.438 1026 G N 0.925 109.726 108.800 0.002 0.000 2.548 1026 G HA2 -0.040 3.918 3.960 -0.004 0.000 0.208 1026 G HA3 -0.040 3.918 3.960 -0.004 0.000 0.208 1026 G C -1.639 173.287 174.900 0.043 0.000 1.308 1026 G CA -0.529 44.562 45.100 -0.015 0.000 0.924 1026 G HN 0.650 nan 8.290 nan 0.000 0.540 1027 V N 1.084 121.022 119.914 0.040 0.000 2.540 1027 V HA 0.529 4.646 4.120 -0.004 0.000 0.302 1027 V C -0.654 175.449 176.094 0.015 0.000 1.035 1027 V CA -0.852 61.514 62.300 0.111 0.000 0.873 1027 V CB 1.814 33.739 31.823 0.170 0.000 0.992 1027 V HN 0.688 nan 8.190 nan 0.000 0.428 1028 D N 6.130 126.559 120.400 0.048 0.000 2.264 1028 D HA 0.344 4.982 4.640 -0.004 0.000 0.250 1028 D C -2.319 173.982 176.300 0.002 0.000 1.113 1028 D CA -1.042 52.966 54.000 0.013 0.000 0.871 1028 D CB 2.077 42.919 40.800 0.070 0.000 1.167 1028 D HN 0.329 nan 8.370 nan 0.000 0.447 1029 P HA 0.144 nan 4.420 nan 0.000 0.282 1029 P C 0.255 177.548 177.300 -0.012 0.000 1.249 1029 P CA -0.416 62.678 63.100 -0.009 0.000 0.806 1029 P CB 1.574 33.262 31.700 -0.020 0.000 0.984 1030 D N 0.638 121.039 120.400 0.002 0.000 2.133 1030 D HA -0.079 4.559 4.640 -0.004 0.000 0.195 1030 D C 0.472 176.766 176.300 -0.009 0.000 0.997 1030 D CA 1.633 55.635 54.000 0.003 0.000 0.840 1030 D CB 0.100 40.918 40.800 0.030 0.000 0.947 1030 D HN 0.153 nan 8.370 nan 0.000 0.452 1031 V N 1.176 121.072 119.914 -0.030 0.000 2.443 1031 V HA 0.137 4.255 4.120 -0.004 0.000 0.293 1031 V C 0.003 175.996 176.094 -0.168 0.000 1.021 1031 V CA -0.837 61.398 62.300 -0.109 0.000 0.848 1031 V CB 2.163 33.888 31.823 -0.164 0.000 0.998 1031 V HN -0.050 nan 8.190 nan 0.000 0.424 1032 E N 4.125 124.241 120.200 -0.140 0.000 2.289 1032 E HA 0.514 4.861 4.350 -0.004 0.000 0.278 1032 E C -1.402 175.092 176.600 -0.176 0.000 1.032 1032 E CA -0.440 55.886 56.400 -0.122 0.000 0.854 1032 E CB 1.030 30.688 29.700 -0.070 0.000 1.046 1032 E HN 0.574 nan 8.360 nan 0.000 0.409 1033 I N 4.898 125.378 120.570 -0.151 0.000 2.531 1033 I HA 0.103 4.270 4.170 -0.004 0.000 0.283 1033 I C -0.189 175.890 176.117 -0.064 0.000 1.083 1033 I CA -0.443 60.766 61.300 -0.153 0.000 1.071 1033 I CB 1.533 39.394 38.000 -0.231 0.000 1.210 1033 I HN 0.467 nan 8.210 nan 0.000 0.450 1034 E N 3.443 123.639 120.200 -0.006 0.000 2.416 1034 E HA 0.089 4.436 4.350 -0.004 0.000 0.254 1034 E C -1.031 175.574 176.600 0.008 0.000 1.241 1034 E CA -0.066 56.376 56.400 0.070 0.000 0.969 1034 E CB 0.985 30.811 29.700 0.210 0.000 0.999 1034 E HN 0.375 nan 8.360 nan 0.000 0.481 1035 Y N 0.087 120.301 120.300 -0.143 0.000 2.662 1035 Y HA 0.366 4.913 4.550 -0.005 0.000 0.358 1035 Y C -0.308 175.335 175.900 -0.428 0.000 1.041 1035 Y CA -0.825 57.097 58.100 -0.297 0.000 1.184 1035 Y CB 0.219 38.532 38.460 -0.246 0.000 1.114 1035 Y HN 0.513 nan 8.280 nan 0.000 0.650 1036 A N 4.279 126.887 122.820 -0.353 0.000 2.429 1036 A HA 0.298 4.615 4.320 -0.004 0.000 0.242 1036 A C -1.506 175.721 177.584 -0.595 0.000 1.088 1036 A CA -0.920 50.651 52.037 -0.778 0.000 0.784 1036 A CB 0.147 18.683 19.000 -0.772 0.000 1.038 1036 A HN 0.536 nan 8.150 nan 0.000 0.501 1037 P HA -0.179 nan 4.420 nan 0.000 0.218 1037 P C 0.694 177.813 177.300 -0.303 0.000 1.148 1037 P CA 2.069 64.826 63.100 -0.572 0.000 0.822 1037 P CB -0.180 30.732 31.700 -1.312 0.000 0.784 1038 H N -2.948 116.077 119.070 -0.075 0.000 2.502 1038 H HA 0.047 4.601 4.556 -0.004 0.000 0.283 1038 H C 1.406 176.767 175.328 0.054 0.000 1.015 1038 H CA 0.794 56.908 56.048 0.110 0.000 1.298 1038 H CB -1.124 28.796 29.762 0.262 0.000 1.411 1038 H HN 0.059 nan 8.280 nan 0.000 0.556 1039 D N 0.506 120.761 120.400 -0.241 0.000 2.183 1039 D HA -0.126 4.512 4.640 -0.004 0.000 0.203 1039 D C 1.264 177.513 176.300 -0.086 0.000 0.969 1039 D CA 1.008 54.887 54.000 -0.202 0.000 0.842 1039 D CB -0.133 40.406 40.800 -0.435 0.000 0.957 1039 D HN 0.491 nan 8.370 nan 0.000 0.484 1040 Y N 0.821 121.149 120.300 0.047 0.000 2.314 1040 Y HA 0.002 4.549 4.550 -0.005 0.000 0.293 1040 Y C 2.478 178.379 175.900 0.002 0.000 1.129 1040 Y CA 0.333 58.458 58.100 0.040 0.000 1.201 1040 Y CB -0.190 38.207 38.460 -0.105 0.000 0.999 1040 Y HN -0.105 nan 8.280 nan 0.000 0.541 1041 L N -0.472 120.838 121.223 0.145 0.000 2.083 1041 L HA -0.226 4.111 4.340 -0.004 0.000 0.209 1041 L C 2.446 179.375 176.870 0.099 0.000 1.083 1041 L CA 1.718 56.628 54.840 0.116 0.000 0.752 1041 L CB -0.659 41.490 42.059 0.150 0.000 0.899 1041 L HN 0.286 nan 8.230 nan 0.000 0.433 1042 S N -0.751 115.004 115.700 0.091 0.000 2.489 1042 S HA 0.060 4.527 4.470 -0.004 0.000 0.228 1042 S C 1.550 176.172 174.600 0.036 0.000 0.995 1042 S CA 0.422 58.660 58.200 0.063 0.000 0.934 1042 S CB 0.097 63.331 63.200 0.058 0.000 0.771 1042 S HN 0.532 nan 8.310 nan 0.000 0.522 1043 G N 1.144 109.969 108.800 0.042 0.000 2.160 1043 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.244 1043 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.244 1043 G C -0.223 174.658 174.900 -0.032 0.000 1.022 1043 G CA 0.402 45.518 45.100 0.026 0.000 0.741 1043 G HN 0.760 nan 8.290 nan 0.000 0.508 1044 K N 0.170 120.530 120.400 -0.066 0.000 2.207 1044 K HA 0.466 4.783 4.320 -0.004 0.000 0.255 1044 K C -1.312 175.138 176.600 -0.250 0.000 0.941 1044 K CA -0.918 55.285 56.287 -0.140 0.000 0.825 1044 K CB 1.117 33.548 32.500 -0.115 0.000 1.119 1044 K HN -0.012 nan 8.250 nan 0.000 0.430 1045 D N 5.759 126.002 120.400 -0.262 0.000 2.467 1045 D HA 0.148 4.785 4.640 -0.004 0.000 0.220 1045 D C -1.570 174.496 176.300 -0.390 0.000 1.103 1045 D CA -2.361 51.431 54.000 -0.347 0.000 0.886 1045 D CB 1.480 42.216 40.800 -0.107 0.000 1.025 1045 D HN 0.330 nan 8.370 nan 0.000 0.514 1046 P HA -0.168 nan 4.420 nan 0.000 0.218 1046 P C 1.119 178.314 177.300 -0.176 0.000 1.149 1046 P CA 1.059 63.947 63.100 -0.354 0.000 0.817 1046 P CB 0.682 32.118 31.700 -0.439 0.000 0.785 1047 Q N -0.451 119.225 119.800 -0.207 0.000 2.049 1047 Q HA -0.053 4.284 4.340 -0.004 0.000 0.198 1047 Q C 2.451 178.497 176.000 0.076 0.000 0.971 1047 Q CA 0.941 56.734 55.803 -0.016 0.000 0.833 1047 Q CB -0.527 28.233 28.738 0.035 0.000 0.896 1047 Q HN 0.209 nan 8.270 nan 0.000 0.434 1048 I N 0.801 121.406 120.570 0.059 0.000 2.315 1048 I HA -0.274 3.893 4.170 -0.004 0.000 0.248 1048 I C 1.234 177.406 176.117 0.091 0.000 1.117 1048 I CA 1.143 62.494 61.300 0.084 0.000 1.404 1048 I CB 0.074 38.095 38.000 0.035 0.000 1.071 1048 I HN 0.185 nan 8.210 nan 0.000 0.419 1049 D N -0.158 120.290 120.400 0.079 0.000 2.117 1049 D HA -0.250 4.387 4.640 -0.004 0.000 0.197 1049 D C 1.844 178.180 176.300 0.060 0.000 0.987 1049 D CA 1.326 55.374 54.000 0.080 0.000 0.829 1049 D CB -0.348 40.486 40.800 0.058 0.000 0.961 1049 D HN 0.429 nan 8.370 nan 0.000 0.460 1050 Y N 1.526 121.814 120.300 -0.019 0.000 2.145 1050 Y HA -0.214 4.333 4.550 -0.005 0.000 0.286 1050 Y C 2.248 178.152 175.900 0.006 0.000 1.145 1050 Y CA 1.895 59.989 58.100 -0.011 0.000 1.148 1050 Y CB -0.415 38.035 38.460 -0.016 0.000 0.981 1050 Y HN -0.046 nan 8.280 nan 0.000 0.507 1051 A N 0.858 123.771 122.820 0.156 0.000 1.873 1051 A HA -0.233 4.084 4.320 -0.004 0.000 0.218 1051 A C 2.183 179.757 177.584 -0.016 0.000 1.193 1051 A CA 2.222 54.316 52.037 0.094 0.000 0.629 1051 A CB -1.072 18.012 19.000 0.139 0.000 0.826 1051 A HN 0.521 nan 8.150 nan 0.000 0.447 1052 I N 0.414 120.969 120.570 -0.026 0.000 2.099 1052 I HA -0.229 3.938 4.170 -0.004 0.000 0.239 1052 I C 2.017 178.070 176.117 -0.107 0.000 1.066 1052 I CA 1.941 63.200 61.300 -0.067 0.000 1.324 1052 I CB -1.842 36.099 38.000 -0.100 0.000 1.037 1052 I HN 0.293 nan 8.210 nan 0.000 0.401 1053 D N 1.304 121.618 120.400 -0.143 0.000 2.116 1053 D HA -0.159 4.478 4.640 -0.004 0.000 0.193 1053 D C 2.266 178.433 176.300 -0.222 0.000 0.998 1053 D CA 1.783 55.678 54.000 -0.175 0.000 0.836 1053 D CB -0.287 40.399 40.800 -0.190 0.000 0.951 1053 D HN 0.352 nan 8.370 nan 0.000 0.449 1054 A N 0.678 123.285 122.820 -0.355 0.000 1.908 1054 A HA -0.159 4.159 4.320 -0.004 0.000 0.218 1054 A C 2.409 179.911 177.584 -0.137 0.000 1.181 1054 A CA 1.087 52.926 52.037 -0.331 0.000 0.627 1054 A CB -0.849 17.891 19.000 -0.434 0.000 0.818 1054 A HN 0.232 nan 8.150 nan 0.000 0.445 1055 L N -0.786 120.384 121.223 -0.088 0.000 2.093 1055 L HA -0.133 4.204 4.340 -0.004 0.000 0.208 1055 L C 2.466 179.317 176.870 -0.031 0.000 1.085 1055 L CA 1.022 55.845 54.840 -0.028 0.000 0.755 1055 L CB -0.377 41.683 42.059 0.002 0.000 0.904 1055 L HN 0.407 nan 8.230 nan 0.000 0.435 1056 I N -0.240 120.298 120.570 -0.054 0.000 2.226 1056 I HA -0.305 3.862 4.170 -0.004 0.000 0.245 1056 I C 2.550 178.643 176.117 -0.040 0.000 1.100 1056 I CA 1.224 62.497 61.300 -0.045 0.000 1.374 1056 I CB -0.185 37.779 38.000 -0.061 0.000 1.057 1056 I HN 0.253 nan 8.210 nan 0.000 0.413 1057 E N 1.477 121.643 120.200 -0.056 0.000 2.110 1057 E HA -0.240 4.107 4.350 -0.004 0.000 0.193 1057 E C 1.903 178.487 176.600 -0.025 0.000 0.988 1057 E CA 1.543 57.916 56.400 -0.045 0.000 0.804 1057 E CB -0.103 29.560 29.700 -0.061 0.000 0.745 1057 E HN 0.444 nan 8.360 nan 0.000 0.458 1058 E N -0.890 119.297 120.200 -0.021 0.000 2.418 1058 E HA -0.082 4.265 4.350 -0.004 0.000 0.197 1058 E C 0.240 176.844 176.600 0.006 0.000 1.026 1058 E CA 0.134 56.533 56.400 -0.002 0.000 0.862 1058 E CB 0.136 29.841 29.700 0.009 0.000 0.799 1058 E HN 0.163 nan 8.360 nan 0.000 0.518 1059 L N 0.802 122.027 121.223 0.003 0.000 2.978 1059 L HA 0.104 4.441 4.340 -0.004 0.000 0.239 1059 L C 1.257 178.129 176.870 0.004 0.000 1.293 1059 L CA 0.394 55.240 54.840 0.010 0.000 1.085 1059 L CB 0.075 42.143 42.059 0.015 0.000 1.432 1059 L HN -0.078 nan 8.230 nan 0.000 0.512 1060 R N -1.004 119.496 120.500 0.000 0.000 2.250 1060 R HA 0.272 4.610 4.340 -0.004 0.000 0.194 1060 R C 0.512 176.813 176.300 0.002 0.000 0.927 1060 R CA 0.017 56.116 56.100 -0.002 0.000 1.052 1060 R CB 0.019 30.315 30.300 -0.007 0.000 1.055 1060 R HN 0.391 nan 8.270 nan 0.000 0.537 1061 N N 0.000 118.703 118.700 0.005 0.000 1.763 1061 N HA 0.000 4.737 4.740 -0.004 0.000 0.220 1061 N CA 0.000 53.054 53.050 0.007 0.000 0.885 1061 N CB 0.000 38.492 38.487 0.009 0.000 1.341 1061 N HN 0.000 nan 8.380 nan 0.000 0.667