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 1shy_1_B DATA FIRST_RESID 40 DATA SEQUENCE KYQLPNFTAE TPIQNVILHE HHIFLGATNY IYVLNEEDLQ KVAEYKTGPV DATA SEQUENCE LEHPDcFPcQ DcSSKANLSG GVWKDNINMA LVVDTYYDDQ LIScGSVNRG DATA SEQUENCE TcQRHVFPHN HTADIQSEVH cIFSPQIEEP SQCPDCVVSA LGAKVLSSVK DATA SEQUENCE DRFINFFVGN TINSSYFPDH PLHSISVRRL KETKDGFMFL TDQSYIDVLP DATA SEQUENCE EFRDSYPIKY VHAFESNNFI YFLTVQRETL DAQTFHTRII RFCSINSGLH DATA SEQUENCE SYMEMPLEcI LTXXXXXXXX XKEVFNILQA AYVSKPGAQL ARQIGASLND DATA SEQUENCE DILFGVFAQS KPDSAEPMDR SAMcAFPIKY VNDFFNKIXX XXNVRcLQHF DATA SEQUENCE YGPNHEHcFN RXXXXXXXXX XXXXDEYRTE FTTALQRVDL FMGQFSEVLL DATA SEQUENCE TSISTFIKGD LTIANLGTSE GRFMQVVVSR SGPSTPHVNF LLDSHPVSPE DATA SEQUENCE VIVEHTLNQN GYTLVITGKK ITKIPLNGLG cRHFQScSQc LSAPPFVQcG DATA SEQUENCE WcHDKcVRSE EcLSGTWTQQ IcLPA 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 40 K HA 0.000 nan 4.320 nan 0.000 0.191 40 K C 0.000 176.380 176.600 -0.368 0.000 0.988 40 K CA 0.000 56.109 56.287 -0.297 0.000 0.838 40 K CB 0.000 32.419 32.500 -0.136 0.000 1.064 41 Y N 1.232 121.413 120.300 -0.197 0.000 2.432 41 Y HA 0.297 4.846 4.550 -0.000 0.000 0.322 41 Y C 0.420 176.236 175.900 -0.140 0.000 1.246 41 Y CA -0.715 57.233 58.100 -0.252 0.000 1.268 41 Y CB 1.592 39.727 38.460 -0.541 0.000 1.276 41 Y HN 0.533 nan 8.280 nan 0.000 0.499 42 Q N 2.462 122.309 119.800 0.077 0.000 2.347 42 Q HA 0.576 4.915 4.340 -0.001 0.000 0.265 42 Q C -2.353 173.641 176.000 -0.010 0.000 1.024 42 Q CA -0.145 55.669 55.803 0.020 0.000 0.731 42 Q CB 0.599 29.343 28.738 0.009 0.000 1.245 42 Q HN 0.687 nan 8.270 nan 0.000 0.472 43 L N 4.118 125.332 121.223 -0.016 0.000 2.350 43 L HA 0.701 5.040 4.340 -0.001 0.000 0.260 43 L C -2.198 174.647 176.870 -0.042 0.000 1.015 43 L CA -2.724 52.090 54.840 -0.043 0.000 0.821 43 L CB 2.490 44.521 42.059 -0.047 0.000 1.370 43 L HN 0.560 nan 8.230 nan 0.000 0.416 44 P HA 0.024 nan 4.420 nan 0.000 0.257 44 P C -1.282 175.999 177.300 -0.031 0.000 1.189 44 P CA 0.199 63.263 63.100 -0.059 0.000 0.780 44 P CB -0.185 31.454 31.700 -0.102 0.000 0.772 45 N N 3.431 122.127 118.700 -0.007 0.000 2.804 45 N HA 0.208 4.948 4.740 -0.001 0.000 0.251 45 N C -1.121 174.405 175.510 0.026 0.000 1.250 45 N CA -0.671 52.379 53.050 -0.001 0.000 0.820 45 N CB 0.534 39.006 38.487 -0.024 0.000 1.156 45 N HN 0.169 nan 8.380 nan 0.000 0.512 46 F N 2.058 121.965 119.950 -0.071 0.000 2.410 46 F HA 0.324 4.851 4.527 -0.000 0.000 0.348 46 F C -0.348 175.404 175.800 -0.080 0.000 1.106 46 F CA 0.144 58.094 58.000 -0.082 0.000 1.163 46 F CB 1.236 40.183 39.000 -0.088 0.000 1.129 46 F HN 0.159 nan 8.300 nan 0.000 0.516 47 T N 6.529 120.302 114.554 -1.301 0.000 2.786 47 T HA 0.710 5.060 4.350 -0.001 0.000 0.283 47 T C -0.235 173.630 174.700 -1.392 0.000 0.992 47 T CA -0.510 60.990 62.100 -0.999 0.000 0.954 47 T CB 1.097 69.647 68.868 -0.530 0.000 0.934 47 T HN 0.788 nan 8.240 nan 0.000 0.440 48 A N 2.022 124.339 122.820 -0.838 0.000 2.269 48 A HA 0.631 4.951 4.320 -0.001 0.000 0.319 48 A C 1.087 178.525 177.584 -0.242 0.000 1.110 48 A CA -0.542 51.197 52.037 -0.497 0.000 0.847 48 A CB 0.488 19.467 19.000 -0.035 0.000 1.161 48 A HN 0.700 nan 8.150 nan 0.000 0.497 49 E N -0.168 119.933 120.200 -0.165 0.000 2.481 49 E HA 0.024 4.374 4.350 -0.001 0.000 0.195 49 E C 0.459 177.071 176.600 0.019 0.000 1.047 49 E CA 1.105 57.455 56.400 -0.084 0.000 0.867 49 E CB 0.061 29.697 29.700 -0.106 0.000 0.858 49 E HN 0.776 nan 8.360 nan 0.000 0.513 50 T N -1.976 112.643 114.554 0.107 0.000 2.903 50 T HA 0.502 4.851 4.350 -0.001 0.000 0.299 50 T C -3.020 171.783 174.700 0.171 0.000 1.093 50 T CA -2.491 59.701 62.100 0.152 0.000 1.002 50 T CB 2.449 71.446 68.868 0.215 0.000 1.127 50 T HN -0.350 nan 8.240 nan 0.000 0.488 51 P HA 0.241 nan 4.420 nan 0.000 0.266 51 P C -0.535 176.857 177.300 0.154 0.000 1.193 51 P CA -0.176 63.005 63.100 0.136 0.000 0.770 51 P CB 0.229 31.994 31.700 0.109 0.000 0.836 52 I N 3.200 123.861 120.570 0.152 0.000 2.297 52 I HA 0.121 4.291 4.170 -0.001 0.000 0.291 52 I C 1.183 177.375 176.117 0.125 0.000 1.033 52 I CA -0.258 61.139 61.300 0.162 0.000 1.253 52 I CB 1.401 39.513 38.000 0.187 0.000 1.396 52 I HN 0.330 nan 8.210 nan 0.000 0.476 53 Q N 3.402 123.269 119.800 0.112 0.000 2.123 53 Q HA 0.131 4.471 4.340 -0.001 0.000 0.196 53 Q C -0.071 175.989 176.000 0.101 0.000 0.958 53 Q CA 1.199 57.060 55.803 0.096 0.000 0.841 53 Q CB 0.259 29.047 28.738 0.083 0.000 0.915 53 Q HN 0.569 nan 8.270 nan 0.000 0.455 54 N N -1.498 117.268 118.700 0.110 0.000 2.591 54 N HA 0.502 5.242 4.740 -0.001 0.000 0.263 54 N C -1.770 173.819 175.510 0.132 0.000 1.308 54 N CA -0.411 52.706 53.050 0.112 0.000 0.837 54 N CB 2.556 41.101 38.487 0.097 0.000 1.548 54 N HN -0.206 nan 8.380 nan 0.000 0.493 55 V N 1.652 121.649 119.914 0.137 0.000 2.817 55 V HA 0.543 4.663 4.120 -0.001 0.000 0.303 55 V C -1.157 175.041 176.094 0.174 0.000 1.151 55 V CA -0.482 61.916 62.300 0.163 0.000 0.929 55 V CB 2.269 34.184 31.823 0.152 0.000 1.030 55 V HN 0.543 nan 8.190 nan 0.000 0.427 56 I N 4.816 125.526 120.570 0.234 0.000 2.647 56 I HA 0.579 4.748 4.170 -0.001 0.000 0.295 56 I C -0.987 175.339 176.117 0.349 0.000 1.078 56 I CA -0.480 60.974 61.300 0.257 0.000 1.048 56 I CB 2.058 40.189 38.000 0.219 0.000 1.239 56 I HN 0.526 nan 8.210 nan 0.000 0.421 57 L N 6.868 128.265 121.223 0.290 0.000 2.305 57 L HA 0.621 4.960 4.340 -0.001 0.000 0.284 57 L C -1.311 175.773 176.870 0.356 0.000 1.013 57 L CA 0.012 55.028 54.840 0.294 0.000 0.819 57 L CB 0.768 42.946 42.059 0.198 0.000 1.227 57 L HN 0.692 nan 8.230 nan 0.000 0.417 58 H N 2.530 121.794 119.070 0.324 0.000 2.856 58 H HA 0.383 4.938 4.556 -0.001 0.000 0.355 58 H C -0.407 175.021 175.328 0.166 0.000 1.079 58 H CA -0.415 55.785 56.048 0.253 0.000 1.240 58 H CB 1.258 31.204 29.762 0.307 0.000 1.701 58 H HN 0.705 nan 8.280 nan 0.000 0.527 59 E N 3.870 123.678 120.200 -0.654 0.000 2.149 59 E HA -0.274 4.076 4.350 -0.001 0.000 0.191 59 E C -0.480 175.929 176.600 -0.319 0.000 1.384 59 E CA 1.492 57.495 56.400 -0.662 0.000 0.698 59 E CB -1.296 27.966 29.700 -0.729 0.000 1.086 59 E HN 0.807 nan 8.360 nan 0.000 0.338 60 H N -1.668 117.352 119.070 -0.085 0.000 2.899 60 H HA -0.220 4.336 4.556 -0.001 0.000 0.282 60 H C 0.038 175.098 175.328 -0.448 0.000 1.198 60 H CA 1.587 57.514 56.048 -0.200 0.000 1.140 60 H CB -2.047 27.574 29.762 -0.236 0.000 1.317 60 H HN 0.574 nan 8.280 nan 0.000 0.375 61 H N -1.024 118.007 119.070 -0.064 0.000 2.946 61 H HA 0.602 5.158 4.556 -0.001 0.000 0.365 61 H C 0.451 175.603 175.328 -0.293 0.000 1.197 61 H CA -0.854 55.044 56.048 -0.249 0.000 1.131 61 H CB 2.351 31.845 29.762 -0.448 0.000 1.849 61 H HN -0.021 nan 8.280 nan 0.000 0.555 62 I N 2.018 122.399 120.570 -0.314 0.000 2.436 62 I HA 0.194 4.363 4.170 -0.001 0.000 0.289 62 I C -1.090 174.827 176.117 -0.334 0.000 1.010 62 I CA -0.543 60.655 61.300 -0.171 0.000 1.098 62 I CB 1.327 39.282 38.000 -0.075 0.000 1.266 62 I HN 0.274 nan 8.210 nan 0.000 0.434 63 F N 6.598 126.614 119.950 0.111 0.000 2.382 63 F HA 0.453 4.979 4.527 -0.001 0.000 0.361 63 F C -0.171 175.685 175.800 0.093 0.000 1.109 63 F CA -0.574 57.482 58.000 0.093 0.000 1.031 63 F CB 1.081 40.132 39.000 0.086 0.000 1.234 63 F HN 0.121 nan 8.300 nan 0.000 0.445 64 L N 3.229 124.598 121.223 0.242 0.000 2.305 64 L HA 0.587 4.927 4.340 -0.001 0.000 0.281 64 L C 0.745 177.694 176.870 0.132 0.000 1.085 64 L CA -0.544 54.429 54.840 0.221 0.000 0.813 64 L CB 0.913 43.172 42.059 0.333 0.000 1.157 64 L HN 0.749 nan 8.230 nan 0.000 0.436 65 G N 2.217 111.083 108.800 0.111 0.000 2.377 65 G HA2 0.658 4.618 3.960 -0.001 0.000 0.316 65 G HA3 0.658 4.618 3.960 -0.001 0.000 0.316 65 G C -0.510 174.424 174.900 0.056 0.000 1.115 65 G CA -0.120 45.013 45.100 0.055 0.000 0.952 65 G HN 0.760 nan 8.290 nan 0.000 0.441 66 A N 2.332 125.159 122.820 0.011 0.000 2.435 66 A HA 0.856 5.176 4.320 -0.001 0.000 0.296 66 A C 0.407 178.036 177.584 0.074 0.000 1.147 66 A CA -0.671 51.400 52.037 0.058 0.000 0.775 66 A CB 0.923 19.947 19.000 0.040 0.000 1.340 66 A HN 0.581 nan 8.150 nan 0.000 0.427 67 T N 2.808 117.430 114.554 0.114 0.000 2.758 67 T HA 0.166 4.515 4.350 -0.001 0.000 0.281 67 T C 0.480 175.262 174.700 0.137 0.000 0.963 67 T CA 0.778 62.941 62.100 0.105 0.000 1.201 67 T CB -0.459 68.472 68.868 0.106 0.000 0.906 67 T HN 0.680 nan 8.240 nan 0.000 0.528 68 N N 0.756 119.474 118.700 0.030 0.000 2.863 68 N HA -0.182 4.558 4.740 -0.001 0.000 0.245 68 N C -0.800 174.507 175.510 -0.339 0.000 1.001 68 N CA 1.341 54.324 53.050 -0.112 0.000 0.901 68 N CB -1.197 37.232 38.487 -0.097 0.000 1.124 68 N HN 0.737 nan 8.380 nan 0.000 0.582 69 Y N -0.395 119.855 120.300 -0.083 0.000 2.571 69 Y HA 0.646 5.196 4.550 -0.001 0.000 0.341 69 Y C -0.083 175.642 175.900 -0.292 0.000 1.076 69 Y CA -0.727 57.248 58.100 -0.208 0.000 1.029 69 Y CB 1.619 39.830 38.460 -0.415 0.000 1.308 69 Y HN -0.148 nan 8.280 nan 0.000 0.461 70 I N 2.941 123.471 120.570 -0.065 0.000 2.436 70 I HA 0.374 4.544 4.170 -0.001 0.000 0.289 70 I C -1.258 174.795 176.117 -0.107 0.000 1.010 70 I CA -0.641 60.588 61.300 -0.118 0.000 1.098 70 I CB 1.362 39.321 38.000 -0.068 0.000 1.266 70 I HN 0.525 nan 8.210 nan 0.000 0.434 71 Y N 4.633 125.044 120.300 0.185 0.000 2.496 71 Y HA 0.700 5.250 4.550 -0.001 0.000 0.331 71 Y C -0.188 175.714 175.900 0.003 0.000 1.140 71 Y CA -1.250 56.902 58.100 0.088 0.000 1.166 71 Y CB 1.834 40.310 38.460 0.026 0.000 1.249 71 Y HN 0.091 nan 8.280 nan 0.000 0.479 72 V N 3.634 123.594 119.914 0.077 0.000 2.443 72 V HA 0.432 4.552 4.120 -0.001 0.000 0.293 72 V C -0.560 175.398 176.094 -0.227 0.000 1.021 72 V CA -0.855 61.340 62.300 -0.175 0.000 0.848 72 V CB 1.114 32.830 31.823 -0.178 0.000 0.998 72 V HN 0.558 nan 8.190 nan 0.000 0.424 73 L N 2.659 123.704 121.223 -0.296 0.000 2.322 73 L HA 0.658 4.997 4.340 -0.001 0.000 0.269 73 L C 0.045 176.795 176.870 -0.201 0.000 1.012 73 L CA -0.870 53.788 54.840 -0.304 0.000 0.815 73 L CB 1.549 43.373 42.059 -0.391 0.000 1.295 73 L HN 0.449 nan 8.230 nan 0.000 0.438 74 N N 1.384 119.974 118.700 -0.182 0.000 2.470 74 N HA -0.019 4.721 4.740 -0.001 0.000 0.268 74 N C 0.823 176.202 175.510 -0.219 0.000 1.136 74 N CA 0.183 53.107 53.050 -0.211 0.000 0.961 74 N CB 1.594 39.977 38.487 -0.174 0.000 1.067 74 N HN 0.731 nan 8.380 nan 0.000 0.468 75 E N 2.384 122.444 120.200 -0.234 0.000 2.130 75 E HA -0.265 4.084 4.350 -0.001 0.000 0.196 75 E C 0.919 177.384 176.600 -0.224 0.000 0.998 75 E CA 1.272 57.572 56.400 -0.166 0.000 0.806 75 E CB 0.251 29.916 29.700 -0.058 0.000 0.738 75 E HN 0.557 nan 8.360 nan 0.000 0.459 76 E N 0.514 120.586 120.200 -0.214 0.000 2.046 76 E HA -0.176 4.174 4.350 -0.001 0.000 0.190 76 E C 1.180 177.662 176.600 -0.195 0.000 0.982 76 E CA 1.693 57.969 56.400 -0.206 0.000 0.800 76 E CB 0.104 29.696 29.700 -0.180 0.000 0.756 76 E HN 0.478 nan 8.360 nan 0.000 0.449 77 D N -1.486 118.814 120.400 -0.167 0.000 2.520 77 D HA 0.010 4.650 4.640 -0.001 0.000 0.223 77 D C 0.966 177.197 176.300 -0.115 0.000 1.186 77 D CA -0.114 53.806 54.000 -0.134 0.000 0.821 77 D CB -0.013 40.725 40.800 -0.102 0.000 1.072 77 D HN 0.157 nan 8.370 nan 0.000 0.518 78 L N -0.833 120.306 121.223 -0.141 0.000 4.696 78 L HA -0.248 4.091 4.340 -0.001 0.000 0.425 78 L C 0.124 176.907 176.870 -0.145 0.000 1.115 78 L CA 0.438 55.199 54.840 -0.132 0.000 0.996 78 L CB -2.153 39.874 42.059 -0.053 0.000 2.077 78 L HN 0.292 nan 8.230 nan 0.000 0.792 79 Q N 1.598 121.324 119.800 -0.124 0.000 2.300 79 Q HA 0.108 4.448 4.340 -0.001 0.000 0.280 79 Q C 0.613 176.477 176.000 -0.228 0.000 1.033 79 Q CA 0.572 56.308 55.803 -0.112 0.000 0.903 79 Q CB 0.785 29.482 28.738 -0.069 0.000 1.195 79 Q HN 0.108 nan 8.270 nan 0.000 0.386 80 K N 3.116 123.345 120.400 -0.286 0.000 2.412 80 K HA 0.034 4.354 4.320 -0.001 0.000 0.284 80 K C -0.221 176.299 176.600 -0.134 0.000 1.046 80 K CA -0.139 55.941 56.287 -0.345 0.000 0.999 80 K CB 0.444 32.751 32.500 -0.321 0.000 0.941 80 K HN 0.595 nan 8.250 nan 0.000 0.474 81 V N 3.151 123.007 119.914 -0.097 0.000 2.672 81 V HA 0.170 4.289 4.120 -0.001 0.000 0.242 81 V C 0.427 176.541 176.094 0.034 0.000 1.059 81 V CA 1.079 63.377 62.300 -0.002 0.000 1.081 81 V CB 0.368 32.219 31.823 0.047 0.000 0.752 81 V HN 0.878 nan 8.190 nan 0.000 0.472 82 A N 0.516 123.353 122.820 0.028 0.000 2.539 82 A HA 0.741 5.061 4.320 -0.001 0.000 0.296 82 A C -0.939 176.742 177.584 0.162 0.000 1.073 82 A CA -0.637 51.452 52.037 0.086 0.000 0.700 82 A CB 1.470 20.507 19.000 0.062 0.000 1.296 82 A HN 0.307 nan 8.150 nan 0.000 0.405 83 E N 0.416 120.750 120.200 0.222 0.000 2.320 83 E HA 0.652 5.001 4.350 -0.001 0.000 0.264 83 E C -1.785 175.021 176.600 0.344 0.000 0.923 83 E CA -0.660 55.951 56.400 0.352 0.000 0.796 83 E CB 2.351 32.310 29.700 0.431 0.000 1.262 83 E HN 0.709 nan 8.360 nan 0.000 0.428 84 Y N 0.837 121.255 120.300 0.197 0.000 2.433 84 Y HA 0.326 4.875 4.550 -0.001 0.000 0.337 84 Y C -1.637 174.287 175.900 0.039 0.000 1.026 84 Y CA -1.161 57.006 58.100 0.112 0.000 1.037 84 Y CB 1.747 40.246 38.460 0.065 0.000 1.245 84 Y HN 0.369 nan 8.280 nan 0.000 0.443 85 K N 2.904 123.083 120.400 -0.369 0.000 2.263 85 K HA 0.223 4.543 4.320 -0.001 0.000 0.282 85 K C 0.629 176.974 176.600 -0.424 0.000 1.089 85 K CA -0.167 55.790 56.287 -0.550 0.000 0.907 85 K CB 0.836 33.051 32.500 -0.474 0.000 1.148 85 K HN 0.640 nan 8.250 nan 0.000 0.470 86 T N -0.051 114.383 114.554 -0.201 0.000 3.129 86 T HA 0.101 4.451 4.350 -0.001 0.000 0.251 86 T C 0.997 175.575 174.700 -0.203 0.000 1.117 86 T CA 0.030 62.110 62.100 -0.034 0.000 1.034 86 T CB -0.694 68.203 68.868 0.049 0.000 0.968 86 T HN 0.708 nan 8.240 nan 0.000 0.526 87 G N 3.353 111.904 108.800 -0.414 0.000 3.501 87 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.293 87 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.293 87 G C -2.250 172.469 174.900 -0.301 0.000 0.790 87 G CA -0.453 44.409 45.100 -0.396 0.000 1.092 87 G HN 0.463 nan 8.290 nan 0.000 0.373 88 P HA 0.122 nan 4.420 nan 0.000 0.263 88 P C -0.120 176.879 177.300 -0.501 0.000 1.168 88 P CA 0.090 62.927 63.100 -0.438 0.000 0.759 88 P CB 0.751 32.057 31.700 -0.657 0.000 0.782 89 V N 4.234 123.924 119.914 -0.373 0.000 2.962 89 V HA 0.348 4.468 4.120 -0.001 0.000 0.313 89 V C 0.058 176.101 176.094 -0.084 0.000 1.099 89 V CA -1.013 61.159 62.300 -0.214 0.000 0.971 89 V CB 2.426 34.192 31.823 -0.096 0.000 1.028 89 V HN 0.414 nan 8.190 nan 0.000 0.430 90 L N 3.824 125.102 121.223 0.092 0.000 2.257 90 L HA 0.551 4.891 4.340 -0.001 0.000 0.290 90 L C 0.106 177.107 176.870 0.219 0.000 1.044 90 L CA 0.090 55.103 54.840 0.288 0.000 0.810 90 L CB 0.794 43.105 42.059 0.419 0.000 1.193 90 L HN 0.585 nan 8.230 nan 0.000 0.425 91 E N 4.746 125.082 120.200 0.227 0.000 2.301 91 E HA 0.293 4.643 4.350 -0.001 0.000 0.275 91 E C -0.928 175.850 176.600 0.298 0.000 1.030 91 E CA -0.215 56.316 56.400 0.218 0.000 0.852 91 E CB 1.261 31.068 29.700 0.178 0.000 1.060 91 E HN 0.616 nan 8.360 nan 0.000 0.401 92 H N 1.553 120.716 119.070 0.156 0.000 3.094 92 H HA 0.131 4.687 4.556 -0.001 0.000 0.346 92 H C -2.086 173.357 175.328 0.192 0.000 1.238 92 H CA -1.363 54.776 56.048 0.151 0.000 1.209 92 H CB 2.368 32.213 29.762 0.138 0.000 1.911 92 H HN 0.150 nan 8.280 nan 0.000 0.540 93 P HA -0.071 nan 4.420 nan 0.000 0.216 93 P C 0.444 177.915 177.300 0.285 0.000 1.153 93 P CA 1.179 64.293 63.100 0.023 0.000 0.848 93 P CB 0.495 32.111 31.700 -0.139 0.000 0.787 94 D N -1.637 118.961 120.400 0.330 0.000 2.162 94 D HA -0.056 4.584 4.640 -0.001 0.000 0.203 94 D C 0.435 176.999 176.300 0.439 0.000 0.967 94 D CA 0.553 54.804 54.000 0.417 0.000 0.840 94 D CB -0.802 40.242 40.800 0.407 0.000 0.972 94 D HN 0.103 nan 8.370 nan 0.000 0.482 95 c N 1.710 120.619 118.600 0.515 0.000 2.520 95 c HA 0.238 4.808 4.570 -0.001 0.000 0.369 95 c C 0.365 174.730 174.090 0.459 0.000 1.244 95 c CA -0.689 55.849 56.329 0.349 0.000 1.677 95 c CB -2.221 40.425 42.510 0.227 0.000 2.324 95 c HN 0.079 nan 8.230 nan 0.000 0.557 96 F N 6.142 126.141 119.950 0.082 0.000 2.368 96 F HA 0.314 4.841 4.527 -0.001 0.000 0.308 96 F C -0.963 174.835 175.800 -0.002 0.000 1.198 96 F CA -1.905 56.131 58.000 0.061 0.000 1.130 96 F CB 0.865 39.875 39.000 0.017 0.000 1.300 96 F HN 0.441 nan 8.300 nan 0.000 0.537 97 P HA 0.005 nan 4.420 nan 0.000 0.231 97 P C 0.559 177.888 177.300 0.047 0.000 1.168 97 P CA 1.026 64.147 63.100 0.036 0.000 0.779 97 P CB 0.181 31.930 31.700 0.083 0.000 0.844 98 c N -1.422 117.132 118.600 -0.077 0.000 3.392 98 c HA 0.203 4.772 4.570 -0.001 0.000 0.301 98 c C 0.744 174.808 174.090 -0.043 0.000 1.354 98 c CA -0.099 56.207 56.329 -0.038 0.000 1.732 98 c CB -1.207 41.280 42.510 -0.038 0.000 2.269 98 c HN 0.263 nan 8.230 nan 0.000 0.673 99 Q N 1.282 121.057 119.800 -0.040 0.000 2.241 99 Q HA 0.571 4.911 4.340 -0.001 0.000 0.254 99 Q C -0.816 175.195 176.000 0.018 0.000 0.917 99 Q CA -0.195 55.599 55.803 -0.015 0.000 0.919 99 Q CB 1.030 29.755 28.738 -0.023 0.000 1.237 99 Q HN 0.473 nan 8.270 nan 0.000 0.434 100 D N 0.977 121.385 120.400 0.012 0.000 2.326 100 D HA 0.602 5.242 4.640 -0.001 0.000 0.248 100 D C -0.954 175.360 176.300 0.024 0.000 1.001 100 D CA -0.863 53.151 54.000 0.024 0.000 0.961 100 D CB 1.566 42.375 40.800 0.014 0.000 1.183 100 D HN 0.837 nan 8.370 nan 0.000 0.502 101 c N 0.629 119.252 118.600 0.038 0.000 2.620 101 c HA 0.676 5.246 4.570 -0.001 0.000 0.356 101 c C 0.496 174.618 174.090 0.054 0.000 1.082 101 c CA -0.474 55.873 56.329 0.030 0.000 1.293 101 c CB 0.350 42.867 42.510 0.012 0.000 1.836 101 c HN 0.588 nan 8.230 nan 0.000 0.453 102 S N 0.683 116.408 115.700 0.042 0.000 2.557 102 S HA 0.018 4.488 4.470 -0.001 0.000 0.223 102 S C 1.148 175.751 174.600 0.004 0.000 0.969 102 S CA 0.557 58.784 58.200 0.046 0.000 0.927 102 S CB -0.076 63.157 63.200 0.055 0.000 0.806 102 S HN 1.244 nan 8.310 nan 0.000 0.489 103 S N 0.962 116.656 115.700 -0.010 0.000 2.710 103 S HA 0.301 4.771 4.470 -0.001 0.000 0.224 103 S C 0.885 175.446 174.600 -0.065 0.000 0.948 103 S CA -0.242 57.939 58.200 -0.031 0.000 0.949 103 S CB -0.114 63.069 63.200 -0.028 0.000 0.778 103 S HN 0.217 nan 8.310 nan 0.000 0.498 104 K N -0.521 119.830 120.400 -0.081 0.000 2.614 104 K HA 0.401 4.721 4.320 -0.001 0.000 0.190 104 K C 1.272 177.799 176.600 -0.122 0.000 1.255 104 K CA 0.631 56.824 56.287 -0.157 0.000 1.099 104 K CB 0.270 32.571 32.500 -0.332 0.000 1.023 104 K HN 0.290 nan 8.250 nan 0.000 0.576 105 A N 1.302 124.083 122.820 -0.065 0.000 2.032 105 A HA -0.171 4.149 4.320 -0.001 0.000 0.221 105 A C 1.559 179.066 177.584 -0.128 0.000 1.165 105 A CA 1.453 53.446 52.037 -0.073 0.000 0.645 105 A CB -0.316 18.661 19.000 -0.039 0.000 0.807 105 A HN 0.306 nan 8.150 nan 0.000 0.453 106 N N -0.110 118.531 118.700 -0.097 0.000 2.457 106 N HA 0.115 4.855 4.740 -0.001 0.000 0.180 106 N C 0.021 175.489 175.510 -0.069 0.000 1.050 106 N CA 0.966 53.963 53.050 -0.088 0.000 0.906 106 N CB -0.421 38.028 38.487 -0.063 0.000 0.968 106 N HN 0.715 nan 8.380 nan 0.000 0.445 107 L N -1.882 119.306 121.223 -0.058 0.000 1.299 107 L HA -0.205 4.134 4.340 -0.001 0.000 0.392 107 L C 0.427 177.320 176.870 0.039 0.000 1.003 107 L CA 0.092 54.931 54.840 -0.000 0.000 1.227 107 L CB -1.713 40.347 42.059 0.001 0.000 0.619 107 L HN -0.206 nan 8.230 nan 0.000 0.333 108 S N 1.349 117.118 115.700 0.114 0.000 2.539 108 S HA 0.568 5.038 4.470 -0.001 0.000 0.226 108 S C 0.915 175.566 174.600 0.084 0.000 1.054 108 S CA 0.445 58.698 58.200 0.089 0.000 0.910 108 S CB 0.359 63.612 63.200 0.089 0.000 0.818 108 S HN 1.509 nan 8.310 nan 0.000 0.490 109 G N 0.636 109.516 108.800 0.132 0.000 5.072 109 G HA2 0.496 4.455 3.960 -0.001 0.000 0.208 109 G HA3 0.496 4.455 3.960 -0.001 0.000 0.208 109 G C -0.237 174.714 174.900 0.085 0.000 0.804 109 G CA 0.085 45.219 45.100 0.058 0.000 0.619 109 G HN 0.475 nan 8.290 nan 0.000 0.427 110 G N -0.308 108.616 108.800 0.207 0.000 2.643 110 G HA2 0.622 4.581 3.960 -0.001 0.000 0.305 110 G HA3 0.622 4.581 3.960 -0.001 0.000 0.305 110 G C -1.231 173.782 174.900 0.188 0.000 1.387 110 G CA -0.699 44.586 45.100 0.307 0.000 0.982 110 G HN 0.634 nan 8.290 nan 0.000 0.501 111 V N 2.963 122.991 119.914 0.192 0.000 2.630 111 V HA 0.692 4.811 4.120 -0.001 0.000 0.305 111 V C -1.020 175.253 176.094 0.299 0.000 1.046 111 V CA -1.096 61.319 62.300 0.191 0.000 0.934 111 V CB 1.696 33.608 31.823 0.149 0.000 1.003 111 V HN 0.688 nan 8.190 nan 0.000 0.451 112 W N 5.400 126.734 121.300 0.057 0.000 2.316 112 W HA 0.612 5.271 4.660 -0.001 0.000 0.311 112 W C 0.052 176.599 176.519 0.048 0.000 1.217 112 W CA -0.592 56.781 57.345 0.048 0.000 1.199 112 W CB 1.047 30.530 29.460 0.039 0.000 1.202 112 W HN 0.440 nan 8.180 nan 0.000 0.528 113 K N 2.414 122.868 120.400 0.090 0.000 2.422 113 K HA 0.242 4.562 4.320 -0.001 0.000 0.251 113 K C -1.162 175.408 176.600 -0.050 0.000 0.933 113 K CA -0.621 55.690 56.287 0.039 0.000 0.798 113 K CB 1.239 33.779 32.500 0.066 0.000 1.238 113 K HN 0.107 nan 8.250 nan 0.000 0.428 114 D N 1.295 121.684 120.400 -0.017 0.000 2.351 114 D HA 0.070 4.710 4.640 -0.001 0.000 0.251 114 D C -0.469 175.819 176.300 -0.020 0.000 1.137 114 D CA 0.137 54.119 54.000 -0.029 0.000 0.879 114 D CB 0.689 41.495 40.800 0.009 0.000 1.181 114 D HN 0.281 nan 8.370 nan 0.000 0.448 115 N N 3.235 121.912 118.700 -0.038 0.000 3.083 115 N HA 0.129 4.868 4.740 -0.001 0.000 0.260 115 N C -0.863 174.647 175.510 0.000 0.000 1.163 115 N CA -0.467 52.568 53.050 -0.026 0.000 1.060 115 N CB -0.359 38.096 38.487 -0.053 0.000 1.345 115 N HN 0.313 nan 8.380 nan 0.000 0.515 116 I N 1.579 122.159 120.570 0.017 0.000 2.668 116 I HA -0.052 4.118 4.170 -0.001 0.000 0.285 116 I C 1.328 177.465 176.117 0.033 0.000 1.168 116 I CA 0.122 61.441 61.300 0.033 0.000 1.424 116 I CB 0.174 38.198 38.000 0.040 0.000 1.377 116 I HN 0.350 nan 8.210 nan 0.000 0.560 117 N N 6.911 125.635 118.700 0.040 0.000 2.475 117 N HA 0.056 4.796 4.740 -0.001 0.000 0.267 117 N C 0.384 175.924 175.510 0.051 0.000 1.169 117 N CA 0.024 53.099 53.050 0.042 0.000 0.947 117 N CB 0.728 39.243 38.487 0.046 0.000 1.061 117 N HN 0.584 nan 8.380 nan 0.000 0.466 118 M N 1.629 121.257 119.600 0.047 0.000 2.638 118 M HA 0.251 4.730 4.480 -0.001 0.000 0.256 118 M C 0.291 176.630 176.300 0.064 0.000 1.282 118 M CA 0.210 55.543 55.300 0.056 0.000 1.155 118 M CB 0.012 32.638 32.600 0.044 0.000 1.345 118 M HN 0.464 nan 8.290 nan 0.000 0.523 119 A N 1.022 123.878 122.820 0.060 0.000 2.556 119 A HA 0.807 5.127 4.320 -0.001 0.000 0.294 119 A C -1.753 175.868 177.584 0.062 0.000 1.091 119 A CA -0.554 51.524 52.037 0.068 0.000 0.704 119 A CB 2.240 21.287 19.000 0.078 0.000 1.300 119 A HN 0.216 nan 8.150 nan 0.000 0.406 120 L N 1.130 122.387 121.223 0.057 0.000 2.639 120 L HA 0.620 4.960 4.340 -0.001 0.000 0.264 120 L C -1.794 175.088 176.870 0.020 0.000 0.948 120 L CA -0.058 54.806 54.840 0.039 0.000 0.912 120 L CB 1.850 43.937 42.059 0.046 0.000 1.294 120 L HN 0.569 nan 8.230 nan 0.000 0.412 121 V N 5.324 125.240 119.914 0.004 0.000 2.577 121 V HA 0.519 4.639 4.120 -0.001 0.000 0.303 121 V C -0.428 175.628 176.094 -0.065 0.000 1.042 121 V CA -0.785 61.500 62.300 -0.025 0.000 0.872 121 V CB 2.258 34.068 31.823 -0.021 0.000 0.998 121 V HN 0.461 nan 8.190 nan 0.000 0.423 122 V N 4.264 124.119 119.914 -0.098 0.000 2.498 122 V HA 0.391 4.511 4.120 -0.001 0.000 0.279 122 V C -0.271 175.765 176.094 -0.098 0.000 1.048 122 V CA 0.089 62.286 62.300 -0.170 0.000 0.967 122 V CB 1.856 33.525 31.823 -0.257 0.000 0.988 122 V HN 1.077 nan 8.190 nan 0.000 0.473 123 D N 3.006 123.356 120.400 -0.084 0.000 2.481 123 D HA 0.475 5.115 4.640 -0.001 0.000 0.244 123 D C 0.046 176.354 176.300 0.013 0.000 1.057 123 D CA -0.274 53.718 54.000 -0.013 0.000 0.848 123 D CB 2.478 43.293 40.800 0.026 0.000 1.388 123 D HN 0.394 nan 8.370 nan 0.000 0.475 124 T N 1.915 116.510 114.554 0.069 0.000 3.130 124 T HA 0.006 4.356 4.350 -0.001 0.000 0.288 124 T C 0.312 175.109 174.700 0.162 0.000 0.936 124 T CA -0.183 61.987 62.100 0.117 0.000 0.897 124 T CB -0.335 68.614 68.868 0.134 0.000 1.178 124 T HN 0.466 nan 8.240 nan 0.000 0.543 125 Y N 1.106 121.405 120.300 -0.001 0.000 2.153 125 Y HA 0.244 4.794 4.550 -0.000 0.000 0.289 125 Y C 0.614 176.593 175.900 0.133 0.000 1.127 125 Y CA 0.608 58.706 58.100 -0.003 0.000 1.131 125 Y CB -0.074 38.298 38.460 -0.147 0.000 0.995 125 Y HN 0.279 nan 8.280 nan 0.000 0.505 126 Y N 0.757 121.086 120.300 0.049 0.000 2.286 126 Y HA 0.102 4.652 4.550 -0.000 0.000 0.347 126 Y C 0.387 176.272 175.900 -0.024 0.000 1.351 126 Y CA -1.136 56.934 58.100 -0.050 0.000 1.640 126 Y CB 0.058 38.513 38.460 -0.008 0.000 1.560 126 Y HN -0.055 nan 8.280 nan 0.000 0.574 127 D N 0.947 121.438 120.400 0.152 0.000 2.458 127 D HA -0.007 4.632 4.640 -0.001 0.000 0.243 127 D C -1.170 175.168 176.300 0.063 0.000 1.146 127 D CA 0.213 54.261 54.000 0.081 0.000 0.877 127 D CB 0.222 41.047 40.800 0.041 0.000 1.176 127 D HN 0.220 nan 8.370 nan 0.000 0.461 128 D N 2.614 123.064 120.400 0.083 0.000 2.586 128 D HA 0.013 4.652 4.640 -0.001 0.000 0.234 128 D C 0.021 176.302 176.300 -0.031 0.000 1.132 128 D CA 0.692 54.774 54.000 0.137 0.000 0.860 128 D CB 0.226 41.243 40.800 0.362 0.000 1.159 128 D HN 0.354 nan 8.370 nan 0.000 0.490 129 Q N 0.401 120.070 119.800 -0.217 0.000 2.391 129 Q HA 0.525 4.865 4.340 -0.001 0.000 0.279 129 Q C -1.508 174.157 176.000 -0.559 0.000 1.028 129 Q CA -1.204 54.286 55.803 -0.522 0.000 0.836 129 Q CB 1.437 30.033 28.738 -0.238 0.000 1.414 129 Q HN 0.235 nan 8.270 nan 0.000 0.397 130 L N 2.619 123.391 121.223 -0.752 0.000 2.265 130 L HA 0.508 4.847 4.340 -0.001 0.000 0.288 130 L C -1.246 175.534 176.870 -0.149 0.000 1.058 130 L CA -0.344 54.225 54.840 -0.451 0.000 0.809 130 L CB 0.908 42.619 42.059 -0.580 0.000 1.179 130 L HN 0.711 nan 8.230 nan 0.000 0.429 131 I N 4.543 125.080 120.570 -0.057 0.000 2.336 131 I HA 0.416 4.586 4.170 -0.001 0.000 0.292 131 I C -0.188 175.976 176.117 0.078 0.000 0.991 131 I CA -0.184 61.154 61.300 0.063 0.000 1.227 131 I CB 1.492 39.602 38.000 0.183 0.000 1.366 131 I HN 0.748 nan 8.210 nan 0.000 0.466 132 S N 5.058 120.814 115.700 0.093 0.000 2.536 132 S HA 0.649 5.118 4.470 -0.001 0.000 0.287 132 S C -1.026 173.614 174.600 0.067 0.000 1.101 132 S CA -0.710 57.534 58.200 0.073 0.000 0.950 132 S CB 1.710 64.943 63.200 0.055 0.000 1.056 132 S HN 0.597 nan 8.310 nan 0.000 0.481 133 c N 2.772 121.405 118.600 0.055 0.000 2.356 133 c HA 0.837 5.406 4.570 -0.001 0.000 0.324 133 c C 1.103 175.204 174.090 0.019 0.000 1.167 133 c CA -0.669 55.678 56.329 0.029 0.000 1.420 133 c CB 0.064 42.589 42.510 0.025 0.000 2.036 133 c HN 1.142 nan 8.230 nan 0.000 0.435 134 G N 1.643 110.448 108.800 0.009 0.000 2.562 134 G HA2 0.416 4.375 3.960 -0.001 0.000 0.275 134 G HA3 0.416 4.375 3.960 -0.001 0.000 0.275 134 G C 0.839 175.735 174.900 -0.008 0.000 1.196 134 G CA 0.057 45.160 45.100 0.006 0.000 0.908 134 G HN 0.864 nan 8.290 nan 0.000 0.524 135 S N -0.860 114.840 115.700 -0.001 0.000 2.603 135 S HA -0.001 4.469 4.470 -0.001 0.000 0.220 135 S C 1.574 176.164 174.600 -0.017 0.000 0.967 135 S CA 0.681 58.879 58.200 -0.004 0.000 0.920 135 S CB 0.425 63.633 63.200 0.014 0.000 0.773 135 S HN 0.313 nan 8.310 nan 0.000 0.529 136 V N 1.460 121.361 119.914 -0.022 0.000 2.806 136 V HA 0.262 4.381 4.120 -0.001 0.000 0.239 136 V C 0.417 176.495 176.094 -0.027 0.000 1.113 136 V CA 0.511 62.803 62.300 -0.013 0.000 1.137 136 V CB -0.064 31.755 31.823 -0.007 0.000 0.865 136 V HN 0.409 nan 8.190 nan 0.000 0.482 137 N N 1.851 120.524 118.700 -0.044 0.000 3.209 137 N HA 0.183 4.923 4.740 -0.001 0.000 0.309 137 N C -0.061 175.355 175.510 -0.156 0.000 1.384 137 N CA -0.087 52.926 53.050 -0.062 0.000 1.173 137 N CB 0.158 38.634 38.487 -0.019 0.000 1.460 137 N HN 0.146 nan 8.380 nan 0.000 0.534 138 R N 0.219 120.587 120.500 -0.219 0.000 3.651 138 R HA -0.163 4.177 4.340 -0.001 0.000 0.292 138 R C 0.315 176.456 176.300 -0.265 0.000 1.161 138 R CA 0.719 56.611 56.100 -0.348 0.000 0.787 138 R CB -2.259 27.691 30.300 -0.584 0.000 1.249 138 R HN 0.721 nan 8.270 nan 0.000 0.476 139 G N -0.026 108.673 108.800 -0.169 0.000 2.353 139 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.294 139 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.294 139 G C -0.124 174.684 174.900 -0.154 0.000 1.077 139 G CA 0.655 45.672 45.100 -0.138 0.000 1.098 139 G HN 0.490 nan 8.290 nan 0.000 0.511 140 T N 0.519 115.005 114.554 -0.113 0.000 2.864 140 T HA 0.476 4.826 4.350 -0.001 0.000 0.310 140 T C 0.899 175.577 174.700 -0.036 0.000 1.040 140 T CA -0.092 61.952 62.100 -0.093 0.000 0.977 140 T CB 0.069 68.902 68.868 -0.057 0.000 0.976 140 T HN 0.577 nan 8.240 nan 0.000 0.459 141 c N 5.300 123.883 118.600 -0.028 0.000 2.657 141 c HA 0.491 5.060 4.570 -0.001 0.000 0.404 141 c C 0.565 174.672 174.090 0.029 0.000 1.291 141 c CA -0.724 55.619 56.329 0.023 0.000 2.218 141 c CB -0.141 42.411 42.510 0.071 0.000 2.687 141 c HN 0.819 nan 8.230 nan 0.000 0.634 142 Q N 1.741 121.537 119.800 -0.007 0.000 2.387 142 Q HA 0.658 4.998 4.340 -0.001 0.000 0.273 142 Q C -1.217 174.697 176.000 -0.143 0.000 1.089 142 Q CA -0.832 54.915 55.803 -0.092 0.000 0.824 142 Q CB 1.465 30.091 28.738 -0.188 0.000 1.367 142 Q HN 0.782 nan 8.270 nan 0.000 0.443 143 R N 1.235 121.630 120.500 -0.176 0.000 2.346 143 R HA 0.460 4.799 4.340 -0.001 0.000 0.311 143 R C -0.735 175.352 176.300 -0.356 0.000 0.983 143 R CA -0.734 55.261 56.100 -0.174 0.000 0.880 143 R CB 1.076 31.328 30.300 -0.080 0.000 1.100 143 R HN 0.627 nan 8.270 nan 0.000 0.453 144 H N 2.469 121.370 119.070 -0.283 0.000 2.556 144 H HA 0.215 4.770 4.556 -0.001 0.000 0.310 144 H C -0.400 174.654 175.328 -0.456 0.000 1.057 144 H CA -0.798 55.041 56.048 -0.349 0.000 1.264 144 H CB 1.913 31.421 29.762 -0.423 0.000 1.404 144 H HN 0.252 nan 8.280 nan 0.000 0.462 145 V N 5.706 125.492 119.914 -0.213 0.000 2.348 145 V HA 0.107 4.227 4.120 -0.001 0.000 0.270 145 V C 0.253 176.248 176.094 -0.166 0.000 1.037 145 V CA -0.588 61.569 62.300 -0.237 0.000 0.872 145 V CB -0.241 31.544 31.823 -0.064 0.000 1.002 145 V HN 0.559 nan 8.190 nan 0.000 0.464 146 F N 6.099 126.026 119.950 -0.038 0.000 2.578 146 F HA 0.221 4.747 4.527 -0.001 0.000 0.381 146 F C -1.457 174.305 175.800 -0.063 0.000 1.069 146 F CA -1.660 56.317 58.000 -0.037 0.000 1.231 146 F CB 0.015 39.002 39.000 -0.021 0.000 1.086 146 F HN 0.327 nan 8.300 nan 0.000 0.564 147 P HA -0.060 nan 4.420 nan 0.000 0.270 147 P C 0.393 177.758 177.300 0.108 0.000 1.223 147 P CA -0.086 63.086 63.100 0.120 0.000 0.785 147 P CB 0.431 32.225 31.700 0.157 0.000 0.923 148 H N 0.794 119.944 119.070 0.133 0.000 2.562 148 H HA 0.020 4.576 4.556 -0.000 0.000 0.274 148 H C 0.485 175.875 175.328 0.104 0.000 1.038 148 H CA 1.049 57.166 56.048 0.116 0.000 1.161 148 H CB -0.064 29.750 29.762 0.086 0.000 1.318 148 H HN 0.382 nan 8.280 nan 0.000 0.617 149 N N -1.581 117.235 118.700 0.193 0.000 2.271 149 N HA -0.072 4.668 4.740 -0.001 0.000 0.267 149 N C 0.066 175.678 175.510 0.170 0.000 0.987 149 N CA -0.204 52.940 53.050 0.155 0.000 0.824 149 N CB 0.534 39.097 38.487 0.126 0.000 1.775 149 N HN 0.254 nan 8.380 nan 0.000 0.728 150 H N 0.598 119.705 119.070 0.061 0.000 3.026 150 H HA 0.090 4.645 4.556 -0.001 0.000 0.289 150 H C 0.068 175.393 175.328 -0.005 0.000 1.022 150 H CA 0.654 56.722 56.048 0.034 0.000 1.477 150 H CB 0.755 30.550 29.762 0.054 0.000 1.510 150 H HN 0.133 nan 8.280 nan 0.000 0.535 151 T N 3.659 118.190 114.554 -0.039 0.000 3.044 151 T HA 0.060 4.410 4.350 -0.001 0.000 0.250 151 T C 1.662 176.083 174.700 -0.465 0.000 1.081 151 T CA 0.537 62.411 62.100 -0.377 0.000 1.040 151 T CB 0.323 68.915 68.868 -0.459 0.000 0.962 151 T HN 0.674 nan 8.240 nan 0.000 0.506 152 A N 1.034 123.534 122.820 -0.532 0.000 2.278 152 A HA 0.159 4.479 4.320 -0.001 0.000 0.212 152 A C 0.902 178.307 177.584 -0.298 0.000 1.213 152 A CA 0.000 51.790 52.037 -0.412 0.000 0.840 152 A CB -0.089 18.732 19.000 -0.299 0.000 0.866 152 A HN 0.173 nan 8.150 nan 0.000 0.489 153 D N 0.958 121.180 120.400 -0.297 0.000 2.631 153 D HA 0.165 4.804 4.640 -0.001 0.000 0.227 153 D C 0.732 177.113 176.300 0.135 0.000 1.146 153 D CA -0.344 53.592 54.000 -0.107 0.000 1.009 153 D CB -0.092 40.648 40.800 -0.100 0.000 1.057 153 D HN 0.141 nan 8.370 nan 0.000 0.509 154 I N 1.629 122.292 120.570 0.154 0.000 3.241 154 I HA -0.143 4.026 4.170 -0.001 0.000 0.280 154 I C 1.772 178.007 176.117 0.197 0.000 1.320 154 I CA 0.845 62.199 61.300 0.089 0.000 1.413 154 I CB -0.595 37.402 38.000 -0.005 0.000 1.060 154 I HN 0.389 nan 8.210 nan 0.000 0.500 155 Q N 0.195 120.132 119.800 0.228 0.000 2.511 155 Q HA -0.032 4.308 4.340 -0.001 0.000 0.236 155 Q C 2.310 178.429 176.000 0.199 0.000 0.893 155 Q CA 1.137 57.139 55.803 0.331 0.000 0.947 155 Q CB 0.086 28.972 28.738 0.247 0.000 1.110 155 Q HN 0.321 nan 8.270 nan 0.000 0.591 156 S N -0.311 115.461 115.700 0.120 0.000 2.371 156 S HA -0.102 4.367 4.470 -0.001 0.000 0.224 156 S C 0.747 175.357 174.600 0.016 0.000 1.029 156 S CA 0.862 59.105 58.200 0.072 0.000 0.978 156 S CB -0.140 63.106 63.200 0.077 0.000 0.833 156 S HN 0.425 nan 8.310 nan 0.000 0.466 157 E N 0.565 120.757 120.200 -0.013 0.000 2.207 157 E HA 0.527 4.877 4.350 -0.001 0.000 0.250 157 E C -1.922 174.547 176.600 -0.219 0.000 0.890 157 E CA -0.592 55.736 56.400 -0.120 0.000 0.749 157 E CB 1.632 31.299 29.700 -0.055 0.000 1.193 157 E HN 0.236 nan 8.360 nan 0.000 0.423 158 V N 5.613 125.316 119.914 -0.352 0.000 2.482 158 V HA 0.312 4.432 4.120 -0.001 0.000 0.295 158 V C -0.721 175.088 176.094 -0.474 0.000 1.026 158 V CA -0.809 61.252 62.300 -0.399 0.000 0.856 158 V CB 1.631 33.267 31.823 -0.311 0.000 1.001 158 V HN 0.671 nan 8.190 nan 0.000 0.424 159 H N 2.115 121.071 119.070 -0.190 0.000 2.466 159 H HA 0.352 4.907 4.556 -0.001 0.000 0.338 159 H C -0.204 175.042 175.328 -0.137 0.000 1.091 159 H CA -0.515 55.455 56.048 -0.130 0.000 1.207 159 H CB 2.020 31.718 29.762 -0.107 0.000 1.466 159 H HN 0.714 nan 8.280 nan 0.000 0.493 160 c N 4.684 123.295 118.600 0.020 0.000 2.652 160 c HA 0.271 4.841 4.570 -0.001 0.000 0.412 160 c C 0.755 174.872 174.090 0.045 0.000 1.294 160 c CA -0.409 55.927 56.329 0.013 0.000 2.127 160 c CB -1.218 41.302 42.510 0.018 0.000 2.691 160 c HN 0.661 nan 8.230 nan 0.000 0.615 161 I N 6.474 127.077 120.570 0.056 0.000 2.388 161 I HA 0.337 4.506 4.170 -0.001 0.000 0.281 161 I C -0.378 175.830 176.117 0.152 0.000 1.046 161 I CA 0.188 61.525 61.300 0.062 0.000 1.187 161 I CB 0.058 38.078 38.000 0.033 0.000 1.351 161 I HN 0.643 nan 8.210 nan 0.000 0.472 162 F N 5.360 125.287 119.950 -0.038 0.000 3.228 162 F HA 0.288 4.814 4.527 -0.001 0.000 0.385 162 F C -0.412 175.368 175.800 -0.033 0.000 1.247 162 F CA -0.565 57.411 58.000 -0.040 0.000 1.211 162 F CB 1.222 40.189 39.000 -0.054 0.000 1.719 162 F HN 0.317 nan 8.300 nan 0.000 0.630 163 S N 6.987 122.919 115.700 0.387 0.000 2.523 163 S HA 0.419 4.889 4.470 -0.001 0.000 0.275 163 S C -2.304 172.547 174.600 0.418 0.000 1.281 163 S CA -1.285 57.080 58.200 0.274 0.000 1.050 163 S CB 0.701 63.947 63.200 0.076 0.000 0.937 163 S HN 0.464 nan 8.310 nan 0.000 0.492 164 P HA 0.139 nan 4.420 nan 0.000 0.271 164 P C -1.045 176.394 177.300 0.231 0.000 1.216 164 P CA -0.352 62.967 63.100 0.365 0.000 0.776 164 P CB 0.442 32.240 31.700 0.164 0.000 0.881 165 Q N 1.879 121.818 119.800 0.231 0.000 2.303 165 Q HA 0.383 4.723 4.340 -0.001 0.000 0.257 165 Q C 0.078 176.140 176.000 0.103 0.000 0.941 165 Q CA 0.025 55.905 55.803 0.129 0.000 0.931 165 Q CB 0.942 29.743 28.738 0.106 0.000 1.215 165 Q HN 0.336 nan 8.270 nan 0.000 0.437 166 I N 1.977 122.590 120.570 0.072 0.000 4.033 166 I HA 0.058 4.228 4.170 -0.001 0.000 0.296 166 I C 1.292 177.438 176.117 0.047 0.000 1.210 166 I CA 0.329 61.665 61.300 0.059 0.000 1.341 166 I CB 0.408 38.438 38.000 0.050 0.000 1.369 166 I HN 0.572 nan 8.210 nan 0.000 0.453 167 E N 0.879 121.103 120.200 0.041 0.000 2.006 167 E HA -0.055 4.294 4.350 -0.001 0.000 0.192 167 E C 0.527 177.152 176.600 0.042 0.000 0.993 167 E CA 1.034 57.456 56.400 0.036 0.000 0.808 167 E CB -0.108 29.611 29.700 0.030 0.000 0.764 167 E HN 0.248 nan 8.360 nan 0.000 0.449 168 E N 0.734 120.964 120.200 0.051 0.000 2.546 168 E HA 0.177 4.527 4.350 -0.001 0.000 0.227 168 E C -2.091 174.547 176.600 0.063 0.000 1.009 168 E CA -1.863 54.572 56.400 0.058 0.000 0.813 168 E CB 1.296 31.038 29.700 0.070 0.000 1.269 168 E HN -0.042 nan 8.360 nan 0.000 0.432 169 P HA -0.070 nan 4.420 nan 0.000 0.236 169 P C 0.878 178.213 177.300 0.059 0.000 1.172 169 P CA 0.784 63.926 63.100 0.069 0.000 0.759 169 P CB 0.366 32.107 31.700 0.068 0.000 0.843 170 S N -2.357 113.375 115.700 0.053 0.000 2.425 170 S HA -0.005 4.465 4.470 -0.001 0.000 0.225 170 S C 1.137 175.762 174.600 0.042 0.000 1.024 170 S CA 0.479 58.705 58.200 0.042 0.000 0.951 170 S CB -0.378 62.848 63.200 0.043 0.000 0.796 170 S HN 0.141 nan 8.310 nan 0.000 0.498 171 Q N 0.404 120.245 119.800 0.068 0.000 2.317 171 Q HA 0.398 4.738 4.340 -0.001 0.000 0.229 171 Q C -0.662 175.369 176.000 0.051 0.000 0.984 171 Q CA -0.372 55.487 55.803 0.094 0.000 0.911 171 Q CB 1.365 30.208 28.738 0.174 0.000 1.217 171 Q HN 0.331 nan 8.270 nan 0.000 0.501 172 C N 3.201 122.522 119.300 0.034 0.000 3.362 172 C HA 0.413 4.872 4.460 -0.001 0.000 0.276 172 C C -2.063 172.803 174.990 -0.206 0.000 1.102 172 C CA -1.191 57.763 59.018 -0.107 0.000 1.361 172 C CB 0.173 27.868 27.740 -0.075 0.000 1.822 172 C HN 0.576 nan 8.230 nan 0.000 0.538 173 P HA 0.175 nan 4.420 nan 0.000 0.255 173 P C 0.532 177.536 177.300 -0.494 0.000 1.248 173 P CA 0.958 63.660 63.100 -0.663 0.000 0.807 173 P CB 0.187 31.399 31.700 -0.813 0.000 1.150 174 D N -1.487 118.645 120.400 -0.447 0.000 2.369 174 D HA 0.057 4.697 4.640 -0.001 0.000 0.211 174 D C -0.175 175.871 176.300 -0.422 0.000 1.077 174 D CA 0.168 53.944 54.000 -0.372 0.000 0.842 174 D CB -0.037 40.504 40.800 -0.433 0.000 0.947 174 D HN 0.110 nan 8.370 nan 0.000 0.509 175 C N 2.168 121.210 119.300 -0.429 0.000 2.145 175 C HA 0.216 4.676 4.460 -0.001 0.000 0.374 175 C C 2.058 176.872 174.990 -0.293 0.000 1.035 175 C CA -0.654 58.150 59.018 -0.357 0.000 1.431 175 C CB -0.776 26.756 27.740 -0.348 0.000 1.789 175 C HN 0.060 nan 8.230 nan 0.000 0.483 176 V N 2.755 122.486 119.914 -0.305 0.000 2.341 176 V HA 0.014 4.134 4.120 -0.001 0.000 0.240 176 V C 1.141 177.141 176.094 -0.157 0.000 1.035 176 V CA 1.051 63.179 62.300 -0.286 0.000 1.033 176 V CB -0.390 31.195 31.823 -0.396 0.000 0.678 176 V HN 0.572 nan 8.190 nan 0.000 0.464 177 V N 0.465 120.302 119.914 -0.128 0.000 2.716 177 V HA 0.507 4.626 4.120 -0.001 0.000 0.304 177 V C 0.048 176.108 176.094 -0.057 0.000 1.053 177 V CA -0.044 62.218 62.300 -0.063 0.000 0.984 177 V CB 1.877 33.679 31.823 -0.034 0.000 1.021 177 V HN 0.477 nan 8.190 nan 0.000 0.467 178 S N 3.776 119.465 115.700 -0.018 0.000 2.433 178 S HA 0.521 4.990 4.470 -0.001 0.000 0.310 178 S C 1.113 175.726 174.600 0.022 0.000 1.097 178 S CA -0.042 58.156 58.200 -0.004 0.000 1.103 178 S CB 1.507 64.719 63.200 0.019 0.000 0.992 178 S HN 1.135 nan 8.310 nan 0.000 0.469 179 A N 4.101 126.928 122.820 0.013 0.000 2.009 179 A HA -0.110 4.209 4.320 -0.001 0.000 0.222 179 A C 1.478 179.090 177.584 0.047 0.000 1.175 179 A CA 2.114 54.168 52.037 0.028 0.000 0.651 179 A CB -0.913 18.105 19.000 0.029 0.000 0.815 179 A HN 1.291 nan 8.150 nan 0.000 0.459 180 L N -3.973 117.284 121.223 0.057 0.000 2.984 180 L HA 0.692 5.032 4.340 -0.001 0.000 0.246 180 L C 0.449 177.372 176.870 0.088 0.000 1.268 180 L CA 0.155 55.037 54.840 0.069 0.000 1.054 180 L CB -0.409 41.693 42.059 0.071 0.000 1.393 180 L HN 0.621 nan 8.230 nan 0.000 0.532 181 G N -0.713 108.143 108.800 0.094 0.000 3.313 181 G HA2 0.490 4.450 3.960 -0.001 0.000 0.659 181 G HA3 0.490 4.450 3.960 -0.001 0.000 0.659 181 G C -0.917 174.075 174.900 0.154 0.000 1.286 181 G CA -0.424 44.752 45.100 0.127 0.000 1.077 181 G HN 0.717 nan 8.290 nan 0.000 0.551 182 A N 2.645 125.550 122.820 0.142 0.000 2.515 182 A HA 0.956 5.275 4.320 -0.001 0.000 0.298 182 A C -0.585 177.093 177.584 0.157 0.000 1.059 182 A CA -0.890 51.221 52.037 0.124 0.000 0.698 182 A CB 2.068 21.112 19.000 0.072 0.000 1.289 182 A HN 0.583 nan 8.150 nan 0.000 0.404 183 K N 1.064 121.568 120.400 0.173 0.000 2.443 183 K HA 0.621 4.941 4.320 -0.001 0.000 0.252 183 K C -1.627 175.097 176.600 0.207 0.000 0.933 183 K CA -0.481 55.927 56.287 0.202 0.000 0.792 183 K CB 2.209 34.872 32.500 0.271 0.000 1.185 183 K HN 0.450 nan 8.250 nan 0.000 0.425 184 V N 4.110 124.102 119.914 0.129 0.000 2.487 184 V HA 0.426 4.546 4.120 -0.001 0.000 0.298 184 V C -1.008 175.099 176.094 0.021 0.000 1.028 184 V CA -1.001 61.365 62.300 0.109 0.000 0.860 184 V CB 1.826 33.700 31.823 0.086 0.000 0.991 184 V HN 0.563 nan 8.190 nan 0.000 0.427 185 L N 5.165 126.409 121.223 0.036 0.000 2.409 185 L HA 0.858 5.197 4.340 -0.001 0.000 0.272 185 L C -0.308 176.519 176.870 -0.072 0.000 0.980 185 L CA -0.057 54.753 54.840 -0.050 0.000 0.826 185 L CB 2.063 44.060 42.059 -0.102 0.000 1.268 185 L HN 0.662 nan 8.230 nan 0.000 0.407 186 S N 3.434 118.983 115.700 -0.251 0.000 2.482 186 S HA 0.945 5.415 4.470 -0.001 0.000 0.303 186 S C -0.621 173.903 174.600 -0.126 0.000 1.091 186 S CA 0.214 58.163 58.200 -0.417 0.000 1.057 186 S CB 1.275 63.906 63.200 -0.948 0.000 1.031 186 S HN 1.350 nan 8.310 nan 0.000 0.485 187 S N 2.659 118.366 115.700 0.012 0.000 2.541 187 S HA 0.636 5.105 4.470 -0.001 0.000 0.271 187 S C -0.892 173.721 174.600 0.023 0.000 1.133 187 S CA -0.773 57.453 58.200 0.042 0.000 0.876 187 S CB 0.930 64.195 63.200 0.108 0.000 1.105 187 S HN 1.046 nan 8.310 nan 0.000 0.470 188 V N 1.649 121.522 119.914 -0.068 0.000 2.530 188 V HA 0.720 4.839 4.120 -0.001 0.000 0.282 188 V C 0.048 176.071 176.094 -0.118 0.000 1.048 188 V CA -0.368 61.819 62.300 -0.189 0.000 0.997 188 V CB 0.425 32.011 31.823 -0.395 0.000 0.987 188 V HN 1.022 nan 8.190 nan 0.000 0.477 189 K N 2.421 122.767 120.400 -0.090 0.000 2.589 189 K HA 0.420 4.740 4.320 -0.001 0.000 0.253 189 K C -0.846 175.757 176.600 0.007 0.000 0.974 189 K CA -0.432 55.847 56.287 -0.013 0.000 0.835 189 K CB 1.148 33.700 32.500 0.087 0.000 1.272 189 K HN 0.628 nan 8.250 nan 0.000 0.444 190 D N 3.170 123.555 120.400 -0.026 0.000 2.870 190 D HA -0.181 4.459 4.640 -0.001 0.000 0.228 190 D C -0.427 175.773 176.300 -0.167 0.000 1.147 190 D CA 1.452 55.433 54.000 -0.033 0.000 0.757 190 D CB -0.569 40.271 40.800 0.067 0.000 1.091 190 D HN 0.841 nan 8.370 nan 0.000 0.429 191 R N -3.063 117.314 120.500 -0.206 0.000 3.922 191 R HA -0.233 4.106 4.340 -0.001 0.000 0.447 191 R C -0.107 176.020 176.300 -0.289 0.000 1.035 191 R CA 1.333 57.301 56.100 -0.220 0.000 1.289 191 R CB -1.883 28.316 30.300 -0.169 0.000 1.906 191 R HN 0.368 nan 8.270 nan 0.000 0.540 192 F N 0.385 120.301 119.950 -0.056 0.000 2.443 192 F HA 0.446 4.972 4.527 -0.000 0.000 0.335 192 F C 1.065 176.782 175.800 -0.138 0.000 1.104 192 F CA -1.330 56.654 58.000 -0.026 0.000 1.013 192 F CB 1.114 40.122 39.000 0.013 0.000 1.136 192 F HN -0.183 nan 8.300 nan 0.000 0.470 193 I N 4.127 124.746 120.570 0.083 0.000 2.505 193 I HA -0.002 4.167 4.170 -0.001 0.000 0.287 193 I C -0.416 175.820 176.117 0.198 0.000 1.104 193 I CA 0.197 61.526 61.300 0.049 0.000 1.387 193 I CB -0.155 37.849 38.000 0.007 0.000 1.404 193 I HN 0.491 nan 8.210 nan 0.000 0.528 194 N N 6.507 125.304 118.700 0.161 0.000 2.443 194 N HA 0.474 5.214 4.740 -0.001 0.000 0.295 194 N C -1.029 174.565 175.510 0.140 0.000 1.076 194 N CA -0.394 52.712 53.050 0.094 0.000 0.919 194 N CB 1.295 39.730 38.487 -0.087 0.000 1.176 194 N HN 0.221 nan 8.380 nan 0.000 0.487 195 F N 1.861 121.663 119.950 -0.247 0.000 2.403 195 F HA 0.444 4.971 4.527 -0.001 0.000 0.355 195 F C -0.506 175.103 175.800 -0.319 0.000 1.119 195 F CA -0.812 57.095 58.000 -0.155 0.000 1.007 195 F CB 0.431 39.385 39.000 -0.076 0.000 1.194 195 F HN 0.274 nan 8.300 nan 0.000 0.443 196 F N 3.015 123.086 119.950 0.203 0.000 2.404 196 F HA 0.679 5.206 4.527 -0.001 0.000 0.339 196 F C -0.151 175.824 175.800 0.292 0.000 1.105 196 F CA -1.055 57.107 58.000 0.270 0.000 1.087 196 F CB 1.343 40.579 39.000 0.395 0.000 1.143 196 F HN -0.019 nan 8.300 nan 0.000 0.491 197 V N 2.256 122.359 119.914 0.316 0.000 2.610 197 V HA 0.536 4.656 4.120 -0.001 0.000 0.298 197 V C 0.008 175.986 176.094 -0.193 0.000 1.067 197 V CA -0.988 61.395 62.300 0.140 0.000 0.894 197 V CB 1.690 33.556 31.823 0.072 0.000 1.015 197 V HN 0.944 nan 8.190 nan 0.000 0.432 198 G N 2.801 111.429 108.800 -0.288 0.000 2.353 198 G HA2 0.567 4.527 3.960 -0.001 0.000 0.284 198 G HA3 0.567 4.527 3.960 -0.001 0.000 0.284 198 G C -0.552 174.010 174.900 -0.564 0.000 1.172 198 G CA -0.275 44.254 45.100 -0.951 0.000 0.854 198 G HN 0.517 nan 8.290 nan 0.000 0.485 199 N N 0.779 119.166 118.700 -0.521 0.000 2.500 199 N HA 0.303 5.042 4.740 -0.001 0.000 0.291 199 N C -0.315 175.352 175.510 0.261 0.000 1.092 199 N CA -0.384 52.655 53.050 -0.019 0.000 0.890 199 N CB 1.955 40.421 38.487 -0.034 0.000 1.466 199 N HN 0.398 nan 8.380 nan 0.000 0.507 200 T N 2.291 117.051 114.554 0.342 0.000 2.916 200 T HA 0.395 4.745 4.350 -0.001 0.000 0.303 200 T C 0.605 175.399 174.700 0.157 0.000 1.025 200 T CA 0.108 62.364 62.100 0.259 0.000 1.142 200 T CB 0.732 69.713 68.868 0.187 0.000 0.947 200 T HN 0.311 nan 8.240 nan 0.000 0.544 201 I N 2.766 123.419 120.570 0.138 0.000 2.722 201 I HA 0.322 4.492 4.170 -0.001 0.000 0.295 201 I C -0.113 176.063 176.117 0.098 0.000 1.161 201 I CA -0.669 60.690 61.300 0.099 0.000 1.032 201 I CB 2.273 40.325 38.000 0.086 0.000 1.244 201 I HN 0.721 nan 8.210 nan 0.000 0.421 202 N N 3.588 122.340 118.700 0.086 0.000 2.240 202 N HA -0.031 4.708 4.740 -0.001 0.000 0.240 202 N C 0.326 175.886 175.510 0.082 0.000 1.277 202 N CA 0.642 53.746 53.050 0.090 0.000 0.873 202 N CB 0.777 39.319 38.487 0.092 0.000 1.222 202 N HN 0.719 nan 8.380 nan 0.000 0.507 203 S N -0.672 115.071 115.700 0.071 0.000 3.127 203 S HA -0.218 4.252 4.470 -0.001 0.000 0.281 203 S C -0.378 174.279 174.600 0.096 0.000 1.293 203 S CA 0.923 59.161 58.200 0.063 0.000 1.156 203 S CB -2.721 60.507 63.200 0.047 0.000 1.389 203 S HN 0.382 nan 8.310 nan 0.000 0.672 204 S N 2.226 117.994 115.700 0.112 0.000 3.106 204 S HA 0.100 4.569 4.470 -0.001 0.000 0.304 204 S C 0.057 174.779 174.600 0.205 0.000 1.118 204 S CA 0.132 58.415 58.200 0.139 0.000 1.403 204 S CB -0.958 62.339 63.200 0.162 0.000 1.555 204 S HN 0.594 nan 8.310 nan 0.000 0.584 205 Y N 3.238 123.544 120.300 0.011 0.000 2.829 205 Y HA -0.060 4.490 4.550 -0.001 0.000 0.383 205 Y C -0.227 175.659 175.900 -0.022 0.000 1.382 205 Y CA -0.447 57.651 58.100 -0.004 0.000 1.858 205 Y CB -0.303 38.133 38.460 -0.040 0.000 1.331 205 Y HN 0.455 nan 8.280 nan 0.000 0.475 206 F N 8.919 129.026 119.950 0.261 0.000 2.390 206 F HA 0.328 4.854 4.527 -0.000 0.000 0.361 206 F C -1.879 174.009 175.800 0.146 0.000 1.124 206 F CA -2.611 55.470 58.000 0.136 0.000 1.149 206 F CB 0.685 39.727 39.000 0.070 0.000 1.160 206 F HN 0.419 nan 8.300 nan 0.000 0.501 207 P HA 0.005 nan 4.420 nan 0.000 0.262 207 P C -0.275 177.032 177.300 0.011 0.000 1.199 207 P CA 0.677 63.833 63.100 0.093 0.000 0.763 207 P CB 0.372 32.019 31.700 -0.089 0.000 0.790 208 D N 0.755 121.148 120.400 -0.011 0.000 3.006 208 D HA -0.188 4.452 4.640 -0.001 0.000 0.208 208 D C -0.091 176.051 176.300 -0.263 0.000 1.116 208 D CA 1.416 55.326 54.000 -0.150 0.000 0.998 208 D CB -1.228 39.459 40.800 -0.188 0.000 1.124 208 D HN 0.620 nan 8.370 nan 0.000 0.413 209 H N -1.129 117.980 119.070 0.065 0.000 2.379 209 H HA 0.318 4.874 4.556 -0.001 0.000 0.229 209 H C -2.207 173.038 175.328 -0.138 0.000 1.423 209 H CA -1.159 54.816 56.048 -0.121 0.000 1.375 209 H CB 0.821 30.384 29.762 -0.332 0.000 1.592 209 H HN 0.195 nan 8.280 nan 0.000 0.507 210 P HA 0.273 nan 4.420 nan 0.000 0.279 210 P C 0.134 177.241 177.300 -0.322 0.000 1.276 210 P CA -0.496 62.513 63.100 -0.152 0.000 0.801 210 P CB 2.028 33.596 31.700 -0.220 0.000 1.127 211 L N -0.348 120.661 121.223 -0.356 0.000 2.279 211 L HA 0.502 4.842 4.340 -0.001 0.000 0.262 211 L C 0.302 176.843 176.870 -0.547 0.000 1.019 211 L CA -0.950 53.653 54.840 -0.395 0.000 0.823 211 L CB 1.565 43.515 42.059 -0.182 0.000 1.358 211 L HN 0.420 nan 8.230 nan 0.000 0.432 212 H N -0.431 118.559 119.070 -0.133 0.000 2.622 212 H HA 0.281 4.836 4.556 -0.001 0.000 0.363 212 H C 0.171 175.435 175.328 -0.107 0.000 1.151 212 H CA -0.607 55.343 56.048 -0.164 0.000 1.184 212 H CB 2.371 31.970 29.762 -0.272 0.000 1.643 212 H HN 0.497 nan 8.280 nan 0.000 0.531 213 S N 1.304 117.045 115.700 0.067 0.000 2.355 213 S HA -0.011 4.459 4.470 -0.001 0.000 0.222 213 S C 1.010 175.521 174.600 -0.149 0.000 1.031 213 S CA 0.862 59.088 58.200 0.044 0.000 0.993 213 S CB 0.077 63.369 63.200 0.153 0.000 0.859 213 S HN 0.500 nan 8.310 nan 0.000 0.453 214 I N -0.820 119.653 120.570 -0.160 0.000 2.865 214 I HA 0.763 4.933 4.170 -0.001 0.000 0.302 214 I C -0.840 175.134 176.117 -0.238 0.000 1.140 214 I CA -0.927 60.199 61.300 -0.292 0.000 1.021 214 I CB 1.456 39.273 38.000 -0.304 0.000 1.233 214 I HN 0.185 nan 8.210 nan 0.000 0.427 215 S N 2.067 117.636 115.700 -0.218 0.000 2.611 215 S HA 0.699 5.168 4.470 -0.001 0.000 0.270 215 S C -1.484 173.058 174.600 -0.095 0.000 1.131 215 S CA -0.782 57.310 58.200 -0.181 0.000 0.826 215 S CB 1.945 65.112 63.200 -0.056 0.000 1.095 215 S HN 1.218 nan 8.310 nan 0.000 0.461 216 V N 2.062 121.918 119.914 -0.097 0.000 2.612 216 V HA 0.873 4.993 4.120 -0.001 0.000 0.301 216 V C -1.490 174.617 176.094 0.021 0.000 1.059 216 V CA -0.340 61.872 62.300 -0.147 0.000 0.886 216 V CB 1.461 33.124 31.823 -0.268 0.000 1.007 216 V HN 1.270 nan 8.190 nan 0.000 0.426 217 R N 5.643 126.150 120.500 0.012 0.000 2.771 217 R HA 0.666 5.005 4.340 -0.001 0.000 0.274 217 R C -1.078 175.222 176.300 0.001 0.000 0.987 217 R CA -0.848 55.269 56.100 0.028 0.000 0.908 217 R CB 1.878 32.103 30.300 -0.125 0.000 1.213 217 R HN 0.887 nan 8.270 nan 0.000 0.468 218 R N 1.819 122.290 120.500 -0.048 0.000 2.720 218 R HA 0.562 4.902 4.340 -0.001 0.000 0.272 218 R C -0.268 175.970 176.300 -0.104 0.000 0.991 218 R CA -0.971 55.100 56.100 -0.047 0.000 1.010 218 R CB 1.086 31.266 30.300 -0.201 0.000 1.141 218 R HN 0.496 nan 8.270 nan 0.000 0.494 219 L N 1.483 122.607 121.223 -0.165 0.000 2.472 219 L HA 0.235 4.574 4.340 -0.001 0.000 0.260 219 L C 0.292 177.035 176.870 -0.211 0.000 1.209 219 L CA -0.182 54.407 54.840 -0.419 0.000 0.817 219 L CB 0.874 42.742 42.059 -0.320 0.000 1.106 219 L HN 0.674 nan 8.230 nan 0.000 0.479 220 K N 1.376 121.638 120.400 -0.230 0.000 2.118 220 K HA 0.079 4.399 4.320 -0.001 0.000 0.267 220 K C 0.526 177.147 176.600 0.036 0.000 0.991 220 K CA -0.396 55.832 56.287 -0.099 0.000 0.916 220 K CB 1.413 33.831 32.500 -0.137 0.000 1.041 220 K HN 0.530 nan 8.250 nan 0.000 0.455 221 E N 0.843 121.115 120.200 0.120 0.000 2.338 221 E HA -0.130 4.220 4.350 -0.001 0.000 0.197 221 E C 0.850 177.368 176.600 -0.137 0.000 1.007 221 E CA 1.193 57.620 56.400 0.045 0.000 0.849 221 E CB 0.220 29.965 29.700 0.075 0.000 0.774 221 E HN 0.652 nan 8.360 nan 0.000 0.506 222 T N -1.730 112.766 114.554 -0.096 0.000 3.160 222 T HA 0.050 4.400 4.350 -0.001 0.000 0.257 222 T C 0.777 175.373 174.700 -0.172 0.000 1.147 222 T CA 0.326 62.345 62.100 -0.135 0.000 1.064 222 T CB -0.119 68.689 68.868 -0.100 0.000 0.949 222 T HN 0.152 nan 8.240 nan 0.000 0.526 223 K N 1.055 121.355 120.400 -0.166 0.000 3.274 223 K HA -0.155 4.165 4.320 -0.001 0.000 0.300 223 K C -0.051 176.408 176.600 -0.236 0.000 1.230 223 K CA 1.226 57.401 56.287 -0.187 0.000 0.884 223 K CB -1.191 31.189 32.500 -0.199 0.000 1.242 223 K HN 0.772 nan 8.250 nan 0.000 0.467 224 D N -0.788 119.482 120.400 -0.217 0.000 2.563 224 D HA 0.248 4.888 4.640 -0.001 0.000 0.237 224 D C 0.378 176.584 176.300 -0.156 0.000 1.282 224 D CA 0.456 54.354 54.000 -0.170 0.000 0.816 224 D CB 0.835 41.560 40.800 -0.126 0.000 1.066 224 D HN 0.268 nan 8.370 nan 0.000 0.501 225 G N -0.172 108.463 108.800 -0.274 0.000 2.443 225 G HA2 0.365 4.324 3.960 -0.001 0.000 0.303 225 G HA3 0.365 4.324 3.960 -0.001 0.000 0.303 225 G C -1.589 173.056 174.900 -0.426 0.000 1.613 225 G CA -1.058 43.887 45.100 -0.258 0.000 0.879 225 G HN -0.026 nan 8.290 nan 0.000 0.632 226 F N 1.029 120.800 119.950 -0.298 0.000 2.371 226 F HA 0.765 5.292 4.527 0.000 0.000 0.329 226 F C 1.038 176.606 175.800 -0.387 0.000 1.107 226 F CA -0.407 57.368 58.000 -0.375 0.000 1.137 226 F CB 1.886 40.597 39.000 -0.481 0.000 1.214 226 F HN 0.571 nan 8.300 nan 0.000 0.536 227 M N 1.806 121.288 119.600 -0.197 0.000 2.393 227 M HA 0.562 5.042 4.480 -0.001 0.000 0.299 227 M C -1.981 174.190 176.300 -0.215 0.000 1.103 227 M CA -0.490 54.665 55.300 -0.243 0.000 0.910 227 M CB 1.888 34.386 32.600 -0.169 0.000 1.659 227 M HN 0.366 nan 8.290 nan 0.000 0.445 228 F N 2.448 122.378 119.950 -0.033 0.000 2.420 228 F HA 0.292 4.819 4.527 -0.000 0.000 0.352 228 F C 0.896 176.650 175.800 -0.076 0.000 1.108 228 F CA -0.879 57.098 58.000 -0.039 0.000 1.162 228 F CB 1.370 40.407 39.000 0.063 0.000 1.118 228 F HN 0.672 nan 8.300 nan 0.000 0.510 229 L N 1.947 123.221 121.223 0.086 0.000 2.109 229 L HA -0.011 4.329 4.340 -0.001 0.000 0.207 229 L C 1.083 177.940 176.870 -0.022 0.000 1.086 229 L CA 1.270 56.104 54.840 -0.009 0.000 0.760 229 L CB -0.069 41.963 42.059 -0.044 0.000 0.910 229 L HN 0.816 nan 8.230 nan 0.000 0.437 230 T N -6.536 107.974 114.554 -0.074 0.000 2.762 230 T HA 0.148 4.497 4.350 -0.001 0.000 0.301 230 T C 0.118 174.652 174.700 -0.277 0.000 1.299 230 T CA -0.153 61.877 62.100 -0.117 0.000 1.005 230 T CB 0.842 69.644 68.868 -0.111 0.000 1.377 230 T HN 0.098 nan 8.240 nan 0.000 0.504 231 D N -0.518 119.714 120.400 -0.281 0.000 2.371 231 D HA -0.089 4.551 4.640 -0.001 0.000 0.221 231 D C 1.179 177.045 176.300 -0.723 0.000 0.986 231 D CA 0.647 54.361 54.000 -0.476 0.000 0.899 231 D CB -0.089 40.593 40.800 -0.197 0.000 0.902 231 D HN 0.669 nan 8.370 nan 0.000 0.530 232 Q N -0.367 119.117 119.800 -0.527 0.000 2.320 232 Q HA 0.163 4.503 4.340 -0.001 0.000 0.201 232 Q C 0.709 176.330 176.000 -0.631 0.000 0.910 232 Q CA -0.109 55.397 55.803 -0.494 0.000 0.946 232 Q CB 0.332 28.901 28.738 -0.281 0.000 1.062 232 Q HN 0.123 nan 8.270 nan 0.000 0.503 233 S N -0.165 115.050 115.700 -0.809 0.000 2.556 233 S HA 0.092 4.561 4.470 -0.001 0.000 0.216 233 S C -0.643 173.514 174.600 -0.738 0.000 0.970 233 S CA -0.147 57.656 58.200 -0.660 0.000 0.912 233 S CB 0.154 63.098 63.200 -0.426 0.000 0.790 233 S HN 0.330 nan 8.310 nan 0.000 0.504 234 Y N -0.948 118.954 120.300 -0.663 0.000 2.553 234 Y HA 0.782 5.332 4.550 -0.001 0.000 0.347 234 Y C -0.925 174.645 175.900 -0.550 0.000 1.019 234 Y CA -1.729 55.949 58.100 -0.703 0.000 1.032 234 Y CB 0.721 38.515 38.460 -1.109 0.000 1.284 234 Y HN -0.183 nan 8.280 nan 0.000 0.466 235 I N 2.927 123.304 120.570 -0.322 0.000 2.418 235 I HA 0.353 4.522 4.170 -0.001 0.000 0.287 235 I C -1.309 174.777 176.117 -0.051 0.000 1.008 235 I CA -0.485 60.610 61.300 -0.342 0.000 1.104 235 I CB 1.627 39.126 38.000 -0.836 0.000 1.264 235 I HN 0.601 nan 8.210 nan 0.000 0.438 236 D N 5.247 125.747 120.400 0.168 0.000 2.375 236 D HA 0.309 4.949 4.640 -0.001 0.000 0.247 236 D C -0.310 176.147 176.300 0.261 0.000 1.061 236 D CA -0.321 53.792 54.000 0.188 0.000 0.834 236 D CB 2.640 43.539 40.800 0.165 0.000 1.247 236 D HN 0.013 nan 8.370 nan 0.000 0.489 237 V N 2.830 122.901 119.914 0.262 0.000 2.726 237 V HA -0.141 3.978 4.120 -0.001 0.000 0.304 237 V C 0.918 177.152 176.094 0.234 0.000 1.115 237 V CA 0.336 62.818 62.300 0.305 0.000 1.264 237 V CB -0.048 31.918 31.823 0.238 0.000 0.867 237 V HN 0.408 nan 8.190 nan 0.000 0.498 238 L N 8.236 129.640 121.223 0.302 0.000 2.490 238 L HA 0.076 4.416 4.340 -0.001 0.000 0.274 238 L C -0.919 175.968 176.870 0.028 0.000 1.201 238 L CA -1.101 53.834 54.840 0.158 0.000 0.869 238 L CB 0.441 42.645 42.059 0.242 0.000 1.123 238 L HN 0.519 nan 8.230 nan 0.000 0.484 239 P HA -0.251 nan 4.420 nan 0.000 0.218 239 P C 0.990 178.178 177.300 -0.187 0.000 1.152 239 P CA 1.559 64.585 63.100 -0.124 0.000 0.857 239 P CB 0.098 31.704 31.700 -0.158 0.000 0.787 240 E N -1.296 118.676 120.200 -0.380 0.000 2.110 240 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 240 E C 1.340 177.616 176.600 -0.540 0.000 0.988 240 E CA 1.121 57.172 56.400 -0.580 0.000 0.804 240 E CB -0.825 28.310 29.700 -0.941 0.000 0.745 240 E HN 0.368 nan 8.360 nan 0.000 0.458 241 F N 0.335 120.296 119.950 0.018 0.000 2.721 241 F HA 0.332 4.858 4.527 -0.001 0.000 0.301 241 F C 2.094 177.926 175.800 0.052 0.000 1.096 241 F CA -0.563 57.456 58.000 0.033 0.000 1.308 241 F CB 0.092 39.128 39.000 0.059 0.000 1.086 241 F HN -0.237 nan 8.300 nan 0.000 0.587 242 R N 0.762 121.352 120.500 0.150 0.000 2.276 242 R HA -0.189 4.151 4.340 -0.001 0.000 0.243 242 R C 1.186 177.559 176.300 0.120 0.000 1.161 242 R CA 1.735 57.907 56.100 0.121 0.000 1.007 242 R CB -0.214 30.118 30.300 0.054 0.000 0.867 242 R HN 0.290 nan 8.270 nan 0.000 0.472 243 D N -1.984 118.483 120.400 0.111 0.000 2.716 243 D HA 0.097 4.737 4.640 -0.001 0.000 0.273 243 D C 1.554 177.939 176.300 0.143 0.000 1.024 243 D CA 0.429 54.497 54.000 0.113 0.000 0.944 243 D CB 0.022 40.865 40.800 0.073 0.000 1.186 243 D HN -0.059 nan 8.370 nan 0.000 0.485 244 S N 0.345 116.114 115.700 0.114 0.000 2.411 244 S HA -0.216 4.254 4.470 -0.001 0.000 0.293 244 S C 0.766 175.363 174.600 -0.005 0.000 1.146 244 S CA 1.966 60.188 58.200 0.037 0.000 1.337 244 S CB -0.559 62.703 63.200 0.103 0.000 1.258 244 S HN 0.549 nan 8.310 nan 0.000 0.453 245 Y N -1.895 118.491 120.300 0.143 0.000 2.677 245 Y HA 0.708 5.258 4.550 -0.001 0.000 0.334 245 Y C -3.456 172.525 175.900 0.135 0.000 1.196 245 Y CA -2.540 55.655 58.100 0.159 0.000 1.059 245 Y CB 1.045 39.652 38.460 0.245 0.000 1.315 245 Y HN 0.014 nan 8.280 nan 0.000 0.455 246 P HA 0.584 nan 4.420 nan 0.000 0.317 246 P C -1.175 176.187 177.300 0.103 0.000 1.301 246 P CA -0.824 62.388 63.100 0.188 0.000 0.799 246 P CB 2.279 34.075 31.700 0.160 0.000 1.344 247 I N -0.527 120.039 120.570 -0.007 0.000 2.495 247 I HA 0.306 4.475 4.170 -0.001 0.000 0.277 247 I C 0.011 175.908 176.117 -0.368 0.000 1.045 247 I CA -0.946 60.224 61.300 -0.217 0.000 1.135 247 I CB 1.178 38.975 38.000 -0.339 0.000 1.241 247 I HN 0.035 nan 8.210 nan 0.000 0.469 248 K N 4.637 124.905 120.400 -0.219 0.000 2.350 248 K HA 0.266 4.586 4.320 -0.001 0.000 0.279 248 K C -1.203 175.225 176.600 -0.287 0.000 1.027 248 K CA 0.228 56.430 56.287 -0.142 0.000 0.969 248 K CB 0.213 32.693 32.500 -0.033 0.000 0.954 248 K HN 0.237 nan 8.250 nan 0.000 0.474 249 Y N 2.964 123.336 120.300 0.120 0.000 2.417 249 Y HA 0.132 4.681 4.550 -0.000 0.000 0.336 249 Y C 1.168 177.168 175.900 0.165 0.000 0.961 249 Y CA -0.663 57.541 58.100 0.173 0.000 1.215 249 Y CB 0.861 39.454 38.460 0.223 0.000 1.120 249 Y HN 0.296 nan 8.280 nan 0.000 0.499 250 V N 1.571 121.631 119.914 0.244 0.000 2.535 250 V HA -0.078 4.042 4.120 -0.001 0.000 0.246 250 V C 0.469 176.723 176.094 0.267 0.000 1.045 250 V CA 1.140 63.552 62.300 0.186 0.000 1.058 250 V CB -0.378 31.502 31.823 0.095 0.000 0.689 250 V HN 0.731 nan 8.190 nan 0.000 0.461 251 H N -1.335 117.817 119.070 0.137 0.000 3.068 251 H HA 0.633 5.189 4.556 -0.000 0.000 0.342 251 H C -1.523 173.787 175.328 -0.030 0.000 1.284 251 H CA 0.034 56.127 56.048 0.074 0.000 1.181 251 H CB 2.214 32.019 29.762 0.073 0.000 1.898 251 H HN 0.266 nan 8.280 nan 0.000 0.540 252 A N 2.939 125.339 122.820 -0.700 0.000 2.498 252 A HA 0.718 5.038 4.320 -0.001 0.000 0.298 252 A C -1.771 175.346 177.584 -0.778 0.000 1.075 252 A CA -0.488 50.945 52.037 -1.007 0.000 0.714 252 A CB 1.543 19.535 19.000 -1.680 0.000 1.299 252 A HN 0.544 nan 8.150 nan 0.000 0.407 253 F N -1.105 118.432 119.950 -0.688 0.000 2.703 253 F HA 0.733 5.260 4.527 -0.001 0.000 0.308 253 F C -0.947 174.689 175.800 -0.273 0.000 1.126 253 F CA -0.687 57.047 58.000 -0.444 0.000 0.959 253 F CB 1.224 40.004 39.000 -0.368 0.000 1.297 253 F HN 0.631 nan 8.300 nan 0.000 0.441 254 E N 1.478 121.631 120.200 -0.079 0.000 2.175 254 E HA 0.610 4.959 4.350 -0.001 0.000 0.278 254 E C -1.349 175.321 176.600 0.117 0.000 0.969 254 E CA -0.602 55.740 56.400 -0.097 0.000 0.796 254 E CB 1.576 31.193 29.700 -0.140 0.000 1.104 254 E HN 0.850 nan 8.360 nan 0.000 0.395 255 S N 4.392 120.203 115.700 0.185 0.000 2.563 255 S HA 0.270 4.740 4.470 -0.001 0.000 0.279 255 S C -0.485 174.240 174.600 0.209 0.000 1.155 255 S CA -0.554 57.754 58.200 0.180 0.000 0.928 255 S CB 0.942 64.257 63.200 0.191 0.000 1.107 255 S HN 0.762 nan 8.310 nan 0.000 0.462 256 N N 2.286 121.036 118.700 0.083 0.000 2.850 256 N HA -0.156 4.584 4.740 -0.001 0.000 0.249 256 N C 0.109 175.547 175.510 -0.120 0.000 1.060 256 N CA 1.274 54.352 53.050 0.047 0.000 0.825 256 N CB -1.254 37.336 38.487 0.172 0.000 1.132 256 N HN 0.915 nan 8.380 nan 0.000 0.564 257 N N -2.325 116.271 118.700 -0.173 0.000 3.002 257 N HA -0.173 4.566 4.740 -0.001 0.000 0.229 257 N C -0.834 174.297 175.510 -0.632 0.000 0.927 257 N CA 1.369 54.201 53.050 -0.364 0.000 0.980 257 N CB -1.355 36.891 38.487 -0.403 0.000 1.077 257 N HN 0.438 nan 8.380 nan 0.000 0.572 258 F N 0.512 120.367 119.950 -0.157 0.000 2.497 258 F HA 0.650 5.177 4.527 -0.000 0.000 0.331 258 F C 0.979 176.430 175.800 -0.582 0.000 1.060 258 F CA -1.004 56.740 58.000 -0.427 0.000 0.989 258 F CB 1.012 39.594 39.000 -0.696 0.000 1.245 258 F HN -0.248 nan 8.300 nan 0.000 0.486 259 I N 1.611 121.758 120.570 -0.704 0.000 2.392 259 I HA 0.284 4.453 4.170 -0.001 0.000 0.295 259 I C -1.025 174.345 176.117 -1.244 0.000 0.985 259 I CA -1.008 59.731 61.300 -0.935 0.000 1.221 259 I CB 1.059 38.373 38.000 -1.143 0.000 1.366 259 I HN 0.478 nan 8.210 nan 0.000 0.467 260 Y N 4.863 124.544 120.300 -1.032 0.000 2.393 260 Y HA 0.544 5.093 4.550 -0.001 0.000 0.341 260 Y C -0.433 174.964 175.900 -0.838 0.000 0.988 260 Y CA -0.634 56.877 58.100 -0.983 0.000 1.078 260 Y CB 1.832 39.462 38.460 -1.384 0.000 1.203 260 Y HN 0.279 nan 8.280 nan 0.000 0.453 261 F N 2.860 122.607 119.950 -0.338 0.000 2.508 261 F HA 0.608 5.134 4.527 -0.001 0.000 0.325 261 F C -0.555 175.259 175.800 0.022 0.000 1.090 261 F CA -0.886 57.056 58.000 -0.097 0.000 0.945 261 F CB 1.379 40.414 39.000 0.058 0.000 1.156 261 F HN 0.200 nan 8.300 nan 0.000 0.463 262 L N 2.078 123.448 121.223 0.245 0.000 2.317 262 L HA 0.695 5.034 4.340 -0.001 0.000 0.281 262 L C -0.120 176.872 176.870 0.202 0.000 1.024 262 L CA -0.335 54.624 54.840 0.198 0.000 0.810 262 L CB 2.108 44.279 42.059 0.186 0.000 1.240 262 L HN 0.598 nan 8.230 nan 0.000 0.427 263 T N 1.913 116.521 114.554 0.091 0.000 2.894 263 T HA 0.600 4.949 4.350 -0.001 0.000 0.309 263 T C -1.563 173.117 174.700 -0.034 0.000 1.208 263 T CA -0.324 61.777 62.100 0.001 0.000 1.016 263 T CB 1.862 70.719 68.868 -0.019 0.000 1.192 263 T HN 0.180 nan 8.240 nan 0.000 0.491 264 V N 4.914 124.793 119.914 -0.058 0.000 2.443 264 V HA 0.693 4.813 4.120 -0.001 0.000 0.293 264 V C -1.323 174.820 176.094 0.081 0.000 1.021 264 V CA -0.512 61.807 62.300 0.033 0.000 0.848 264 V CB 1.366 33.222 31.823 0.055 0.000 0.998 264 V HN 0.984 nan 8.190 nan 0.000 0.424 265 Q N 4.231 124.112 119.800 0.135 0.000 2.507 265 Q HA 0.497 4.837 4.340 -0.001 0.000 0.242 265 Q C -0.394 175.541 176.000 -0.108 0.000 0.911 265 Q CA -1.298 54.529 55.803 0.040 0.000 1.019 265 Q CB 0.930 29.636 28.738 -0.054 0.000 1.523 265 Q HN 0.769 nan 8.270 nan 0.000 0.459 266 R N 0.508 120.601 120.500 -0.678 0.000 2.485 266 R HA -0.325 4.015 4.340 -0.001 0.000 0.271 266 R C 0.062 176.251 176.300 -0.186 0.000 0.970 266 R CA 1.182 56.962 56.100 -0.534 0.000 0.849 266 R CB -1.076 29.139 30.300 -0.142 0.000 2.213 266 R HN 0.954 nan 8.270 nan 0.000 0.527 267 E N 0.796 120.846 120.200 -0.250 0.000 2.136 267 E HA -0.244 4.105 4.350 -0.001 0.000 0.202 267 E C 0.086 176.587 176.600 -0.166 0.000 1.019 267 E CA 2.148 58.325 56.400 -0.372 0.000 0.819 267 E CB 0.205 29.674 29.700 -0.384 0.000 0.739 267 E HN 0.861 nan 8.360 nan 0.000 0.458 268 T N -1.728 112.767 114.554 -0.099 0.000 2.816 268 T HA 0.433 4.782 4.350 -0.001 0.000 0.299 268 T C -0.062 174.618 174.700 -0.033 0.000 1.230 268 T CA -1.006 61.071 62.100 -0.038 0.000 1.007 268 T CB 0.974 69.823 68.868 -0.032 0.000 1.289 268 T HN 0.172 nan 8.240 nan 0.000 0.508 269 L N 0.266 121.455 121.223 -0.057 0.000 2.473 269 L HA 0.418 4.758 4.340 -0.001 0.000 0.268 269 L C 0.503 177.314 176.870 -0.098 0.000 1.215 269 L CA -0.301 54.479 54.840 -0.099 0.000 0.823 269 L CB -0.693 41.215 42.059 -0.251 0.000 1.099 269 L HN 1.002 nan 8.230 nan 0.000 0.483 270 D N -0.720 119.575 120.400 -0.174 0.000 2.859 270 D HA -0.244 4.395 4.640 -0.001 0.000 0.225 270 D C 0.277 176.523 176.300 -0.091 0.000 1.168 270 D CA 1.355 55.230 54.000 -0.208 0.000 0.665 270 D CB -1.197 39.537 40.800 -0.109 0.000 1.059 270 D HN 0.869 nan 8.370 nan 0.000 0.418 271 A N -0.146 122.662 122.820 -0.020 0.000 3.173 271 A HA 0.355 4.675 4.320 -0.001 0.000 0.304 271 A C 1.485 179.133 177.584 0.107 0.000 1.318 271 A CA -0.113 51.941 52.037 0.028 0.000 1.069 271 A CB 0.302 19.296 19.000 -0.010 0.000 1.147 271 A HN 0.176 nan 8.150 nan 0.000 0.547 272 Q N -0.367 119.554 119.800 0.201 0.000 1.794 272 Q HA -0.312 4.027 4.340 -0.001 0.000 0.174 272 Q C 1.080 177.231 176.000 0.252 0.000 2.938 272 Q CA 2.736 58.688 55.803 0.247 0.000 0.214 272 Q CB -1.733 27.087 28.738 0.137 0.000 0.249 272 Q HN 0.896 nan 8.270 nan 0.000 0.366 273 T N -0.075 114.549 114.554 0.116 0.000 2.907 273 T HA 0.555 4.904 4.350 -0.001 0.000 0.284 273 T C -0.291 174.420 174.700 0.019 0.000 1.004 273 T CA -0.547 61.629 62.100 0.126 0.000 1.063 273 T CB 0.442 69.350 68.868 0.067 0.000 0.992 273 T HN 0.104 nan 8.240 nan 0.000 0.483 274 F N 1.661 121.610 119.950 -0.002 0.000 2.452 274 F HA 0.718 5.245 4.527 -0.001 0.000 0.353 274 F C 0.438 176.328 175.800 0.150 0.000 1.089 274 F CA -0.390 57.628 58.000 0.031 0.000 1.080 274 F CB 1.165 40.141 39.000 -0.039 0.000 1.399 274 F HN 0.750 nan 8.300 nan 0.000 0.492 275 H N -1.318 117.886 119.070 0.223 0.000 3.016 275 H HA 0.273 4.829 4.556 -0.001 0.000 0.289 275 H C -1.536 173.875 175.328 0.139 0.000 1.224 275 H CA -0.893 55.231 56.048 0.125 0.000 1.485 275 H CB 0.926 30.708 29.762 0.034 0.000 1.999 275 H HN 0.440 nan 8.280 nan 0.000 0.511 276 T N 5.023 119.507 114.554 -0.118 0.000 2.797 276 T HA 0.696 5.045 4.350 -0.001 0.000 0.279 276 T C -0.122 174.387 174.700 -0.319 0.000 0.991 276 T CA -0.729 61.310 62.100 -0.101 0.000 0.979 276 T CB 0.798 69.774 68.868 0.180 0.000 0.943 276 T HN 0.439 nan 8.240 nan 0.000 0.444 277 R N 1.639 122.011 120.500 -0.213 0.000 2.892 277 R HA 0.663 5.003 4.340 -0.001 0.000 0.265 277 R C -0.374 175.895 176.300 -0.053 0.000 1.025 277 R CA -0.965 55.037 56.100 -0.163 0.000 0.982 277 R CB 1.546 31.784 30.300 -0.103 0.000 1.185 277 R HN 0.470 nan 8.270 nan 0.000 0.484 278 I N 1.938 122.485 120.570 -0.039 0.000 2.488 278 I HA 0.342 4.511 4.170 -0.001 0.000 0.299 278 I C -0.141 176.034 176.117 0.097 0.000 0.984 278 I CA -0.577 60.758 61.300 0.058 0.000 1.250 278 I CB 1.303 39.371 38.000 0.113 0.000 1.389 278 I HN 0.403 nan 8.210 nan 0.000 0.488 279 I N 5.387 125.985 120.570 0.047 0.000 2.465 279 I HA 0.431 4.601 4.170 -0.001 0.000 0.291 279 I C -0.128 175.754 176.117 -0.393 0.000 1.014 279 I CA -0.481 60.735 61.300 -0.139 0.000 1.093 279 I CB 1.726 39.719 38.000 -0.010 0.000 1.267 279 I HN 0.473 nan 8.210 nan 0.000 0.431 280 R N 6.861 126.922 120.500 -0.731 0.000 2.621 280 R HA 0.678 5.017 4.340 -0.001 0.000 0.284 280 R C -2.084 173.697 176.300 -0.865 0.000 0.998 280 R CA -0.432 55.003 56.100 -1.107 0.000 0.895 280 R CB 2.008 31.419 30.300 -1.482 0.000 1.195 280 R HN 0.551 nan 8.270 nan 0.000 0.450 281 F N -0.405 119.214 119.950 -0.553 0.000 2.693 281 F HA 0.482 5.009 4.527 -0.001 0.000 0.309 281 F C -0.791 174.994 175.800 -0.025 0.000 1.129 281 F CA -1.333 56.520 58.000 -0.245 0.000 0.948 281 F CB 0.417 39.364 39.000 -0.089 0.000 1.315 281 F HN 0.301 nan 8.300 nan 0.000 0.447 282 C N 1.704 121.245 119.300 0.401 0.000 2.642 282 C HA 0.351 4.811 4.460 -0.001 0.000 0.420 282 C C 1.246 176.398 174.990 0.270 0.000 1.349 282 C CA 0.078 59.280 59.018 0.306 0.000 1.821 282 C CB 0.048 27.957 27.740 0.281 0.000 2.637 282 C HN 0.815 nan 8.230 nan 0.000 0.605 283 S N 5.741 121.486 115.700 0.075 0.000 3.455 283 S HA 0.348 4.817 4.470 -0.001 0.000 0.288 283 S C -0.309 174.431 174.600 0.234 0.000 1.231 283 S CA -0.164 58.095 58.200 0.098 0.000 1.031 283 S CB -1.086 62.068 63.200 -0.076 0.000 1.570 283 S HN 0.524 nan 8.310 nan 0.000 0.519 284 I N 3.047 123.824 120.570 0.345 0.000 2.607 284 I HA 0.278 4.448 4.170 -0.001 0.000 0.290 284 I C 0.967 177.197 176.117 0.188 0.000 1.129 284 I CA -1.005 60.449 61.300 0.258 0.000 1.042 284 I CB 1.544 39.704 38.000 0.268 0.000 1.242 284 I HN 0.263 nan 8.210 nan 0.000 0.421 285 N N 2.897 121.677 118.700 0.134 0.000 2.073 285 N HA -0.233 4.506 4.740 -0.001 0.000 0.199 285 N C 1.833 177.342 175.510 -0.002 0.000 1.023 285 N CA 2.597 55.671 53.050 0.041 0.000 0.880 285 N CB -0.012 38.526 38.487 0.085 0.000 1.052 285 N HN 0.827 nan 8.380 nan 0.000 0.449 286 S N -0.975 114.757 115.700 0.053 0.000 2.493 286 S HA 0.169 4.638 4.470 -0.001 0.000 0.243 286 S C 1.048 175.606 174.600 -0.069 0.000 0.991 286 S CA 0.830 59.063 58.200 0.055 0.000 0.957 286 S CB -0.192 63.119 63.200 0.187 0.000 0.756 286 S HN 0.634 nan 8.310 nan 0.000 0.521 287 G N -0.212 108.447 108.800 -0.234 0.000 2.361 287 G HA2 0.293 4.253 3.960 -0.001 0.000 0.305 287 G HA3 0.293 4.253 3.960 -0.001 0.000 0.305 287 G C -1.506 172.977 174.900 -0.695 0.000 1.367 287 G CA -1.081 43.718 45.100 -0.501 0.000 0.951 287 G HN 0.297 nan 8.290 nan 0.000 0.615 288 L N 1.798 122.630 121.223 -0.652 0.000 2.361 288 L HA 0.419 4.758 4.340 -0.001 0.000 0.278 288 L C 1.255 177.848 176.870 -0.462 0.000 1.113 288 L CA -0.734 53.764 54.840 -0.571 0.000 0.849 288 L CB 0.703 42.365 42.059 -0.662 0.000 1.155 288 L HN 0.626 nan 8.230 nan 0.000 0.452 289 H N 0.534 119.621 119.070 0.028 0.000 2.320 289 H HA 0.182 4.738 4.556 -0.001 0.000 0.318 289 H C 0.559 175.958 175.328 0.120 0.000 1.098 289 H CA 0.276 56.364 56.048 0.066 0.000 1.569 289 H CB 0.395 30.201 29.762 0.073 0.000 1.506 289 H HN 0.426 nan 8.280 nan 0.000 0.632 290 S N 1.503 117.369 115.700 0.277 0.000 3.700 290 S HA 0.109 4.579 4.470 -0.001 0.000 0.192 290 S C -0.604 174.056 174.600 0.099 0.000 1.430 290 S CA -0.286 58.022 58.200 0.179 0.000 0.999 290 S CB -1.116 62.163 63.200 0.131 0.000 1.411 290 S HN 0.220 nan 8.310 nan 0.000 0.491 291 Y N 2.988 123.308 120.300 0.033 0.000 2.377 291 Y HA 0.453 5.003 4.550 -0.001 0.000 0.330 291 Y C -0.018 175.881 175.900 -0.000 0.000 1.108 291 Y CA 0.110 58.214 58.100 0.006 0.000 1.308 291 Y CB 0.306 38.717 38.460 -0.081 0.000 1.216 291 Y HN 0.385 nan 8.280 nan 0.000 0.518 292 M N 5.851 125.218 119.600 -0.388 0.000 2.325 292 M HA 0.285 4.764 4.480 -0.001 0.000 0.285 292 M C -1.618 174.593 176.300 -0.148 0.000 1.119 292 M CA -0.590 54.659 55.300 -0.086 0.000 0.959 292 M CB 2.480 35.072 32.600 -0.014 0.000 1.737 292 M HN 0.493 nan 8.290 nan 0.000 0.486 293 E N 4.423 124.693 120.200 0.118 0.000 2.151 293 E HA 0.668 5.018 4.350 -0.001 0.000 0.275 293 E C -1.070 175.627 176.600 0.162 0.000 0.936 293 E CA -0.648 55.836 56.400 0.141 0.000 0.777 293 E CB 2.619 32.448 29.700 0.216 0.000 1.108 293 E HN 0.714 nan 8.360 nan 0.000 0.401 294 M N 3.890 123.509 119.600 0.031 0.000 2.190 294 M HA 0.417 4.896 4.480 -0.001 0.000 0.312 294 M C -2.794 173.436 176.300 -0.117 0.000 0.990 294 M CA -2.168 53.037 55.300 -0.159 0.000 0.927 294 M CB 2.099 34.212 32.600 -0.812 0.000 1.571 294 M HN 0.130 nan 8.290 nan 0.000 0.427 295 P HA 0.088 nan 4.420 nan 0.000 0.266 295 P C -1.314 175.908 177.300 -0.131 0.000 1.193 295 P CA 0.077 63.134 63.100 -0.071 0.000 0.770 295 P CB 0.664 32.501 31.700 0.229 0.000 0.836 296 L N 2.056 123.185 121.223 -0.157 0.000 2.386 296 L HA 0.432 4.772 4.340 -0.001 0.000 0.271 296 L C 0.445 177.280 176.870 -0.058 0.000 0.993 296 L CA -0.516 54.228 54.840 -0.160 0.000 0.819 296 L CB 2.303 44.197 42.059 -0.276 0.000 1.294 296 L HN 0.341 nan 8.230 nan 0.000 0.414 297 E N 1.545 121.727 120.200 -0.028 0.000 2.218 297 E HA 0.285 4.634 4.350 -0.001 0.000 0.263 297 E C -1.616 174.910 176.600 -0.124 0.000 0.879 297 E CA -0.415 55.956 56.400 -0.048 0.000 0.762 297 E CB 2.638 32.339 29.700 0.001 0.000 1.166 297 E HN 0.467 nan 8.360 nan 0.000 0.415 298 c N 5.539 123.970 118.600 -0.282 0.000 2.329 298 c HA 0.705 5.275 4.570 -0.001 0.000 0.329 298 c C -0.436 173.703 174.090 0.083 0.000 1.275 298 c CA -0.436 55.754 56.329 -0.232 0.000 1.726 298 c CB -0.933 41.262 42.510 -0.526 0.000 2.291 298 c HN 0.677 nan 8.230 nan 0.000 0.514 299 I N 3.774 124.400 120.570 0.094 0.000 2.934 299 I HA 0.517 4.686 4.170 -0.001 0.000 0.306 299 I C 0.099 176.338 176.117 0.204 0.000 1.110 299 I CA -0.802 60.600 61.300 0.170 0.000 1.019 299 I CB 1.513 39.545 38.000 0.053 0.000 1.227 299 I HN 0.486 nan 8.210 nan 0.000 0.434 300 L N 1.885 123.265 121.223 0.263 0.000 2.162 300 L HA 0.220 4.560 4.340 -0.001 0.000 0.205 300 L C 1.015 177.947 176.870 0.104 0.000 1.086 300 L CA 1.747 56.724 54.840 0.229 0.000 0.778 300 L CB -0.073 42.162 42.059 0.294 0.000 0.928 300 L HN 1.093 nan 8.230 nan 0.000 0.446 312 E N 2.957 123.135 120.200 -0.037 0.000 2.035 312 E HA 0.261 4.611 4.350 -0.001 0.000 0.271 312 E C -0.994 175.486 176.600 -0.201 0.000 0.953 312 E CA -0.610 55.721 56.400 -0.115 0.000 0.777 312 E CB 0.871 30.524 29.700 -0.079 0.000 1.104 312 E HN 0.263 nan 8.360 nan 0.000 0.408 313 V N 4.192 123.955 119.914 -0.251 0.000 2.539 313 V HA 0.397 4.517 4.120 -0.001 0.000 0.292 313 V C -0.285 175.593 176.094 -0.359 0.000 1.045 313 V CA -0.692 61.499 62.300 -0.181 0.000 0.945 313 V CB 0.922 32.710 31.823 -0.058 0.000 0.993 313 V HN 0.534 nan 8.190 nan 0.000 0.464 314 F N 4.284 124.248 119.950 0.022 0.000 2.307 314 F HA 0.364 4.890 4.527 -0.001 0.000 0.369 314 F C 1.314 177.204 175.800 0.150 0.000 1.076 314 F CA -0.742 57.315 58.000 0.094 0.000 1.149 314 F CB 0.691 39.769 39.000 0.131 0.000 1.410 314 F HN 0.625 nan 8.300 nan 0.000 0.481 315 N N 1.967 120.822 118.700 0.258 0.000 2.412 315 N HA 0.049 4.789 4.740 -0.001 0.000 0.184 315 N C 0.051 175.753 175.510 0.320 0.000 1.101 315 N CA 0.472 53.680 53.050 0.263 0.000 0.881 315 N CB 0.595 39.203 38.487 0.202 0.000 0.969 315 N HN 0.451 nan 8.380 nan 0.000 0.459 316 I N 1.865 122.636 120.570 0.336 0.000 2.428 316 I HA 0.189 4.359 4.170 -0.001 0.000 0.279 316 I C -0.404 175.835 176.117 0.203 0.000 1.040 316 I CA -0.978 60.465 61.300 0.237 0.000 1.171 316 I CB 1.426 39.507 38.000 0.136 0.000 1.312 316 I HN -0.057 nan 8.210 nan 0.000 0.470 317 L N 6.411 127.685 121.223 0.085 0.000 2.499 317 L HA 0.031 4.370 4.340 -0.001 0.000 0.273 317 L C 1.036 177.793 176.870 -0.188 0.000 1.195 317 L CA 1.089 55.712 54.840 -0.361 0.000 0.882 317 L CB 0.382 42.156 42.059 -0.475 0.000 1.133 317 L HN 0.583 nan 8.230 nan 0.000 0.483 318 Q N 4.329 123.998 119.800 -0.219 0.000 2.471 318 Q HA 0.494 4.833 4.340 -0.001 0.000 0.241 318 Q C -0.094 175.845 176.000 -0.102 0.000 0.886 318 Q CA 0.811 56.552 55.803 -0.104 0.000 0.953 318 Q CB 0.825 29.523 28.738 -0.066 0.000 1.108 318 Q HN 0.800 nan 8.270 nan 0.000 0.575 319 A N -0.301 122.425 122.820 -0.157 0.000 2.566 319 A HA 0.824 5.144 4.320 -0.001 0.000 0.290 319 A C -1.758 175.714 177.584 -0.187 0.000 1.071 319 A CA 0.023 51.980 52.037 -0.133 0.000 0.658 319 A CB 1.139 20.086 19.000 -0.087 0.000 1.285 319 A HN 0.090 nan 8.150 nan 0.000 0.427 320 A N -0.467 122.220 122.820 -0.223 0.000 2.582 320 A HA 0.675 4.995 4.320 -0.001 0.000 0.297 320 A C -1.772 175.623 177.584 -0.316 0.000 1.059 320 A CA -0.260 51.641 52.037 -0.227 0.000 0.705 320 A CB 0.620 19.485 19.000 -0.225 0.000 1.279 320 A HN 2.038 nan 8.150 nan 0.000 0.404 321 Y N 1.063 121.244 120.300 -0.198 0.000 2.570 321 Y HA 0.705 5.254 4.550 -0.001 0.000 0.345 321 Y C -0.976 174.898 175.900 -0.043 0.000 1.014 321 Y CA -0.774 57.248 58.100 -0.131 0.000 1.063 321 Y CB 2.212 40.656 38.460 -0.028 0.000 1.272 321 Y HN 0.641 nan 8.280 nan 0.000 0.477 322 V N 4.436 123.970 119.914 -0.634 0.000 2.531 322 V HA 0.704 4.823 4.120 -0.001 0.000 0.301 322 V C -0.849 175.031 176.094 -0.357 0.000 1.034 322 V CA -0.225 61.775 62.300 -0.501 0.000 0.865 322 V CB 1.106 32.415 31.823 -0.856 0.000 0.995 322 V HN 0.848 nan 8.190 nan 0.000 0.424 323 S N 4.098 119.817 115.700 0.032 0.000 2.672 323 S HA 0.771 5.241 4.470 -0.001 0.000 0.271 323 S C -1.131 173.561 174.600 0.153 0.000 1.171 323 S CA -1.116 57.202 58.200 0.196 0.000 0.817 323 S CB 2.038 65.549 63.200 0.520 0.000 1.150 323 S HN 0.413 nan 8.310 nan 0.000 0.478 324 K N 1.591 122.076 120.400 0.141 0.000 2.098 324 K HA 0.666 4.985 4.320 -0.001 0.000 0.257 324 K C -2.431 174.258 176.600 0.148 0.000 0.999 324 K CA -1.803 54.536 56.287 0.086 0.000 0.924 324 K CB 0.572 33.099 32.500 0.045 0.000 1.028 324 K HN 0.524 nan 8.250 nan 0.000 0.466 325 P HA 0.253 nan 4.420 nan 0.000 0.281 325 P C -0.513 176.820 177.300 0.055 0.000 1.264 325 P CA -0.679 62.491 63.100 0.118 0.000 0.824 325 P CB 1.162 32.907 31.700 0.074 0.000 1.092 326 G N -0.638 108.181 108.800 0.031 0.000 2.477 326 G HA2 0.409 4.368 3.960 -0.001 0.000 0.304 326 G HA3 0.409 4.368 3.960 -0.001 0.000 0.304 326 G C 1.107 176.006 174.900 -0.002 0.000 1.175 326 G CA -0.115 44.986 45.100 0.002 0.000 0.907 326 G HN 0.470 nan 8.290 nan 0.000 0.509 327 A N -0.240 122.576 122.820 -0.007 0.000 1.892 327 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 327 A C 2.197 179.774 177.584 -0.012 0.000 1.188 327 A CA 2.231 54.264 52.037 -0.007 0.000 0.631 327 A CB -0.748 18.248 19.000 -0.006 0.000 0.822 327 A HN 0.710 nan 8.150 nan 0.000 0.447 328 Q N -0.756 119.030 119.800 -0.023 0.000 2.002 328 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 328 Q C 2.179 178.164 176.000 -0.026 0.000 0.988 328 Q CA 1.701 57.486 55.803 -0.030 0.000 0.843 328 Q CB -0.279 28.428 28.738 -0.051 0.000 0.908 328 Q HN 0.685 nan 8.270 nan 0.000 0.420 329 L N 0.162 121.370 121.223 -0.026 0.000 2.042 329 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 329 L C 2.367 179.236 176.870 -0.001 0.000 1.076 329 L CA 1.316 56.150 54.840 -0.010 0.000 0.749 329 L CB -0.656 41.414 42.059 0.018 0.000 0.893 329 L HN 0.340 nan 8.230 nan 0.000 0.432 330 A N 0.025 122.846 122.820 0.002 0.000 1.837 330 A HA -0.335 3.985 4.320 -0.001 0.000 0.216 330 A C 2.271 179.855 177.584 0.000 0.000 1.210 330 A CA 2.135 54.172 52.037 0.000 0.000 0.632 330 A CB -0.955 18.044 19.000 -0.001 0.000 0.843 330 A HN 0.426 nan 8.150 nan 0.000 0.448 331 R N -0.718 119.782 120.500 -0.001 0.000 2.224 331 R HA -0.330 4.009 4.340 -0.001 0.000 0.255 331 R C 2.463 178.764 176.300 0.001 0.000 1.130 331 R CA 2.600 58.700 56.100 0.001 0.000 0.957 331 R CB -0.425 29.873 30.300 -0.004 0.000 0.907 331 R HN 0.793 nan 8.270 nan 0.000 0.446 332 Q N -0.701 119.095 119.800 -0.007 0.000 2.119 332 Q HA -0.126 4.213 4.340 -0.001 0.000 0.201 332 Q C 1.683 177.677 176.000 -0.010 0.000 0.972 332 Q CA 1.608 57.404 55.803 -0.013 0.000 0.847 332 Q CB 0.091 28.814 28.738 -0.025 0.000 0.903 332 Q HN 0.528 nan 8.270 nan 0.000 0.433 333 I N -4.691 115.878 120.570 -0.001 0.000 4.018 333 I HA 0.481 4.651 4.170 -0.001 0.000 0.337 333 I C 0.990 177.164 176.117 0.094 0.000 1.327 333 I CA 0.476 61.781 61.300 0.009 0.000 1.100 333 I CB 0.888 38.870 38.000 -0.030 0.000 1.025 333 I HN 0.096 nan 8.210 nan 0.000 0.396 334 G N 0.255 109.115 108.800 0.100 0.000 2.229 334 G HA2 0.223 4.183 3.960 -0.001 0.000 0.189 334 G HA3 0.223 4.183 3.960 -0.001 0.000 0.189 334 G C 0.682 175.634 174.900 0.087 0.000 1.000 334 G CA -0.163 45.057 45.100 0.200 0.000 0.663 334 G HN 1.370 nan 8.290 nan 0.000 0.493 335 A N -0.807 122.025 122.820 0.020 0.000 5.950 335 A HA 0.391 4.710 4.320 -0.001 0.000 0.259 335 A C 1.723 179.284 177.584 -0.037 0.000 2.176 335 A CA 2.401 54.435 52.037 -0.005 0.000 0.709 335 A CB -1.684 17.323 19.000 0.012 0.000 1.054 335 A HN 2.931 nan 8.150 nan 0.000 0.357 336 S N -2.676 113.010 115.700 -0.023 0.000 3.715 336 S HA -0.060 4.410 4.470 -0.001 0.000 0.677 336 S C 0.566 175.150 174.600 -0.026 0.000 0.537 336 S CA 0.743 58.925 58.200 -0.029 0.000 1.443 336 S CB -1.628 61.541 63.200 -0.051 0.000 0.888 336 S HN 2.327 nan 8.310 nan 0.000 1.014 337 L N 2.567 123.782 121.223 -0.013 0.000 2.171 337 L HA -0.171 4.169 4.340 -0.001 0.000 0.216 337 L C 1.594 178.458 176.870 -0.009 0.000 1.084 337 L CA 2.706 57.542 54.840 -0.008 0.000 0.771 337 L CB -0.638 41.419 42.059 -0.004 0.000 0.890 337 L HN 0.896 nan 8.230 nan 0.000 0.437 338 N N 0.258 118.948 118.700 -0.016 0.000 2.761 338 N HA 0.105 4.844 4.740 -0.001 0.000 0.317 338 N C -0.971 174.521 175.510 -0.031 0.000 1.546 338 N CA -0.194 52.846 53.050 -0.018 0.000 1.015 338 N CB 0.161 38.640 38.487 -0.013 0.000 1.343 338 N HN 0.105 nan 8.380 nan 0.000 0.504 339 D N -0.392 119.982 120.400 -0.043 0.000 2.481 339 D HA 0.195 4.834 4.640 -0.001 0.000 0.244 339 D C -1.118 175.132 176.300 -0.084 0.000 1.057 339 D CA -0.395 53.562 54.000 -0.073 0.000 0.848 339 D CB 1.629 42.363 40.800 -0.110 0.000 1.388 339 D HN 0.215 nan 8.370 nan 0.000 0.475 340 D N 1.890 122.226 120.400 -0.105 0.000 2.312 340 D HA 0.298 4.938 4.640 -0.001 0.000 0.252 340 D C -0.046 176.127 176.300 -0.211 0.000 1.150 340 D CA 0.093 54.008 54.000 -0.143 0.000 0.870 340 D CB 1.159 41.874 40.800 -0.142 0.000 1.153 340 D HN 0.236 nan 8.370 nan 0.000 0.457 341 I N 1.987 122.397 120.570 -0.267 0.000 2.509 341 I HA 0.160 4.329 4.170 -0.001 0.000 0.293 341 I C -0.481 175.315 176.117 -0.536 0.000 1.020 341 I CA -0.951 60.092 61.300 -0.429 0.000 1.088 341 I CB 2.050 39.682 38.000 -0.614 0.000 1.267 341 I HN 0.138 nan 8.210 nan 0.000 0.430 342 L N 7.042 128.011 121.223 -0.425 0.000 2.282 342 L HA 0.498 4.837 4.340 -0.001 0.000 0.287 342 L C -1.217 175.511 176.870 -0.237 0.000 1.075 342 L CA 0.346 55.003 54.840 -0.305 0.000 0.839 342 L CB -0.439 41.534 42.059 -0.143 0.000 1.219 342 L HN 0.269 nan 8.230 nan 0.000 0.434 343 F N 3.856 123.820 119.950 0.024 0.000 2.445 343 F HA 0.572 5.099 4.527 -0.001 0.000 0.359 343 F C 1.246 177.085 175.800 0.065 0.000 1.101 343 F CA -0.053 57.987 58.000 0.066 0.000 1.177 343 F CB 1.142 40.170 39.000 0.047 0.000 1.110 343 F HN 0.624 nan 8.300 nan 0.000 0.522 344 G N 3.058 112.042 108.800 0.307 0.000 2.626 344 G HA2 0.513 4.472 3.960 -0.001 0.000 0.304 344 G HA3 0.513 4.472 3.960 -0.001 0.000 0.304 344 G C -1.512 173.447 174.900 0.097 0.000 1.385 344 G CA -0.589 44.577 45.100 0.110 0.000 0.957 344 G HN 0.448 nan 8.290 nan 0.000 0.504 345 V N 3.555 123.416 119.914 -0.089 0.000 2.368 345 V HA 0.430 4.550 4.120 -0.001 0.000 0.266 345 V C -0.322 175.688 176.094 -0.140 0.000 1.045 345 V CA -0.125 62.167 62.300 -0.012 0.000 0.899 345 V CB -0.126 31.676 31.823 -0.036 0.000 1.006 345 V HN 0.551 nan 8.190 nan 0.000 0.470 346 F N 2.898 122.870 119.950 0.038 0.000 2.450 346 F HA 0.913 5.439 4.527 -0.001 0.000 0.361 346 F C 0.558 176.418 175.800 0.100 0.000 1.092 346 F CA -0.311 57.742 58.000 0.088 0.000 1.105 346 F CB 1.272 40.368 39.000 0.159 0.000 1.458 346 F HN 0.498 nan 8.300 nan 0.000 0.496 347 A N 0.166 123.289 122.820 0.506 0.000 2.599 347 A HA 0.465 4.784 4.320 -0.001 0.000 0.294 347 A C -1.633 176.260 177.584 0.514 0.000 1.055 347 A CA -0.729 51.601 52.037 0.487 0.000 0.683 347 A CB 1.261 20.405 19.000 0.241 0.000 1.278 347 A HN 0.638 nan 8.150 nan 0.000 0.412 348 Q N 0.825 120.879 119.800 0.423 0.000 2.261 348 Q HA 0.547 4.886 4.340 -0.001 0.000 0.252 348 Q C 0.005 176.050 176.000 0.074 0.000 0.915 348 Q CA -0.202 55.652 55.803 0.085 0.000 0.915 348 Q CB 1.055 29.716 28.738 -0.130 0.000 1.204 348 Q HN 0.821 nan 8.270 nan 0.000 0.421 349 S N 2.875 118.600 115.700 0.041 0.000 2.549 349 S HA 0.149 4.618 4.470 -0.001 0.000 0.279 349 S C -0.546 174.063 174.600 0.015 0.000 1.321 349 S CA -0.393 57.828 58.200 0.034 0.000 1.054 349 S CB 0.418 63.651 63.200 0.054 0.000 0.899 349 S HN 0.504 nan 8.310 nan 0.000 0.497 350 K N 4.674 125.078 120.400 0.007 0.000 2.416 350 K HA 0.167 4.487 4.320 -0.001 0.000 0.283 350 K C -2.425 174.183 176.600 0.013 0.000 1.037 350 K CA -1.257 55.033 56.287 0.006 0.000 0.995 350 K CB 0.195 32.693 32.500 -0.003 0.000 0.938 350 K HN 0.410 nan 8.250 nan 0.000 0.475 351 P HA -0.079 nan 4.420 nan 0.000 0.264 351 P C -0.783 176.546 177.300 0.049 0.000 1.183 351 P CA 0.609 63.728 63.100 0.032 0.000 0.763 351 P CB 0.378 32.093 31.700 0.024 0.000 0.807 352 D N -0.666 119.780 120.400 0.077 0.000 3.076 352 D HA -0.148 4.491 4.640 -0.001 0.000 0.218 352 D C 0.118 176.496 176.300 0.130 0.000 1.156 352 D CA 1.932 56.003 54.000 0.118 0.000 0.921 352 D CB -1.402 39.459 40.800 0.101 0.000 1.113 352 D HN 0.457 nan 8.370 nan 0.000 0.418 353 S N -2.069 113.673 115.700 0.070 0.000 2.851 353 S HA 0.868 5.338 4.470 -0.001 0.000 0.317 353 S C 0.521 174.952 174.600 -0.280 0.000 1.144 353 S CA 0.008 58.160 58.200 -0.079 0.000 0.862 353 S CB 2.023 65.173 63.200 -0.083 0.000 1.259 353 S HN 0.293 nan 8.310 nan 0.000 0.564 354 A N -0.206 122.259 122.820 -0.591 0.000 2.312 354 A HA 0.480 4.800 4.320 -0.001 0.000 0.215 354 A C 0.032 177.420 177.584 -0.328 0.000 1.256 354 A CA -0.159 51.432 52.037 -0.745 0.000 0.966 354 A CB -0.381 17.736 19.000 -1.471 0.000 1.053 354 A HN 0.770 nan 8.150 nan 0.000 0.510 355 E N 1.919 121.980 120.200 -0.232 0.000 2.392 355 E HA 0.324 4.673 4.350 -0.001 0.000 0.264 355 E C -2.535 174.031 176.600 -0.057 0.000 1.024 355 E CA -1.330 55.000 56.400 -0.117 0.000 0.903 355 E CB 0.602 30.250 29.700 -0.087 0.000 0.963 355 E HN 0.300 nan 8.360 nan 0.000 0.432 356 P HA 0.172 nan 4.420 nan 0.000 0.296 356 P C -0.853 176.466 177.300 0.031 0.000 1.301 356 P CA -0.492 62.622 63.100 0.023 0.000 0.862 356 P CB 1.033 32.755 31.700 0.038 0.000 1.046 357 M N 1.423 121.054 119.600 0.052 0.000 2.197 357 M HA 0.147 4.627 4.480 -0.001 0.000 0.305 357 M C 0.532 176.878 176.300 0.076 0.000 1.162 357 M CA -0.138 55.194 55.300 0.054 0.000 1.099 357 M CB 0.315 32.948 32.600 0.054 0.000 1.430 357 M HN 0.226 nan 8.290 nan 0.000 0.481 358 D N 2.038 122.478 120.400 0.067 0.000 2.977 358 D HA 0.093 4.733 4.640 -0.001 0.000 0.241 358 D C -0.496 175.870 176.300 0.109 0.000 1.206 358 D CA 0.524 54.567 54.000 0.072 0.000 0.902 358 D CB -0.334 40.496 40.800 0.050 0.000 1.131 358 D HN 0.233 nan 8.370 nan 0.000 0.447 359 R N 0.237 120.837 120.500 0.166 0.000 2.409 359 R HA 0.453 4.793 4.340 -0.001 0.000 0.313 359 R C -0.569 175.924 176.300 0.321 0.000 0.953 359 R CA -0.395 55.866 56.100 0.268 0.000 0.849 359 R CB 1.747 32.249 30.300 0.337 0.000 1.171 359 R HN -0.068 nan 8.270 nan 0.000 0.458 360 S N 0.886 116.682 115.700 0.160 0.000 2.599 360 S HA 0.880 5.350 4.470 -0.001 0.000 0.294 360 S C -1.233 173.172 174.600 -0.325 0.000 1.094 360 S CA -0.764 57.416 58.200 -0.033 0.000 0.931 360 S CB 2.235 65.434 63.200 -0.001 0.000 1.093 360 S HN 0.705 nan 8.310 nan 0.000 0.488 361 A N 2.219 124.765 122.820 -0.456 0.000 2.540 361 A HA 0.693 5.012 4.320 -0.001 0.000 0.297 361 A C -1.140 176.442 177.584 -0.003 0.000 1.056 361 A CA -0.537 51.294 52.037 -0.342 0.000 0.700 361 A CB 1.495 19.923 19.000 -0.952 0.000 1.280 361 A HN 0.719 nan 8.150 nan 0.000 0.398 362 M N 2.258 121.986 119.600 0.213 0.000 2.436 362 M HA 0.720 5.199 4.480 -0.001 0.000 0.331 362 M C -0.976 175.372 176.300 0.081 0.000 1.135 362 M CA -0.352 55.087 55.300 0.232 0.000 0.987 362 M CB 1.250 34.027 32.600 0.294 0.000 1.687 362 M HN 1.378 nan 8.290 nan 0.000 0.445 363 c N 2.040 120.743 118.600 0.172 0.000 3.170 363 c HA 0.961 5.530 4.570 -0.001 0.000 0.319 363 c C -0.735 173.357 174.090 0.003 0.000 1.260 363 c CA -0.922 55.393 56.329 -0.023 0.000 1.374 363 c CB 0.924 43.327 42.510 -0.180 0.000 1.739 363 c HN 1.091 nan 8.230 nan 0.000 0.479 364 A N 1.387 124.059 122.820 -0.247 0.000 2.331 364 A HA 0.880 5.200 4.320 -0.001 0.000 0.320 364 A C -1.283 176.021 177.584 -0.467 0.000 1.138 364 A CA -0.262 51.614 52.037 -0.269 0.000 0.790 364 A CB 0.419 19.225 19.000 -0.324 0.000 1.206 364 A HN 0.797 nan 8.150 nan 0.000 0.470 365 F N 2.908 122.733 119.950 -0.208 0.000 2.427 365 F HA 0.453 4.979 4.527 -0.001 0.000 0.348 365 F C -2.405 173.268 175.800 -0.211 0.000 1.125 365 F CA -2.510 55.403 58.000 -0.145 0.000 0.989 365 F CB 1.961 40.907 39.000 -0.091 0.000 1.165 365 F HN 0.289 nan 8.300 nan 0.000 0.442 366 P HA 0.112 nan 4.420 nan 0.000 0.276 366 P C 1.004 178.235 177.300 -0.115 0.000 1.235 366 P CA -0.228 62.767 63.100 -0.176 0.000 0.772 366 P CB 0.717 32.225 31.700 -0.319 0.000 0.871 367 I N 2.965 123.449 120.570 -0.142 0.000 2.614 367 I HA -0.190 3.980 4.170 -0.001 0.000 0.258 367 I C 1.803 177.902 176.117 -0.030 0.000 1.189 367 I CA 1.323 62.564 61.300 -0.099 0.000 1.462 367 I CB -0.708 37.169 38.000 -0.206 0.000 1.092 367 I HN 0.207 nan 8.210 nan 0.000 0.442 368 K N 1.288 121.612 120.400 -0.127 0.000 2.097 368 K HA -0.239 4.080 4.320 -0.001 0.000 0.206 368 K C 1.898 178.500 176.600 0.003 0.000 1.049 368 K CA 1.984 58.203 56.287 -0.113 0.000 0.933 368 K CB -0.702 31.643 32.500 -0.259 0.000 0.717 368 K HN 0.601 nan 8.250 nan 0.000 0.442 369 Y N 1.049 121.390 120.300 0.069 0.000 2.243 369 Y HA -0.141 4.409 4.550 -0.000 0.000 0.293 369 Y C 2.591 178.564 175.900 0.122 0.000 1.124 369 Y CA 0.305 58.459 58.100 0.090 0.000 1.159 369 Y CB -0.020 38.475 38.460 0.058 0.000 1.008 369 Y HN -0.208 nan 8.280 nan 0.000 0.527 370 V N 0.950 121.008 119.914 0.241 0.000 2.250 370 V HA -0.418 3.701 4.120 -0.001 0.000 0.253 370 V C 1.874 178.132 176.094 0.273 0.000 1.065 370 V CA 2.230 64.631 62.300 0.168 0.000 1.039 370 V CB -0.743 31.167 31.823 0.144 0.000 0.647 370 V HN 0.504 nan 8.190 nan 0.000 0.446 371 N N 0.243 119.126 118.700 0.306 0.000 2.069 371 N HA -0.177 4.562 4.740 -0.001 0.000 0.191 371 N C 1.545 177.216 175.510 0.269 0.000 1.031 371 N CA 1.831 55.057 53.050 0.294 0.000 0.852 371 N CB -0.646 37.972 38.487 0.219 0.000 1.018 371 N HN 0.536 nan 8.380 nan 0.000 0.423 372 D N 0.384 120.941 120.400 0.262 0.000 2.106 372 D HA -0.152 4.488 4.640 -0.001 0.000 0.191 372 D C 1.785 178.216 176.300 0.219 0.000 0.997 372 D CA 0.704 54.843 54.000 0.232 0.000 0.834 372 D CB -0.684 40.273 40.800 0.262 0.000 0.956 372 D HN 0.184 nan 8.370 nan 0.000 0.448 373 F N -0.141 119.856 119.950 0.079 0.000 2.202 373 F HA -0.154 4.373 4.527 -0.001 0.000 0.301 373 F C 2.139 177.952 175.800 0.021 0.000 1.082 373 F CA 1.130 59.139 58.000 0.016 0.000 1.313 373 F CB -0.225 38.715 39.000 -0.101 0.000 1.024 373 F HN -0.088 nan 8.300 nan 0.000 0.495 374 F N -0.216 119.806 119.950 0.120 0.000 2.187 374 F HA -0.192 4.335 4.527 -0.000 0.000 0.295 374 F C 2.190 178.046 175.800 0.094 0.000 1.091 374 F CA 0.850 58.815 58.000 -0.058 0.000 1.308 374 F CB -0.314 38.566 39.000 -0.199 0.000 1.030 374 F HN -0.106 nan 8.300 nan 0.000 0.487 375 N N 0.236 119.091 118.700 0.258 0.000 2.148 375 N HA -0.049 4.690 4.740 -0.001 0.000 0.186 375 N C 0.670 176.252 175.510 0.120 0.000 1.031 375 N CA 0.727 53.876 53.050 0.165 0.000 0.848 375 N CB -0.470 38.095 38.487 0.131 0.000 1.005 375 N HN -0.023 nan 8.380 nan 0.000 0.427 376 K N 0.926 121.375 120.400 0.081 0.000 2.397 376 K HA 0.205 4.525 4.320 -0.001 0.000 0.265 376 K C 0.605 177.193 176.600 -0.021 0.000 0.982 376 K CA 0.070 56.368 56.287 0.018 0.000 0.931 376 K CB -0.139 32.353 32.500 -0.013 0.000 0.943 376 K HN 0.114 nan 8.250 nan 0.000 0.501 383 V N 2.851 122.616 119.914 -0.248 0.000 2.487 383 V HA 0.525 4.645 4.120 -0.001 0.000 0.298 383 V C 0.261 176.295 176.094 -0.100 0.000 1.028 383 V CA -0.541 61.585 62.300 -0.290 0.000 0.860 383 V CB 1.669 33.292 31.823 -0.334 0.000 0.991 383 V HN 0.285 nan 8.190 nan 0.000 0.427 384 R N 1.936 122.425 120.500 -0.019 0.000 2.611 384 R HA 0.655 4.995 4.340 -0.001 0.000 0.243 384 R C -0.237 176.135 176.300 0.121 0.000 1.260 384 R CA -0.113 56.025 56.100 0.063 0.000 1.095 384 R CB 1.169 31.526 30.300 0.096 0.000 1.259 384 R HN 0.802 nan 8.270 nan 0.000 0.575 385 c N 0.180 118.875 118.600 0.158 0.000 2.802 385 c HA 0.459 5.029 4.570 -0.001 0.000 0.307 385 c C -0.449 173.800 174.090 0.265 0.000 1.222 385 c CA -1.008 55.456 56.329 0.225 0.000 1.580 385 c CB 0.691 43.301 42.510 0.167 0.000 2.119 385 c HN 0.675 nan 8.230 nan 0.000 0.479 386 L N 3.734 125.181 121.223 0.373 0.000 2.574 386 L HA 0.144 4.484 4.340 -0.001 0.000 0.281 386 L C 1.788 178.698 176.870 0.066 0.000 1.212 386 L CA 0.768 55.719 54.840 0.186 0.000 1.082 386 L CB -0.301 41.804 42.059 0.078 0.000 1.362 386 L HN 0.938 nan 8.230 nan 0.000 0.451 387 Q N 0.904 120.734 119.800 0.051 0.000 2.234 387 Q HA -0.209 4.131 4.340 -0.001 0.000 0.206 387 Q C 1.632 177.568 176.000 -0.106 0.000 0.980 387 Q CA 1.846 57.654 55.803 0.008 0.000 0.869 387 Q CB 0.081 28.822 28.738 0.004 0.000 0.912 387 Q HN 0.827 nan 8.270 nan 0.000 0.436 388 H N -2.563 116.506 119.070 -0.000 0.000 2.553 388 H HA 0.016 4.572 4.556 -0.001 0.000 0.265 388 H C 1.184 176.608 175.328 0.159 0.000 0.964 388 H CA 0.516 56.540 56.048 -0.041 0.000 1.156 388 H CB 0.010 29.783 29.762 0.017 0.000 1.411 388 H HN 0.367 nan 8.280 nan 0.000 0.558 389 F N 0.884 120.648 119.950 -0.310 0.000 2.537 389 F HA 0.287 4.814 4.527 -0.001 0.000 0.277 389 F C 0.159 175.839 175.800 -0.200 0.000 1.013 389 F CA -0.690 57.155 58.000 -0.257 0.000 1.332 389 F CB 0.137 38.831 39.000 -0.511 0.000 1.108 389 F HN -0.142 nan 8.300 nan 0.000 0.679 390 Y N 1.046 121.175 120.300 -0.284 0.000 2.340 390 Y HA 0.489 5.039 4.550 -0.001 0.000 0.327 390 Y C 1.338 177.197 175.900 -0.067 0.000 1.321 390 Y CA -0.782 57.159 58.100 -0.266 0.000 1.433 390 Y CB -0.040 38.407 38.460 -0.023 0.000 1.373 390 Y HN 0.085 nan 8.280 nan 0.000 0.538 391 G N 0.346 109.257 108.800 0.186 0.000 2.636 391 G HA2 0.178 4.137 3.960 -0.001 0.000 0.246 391 G HA3 0.178 4.137 3.960 -0.001 0.000 0.246 391 G C -2.092 172.890 174.900 0.136 0.000 1.216 391 G CA -1.054 44.144 45.100 0.162 0.000 0.854 391 G HN 0.426 nan 8.290 nan 0.000 0.572 392 P HA -0.035 nan 4.420 nan 0.000 0.223 392 P C 0.634 177.939 177.300 0.008 0.000 1.151 392 P CA 0.822 63.951 63.100 0.048 0.000 0.787 392 P CB 0.333 32.052 31.700 0.031 0.000 0.788 393 N N -2.277 116.423 118.700 0.000 0.000 2.813 393 N HA 0.236 4.975 4.740 -0.001 0.000 0.320 393 N C -0.634 174.888 175.510 0.021 0.000 1.315 393 N CA -0.591 52.411 53.050 -0.080 0.000 0.871 393 N CB 0.598 39.035 38.487 -0.083 0.000 1.241 393 N HN -0.084 nan 8.380 nan 0.000 0.602 394 H N -0.056 118.908 119.070 -0.177 0.000 4.734 394 H HA -0.163 4.392 4.556 -0.001 0.000 0.252 394 H C -0.267 174.986 175.328 -0.124 0.000 0.525 394 H CA 0.731 56.703 56.048 -0.126 0.000 0.682 394 H CB -0.114 29.611 29.762 -0.061 0.000 0.876 394 H HN 0.522 nan 8.280 nan 0.000 0.317 395 E N 1.734 121.787 120.200 -0.245 0.000 2.494 395 E HA -0.106 4.244 4.350 -0.001 0.000 0.262 395 E C 1.017 177.398 176.600 -0.366 0.000 1.294 395 E CA 0.662 56.843 56.400 -0.364 0.000 1.062 395 E CB 0.229 29.583 29.700 -0.578 0.000 0.982 395 E HN 0.836 nan 8.360 nan 0.000 0.495 396 H N -2.085 116.915 119.070 -0.117 0.000 5.017 396 H HA -0.243 4.313 4.556 -0.001 0.000 0.071 396 H C 1.627 176.848 175.328 -0.179 0.000 0.562 396 H CA 1.678 57.604 56.048 -0.204 0.000 1.051 396 H CB -1.796 27.664 29.762 -0.503 0.000 0.480 396 H HN 0.628 nan 8.280 nan 0.000 0.749 397 c N 1.157 119.714 118.600 -0.072 0.000 2.464 397 c HA 0.038 4.607 4.570 -0.001 0.000 0.278 397 c C 1.529 175.763 174.090 0.240 0.000 1.375 397 c CA 0.367 56.717 56.329 0.035 0.000 1.761 397 c CB -1.197 41.331 42.510 0.029 0.000 1.944 397 c HN 0.343 nan 8.230 nan 0.000 0.509 398 F N 1.570 121.475 119.950 -0.075 0.000 2.975 398 F HA 0.356 4.882 4.527 -0.001 0.000 0.311 398 F C 0.821 176.582 175.800 -0.065 0.000 1.239 398 F CA -0.445 57.518 58.000 -0.063 0.000 1.282 398 F CB -0.997 37.961 39.000 -0.071 0.000 1.071 398 F HN 0.327 nan 8.300 nan 0.000 0.516 399 N N -0.742 117.987 118.700 0.047 0.000 2.356 399 N HA 0.312 5.051 4.740 -0.001 0.000 0.110 399 N C -0.077 175.439 175.510 0.010 0.000 1.739 399 N CA -0.382 52.679 53.050 0.017 0.000 1.227 399 N CB 0.814 39.324 38.487 0.039 0.000 1.075 399 N HN -0.144 nan 8.380 nan 0.000 0.322 415 E N -0.507 119.721 120.200 0.046 0.000 2.132 415 E HA 0.115 4.464 4.350 -0.001 0.000 0.193 415 E C -0.127 176.427 176.600 -0.077 0.000 0.951 415 E CA 0.644 56.943 56.400 -0.168 0.000 0.843 415 E CB 0.399 29.787 29.700 -0.520 0.000 0.807 415 E HN 0.368 nan 8.360 nan 0.000 0.467 416 Y N 0.225 120.610 120.300 0.142 0.000 2.453 416 Y HA 0.685 5.235 4.550 -0.001 0.000 0.326 416 Y C 0.069 176.094 175.900 0.208 0.000 1.186 416 Y CA -1.601 56.627 58.100 0.213 0.000 1.200 416 Y CB 0.509 39.075 38.460 0.177 0.000 1.247 416 Y HN -0.308 nan 8.280 nan 0.000 0.482 417 R N 0.518 121.312 120.500 0.490 0.000 2.468 417 R HA 0.495 4.834 4.340 -0.001 0.000 0.302 417 R C -1.277 175.259 176.300 0.393 0.000 1.041 417 R CA -0.503 55.783 56.100 0.311 0.000 0.899 417 R CB 1.177 31.412 30.300 -0.108 0.000 1.167 417 R HN 0.830 nan 8.270 nan 0.000 0.483 418 T N -0.592 114.185 114.554 0.371 0.000 2.756 418 T HA 0.412 4.761 4.350 -0.001 0.000 0.290 418 T C 0.044 175.002 174.700 0.430 0.000 0.985 418 T CA -0.912 61.405 62.100 0.362 0.000 0.955 418 T CB 1.656 70.723 68.868 0.333 0.000 0.930 418 T HN 0.375 nan 8.240 nan 0.000 0.451 419 E N 1.774 122.203 120.200 0.382 0.000 2.349 419 E HA 0.478 4.828 4.350 -0.001 0.000 0.265 419 E C -1.053 175.846 176.600 0.499 0.000 1.064 419 E CA -0.693 55.952 56.400 0.408 0.000 0.886 419 E CB 0.611 30.492 29.700 0.302 0.000 1.036 419 E HN 0.490 nan 8.360 nan 0.000 0.413 420 F N 0.342 120.392 119.950 0.166 0.000 2.492 420 F HA 0.215 4.742 4.527 -0.001 0.000 0.327 420 F C 1.241 177.118 175.800 0.129 0.000 1.079 420 F CA -0.665 57.415 58.000 0.133 0.000 0.967 420 F CB 2.044 41.122 39.000 0.130 0.000 1.169 420 F HN 0.469 nan 8.300 nan 0.000 0.472 421 T N -2.840 111.824 114.554 0.183 0.000 3.057 421 T HA 0.102 4.451 4.350 -0.001 0.000 0.254 421 T C 0.539 175.331 174.700 0.154 0.000 1.094 421 T CA 0.497 62.675 62.100 0.129 0.000 1.088 421 T CB -0.305 68.588 68.868 0.043 0.000 0.934 421 T HN 0.575 nan 8.240 nan 0.000 0.497 422 T N 0.087 114.774 114.554 0.222 0.000 2.887 422 T HA 0.812 5.162 4.350 -0.001 0.000 0.288 422 T C -0.244 174.639 174.700 0.304 0.000 1.021 422 T CA -0.952 61.289 62.100 0.236 0.000 1.000 422 T CB 1.961 70.965 68.868 0.226 0.000 1.034 422 T HN 0.277 nan 8.240 nan 0.000 0.467 423 A N 2.519 125.445 122.820 0.177 0.000 2.313 423 A HA 0.658 4.977 4.320 -0.001 0.000 0.261 423 A C 0.020 177.494 177.584 -0.183 0.000 1.090 423 A CA -0.921 51.141 52.037 0.041 0.000 0.807 423 A CB 0.245 19.275 19.000 0.050 0.000 1.055 423 A HN 1.006 nan 8.150 nan 0.000 0.492 424 L N 1.649 122.598 121.223 -0.456 0.000 2.255 424 L HA 0.322 4.662 4.340 -0.001 0.000 0.289 424 L C 0.246 177.026 176.870 -0.150 0.000 1.046 424 L CA -0.394 54.050 54.840 -0.661 0.000 0.816 424 L CB 0.678 42.246 42.059 -0.820 0.000 1.197 424 L HN 0.948 nan 8.230 nan 0.000 0.427 425 Q N 5.885 125.614 119.800 -0.118 0.000 2.235 425 Q HA 0.662 5.002 4.340 -0.001 0.000 0.256 425 Q C -1.299 174.627 176.000 -0.124 0.000 0.951 425 Q CA -0.982 54.790 55.803 -0.052 0.000 0.890 425 Q CB 2.441 31.153 28.738 -0.043 0.000 1.279 425 Q HN 0.520 nan 8.270 nan 0.000 0.444 426 R N 0.873 121.256 120.500 -0.194 0.000 2.739 426 R HA 0.507 4.847 4.340 -0.001 0.000 0.271 426 R C -0.952 175.214 176.300 -0.223 0.000 1.010 426 R CA -0.724 55.189 56.100 -0.311 0.000 0.897 426 R CB 2.081 31.975 30.300 -0.676 0.000 1.236 426 R HN 0.689 nan 8.270 nan 0.000 0.466 427 V N -0.659 119.144 119.914 -0.185 0.000 2.716 427 V HA 0.271 4.391 4.120 -0.001 0.000 0.304 427 V C 0.441 176.464 176.094 -0.117 0.000 1.053 427 V CA -1.018 61.217 62.300 -0.108 0.000 0.984 427 V CB 1.389 33.167 31.823 -0.074 0.000 1.021 427 V HN 0.595 nan 8.190 nan 0.000 0.467 428 D N 1.119 121.483 120.400 -0.060 0.000 2.533 428 D HA 0.005 4.645 4.640 -0.001 0.000 0.236 428 D C 0.528 176.773 176.300 -0.091 0.000 1.137 428 D CA 0.473 54.437 54.000 -0.060 0.000 0.867 428 D CB 0.997 41.793 40.800 -0.007 0.000 1.170 428 D HN 0.566 nan 8.370 nan 0.000 0.474 429 L N 3.319 124.428 121.223 -0.190 0.000 2.567 429 L HA 0.123 4.463 4.340 -0.001 0.000 0.225 429 L C 1.511 178.214 176.870 -0.279 0.000 1.119 429 L CA 0.170 54.840 54.840 -0.282 0.000 0.871 429 L CB 0.001 41.813 42.059 -0.412 0.000 1.036 429 L HN 0.465 nan 8.230 nan 0.000 0.459 430 F N -1.477 118.491 119.950 0.031 0.000 2.731 430 F HA 0.083 4.610 4.527 -0.001 0.000 0.298 430 F C 1.036 176.815 175.800 -0.036 0.000 1.106 430 F CA -0.336 57.683 58.000 0.031 0.000 1.329 430 F CB 0.264 39.372 39.000 0.180 0.000 1.100 430 F HN -0.072 nan 8.300 nan 0.000 0.592 431 M N 0.437 120.110 119.600 0.121 0.000 2.653 431 M HA -0.222 4.258 4.480 -0.001 0.000 0.203 431 M C 1.002 177.335 176.300 0.054 0.000 0.502 431 M CA 1.067 56.403 55.300 0.060 0.000 0.601 431 M CB -1.957 30.662 32.600 0.032 0.000 2.228 431 M HN 0.413 nan 8.290 nan 0.000 0.711 432 G N -1.878 106.966 108.800 0.074 0.000 2.194 432 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.236 432 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.236 432 G C 0.445 175.318 174.900 -0.044 0.000 0.987 432 G CA 0.312 45.441 45.100 0.049 0.000 0.635 432 G HN 0.447 nan 8.290 nan 0.000 0.520 433 Q N -0.599 119.113 119.800 -0.146 0.000 2.366 433 Q HA -0.069 4.270 4.340 -0.001 0.000 0.214 433 Q C 1.315 176.857 176.000 -0.763 0.000 0.994 433 Q CA 1.610 57.107 55.803 -0.510 0.000 0.909 433 Q CB -0.322 27.962 28.738 -0.758 0.000 0.918 433 Q HN 0.791 nan 8.270 nan 0.000 0.436 434 F N -1.456 118.443 119.950 -0.084 0.000 2.815 434 F HA 0.150 4.677 4.527 -0.000 0.000 0.335 434 F C 1.135 176.905 175.800 -0.049 0.000 1.179 434 F CA -0.075 57.856 58.000 -0.115 0.000 1.204 434 F CB 0.569 39.444 39.000 -0.209 0.000 1.050 434 F HN -0.099 nan 8.300 nan 0.000 0.510 435 S N -1.279 114.486 115.700 0.109 0.000 2.701 435 S HA 0.083 4.553 4.470 -0.001 0.000 0.220 435 S C 0.967 175.651 174.600 0.139 0.000 0.954 435 S CA 0.191 58.481 58.200 0.150 0.000 0.936 435 S CB -0.189 63.113 63.200 0.170 0.000 0.777 435 S HN 0.472 nan 8.310 nan 0.000 0.518 436 E N 0.546 120.808 120.200 0.104 0.000 2.601 436 E HA 0.176 4.526 4.350 -0.001 0.000 0.219 436 E C -0.031 176.614 176.600 0.076 0.000 0.964 436 E CA 0.030 56.478 56.400 0.081 0.000 1.050 436 E CB 1.528 31.258 29.700 0.050 0.000 1.068 436 E HN 0.546 nan 8.360 nan 0.000 0.496 437 V N -1.411 118.557 119.914 0.091 0.000 2.960 437 V HA 0.476 4.596 4.120 -0.001 0.000 0.315 437 V C -0.334 175.790 176.094 0.050 0.000 1.087 437 V CA -1.075 61.263 62.300 0.064 0.000 0.982 437 V CB 2.330 34.190 31.823 0.060 0.000 1.039 437 V HN 0.006 nan 8.190 nan 0.000 0.437 438 L N 3.557 124.792 121.223 0.020 0.000 2.314 438 L HA 0.469 4.809 4.340 -0.001 0.000 0.275 438 L C -0.524 176.322 176.870 -0.040 0.000 1.068 438 L CA -0.506 54.339 54.840 0.010 0.000 0.894 438 L CB 0.526 42.596 42.059 0.019 0.000 1.275 438 L HN 0.715 nan 8.230 nan 0.000 0.432 439 L N 4.473 125.648 121.223 -0.080 0.000 2.513 439 L HA 0.060 4.399 4.340 -0.001 0.000 0.272 439 L C 1.367 178.182 176.870 -0.092 0.000 1.187 439 L CA 0.197 54.949 54.840 -0.147 0.000 0.895 439 L CB 0.855 42.782 42.059 -0.220 0.000 1.147 439 L HN 0.623 nan 8.230 nan 0.000 0.483 440 T N -2.591 111.910 114.554 -0.089 0.000 3.043 440 T HA 0.145 4.494 4.350 -0.001 0.000 0.272 440 T C 0.353 175.022 174.700 -0.051 0.000 0.990 440 T CA -0.074 61.993 62.100 -0.054 0.000 0.897 440 T CB 0.471 69.319 68.868 -0.033 0.000 1.111 440 T HN 0.460 nan 8.240 nan 0.000 0.529 441 S N 0.269 115.926 115.700 -0.072 0.000 2.562 441 S HA 0.688 5.158 4.470 -0.001 0.000 0.274 441 S C -1.590 172.963 174.600 -0.080 0.000 1.160 441 S CA -0.853 57.315 58.200 -0.054 0.000 0.933 441 S CB 1.631 64.822 63.200 -0.014 0.000 1.100 441 S HN 0.523 nan 8.310 nan 0.000 0.468 442 I N 3.342 123.875 120.570 -0.061 0.000 2.828 442 I HA 0.860 5.030 4.170 -0.001 0.000 0.302 442 I C -0.840 175.234 176.117 -0.071 0.000 1.101 442 I CA -0.100 61.159 61.300 -0.069 0.000 1.031 442 I CB 2.098 40.081 38.000 -0.029 0.000 1.231 442 I HN 0.877 nan 8.210 nan 0.000 0.427 443 S N 3.874 119.479 115.700 -0.159 0.000 2.588 443 S HA 0.727 5.197 4.470 -0.001 0.000 0.269 443 S C -1.270 173.120 174.600 -0.351 0.000 1.157 443 S CA -0.364 57.596 58.200 -0.400 0.000 0.824 443 S CB 2.244 65.233 63.200 -0.352 0.000 1.126 443 S HN 0.725 nan 8.310 nan 0.000 0.464 444 T N 2.249 116.519 114.554 -0.474 0.000 2.956 444 T HA 0.730 5.080 4.350 -0.001 0.000 0.312 444 T C -1.565 173.172 174.700 0.061 0.000 1.151 444 T CA -0.503 61.450 62.100 -0.246 0.000 1.024 444 T CB 0.804 69.408 68.868 -0.439 0.000 1.140 444 T HN 0.909 nan 8.240 nan 0.000 0.473 445 F N 0.769 120.645 119.950 -0.124 0.000 2.686 445 F HA 0.827 5.354 4.527 -0.001 0.000 0.311 445 F C -1.807 174.004 175.800 0.017 0.000 1.128 445 F CA -1.517 56.492 58.000 0.015 0.000 0.946 445 F CB 0.949 39.992 39.000 0.072 0.000 1.336 445 F HN 0.382 nan 8.300 nan 0.000 0.457 446 I N 2.616 123.276 120.570 0.149 0.000 2.353 446 I HA 0.373 4.542 4.170 -0.001 0.000 0.293 446 I C -0.451 175.731 176.117 0.109 0.000 0.992 446 I CA -0.737 60.580 61.300 0.028 0.000 1.268 446 I CB 1.559 39.589 38.000 0.050 0.000 1.387 446 I HN 0.428 nan 8.210 nan 0.000 0.478 447 K N 4.725 125.132 120.400 0.012 0.000 2.535 447 K HA 0.388 4.708 4.320 -0.001 0.000 0.253 447 K C 0.469 177.094 176.600 0.043 0.000 0.953 447 K CA 0.126 56.467 56.287 0.089 0.000 0.863 447 K CB 1.584 34.163 32.500 0.131 0.000 1.111 447 K HN 0.879 nan 8.250 nan 0.000 0.431 448 G N 4.650 113.481 108.800 0.051 0.000 2.952 448 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.346 448 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.346 448 G C 0.574 175.480 174.900 0.009 0.000 1.191 448 G CA 1.081 46.200 45.100 0.031 0.000 0.961 448 G HN 0.626 nan 8.290 nan 0.000 0.588 449 D N 0.720 121.118 120.400 -0.003 0.000 2.389 449 D HA 0.319 4.958 4.640 -0.001 0.000 0.206 449 D C 1.223 177.493 176.300 -0.050 0.000 1.055 449 D CA 0.019 54.007 54.000 -0.020 0.000 0.856 449 D CB 0.204 40.994 40.800 -0.017 0.000 0.957 449 D HN 0.369 nan 8.370 nan 0.000 0.509 450 L N 0.664 121.844 121.223 -0.072 0.000 2.350 450 L HA 0.321 4.661 4.340 -0.001 0.000 0.275 450 L C 0.216 176.990 176.870 -0.159 0.000 1.099 450 L CA 0.022 54.779 54.840 -0.138 0.000 0.808 450 L CB 1.455 43.400 42.059 -0.190 0.000 1.149 450 L HN -0.212 nan 8.230 nan 0.000 0.442 451 T N 4.173 118.616 114.554 -0.185 0.000 2.758 451 T HA 0.560 4.910 4.350 -0.001 0.000 0.285 451 T C -0.184 174.315 174.700 -0.335 0.000 0.981 451 T CA -0.228 61.734 62.100 -0.229 0.000 0.965 451 T CB 0.789 69.576 68.868 -0.135 0.000 0.927 451 T HN 0.262 nan 8.240 nan 0.000 0.448 452 I N 2.924 123.170 120.570 -0.539 0.000 2.389 452 I HA 0.525 4.695 4.170 -0.001 0.000 0.288 452 I C 0.465 176.322 176.117 -0.433 0.000 0.999 452 I CA -1.050 59.908 61.300 -0.569 0.000 1.129 452 I CB 1.522 38.969 38.000 -0.922 0.000 1.288 452 I HN 0.621 nan 8.210 nan 0.000 0.444 453 A N 6.256 128.937 122.820 -0.231 0.000 2.388 453 A HA 0.399 4.718 4.320 -0.001 0.000 0.257 453 A C -0.250 177.270 177.584 -0.106 0.000 1.095 453 A CA -0.410 51.532 52.037 -0.159 0.000 0.791 453 A CB 0.134 19.131 19.000 -0.004 0.000 1.029 453 A HN 0.721 nan 8.150 nan 0.000 0.489 454 N N 2.293 120.933 118.700 -0.101 0.000 2.469 454 N HA 0.420 5.159 4.740 -0.001 0.000 0.253 454 N C -1.021 174.315 175.510 -0.288 0.000 0.970 454 N CA -0.026 52.922 53.050 -0.171 0.000 0.940 454 N CB 1.245 39.761 38.487 0.048 0.000 1.128 454 N HN 0.562 nan 8.380 nan 0.000 0.503 455 L N 0.695 121.613 121.223 -0.508 0.000 2.334 455 L HA 0.766 5.106 4.340 -0.001 0.000 0.272 455 L C 0.902 177.531 176.870 -0.402 0.000 1.020 455 L CA -0.937 53.641 54.840 -0.437 0.000 0.812 455 L CB 1.949 43.671 42.059 -0.561 0.000 1.264 455 L HN 0.406 nan 8.230 nan 0.000 0.439 456 G N -0.005 108.648 108.800 -0.245 0.000 2.659 456 G HA2 0.698 4.658 3.960 -0.001 0.000 0.296 456 G HA3 0.698 4.658 3.960 -0.001 0.000 0.296 456 G C -1.354 173.462 174.900 -0.140 0.000 1.369 456 G CA -0.212 44.812 45.100 -0.128 0.000 0.937 456 G HN 0.421 nan 8.290 nan 0.000 0.485 457 T N -0.300 114.196 114.554 -0.097 0.000 2.903 457 T HA 0.411 4.761 4.350 -0.001 0.000 0.299 457 T C 1.431 176.105 174.700 -0.043 0.000 1.093 457 T CA 0.031 62.079 62.100 -0.087 0.000 1.002 457 T CB 1.762 70.572 68.868 -0.097 0.000 1.127 457 T HN 0.640 nan 8.240 nan 0.000 0.488 458 S N 0.789 116.470 115.700 -0.030 0.000 2.419 458 S HA -0.108 4.361 4.470 -0.001 0.000 0.233 458 S C 1.467 176.064 174.600 -0.005 0.000 1.016 458 S CA 0.825 59.017 58.200 -0.013 0.000 0.974 458 S CB -0.220 62.975 63.200 -0.008 0.000 0.786 458 S HN 0.766 nan 8.310 nan 0.000 0.492 459 E N 0.998 121.192 120.200 -0.010 0.000 2.427 459 E HA 0.119 4.469 4.350 -0.001 0.000 0.196 459 E C 1.256 177.855 176.600 -0.002 0.000 1.028 459 E CA 0.428 56.827 56.400 -0.002 0.000 0.864 459 E CB -0.167 29.531 29.700 -0.005 0.000 0.813 459 E HN 0.707 nan 8.360 nan 0.000 0.514 460 G N 1.147 109.939 108.800 -0.013 0.000 2.184 460 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.206 460 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.206 460 G C 0.112 174.973 174.900 -0.065 0.000 0.995 460 G CA -0.336 44.754 45.100 -0.018 0.000 0.651 460 G HN 0.042 nan 8.290 nan 0.000 0.511 461 R N -0.092 120.360 120.500 -0.080 0.000 2.340 461 R HA 0.509 4.849 4.340 -0.001 0.000 0.300 461 R C -0.752 175.451 176.300 -0.161 0.000 1.069 461 R CA -0.341 55.678 56.100 -0.135 0.000 0.984 461 R CB 0.828 31.069 30.300 -0.097 0.000 1.003 461 R HN 0.260 nan 8.270 nan 0.000 0.459 462 F N 4.973 124.636 119.950 -0.477 0.000 2.458 462 F HA 0.482 5.008 4.527 -0.001 0.000 0.336 462 F C -0.429 175.175 175.800 -0.327 0.000 1.114 462 F CA -0.834 56.906 58.000 -0.434 0.000 0.987 462 F CB 1.067 39.729 39.000 -0.564 0.000 1.130 462 F HN 0.432 nan 8.300 nan 0.000 0.458 463 M N 4.844 123.831 119.600 -1.021 0.000 2.365 463 M HA 0.443 4.923 4.480 -0.001 0.000 0.287 463 M C -2.131 173.762 176.300 -0.678 0.000 1.154 463 M CA -0.823 54.099 55.300 -0.630 0.000 0.941 463 M CB 2.374 34.799 32.600 -0.291 0.000 1.704 463 M HN 0.551 nan 8.290 nan 0.000 0.479 464 Q N 2.572 122.104 119.800 -0.446 0.000 2.331 464 Q HA 0.655 4.995 4.340 -0.001 0.000 0.257 464 Q C -0.920 174.835 176.000 -0.409 0.000 0.957 464 Q CA -0.664 54.928 55.803 -0.352 0.000 0.923 464 Q CB 2.434 31.066 28.738 -0.176 0.000 1.212 464 Q HN 0.641 nan 8.270 nan 0.000 0.443 465 V N 2.170 121.989 119.914 -0.158 0.000 2.919 465 V HA 0.434 4.554 4.120 -0.001 0.000 0.316 465 V C 0.007 176.168 176.094 0.112 0.000 1.077 465 V CA -0.983 61.336 62.300 0.033 0.000 0.977 465 V CB 2.086 34.002 31.823 0.154 0.000 1.039 465 V HN 0.457 nan 8.190 nan 0.000 0.441 466 V N 2.714 122.708 119.914 0.133 0.000 2.465 466 V HA 0.320 4.439 4.120 -0.001 0.000 0.279 466 V C -0.012 176.088 176.094 0.010 0.000 1.045 466 V CA -0.485 61.797 62.300 -0.030 0.000 0.938 466 V CB 1.543 33.229 31.823 -0.227 0.000 0.986 466 V HN 0.611 nan 8.190 nan 0.000 0.467 467 V N 4.311 124.178 119.914 -0.080 0.000 2.461 467 V HA 0.630 4.750 4.120 -0.001 0.000 0.275 467 V C 0.269 176.302 176.094 -0.103 0.000 1.047 467 V CA 0.266 62.498 62.300 -0.113 0.000 0.955 467 V CB 1.079 32.801 31.823 -0.169 0.000 0.988 467 V HN 0.943 nan 8.190 nan 0.000 0.471 468 S N 3.735 119.376 115.700 -0.099 0.000 2.543 468 S HA 0.463 4.933 4.470 -0.001 0.000 0.274 468 S C 0.423 174.979 174.600 -0.074 0.000 1.149 468 S CA -0.754 57.400 58.200 -0.077 0.000 0.866 468 S CB 1.820 64.983 63.200 -0.063 0.000 1.111 468 S HN 0.698 nan 8.310 nan 0.000 0.457 469 R N 1.197 121.659 120.500 -0.063 0.000 2.048 469 R HA 0.170 4.509 4.340 -0.001 0.000 0.224 469 R C 0.605 176.883 176.300 -0.037 0.000 1.163 469 R CA 0.485 56.553 56.100 -0.055 0.000 0.956 469 R CB -0.804 29.465 30.300 -0.052 0.000 0.849 469 R HN 0.538 nan 8.270 nan 0.000 0.435 470 S N 0.430 116.110 115.700 -0.033 0.000 2.503 470 S HA 0.347 4.817 4.470 -0.001 0.000 0.317 470 S C -0.225 174.361 174.600 -0.023 0.000 1.162 470 S CA 0.322 58.507 58.200 -0.024 0.000 1.124 470 S CB 0.045 63.231 63.200 -0.023 0.000 1.207 470 S HN 0.615 nan 8.310 nan 0.000 0.538 471 G N 5.540 114.331 108.800 -0.015 0.000 3.400 471 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.679 471 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.679 471 G C -3.188 171.714 174.900 0.002 0.000 1.239 471 G CA -1.058 44.037 45.100 -0.008 0.000 1.049 471 G HN 0.393 nan 8.290 nan 0.000 0.539 472 P HA 0.338 nan 4.420 nan 0.000 0.211 472 P C 0.506 177.828 177.300 0.037 0.000 1.856 472 P CA -0.271 62.844 63.100 0.024 0.000 0.962 472 P CB 0.546 32.250 31.700 0.008 0.000 1.785 473 S N 0.877 116.612 115.700 0.060 0.000 2.563 473 S HA 0.216 4.686 4.470 -0.001 0.000 0.284 473 S C 0.836 175.476 174.600 0.066 0.000 1.331 473 S CA 0.360 58.602 58.200 0.071 0.000 1.047 473 S CB -0.009 63.230 63.200 0.065 0.000 0.859 473 S HN 0.412 nan 8.310 nan 0.000 0.514 474 T N 1.679 116.276 114.554 0.072 0.000 2.902 474 T HA 0.567 4.916 4.350 -0.001 0.000 0.283 474 T C -2.931 171.841 174.700 0.119 0.000 1.009 474 T CA -2.161 59.961 62.100 0.037 0.000 1.051 474 T CB 0.930 69.817 68.868 0.031 0.000 0.999 474 T HN 0.213 nan 8.240 nan 0.000 0.474 475 P HA 0.229 nan 4.420 nan 0.000 0.271 475 P C 0.228 177.594 177.300 0.110 0.000 1.216 475 P CA -0.361 62.766 63.100 0.045 0.000 0.771 475 P CB 0.238 31.932 31.700 -0.011 0.000 0.864 476 H N -0.174 119.027 119.070 0.217 0.000 2.551 476 H HA 0.337 4.892 4.556 -0.001 0.000 0.266 476 H C 0.077 175.536 175.328 0.217 0.000 0.964 476 H CA -0.245 55.949 56.048 0.243 0.000 1.180 476 H CB 0.004 29.953 29.762 0.310 0.000 1.408 476 H HN 0.036 nan 8.280 nan 0.000 0.563 477 V N 1.674 121.542 119.914 -0.077 0.000 2.588 477 V HA 0.341 4.460 4.120 -0.001 0.000 0.304 477 V C -0.765 175.393 176.094 0.107 0.000 1.042 477 V CA -0.918 61.447 62.300 0.108 0.000 0.877 477 V CB 1.741 33.669 31.823 0.175 0.000 0.996 477 V HN 0.550 nan 8.190 nan 0.000 0.425 478 N N 4.793 123.647 118.700 0.255 0.000 2.648 478 N HA 0.538 5.278 4.740 -0.001 0.000 0.272 478 N C -1.302 174.415 175.510 0.345 0.000 1.118 478 N CA -0.273 52.886 53.050 0.181 0.000 0.973 478 N CB 2.052 40.568 38.487 0.047 0.000 1.565 478 N HN 0.610 nan 8.380 nan 0.000 0.542 479 F N 0.894 120.906 119.950 0.103 0.000 2.900 479 F HA 0.477 5.003 4.527 -0.001 0.000 0.321 479 F C -2.101 173.762 175.800 0.104 0.000 1.160 479 F CA -1.169 56.885 58.000 0.090 0.000 0.890 479 F CB 0.949 40.042 39.000 0.155 0.000 1.334 479 F HN 0.105 nan 8.300 nan 0.000 0.459 480 L N 3.673 124.982 121.223 0.143 0.000 2.260 480 L HA 0.478 4.818 4.340 -0.001 0.000 0.289 480 L C -0.492 176.407 176.870 0.050 0.000 1.057 480 L CA -0.401 54.451 54.840 0.021 0.000 0.811 480 L CB 1.019 43.118 42.059 0.067 0.000 1.184 480 L HN 0.627 nan 8.230 nan 0.000 0.429 481 L N 3.012 124.168 121.223 -0.112 0.000 2.431 481 L HA 0.288 4.628 4.340 -0.001 0.000 0.260 481 L C 0.533 177.398 176.870 -0.010 0.000 1.098 481 L CA -0.898 53.926 54.840 -0.026 0.000 0.800 481 L CB 0.870 42.873 42.059 -0.093 0.000 1.210 481 L HN 0.510 nan 8.230 nan 0.000 0.465 482 D N 0.771 121.163 120.400 -0.014 0.000 2.658 482 D HA -0.091 4.548 4.640 -0.001 0.000 0.230 482 D C 1.192 177.478 176.300 -0.023 0.000 1.118 482 D CA 0.341 54.313 54.000 -0.047 0.000 0.848 482 D CB 0.785 41.519 40.800 -0.109 0.000 1.160 482 D HN 0.604 nan 8.370 nan 0.000 0.497 483 S N 2.233 117.926 115.700 -0.012 0.000 2.453 483 S HA -0.243 4.227 4.470 -0.001 0.000 0.250 483 S C 0.758 175.469 174.600 0.185 0.000 1.044 483 S CA 1.120 59.358 58.200 0.064 0.000 1.010 483 S CB -0.400 62.841 63.200 0.069 0.000 0.793 483 S HN 0.524 nan 8.310 nan 0.000 0.493 484 H N 2.693 121.758 119.070 -0.008 0.000 2.732 484 H HA 0.405 4.960 4.556 -0.001 0.000 0.351 484 H C -2.172 173.152 175.328 -0.006 0.000 1.090 484 H CA -2.243 53.802 56.048 -0.004 0.000 1.431 484 H CB -0.492 29.269 29.762 -0.001 0.000 1.447 484 H HN 0.122 nan 8.280 nan 0.000 0.582 485 P HA -0.061 nan 4.420 nan 0.000 0.271 485 P C -0.371 176.955 177.300 0.043 0.000 1.233 485 P CA -0.134 62.990 63.100 0.040 0.000 0.795 485 P CB 0.572 32.278 31.700 0.011 0.000 0.936 486 V N 0.499 120.425 119.914 0.020 0.000 2.509 486 V HA 0.254 4.374 4.120 -0.001 0.000 0.284 486 V C 0.719 176.829 176.094 0.026 0.000 1.047 486 V CA -0.121 62.194 62.300 0.025 0.000 0.952 486 V CB 1.036 32.871 31.823 0.020 0.000 0.988 486 V HN 0.571 nan 8.190 nan 0.000 0.469 487 S N 6.103 121.827 115.700 0.040 0.000 2.562 487 S HA 0.394 4.863 4.470 -0.001 0.000 0.275 487 S C -1.123 173.500 174.600 0.039 0.000 1.281 487 S CA -1.329 56.897 58.200 0.044 0.000 1.045 487 S CB 1.474 64.711 63.200 0.061 0.000 0.962 487 S HN 0.650 nan 8.310 nan 0.000 0.503 488 P HA 0.024 nan 4.420 nan 0.000 0.225 488 P C -0.282 177.047 177.300 0.048 0.000 1.156 488 P CA 0.600 63.714 63.100 0.024 0.000 0.787 488 P CB 0.004 31.715 31.700 0.017 0.000 0.802 489 E N 1.320 121.562 120.200 0.070 0.000 2.220 489 E HA 0.216 4.566 4.350 -0.001 0.000 0.272 489 E C 0.295 176.949 176.600 0.089 0.000 1.099 489 E CA -0.128 56.327 56.400 0.092 0.000 0.907 489 E CB 0.620 30.380 29.700 0.100 0.000 1.022 489 E HN 0.095 nan 8.360 nan 0.000 0.428 490 V N 0.889 120.862 119.914 0.099 0.000 3.049 490 V HA 0.621 4.740 4.120 -0.001 0.000 0.309 490 V C -0.325 175.826 176.094 0.095 0.000 1.148 490 V CA -1.001 61.347 62.300 0.082 0.000 0.990 490 V CB 2.389 34.241 31.823 0.048 0.000 1.039 490 V HN 0.443 nan 8.190 nan 0.000 0.430 491 I N 2.799 123.405 120.570 0.060 0.000 2.465 491 I HA 0.613 4.783 4.170 -0.001 0.000 0.291 491 I C -0.959 175.109 176.117 -0.081 0.000 1.014 491 I CA -0.926 60.398 61.300 0.039 0.000 1.093 491 I CB 2.275 40.318 38.000 0.072 0.000 1.267 491 I HN 0.496 nan 8.210 nan 0.000 0.431 492 V N 5.842 125.674 119.914 -0.137 0.000 2.495 492 V HA 0.439 4.558 4.120 -0.001 0.000 0.298 492 V C -0.265 175.561 176.094 -0.446 0.000 1.031 492 V CA -0.536 61.557 62.300 -0.345 0.000 0.871 492 V CB 2.065 33.659 31.823 -0.383 0.000 0.988 492 V HN 0.668 nan 8.190 nan 0.000 0.432 493 E N 3.251 123.011 120.200 -0.732 0.000 2.260 493 E HA 0.387 4.737 4.350 -0.001 0.000 0.266 493 E C -1.230 174.992 176.600 -0.629 0.000 0.887 493 E CA -0.669 55.349 56.400 -0.635 0.000 0.777 493 E CB 1.459 30.810 29.700 -0.581 0.000 1.205 493 E HN 0.777 nan 8.360 nan 0.000 0.414 494 H N 1.301 120.263 119.070 -0.180 0.000 2.505 494 H HA 0.385 4.941 4.556 -0.001 0.000 0.355 494 H C 0.085 175.379 175.328 -0.058 0.000 1.179 494 H CA -0.053 55.930 56.048 -0.109 0.000 1.343 494 H CB 1.556 31.292 29.762 -0.043 0.000 1.501 494 H HN 0.464 nan 8.280 nan 0.000 0.569 495 T N -0.512 114.105 114.554 0.104 0.000 2.896 495 T HA 0.287 4.636 4.350 -0.001 0.000 0.297 495 T C 0.023 174.763 174.700 0.067 0.000 1.108 495 T CA -1.050 61.095 62.100 0.076 0.000 1.004 495 T CB 1.732 70.639 68.868 0.064 0.000 1.159 495 T HN 0.238 nan 8.240 nan 0.000 0.499 496 L N 2.227 123.478 121.223 0.047 0.000 2.593 496 L HA 0.132 4.472 4.340 -0.001 0.000 0.287 496 L C 0.495 177.383 176.870 0.029 0.000 1.243 496 L CA 1.351 56.211 54.840 0.032 0.000 0.890 496 L CB -0.671 41.401 42.059 0.022 0.000 1.134 496 L HN 0.943 nan 8.230 nan 0.000 0.502 497 N N 1.982 120.697 118.700 0.025 0.000 2.952 497 N HA -0.237 4.503 4.740 -0.001 0.000 0.245 497 N C 0.257 175.791 175.510 0.041 0.000 1.029 497 N CA 1.123 54.187 53.050 0.024 0.000 0.870 497 N CB -1.225 37.269 38.487 0.012 0.000 1.121 497 N HN 0.731 nan 8.380 nan 0.000 0.559 498 Q N -2.142 117.692 119.800 0.057 0.000 2.493 498 Q HA -0.238 4.102 4.340 -0.001 0.000 0.260 498 Q C -0.090 175.981 176.000 0.119 0.000 0.873 498 Q CA 1.305 57.164 55.803 0.092 0.000 1.150 498 Q CB -1.115 27.677 28.738 0.089 0.000 1.393 498 Q HN 0.812 nan 8.270 nan 0.000 0.607 499 N N -1.021 117.729 118.700 0.083 0.000 2.948 499 N HA 0.797 5.537 4.740 -0.001 0.000 0.323 499 N C 0.806 176.320 175.510 0.007 0.000 1.374 499 N CA 0.141 53.218 53.050 0.046 0.000 0.765 499 N CB 1.004 39.511 38.487 0.033 0.000 1.152 499 N HN 0.279 nan 8.380 nan 0.000 0.528 500 G N -1.458 107.326 108.800 -0.026 0.000 2.280 500 G HA2 0.175 4.134 3.960 -0.001 0.000 0.277 500 G HA3 0.175 4.134 3.960 -0.001 0.000 0.277 500 G C -2.046 172.817 174.900 -0.063 0.000 1.288 500 G CA -0.320 44.731 45.100 -0.081 0.000 1.075 500 G HN 1.026 nan 8.290 nan 0.000 0.480 501 Y N -2.319 117.852 120.300 -0.216 0.000 2.609 501 Y HA 0.822 5.372 4.550 -0.001 0.000 0.336 501 Y C -0.235 175.539 175.900 -0.210 0.000 1.129 501 Y CA -0.752 57.230 58.100 -0.198 0.000 1.040 501 Y CB 1.083 39.462 38.460 -0.135 0.000 1.310 501 Y HN 0.720 nan 8.280 nan 0.000 0.460 502 T N 3.235 117.787 114.554 -0.004 0.000 2.859 502 T HA 0.608 4.957 4.350 -0.001 0.000 0.281 502 T C -0.624 174.143 174.700 0.112 0.000 1.005 502 T CA -0.650 61.432 62.100 -0.029 0.000 1.025 502 T CB 1.141 69.993 68.868 -0.028 0.000 0.977 502 T HN 0.595 nan 8.240 nan 0.000 0.458 503 L N 2.818 124.111 121.223 0.116 0.000 2.275 503 L HA 0.662 5.002 4.340 -0.001 0.000 0.288 503 L C -0.694 176.205 176.870 0.048 0.000 1.046 503 L CA -0.843 54.061 54.840 0.106 0.000 0.805 503 L CB 1.293 43.444 42.059 0.154 0.000 1.193 503 L HN 0.352 nan 8.230 nan 0.000 0.426 504 V N 4.864 124.785 119.914 0.011 0.000 2.447 504 V HA 0.383 4.502 4.120 -0.001 0.000 0.292 504 V C -0.079 176.024 176.094 0.015 0.000 1.021 504 V CA -0.442 61.857 62.300 -0.001 0.000 0.850 504 V CB 1.735 33.507 31.823 -0.086 0.000 1.005 504 V HN 0.488 nan 8.190 nan 0.000 0.426 505 I N 3.566 124.164 120.570 0.048 0.000 2.395 505 I HA 0.454 4.623 4.170 -0.001 0.000 0.289 505 I C 0.529 176.678 176.117 0.054 0.000 1.023 505 I CA 0.636 61.974 61.300 0.064 0.000 1.350 505 I CB 1.410 39.463 38.000 0.088 0.000 1.409 505 I HN 0.545 nan 8.210 nan 0.000 0.507 506 T N 4.856 119.440 114.554 0.050 0.000 2.965 506 T HA 0.484 4.834 4.350 -0.001 0.000 0.306 506 T C 0.644 175.394 174.700 0.084 0.000 0.991 506 T CA 0.211 62.345 62.100 0.056 0.000 1.001 506 T CB 1.293 70.172 68.868 0.019 0.000 0.984 506 T HN 1.031 nan 8.240 nan 0.000 0.446 507 G N 4.395 113.290 108.800 0.159 0.000 2.952 507 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.346 507 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.346 507 G C 0.426 175.416 174.900 0.151 0.000 1.191 507 G CA 1.164 46.413 45.100 0.248 0.000 0.961 507 G HN 0.815 nan 8.290 nan 0.000 0.588 508 K N 0.541 120.995 120.400 0.090 0.000 2.934 508 K HA 0.520 4.840 4.320 -0.001 0.000 0.210 508 K C -0.411 176.169 176.600 -0.033 0.000 1.122 508 K CA -0.251 56.067 56.287 0.051 0.000 1.033 508 K CB 0.937 33.465 32.500 0.046 0.000 0.779 508 K HN 0.480 nan 8.250 nan 0.000 0.459 509 K N 1.273 121.661 120.400 -0.020 0.000 2.443 509 K HA 0.444 4.763 4.320 -0.001 0.000 0.252 509 K C -1.457 175.158 176.600 0.025 0.000 0.933 509 K CA -0.668 55.585 56.287 -0.056 0.000 0.792 509 K CB 2.635 35.073 32.500 -0.102 0.000 1.185 509 K HN 0.157 nan 8.250 nan 0.000 0.425 510 I N 1.818 122.438 120.570 0.083 0.000 2.377 510 I HA 0.357 4.526 4.170 -0.001 0.000 0.293 510 I C -1.055 175.096 176.117 0.057 0.000 0.987 510 I CA 0.097 61.455 61.300 0.096 0.000 1.185 510 I CB 1.467 39.563 38.000 0.159 0.000 1.341 510 I HN 0.578 nan 8.210 nan 0.000 0.455 511 T N 5.838 120.397 114.554 0.007 0.000 2.863 511 T HA 0.331 4.680 4.350 -0.001 0.000 0.285 511 T C -0.390 174.275 174.700 -0.057 0.000 1.009 511 T CA -0.830 61.250 62.100 -0.033 0.000 0.989 511 T CB 1.578 70.409 68.868 -0.062 0.000 1.004 511 T HN 0.478 nan 8.240 nan 0.000 0.455 512 K N 3.143 123.494 120.400 -0.081 0.000 2.385 512 K HA 0.362 4.682 4.320 -0.001 0.000 0.229 512 K C -0.526 176.012 176.600 -0.102 0.000 1.089 512 K CA -0.439 55.785 56.287 -0.105 0.000 1.060 512 K CB -0.228 32.138 32.500 -0.224 0.000 1.698 512 K HN 0.600 nan 8.250 nan 0.000 0.469 513 I N 5.683 126.185 120.570 -0.113 0.000 2.421 513 I HA 0.096 4.266 4.170 -0.001 0.000 0.291 513 I C -1.776 174.316 176.117 -0.042 0.000 1.089 513 I CA -1.944 59.272 61.300 -0.140 0.000 1.354 513 I CB 0.373 38.157 38.000 -0.361 0.000 1.413 513 I HN 0.296 nan 8.210 nan 0.000 0.513 514 P HA -0.006 nan 4.420 nan 0.000 0.266 514 P C 0.722 178.006 177.300 -0.027 0.000 1.195 514 P CA 0.032 63.126 63.100 -0.009 0.000 0.768 514 P CB 1.018 32.703 31.700 -0.025 0.000 0.838 515 L N 1.491 122.637 121.223 -0.128 0.000 2.275 515 L HA -0.132 4.207 4.340 -0.001 0.000 0.215 515 L C 1.901 178.774 176.870 0.004 0.000 1.119 515 L CA 1.319 55.967 54.840 -0.319 0.000 0.790 515 L CB -0.553 41.006 42.059 -0.833 0.000 0.919 515 L HN 0.455 nan 8.230 nan 0.000 0.443 516 N N -0.999 117.742 118.700 0.068 0.000 2.782 516 N HA 0.050 4.789 4.740 -0.001 0.000 0.244 516 N C 1.725 177.323 175.510 0.147 0.000 1.029 516 N CA 1.001 54.149 53.050 0.163 0.000 0.999 516 N CB -0.235 38.331 38.487 0.131 0.000 1.634 516 N HN 0.101 nan 8.380 nan 0.000 0.478 517 G N 1.687 110.537 108.800 0.083 0.000 2.470 517 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.220 517 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.220 517 G C 1.594 176.538 174.900 0.074 0.000 1.121 517 G CA 0.453 45.596 45.100 0.073 0.000 0.766 517 G HN 0.158 nan 8.290 nan 0.000 0.553 518 L N 1.186 122.441 121.223 0.053 0.000 2.046 518 L HA 0.104 4.443 4.340 -0.001 0.000 0.208 518 L C 2.673 179.578 176.870 0.058 0.000 1.077 518 L CA 1.747 56.559 54.840 -0.048 0.000 0.747 518 L CB -0.527 41.459 42.059 -0.121 0.000 0.896 518 L HN 0.174 nan 8.230 nan 0.000 0.432 519 G N -2.471 106.458 108.800 0.215 0.000 2.959 519 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.203 519 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.203 519 G C 1.017 176.121 174.900 0.340 0.000 1.176 519 G CA 0.738 46.045 45.100 0.345 0.000 0.860 519 G HN 0.540 nan 8.290 nan 0.000 0.507 520 c N -1.513 117.239 118.600 0.254 0.000 3.123 520 c HA 0.267 4.836 4.570 -0.001 0.000 0.399 520 c C 2.487 176.721 174.090 0.239 0.000 1.320 520 c CA -0.361 56.145 56.329 0.295 0.000 1.949 520 c CB -0.071 42.561 42.510 0.202 0.000 2.692 520 c HN 0.485 nan 8.230 nan 0.000 0.623 521 R N 1.411 122.017 120.500 0.176 0.000 2.193 521 R HA -0.102 4.237 4.340 -0.001 0.000 0.229 521 R C 1.846 178.269 176.300 0.206 0.000 1.110 521 R CA 1.181 57.386 56.100 0.175 0.000 0.988 521 R CB -0.426 29.957 30.300 0.137 0.000 0.871 521 R HN 0.773 nan 8.270 nan 0.000 0.458 522 H N -1.124 118.021 119.070 0.125 0.000 2.533 522 H HA 0.065 4.621 4.556 -0.001 0.000 0.271 522 H C -0.473 174.723 175.328 -0.219 0.000 1.000 522 H CA -0.181 55.826 56.048 -0.069 0.000 1.149 522 H CB -0.161 29.511 29.762 -0.151 0.000 1.375 522 H HN -0.005 nan 8.280 nan 0.000 0.582 523 F N 1.960 121.780 119.950 -0.217 0.000 2.404 523 F HA 0.173 4.699 4.527 -0.001 0.000 0.358 523 F C 1.186 177.037 175.800 0.085 0.000 1.120 523 F CA -0.648 57.289 58.000 -0.105 0.000 1.144 523 F CB 1.735 40.664 39.000 -0.119 0.000 1.133 523 F HN 0.036 nan 8.300 nan 0.000 0.495 524 Q N 1.755 121.687 119.800 0.220 0.000 2.320 524 Q HA 0.120 4.460 4.340 -0.001 0.000 0.201 524 Q C -0.422 175.703 176.000 0.207 0.000 0.910 524 Q CA -0.090 55.827 55.803 0.191 0.000 0.946 524 Q CB 0.297 29.095 28.738 0.101 0.000 1.062 524 Q HN 0.595 nan 8.270 nan 0.000 0.503 525 S N -3.322 112.463 115.700 0.142 0.000 2.542 525 S HA 0.181 4.651 4.470 -0.001 0.000 0.276 525 S C 0.555 174.696 174.600 -0.765 0.000 1.148 525 S CA -0.513 57.553 58.200 -0.224 0.000 0.886 525 S CB 0.567 63.675 63.200 -0.153 0.000 1.109 525 S HN 0.129 nan 8.310 nan 0.000 0.458 526 c N 2.811 120.387 118.600 -1.707 0.000 2.359 526 c HA -0.141 4.428 4.570 -0.001 0.000 0.279 526 c C 3.119 176.725 174.090 -0.807 0.000 1.191 526 c CA 2.592 57.770 56.329 -1.919 0.000 1.764 526 c CB -1.483 39.929 42.510 -1.830 0.000 2.026 526 c HN 1.246 nan 8.230 nan 0.000 0.442 527 S N -0.390 114.975 115.700 -0.557 0.000 2.380 527 S HA -0.373 4.097 4.470 -0.001 0.000 0.229 527 S C 1.963 176.388 174.600 -0.292 0.000 1.050 527 S CA 2.679 60.674 58.200 -0.341 0.000 1.100 527 S CB -0.812 62.244 63.200 -0.241 0.000 0.984 527 S HN 0.835 nan 8.310 nan 0.000 0.434 528 Q N -0.500 119.159 119.800 -0.235 0.000 2.112 528 Q HA -0.154 4.186 4.340 -0.001 0.000 0.206 528 Q C 2.659 178.413 176.000 -0.410 0.000 0.987 528 Q CA 1.937 57.656 55.803 -0.140 0.000 0.858 528 Q CB -0.564 28.230 28.738 0.093 0.000 0.905 528 Q HN 0.787 nan 8.270 nan 0.000 0.420 529 c N -0.094 118.253 118.600 -0.422 0.000 2.446 529 c HA -0.062 4.508 4.570 -0.001 0.000 0.277 529 c C 2.213 175.997 174.090 -0.511 0.000 1.275 529 c CA 0.496 56.492 56.329 -0.555 0.000 1.727 529 c CB -0.949 41.529 42.510 -0.055 0.000 2.010 529 c HN 0.524 nan 8.230 nan 0.000 0.486 530 L N 0.558 121.555 121.223 -0.376 0.000 2.549 530 L HA -0.033 4.306 4.340 -0.001 0.000 0.229 530 L C 2.361 179.054 176.870 -0.294 0.000 1.158 530 L CA 0.929 55.582 54.840 -0.313 0.000 0.842 530 L CB -0.555 41.347 42.059 -0.261 0.000 0.952 530 L HN 0.336 nan 8.230 nan 0.000 0.452 531 S N -0.668 114.823 115.700 -0.348 0.000 2.540 531 S HA 0.287 4.756 4.470 -0.001 0.000 0.218 531 S C 1.012 175.452 174.600 -0.267 0.000 0.977 531 S CA -0.157 57.892 58.200 -0.252 0.000 0.918 531 S CB 0.188 63.281 63.200 -0.178 0.000 0.806 531 S HN 0.363 nan 8.310 nan 0.000 0.496 532 A N 3.346 125.888 122.820 -0.462 0.000 2.448 532 A HA 0.400 4.719 4.320 -0.001 0.000 0.239 532 A C -2.224 175.246 177.584 -0.191 0.000 1.080 532 A CA -1.019 50.784 52.037 -0.390 0.000 0.779 532 A CB -0.435 18.184 19.000 -0.635 0.000 1.026 532 A HN 0.187 nan 8.150 nan 0.000 0.499 533 P HA 0.041 nan 4.420 nan 0.000 0.260 533 P C -1.979 175.175 177.300 -0.243 0.000 1.185 533 P CA -0.813 62.213 63.100 -0.123 0.000 0.763 533 P CB 0.188 31.805 31.700 -0.138 0.000 0.776 534 P HA -0.218 nan 4.420 nan 0.000 0.215 534 P C 1.579 178.844 177.300 -0.058 0.000 1.153 534 P CA 1.473 64.538 63.100 -0.059 0.000 0.853 534 P CB -0.435 31.279 31.700 0.022 0.000 0.788 535 F N 0.415 120.358 119.950 -0.012 0.000 2.154 535 F HA -0.147 4.380 4.527 -0.001 0.000 0.301 535 F C 1.754 177.539 175.800 -0.026 0.000 1.087 535 F CA 0.962 58.948 58.000 -0.023 0.000 1.274 535 F CB -2.071 36.898 39.000 -0.050 0.000 1.009 535 F HN -0.301 nan 8.300 nan 0.000 0.485 536 V N 0.634 120.017 119.914 -0.885 0.000 2.720 536 V HA -0.253 3.867 4.120 -0.001 0.000 0.256 536 V C 1.096 177.113 176.094 -0.128 0.000 1.082 536 V CA 1.655 63.636 62.300 -0.532 0.000 1.101 536 V CB -1.457 30.029 31.823 -0.561 0.000 0.693 536 V HN 0.645 nan 8.190 nan 0.000 0.479 537 Q N -1.535 118.218 119.800 -0.078 0.000 2.452 537 Q HA -0.216 4.123 4.340 -0.001 0.000 0.318 537 Q C 0.076 176.179 176.000 0.172 0.000 1.386 537 Q CA 0.278 56.127 55.803 0.078 0.000 0.872 537 Q CB -2.248 26.571 28.738 0.135 0.000 1.151 537 Q HN 0.714 nan 8.270 nan 0.000 0.417 538 c N -0.368 118.267 118.600 0.057 0.000 2.520 538 c HA 0.848 5.417 4.570 -0.001 0.000 0.376 538 c C 1.387 175.419 174.090 -0.095 0.000 1.268 538 c CA 0.089 56.465 56.329 0.077 0.000 2.414 538 c CB 0.935 43.422 42.510 -0.040 0.000 2.521 538 c HN 0.713 nan 8.230 nan 0.000 0.618 539 G N -0.444 108.239 108.800 -0.195 0.000 2.708 539 G HA2 0.551 4.510 3.960 -0.001 0.000 0.289 539 G HA3 0.551 4.510 3.960 -0.001 0.000 0.289 539 G C -1.899 172.734 174.900 -0.446 0.000 1.416 539 G CA -0.356 44.182 45.100 -0.938 0.000 0.829 539 G HN 0.833 nan 8.290 nan 0.000 0.480 540 W N 1.025 121.934 121.300 -0.652 0.000 2.291 540 W HA 0.453 5.113 4.660 -0.000 0.000 0.312 540 W C -0.841 175.603 176.519 -0.125 0.000 1.061 540 W CA -0.972 56.203 57.345 -0.285 0.000 1.296 540 W CB 1.402 30.726 29.460 -0.226 0.000 1.223 540 W HN 0.434 nan 8.180 nan 0.000 0.421 541 c N 8.018 126.343 118.600 -0.458 0.000 2.225 541 c HA 0.161 4.731 4.570 -0.001 0.000 0.437 541 c C 1.420 175.276 174.090 -0.390 0.000 1.039 541 c CA 0.195 56.385 56.329 -0.230 0.000 1.406 541 c CB -2.147 40.342 42.510 -0.035 0.000 1.548 541 c HN 0.957 nan 8.230 nan 0.000 0.515 542 H N 1.941 120.763 119.070 -0.413 0.000 5.009 542 H HA -0.314 4.241 4.556 -0.001 0.000 0.059 542 H C 0.858 176.054 175.328 -0.220 0.000 0.567 542 H CA 2.946 58.883 56.048 -0.186 0.000 0.993 542 H CB -1.017 28.691 29.762 -0.090 0.000 0.557 542 H HN 0.707 nan 8.280 nan 0.000 0.791 543 D N 1.359 121.455 120.400 -0.508 0.000 2.480 543 D HA 0.192 4.832 4.640 -0.001 0.000 0.243 543 D C 0.607 176.493 176.300 -0.689 0.000 1.120 543 D CA 0.233 53.990 54.000 -0.405 0.000 0.835 543 D CB 0.394 41.109 40.800 -0.142 0.000 1.204 543 D HN 0.578 nan 8.370 nan 0.000 0.513 544 K N -0.501 119.355 120.400 -0.906 0.000 2.306 544 K HA 0.656 4.975 4.320 -0.001 0.000 0.236 544 K C -1.156 174.927 176.600 -0.861 0.000 1.013 544 K CA -0.982 54.901 56.287 -0.673 0.000 0.857 544 K CB 1.874 34.207 32.500 -0.278 0.000 1.214 544 K HN 0.055 nan 8.250 nan 0.000 0.449 545 c N 1.467 119.909 118.600 -0.263 0.000 2.345 545 c HA 0.798 5.368 4.570 -0.001 0.000 0.323 545 c C -0.536 173.600 174.090 0.077 0.000 1.276 545 c CA -0.103 56.239 56.329 0.021 0.000 1.543 545 c CB 0.062 42.770 42.510 0.330 0.000 2.211 545 c HN 0.636 nan 8.230 nan 0.000 0.493 546 V N 6.688 126.680 119.914 0.130 0.000 3.307 546 V HA 0.571 4.691 4.120 -0.001 0.000 0.283 546 V C -1.258 175.076 176.094 0.399 0.000 1.618 546 V CA -0.714 61.702 62.300 0.194 0.000 1.052 546 V CB 2.125 34.022 31.823 0.122 0.000 1.200 546 V HN 1.084 nan 8.190 nan 0.000 0.468 547 R N 1.714 122.394 120.500 0.300 0.000 2.560 547 R HA 0.427 4.767 4.340 -0.001 0.000 0.270 547 R C 1.087 177.376 176.300 -0.019 0.000 1.074 547 R CA 0.475 56.764 56.100 0.314 0.000 1.140 547 R CB 1.336 31.733 30.300 0.162 0.000 1.073 547 R HN 1.086 nan 8.270 nan 0.000 0.527 548 S N 1.828 117.173 115.700 -0.593 0.000 2.359 548 S HA -0.256 4.214 4.470 -0.001 0.000 0.223 548 S C 1.579 175.858 174.600 -0.536 0.000 1.039 548 S CA 1.439 58.904 58.200 -1.225 0.000 1.042 548 S CB -0.579 61.673 63.200 -1.581 0.000 0.915 548 S HN 0.820 nan 8.310 nan 0.000 0.439 549 E N 1.904 121.907 120.200 -0.329 0.000 2.147 549 E HA -0.253 4.097 4.350 -0.001 0.000 0.199 549 E C 1.587 178.106 176.600 -0.134 0.000 1.005 549 E CA 1.584 57.871 56.400 -0.189 0.000 0.810 549 E CB -0.532 29.096 29.700 -0.120 0.000 0.736 549 E HN 0.780 nan 8.360 nan 0.000 0.460 550 E N 0.275 120.411 120.200 -0.106 0.000 2.403 550 E HA 0.069 4.419 4.350 -0.001 0.000 0.188 550 E C -0.672 175.902 176.600 -0.043 0.000 1.056 550 E CA -0.291 56.077 56.400 -0.055 0.000 0.892 550 E CB 0.254 29.944 29.700 -0.017 0.000 1.049 550 E HN 0.196 nan 8.360 nan 0.000 0.465 551 c N 0.699 119.252 118.600 -0.079 0.000 2.319 551 c HA 0.308 4.877 4.570 -0.001 0.000 0.323 551 c C 1.524 175.586 174.090 -0.047 0.000 1.277 551 c CA -0.958 55.352 56.329 -0.031 0.000 1.517 551 c CB -0.341 42.197 42.510 0.046 0.000 2.206 551 c HN 0.357 nan 8.230 nan 0.000 0.486 552 L N 4.840 126.044 121.223 -0.032 0.000 1.924 552 L HA -0.041 4.299 4.340 -0.001 0.000 0.222 552 L C 2.224 179.073 176.870 -0.035 0.000 1.081 552 L CA 2.579 57.396 54.840 -0.038 0.000 0.780 552 L CB -0.986 41.050 42.059 -0.040 0.000 0.891 552 L HN 0.939 nan 8.230 nan 0.000 0.434 553 S N -1.027 114.657 115.700 -0.026 0.000 2.633 553 S HA 0.232 4.702 4.470 -0.001 0.000 0.257 553 S C 1.217 175.818 174.600 0.003 0.000 1.265 553 S CA -0.199 57.987 58.200 -0.023 0.000 0.980 553 S CB 0.274 63.448 63.200 -0.043 0.000 1.017 553 S HN 0.360 nan 8.310 nan 0.000 0.577 554 G N -0.634 108.170 108.800 0.007 0.000 2.744 554 G HA2 0.162 4.122 3.960 -0.001 0.000 0.211 554 G HA3 0.162 4.122 3.960 -0.001 0.000 0.211 554 G C 0.559 175.501 174.900 0.070 0.000 1.143 554 G CA 0.695 45.810 45.100 0.025 0.000 0.788 554 G HN 0.833 nan 8.290 nan 0.000 0.534 555 T N -1.010 113.601 114.554 0.095 0.000 2.918 555 T HA 0.502 4.852 4.350 -0.001 0.000 0.283 555 T C -1.504 173.364 174.700 0.280 0.000 1.001 555 T CA -0.607 61.586 62.100 0.154 0.000 1.041 555 T CB 1.268 70.216 68.868 0.134 0.000 1.028 555 T HN 0.333 nan 8.240 nan 0.000 0.511 556 W N 2.623 123.946 121.300 0.038 0.000 4.494 556 W HA 0.316 4.975 4.660 -0.000 0.000 0.240 556 W C -1.270 175.281 176.519 0.054 0.000 1.339 556 W CA -0.385 56.984 57.345 0.040 0.000 1.375 556 W CB -0.097 29.370 29.460 0.012 0.000 1.084 556 W HN 0.968 nan 8.180 nan 0.000 0.538 557 T N 1.836 116.213 114.554 -0.295 0.000 2.864 557 T HA 0.559 4.909 4.350 -0.001 0.000 0.289 557 T C -0.331 173.991 174.700 -0.629 0.000 1.082 557 T CA -0.796 61.129 62.100 -0.291 0.000 1.009 557 T CB 2.382 71.183 68.868 -0.111 0.000 1.234 557 T HN 0.410 nan 8.240 nan 0.000 0.526 558 Q N -0.593 118.983 119.800 -0.373 0.000 2.089 558 Q HA 0.323 4.662 4.340 -0.001 0.000 0.248 558 Q C 0.401 176.288 176.000 -0.189 0.000 0.828 558 Q CA -0.003 55.605 55.803 -0.325 0.000 1.102 558 Q CB 0.565 29.147 28.738 -0.259 0.000 1.221 558 Q HN 0.730 nan 8.270 nan 0.000 0.455 559 Q N -1.149 118.556 119.800 -0.158 0.000 2.010 559 Q HA 0.255 4.594 4.340 -0.001 0.000 0.215 559 Q C -0.719 175.222 176.000 -0.099 0.000 0.697 559 Q CA 0.122 55.859 55.803 -0.109 0.000 0.855 559 Q CB 1.612 30.309 28.738 -0.068 0.000 1.235 559 Q HN 0.101 nan 8.270 nan 0.000 0.442 560 I N 0.435 120.949 120.570 -0.094 0.000 2.436 560 I HA 0.296 4.466 4.170 -0.001 0.000 0.289 560 I C -1.185 174.876 176.117 -0.093 0.000 1.010 560 I CA -0.492 60.763 61.300 -0.075 0.000 1.098 560 I CB 1.935 39.916 38.000 -0.032 0.000 1.266 560 I HN 0.085 nan 8.210 nan 0.000 0.434 561 c N 6.895 125.423 118.600 -0.119 0.000 2.345 561 c HA 0.611 5.181 4.570 -0.001 0.000 0.323 561 c C 0.144 174.175 174.090 -0.097 0.000 1.276 561 c CA -0.924 55.304 56.329 -0.167 0.000 1.543 561 c CB 0.343 42.698 42.510 -0.258 0.000 2.211 561 c HN 0.552 nan 8.230 nan 0.000 0.493 562 L N 4.247 125.439 121.223 -0.052 0.000 2.421 562 L HA 0.368 4.708 4.340 -0.001 0.000 0.263 562 L C -1.849 175.001 176.870 -0.033 0.000 1.122 562 L CA -1.349 53.481 54.840 -0.017 0.000 0.804 562 L CB 0.241 42.320 42.059 0.034 0.000 1.150 562 L HN 0.447 nan 8.230 nan 0.000 0.457 563 P HA 0.091 nan 4.420 nan 0.000 0.257 563 P C -0.648 176.640 177.300 -0.019 0.000 1.269 563 P CA 0.121 63.205 63.100 -0.026 0.000 1.122 563 P CB 0.209 31.901 31.700 -0.014 0.000 1.285 564 A N 0.000 122.799 122.820 -0.035 0.000 2.254 564 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 564 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 564 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 564 A HN 0.000 nan 8.150 nan 0.000 0.486