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 3cf2_1_B DATA FIRST_RESID 21 DATA SEQUENCE NRPNRLIVDE AINEDNSVVS LSQPKMDELQ LFRGDTVLLK GKKRREAVCI DATA SEQUENCE VLSDDTCSDE KIRMNRVVRN NLRVRLGDVI SIQPCPDVKY GKRIHVLPID DATA SEQUENCE DTVEGITGNL FEVYLKPYFL EAYRPIRKGD IFLVRGGMRA VEFKVVETDP DATA SEQUENCE SPYCIVAPDT VIHCEGEPIK REDEEESLNE VGYDDIGGCR KQLAQIKEMV DATA SEQUENCE ELPLRHPALF KAIGVKPPRG ILLYGPPGTG KTLIARAVAN ETGAFFFLIN DATA SEQUENCE GPEIMSKLAG ESESNLRKAF EEAEKNAPAI IFIDELDAIA PKREKTHGEV DATA SEQUENCE ERRIVSQLLT LMDGLKQRAH VIVMAATNRP NSIDPALRRF GRFDREVDIG DATA SEQUENCE IPDATGRLEI LQIHTKNMKL ADDVDLEQVA NETHGHVGAD LAALCSEAAL DATA SEQUENCE QAIRKKMDLI DLEDETIDAE VMNSLAVTMD DFRWALSQSN PSALRETVVE DATA SEQUENCE VPQVTWEDIG GLEDVKRELQ ELVQYPVEHP DKFLKFGMTP SKGVLFYGPP DATA SEQUENCE GCGKTLLAKA IANECQANFI SIKGPELLTM WFGESEANVR EIFDKARQAA DATA SEQUENCE PCVLFFDELD SIXXXXXXXX XXXXXXADRV INQILTEMDG MSTKKNVFII DATA SEQUENCE GAXNRPDIID PAILRPGRLD QLIYIXXXXX KSRVAILKAN LRKSXXAKDX DATA SEQUENCE XXXXXXXXXX XXXXXDLTEI CQRACKLAIR ESIEXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXVPE XXXXHFEEAM XXXXXXXXXX XXXXXEMFA 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 21 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.512 175.510 0.003 0.000 1.280 21 N CA 0.000 53.051 53.050 0.002 0.000 0.885 21 N CB 0.000 38.488 38.487 0.002 0.000 1.341 22 R N 0.640 121.141 120.500 0.003 0.000 2.779 22 R HA -0.073 4.267 4.340 -0.000 0.000 0.301 22 R C -1.986 174.316 176.300 0.003 0.000 0.963 22 R CA 0.056 56.158 56.100 0.004 0.000 0.683 22 R CB -1.259 29.045 30.300 0.006 0.000 1.794 22 R HN 0.548 nan 8.270 nan 0.000 0.458 23 P HA -0.202 nan 4.420 nan 0.000 0.215 23 P C 0.968 178.267 177.300 -0.003 0.000 1.157 23 P CA 1.385 64.483 63.100 -0.003 0.000 0.863 23 P CB -0.107 31.589 31.700 -0.006 0.000 0.787 24 N N 1.370 120.069 118.700 -0.002 0.000 2.651 24 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 24 N C 0.696 176.208 175.510 0.003 0.000 1.149 24 N CA 0.449 53.499 53.050 -0.001 0.000 0.933 24 N CB -0.698 37.790 38.487 0.001 0.000 0.974 24 N HN 0.413 nan 8.380 nan 0.000 0.448 25 R N 0.016 120.520 120.500 0.006 0.000 2.445 25 R HA 0.671 5.011 4.340 -0.000 0.000 0.308 25 R C -1.045 175.262 176.300 0.011 0.000 0.961 25 R CA -0.791 55.315 56.100 0.010 0.000 0.862 25 R CB 1.362 31.670 30.300 0.013 0.000 1.144 25 R HN -0.029 nan 8.270 nan 0.000 0.447 26 L N 3.717 124.948 121.223 0.014 0.000 2.424 26 L HA 0.497 4.837 4.340 -0.000 0.000 0.258 26 L C -0.200 176.683 176.870 0.022 0.000 0.995 26 L CA -1.387 53.462 54.840 0.016 0.000 0.821 26 L CB 2.492 44.558 42.059 0.011 0.000 1.383 26 L HN 0.621 nan 8.230 nan 0.000 0.410 27 I N 2.897 123.483 120.570 0.026 0.000 2.505 27 I HA 0.040 4.210 4.170 -0.000 0.000 0.287 27 I C 0.522 176.660 176.117 0.036 0.000 1.104 27 I CA -0.434 60.887 61.300 0.035 0.000 1.387 27 I CB 0.994 39.017 38.000 0.038 0.000 1.404 27 I HN 0.317 nan 8.210 nan 0.000 0.528 28 V N 2.881 122.818 119.914 0.039 0.000 2.694 28 V HA 0.186 4.306 4.120 -0.000 0.000 0.306 28 V C -0.271 175.851 176.094 0.047 0.000 1.054 28 V CA 0.063 62.386 62.300 0.039 0.000 1.161 28 V CB 1.061 32.908 31.823 0.039 0.000 0.916 28 V HN 0.734 nan 8.190 nan 0.000 0.490 29 D N 1.798 122.224 120.400 0.044 0.000 2.559 29 D HA 0.380 5.020 4.640 -0.000 0.000 0.250 29 D C -0.230 176.101 176.300 0.053 0.000 1.135 29 D CA -0.627 53.403 54.000 0.050 0.000 0.955 29 D CB 1.942 42.763 40.800 0.036 0.000 1.442 29 D HN 0.808 nan 8.370 nan 0.000 0.471 30 E N -0.170 120.066 120.200 0.061 0.000 2.425 30 E HA 0.418 4.768 4.350 -0.000 0.000 0.258 30 E C -0.656 175.968 176.600 0.039 0.000 1.151 30 E CA -0.239 56.198 56.400 0.063 0.000 0.958 30 E CB 0.598 30.336 29.700 0.064 0.000 0.968 30 E HN 0.371 nan 8.360 nan 0.000 0.451 31 A N 1.133 123.975 122.820 0.036 0.000 2.325 31 A HA 0.381 4.701 4.320 -0.000 0.000 0.333 31 A C 0.756 178.350 177.584 0.017 0.000 1.155 31 A CA -0.605 51.447 52.037 0.024 0.000 0.814 31 A CB 0.330 19.345 19.000 0.024 0.000 1.206 31 A HN 0.696 nan 8.150 nan 0.000 0.482 32 I N -0.645 119.931 120.570 0.010 0.000 2.731 32 I HA 0.150 4.320 4.170 -0.000 0.000 0.260 32 I C 0.680 176.799 176.117 0.002 0.000 1.138 32 I CA 0.211 61.513 61.300 0.004 0.000 1.461 32 I CB -0.073 37.928 38.000 0.001 0.000 1.128 32 I HN 0.511 nan 8.210 nan 0.000 0.438 33 N N 2.827 121.528 118.700 0.002 0.000 2.420 33 N HA 0.058 4.798 4.740 -0.000 0.000 0.249 33 N C 0.184 175.694 175.510 -0.000 0.000 1.033 33 N CA 0.095 53.143 53.050 -0.003 0.000 0.944 33 N CB 0.956 39.439 38.487 -0.007 0.000 1.113 33 N HN 0.328 nan 8.380 nan 0.000 0.502 34 E N 0.925 121.124 120.200 -0.001 0.000 2.515 34 E HA -0.084 4.266 4.350 -0.000 0.000 0.201 34 E C -0.370 176.230 176.600 0.001 0.000 1.071 34 E CA 0.278 56.681 56.400 0.005 0.000 0.880 34 E CB 0.216 29.919 29.700 0.005 0.000 0.828 34 E HN 0.507 nan 8.360 nan 0.000 0.540 35 D N 0.772 121.164 120.400 -0.014 0.000 2.358 35 D HA -0.011 4.629 4.640 -0.000 0.000 0.258 35 D C 0.592 176.885 176.300 -0.013 0.000 1.223 35 D CA -0.049 53.931 54.000 -0.033 0.000 0.886 35 D CB 0.682 41.446 40.800 -0.060 0.000 1.120 35 D HN -0.054 nan 8.370 nan 0.000 0.482 36 N N 1.428 120.133 118.700 0.007 0.000 2.073 36 N HA -0.212 4.528 4.740 -0.000 0.000 0.199 36 N C 1.167 176.705 175.510 0.048 0.000 1.023 36 N CA 1.414 54.498 53.050 0.057 0.000 0.880 36 N CB -0.203 38.362 38.487 0.130 0.000 1.052 36 N HN 0.231 nan 8.380 nan 0.000 0.449 37 S N -0.342 115.364 115.700 0.010 0.000 2.851 37 S HA 0.175 4.645 4.470 -0.000 0.000 0.227 37 S C 0.162 174.768 174.600 0.010 0.000 0.958 37 S CA -0.177 58.035 58.200 0.020 0.000 0.990 37 S CB -0.254 62.945 63.200 -0.000 0.000 0.790 37 S HN 0.184 nan 8.310 nan 0.000 0.509 38 V N 1.423 121.342 119.914 0.009 0.000 2.841 38 V HA 0.751 4.871 4.120 -0.000 0.000 0.310 38 V C -1.177 174.924 176.094 0.012 0.000 1.090 38 V CA -0.779 61.524 62.300 0.006 0.000 0.930 38 V CB 2.213 34.033 31.823 -0.004 0.000 1.014 38 V HN 0.097 nan 8.190 nan 0.000 0.425 39 V N 3.233 123.153 119.914 0.010 0.000 2.638 39 V HA 0.881 5.001 4.120 -0.000 0.000 0.306 39 V C -0.433 175.666 176.094 0.008 0.000 1.052 39 V CA -0.190 62.117 62.300 0.011 0.000 0.885 39 V CB 1.820 33.650 31.823 0.012 0.000 0.999 39 V HN 0.852 nan 8.190 nan 0.000 0.424 40 S N 5.491 121.196 115.700 0.008 0.000 2.482 40 S HA 0.848 5.318 4.470 -0.000 0.000 0.303 40 S C -0.388 174.215 174.600 0.004 0.000 1.091 40 S CA -0.632 57.571 58.200 0.005 0.000 1.057 40 S CB 1.522 64.725 63.200 0.005 0.000 1.031 40 S HN 0.781 nan 8.310 nan 0.000 0.485 41 L N 1.319 122.542 121.223 -0.000 0.000 2.341 41 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 41 L C 0.295 177.162 176.870 -0.005 0.000 1.022 41 L CA -0.981 53.857 54.840 -0.003 0.000 0.844 41 L CB 1.256 43.309 42.059 -0.010 0.000 1.436 41 L HN 0.689 nan 8.230 nan 0.000 0.483 42 S N -1.104 114.592 115.700 -0.007 0.000 2.541 42 S HA 0.175 4.645 4.470 -0.000 0.000 0.283 42 S C 0.360 174.952 174.600 -0.014 0.000 1.196 42 S CA -0.606 57.589 58.200 -0.008 0.000 1.062 42 S CB 1.881 65.078 63.200 -0.006 0.000 1.009 42 S HN 0.581 nan 8.310 nan 0.000 0.502 43 Q N 2.753 122.545 119.800 -0.014 0.000 2.096 43 Q HA -0.089 4.251 4.340 -0.000 0.000 0.208 43 Q C -0.713 175.269 176.000 -0.030 0.000 0.993 43 Q CA 2.623 58.414 55.803 -0.021 0.000 0.862 43 Q CB -1.530 27.201 28.738 -0.013 0.000 0.915 43 Q HN 0.708 nan 8.270 nan 0.000 0.416 44 P HA -0.199 nan 4.420 nan 0.000 0.216 44 P C 0.769 178.050 177.300 -0.031 0.000 1.150 44 P CA 1.724 64.809 63.100 -0.025 0.000 0.837 44 P CB -0.002 31.688 31.700 -0.016 0.000 0.786 45 K N 0.518 120.901 120.400 -0.028 0.000 1.985 45 K HA -0.048 4.272 4.320 -0.000 0.000 0.210 45 K C 2.425 178.997 176.600 -0.047 0.000 1.047 45 K CA 1.652 57.921 56.287 -0.030 0.000 0.932 45 K CB -1.259 31.229 32.500 -0.021 0.000 0.716 45 K HN -0.019 nan 8.250 nan 0.000 0.439 46 M N 0.919 120.486 119.600 -0.055 0.000 2.255 46 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 46 M C 1.102 177.323 176.300 -0.132 0.000 1.071 46 M CA 1.700 56.948 55.300 -0.086 0.000 1.074 46 M CB -0.412 32.139 32.600 -0.081 0.000 1.384 46 M HN 0.203 nan 8.290 nan 0.000 0.415 47 D N -0.309 120.024 120.400 -0.112 0.000 2.213 47 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 47 D C 1.711 177.951 176.300 -0.099 0.000 0.961 47 D CA 0.890 54.812 54.000 -0.130 0.000 0.853 47 D CB -0.235 40.511 40.800 -0.089 0.000 0.967 47 D HN 0.504 nan 8.370 nan 0.000 0.496 48 E N 0.035 120.193 120.200 -0.069 0.000 2.338 48 E HA -0.117 4.232 4.350 -0.000 0.000 0.197 48 E C 0.574 177.143 176.600 -0.053 0.000 1.007 48 E CA 0.430 56.800 56.400 -0.050 0.000 0.849 48 E CB 0.272 29.952 29.700 -0.034 0.000 0.774 48 E HN 0.035 nan 8.360 nan 0.000 0.506 49 L N 0.779 121.960 121.223 -0.071 0.000 3.066 49 L HA 0.164 4.504 4.340 -0.000 0.000 0.265 49 L C -0.378 176.435 176.870 -0.094 0.000 1.232 49 L CA 0.041 54.842 54.840 -0.065 0.000 1.031 49 L CB 0.255 42.282 42.059 -0.052 0.000 1.379 49 L HN -0.067 nan 8.230 nan 0.000 0.563 50 Q N 0.346 120.064 119.800 -0.136 0.000 2.406 50 Q HA -0.184 4.156 4.340 -0.000 0.000 0.339 50 Q C -0.850 175.000 176.000 -0.251 0.000 1.337 50 Q CA 1.103 56.787 55.803 -0.198 0.000 0.985 50 Q CB -1.495 27.190 28.738 -0.089 0.000 1.216 50 Q HN 0.397 nan 8.270 nan 0.000 0.415 51 L N -0.173 120.855 121.223 -0.325 0.000 2.365 51 L HA 0.626 4.966 4.340 -0.000 0.000 0.273 51 L C 0.262 176.900 176.870 -0.387 0.000 1.000 51 L CA -0.849 53.846 54.840 -0.241 0.000 0.819 51 L CB 1.094 43.087 42.059 -0.110 0.000 1.284 51 L HN 0.037 nan 8.230 nan 0.000 0.418 52 F N 0.731 120.682 119.950 0.002 0.000 2.690 52 F HA 0.520 5.046 4.527 -0.000 0.000 0.332 52 F C 1.552 177.354 175.800 0.003 0.000 1.215 52 F CA -0.577 57.426 58.000 0.004 0.000 1.086 52 F CB 0.228 39.231 39.000 0.006 0.000 1.828 52 F HN 0.319 nan 8.300 nan 0.000 0.519 53 R N 0.269 120.929 120.500 0.266 0.000 2.036 53 R HA 0.068 4.408 4.340 -0.000 0.000 0.216 53 R C 1.970 178.327 176.300 0.096 0.000 1.241 53 R CA 1.086 57.264 56.100 0.131 0.000 0.964 53 R CB -1.426 28.935 30.300 0.101 0.000 0.828 53 R HN 0.782 nan 8.270 nan 0.000 0.468 54 G N 2.191 111.040 108.800 0.082 0.000 2.615 54 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.213 54 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.213 54 G C 0.213 175.150 174.900 0.062 0.000 1.135 54 G CA 0.043 45.181 45.100 0.062 0.000 0.772 54 G HN 0.269 nan 8.290 nan 0.000 0.542 55 D N 1.504 121.958 120.400 0.089 0.000 2.531 55 D HA 0.087 4.727 4.640 -0.000 0.000 0.239 55 D C 0.802 177.122 176.300 0.034 0.000 1.144 55 D CA 0.318 54.367 54.000 0.081 0.000 0.869 55 D CB 0.652 41.519 40.800 0.111 0.000 1.160 55 D HN 0.177 nan 8.370 nan 0.000 0.484 56 T N 0.831 115.392 114.554 0.011 0.000 2.806 56 T HA 0.548 4.898 4.350 -0.000 0.000 0.290 56 T C 0.381 175.055 174.700 -0.044 0.000 0.966 56 T CA -0.953 61.131 62.100 -0.027 0.000 1.060 56 T CB 1.106 69.941 68.868 -0.054 0.000 0.927 56 T HN 0.192 nan 8.240 nan 0.000 0.485 57 V N 1.512 121.393 119.914 -0.056 0.000 2.919 57 V HA 0.817 4.937 4.120 -0.000 0.000 0.316 57 V C -0.342 175.690 176.094 -0.104 0.000 1.077 57 V CA -1.397 60.867 62.300 -0.060 0.000 0.977 57 V CB 1.414 33.218 31.823 -0.031 0.000 1.039 57 V HN 0.899 nan 8.190 nan 0.000 0.441 58 L N 2.761 123.927 121.223 -0.095 0.000 2.331 58 L HA 0.762 5.102 4.340 -0.000 0.000 0.275 58 L C -0.914 175.933 176.870 -0.039 0.000 1.022 58 L CA -0.320 54.455 54.840 -0.109 0.000 0.812 58 L CB 1.342 43.349 42.059 -0.087 0.000 1.257 58 L HN 0.720 nan 8.230 nan 0.000 0.435 59 L N 4.914 126.127 121.223 -0.016 0.000 2.446 59 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 59 L C -0.679 176.209 176.870 0.030 0.000 0.975 59 L CA -0.579 54.267 54.840 0.010 0.000 0.848 59 L CB 1.632 43.699 42.059 0.012 0.000 1.225 59 L HN 0.573 nan 8.230 nan 0.000 0.410 60 K N 2.566 122.985 120.400 0.031 0.000 2.266 60 K HA 0.446 4.766 4.320 -0.000 0.000 0.274 60 K C 0.390 177.010 176.600 0.033 0.000 1.090 60 K CA -0.274 56.036 56.287 0.038 0.000 0.925 60 K CB 1.884 34.407 32.500 0.038 0.000 1.225 60 K HN 0.725 nan 8.250 nan 0.000 0.458 61 G N 2.441 111.262 108.800 0.035 0.000 2.714 61 G HA2 0.199 4.159 3.960 -0.000 0.000 0.197 61 G HA3 0.199 4.159 3.960 -0.000 0.000 0.197 61 G C -0.194 174.724 174.900 0.030 0.000 1.449 61 G CA -0.416 44.703 45.100 0.031 0.000 1.065 61 G HN 0.377 nan 8.290 nan 0.000 0.575 62 K N -0.465 119.951 120.400 0.028 0.000 2.273 62 K HA 0.228 4.548 4.320 -0.000 0.000 0.240 62 K C 0.364 176.978 176.600 0.024 0.000 1.056 62 K CA -0.245 56.058 56.287 0.025 0.000 0.910 62 K CB 0.245 32.759 32.500 0.023 0.000 1.196 62 K HN 0.403 nan 8.250 nan 0.000 0.509 63 K N 0.580 120.992 120.400 0.021 0.000 2.905 63 K HA -0.301 4.019 4.320 -0.000 0.000 0.256 63 K C -0.228 176.384 176.600 0.020 0.000 1.008 63 K CA 1.045 57.343 56.287 0.019 0.000 0.752 63 K CB -0.846 31.665 32.500 0.017 0.000 1.216 63 K HN 0.625 nan 8.250 nan 0.000 0.479 64 R N -1.075 119.438 120.500 0.023 0.000 3.854 64 R HA -0.140 4.200 4.340 -0.000 0.000 0.352 64 R C -0.658 175.661 176.300 0.031 0.000 1.156 64 R CA 1.278 57.393 56.100 0.025 0.000 0.917 64 R CB -1.080 29.232 30.300 0.020 0.000 1.471 64 R HN 0.350 nan 8.270 nan 0.000 0.521 65 R N 0.432 120.953 120.500 0.034 0.000 2.543 65 R HA 0.417 4.757 4.340 -0.000 0.000 0.268 65 R C -0.384 175.948 176.300 0.054 0.000 1.067 65 R CA -0.411 55.715 56.100 0.043 0.000 1.142 65 R CB 0.823 31.147 30.300 0.040 0.000 1.110 65 R HN 0.221 nan 8.270 nan 0.000 0.549 66 E N -0.074 120.168 120.200 0.070 0.000 2.263 66 E HA 0.412 4.762 4.350 -0.000 0.000 0.268 66 E C -1.553 175.101 176.600 0.091 0.000 0.884 66 E CA -0.606 55.846 56.400 0.087 0.000 0.766 66 E CB 2.345 32.123 29.700 0.130 0.000 1.196 66 E HN 0.625 nan 8.360 nan 0.000 0.416 67 A N 2.958 125.817 122.820 0.065 0.000 2.409 67 A HA 0.424 4.744 4.320 -0.000 0.000 0.300 67 A C -0.772 176.823 177.584 0.019 0.000 1.273 67 A CA -0.507 51.567 52.037 0.062 0.000 0.774 67 A CB 0.777 19.813 19.000 0.060 0.000 1.144 67 A HN 0.351 nan 8.150 nan 0.000 0.472 68 V N 3.166 123.074 119.914 -0.011 0.000 2.385 68 V HA 0.411 4.531 4.120 -0.000 0.000 0.269 68 V C 0.423 176.489 176.094 -0.047 0.000 1.043 68 V CA 0.040 62.269 62.300 -0.118 0.000 0.906 68 V CB -0.013 31.590 31.823 -0.367 0.000 0.995 68 V HN 1.170 nan 8.190 nan 0.000 0.467 69 C N 4.686 123.965 119.300 -0.035 0.000 3.295 69 C HA 0.729 5.189 4.460 -0.000 0.000 0.370 69 C C -0.322 174.659 174.990 -0.014 0.000 1.974 69 C CA -1.243 57.775 59.018 0.000 0.000 1.282 69 C CB 1.189 28.944 27.740 0.026 0.000 2.380 69 C HN 0.586 nan 8.230 nan 0.000 0.443 70 I N 1.362 121.932 120.570 0.001 0.000 2.428 70 I HA 0.563 4.733 4.170 -0.000 0.000 0.296 70 I C -0.058 176.062 176.117 0.005 0.000 0.985 70 I CA -0.447 60.855 61.300 0.002 0.000 1.260 70 I CB 1.595 39.600 38.000 0.009 0.000 1.389 70 I HN 0.632 nan 8.210 nan 0.000 0.484 71 V N 7.168 127.086 119.914 0.008 0.000 2.630 71 V HA 0.617 4.737 4.120 -0.000 0.000 0.305 71 V C -0.406 175.698 176.094 0.016 0.000 1.046 71 V CA -0.234 62.070 62.300 0.008 0.000 0.934 71 V CB 1.707 33.531 31.823 0.003 0.000 1.003 71 V HN 0.622 nan 8.190 nan 0.000 0.451 72 L N 3.729 124.959 121.223 0.012 0.000 2.305 72 L HA 0.693 5.033 4.340 -0.000 0.000 0.239 72 L C -0.118 176.758 176.870 0.010 0.000 1.146 72 L CA -0.681 54.169 54.840 0.016 0.000 1.038 72 L CB 2.118 44.184 42.059 0.012 0.000 1.591 72 L HN 0.745 nan 8.230 nan 0.000 0.438 73 S N -1.672 114.035 115.700 0.011 0.000 2.739 73 S HA 0.665 5.134 4.470 -0.000 0.000 0.306 73 S C -1.257 173.346 174.600 0.004 0.000 1.115 73 S CA -0.533 57.671 58.200 0.006 0.000 0.985 73 S CB 2.356 65.561 63.200 0.009 0.000 1.133 73 S HN 0.679 nan 8.310 nan 0.000 0.541 74 D N -0.309 120.092 120.400 0.002 0.000 2.521 74 D HA 0.078 4.717 4.640 -0.000 0.000 0.195 74 D C -0.472 175.828 176.300 -0.000 0.000 1.286 74 D CA -0.282 53.718 54.000 0.001 0.000 0.854 74 D CB 1.382 42.183 40.800 0.001 0.000 1.723 74 D HN 0.604 nan 8.370 nan 0.000 0.550 75 D N 1.615 122.014 120.400 -0.000 0.000 2.218 75 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 75 D C 1.309 177.608 176.300 -0.001 0.000 0.976 75 D CA 1.115 55.114 54.000 -0.001 0.000 0.853 75 D CB -0.372 40.427 40.800 -0.001 0.000 0.939 75 D HN 0.406 nan 8.370 nan 0.000 0.481 76 T N -2.150 112.403 114.554 -0.001 0.000 3.206 76 T HA 0.237 4.587 4.350 -0.000 0.000 0.253 76 T C 0.858 175.558 174.700 0.000 0.000 1.042 76 T CA -0.732 61.367 62.100 -0.001 0.000 0.931 76 T CB -0.932 67.934 68.868 -0.003 0.000 1.029 76 T HN 0.200 nan 8.240 nan 0.000 0.564 77 C N 1.494 120.794 119.300 0.001 0.000 2.396 77 C HA 0.689 5.149 4.460 -0.000 0.000 0.359 77 C C 0.655 175.647 174.990 0.003 0.000 1.307 77 C CA -0.313 58.707 59.018 0.003 0.000 2.392 77 C CB 0.730 28.472 27.740 0.002 0.000 2.245 77 C HN 0.557 nan 8.230 nan 0.000 0.615 78 S N 1.675 117.378 115.700 0.005 0.000 2.565 78 S HA 0.246 4.716 4.470 -0.000 0.000 0.290 78 S C 0.307 174.909 174.600 0.003 0.000 1.150 78 S CA -0.423 57.780 58.200 0.005 0.000 1.058 78 S CB 1.132 64.337 63.200 0.009 0.000 1.032 78 S HN 0.795 nan 8.310 nan 0.000 0.510 79 D N 2.170 122.571 120.400 0.002 0.000 2.368 79 D HA -0.046 4.594 4.640 -0.000 0.000 0.250 79 D C 0.946 177.246 176.300 0.000 0.000 1.142 79 D CA 0.459 54.459 54.000 -0.001 0.000 0.925 79 D CB 0.105 40.904 40.800 -0.002 0.000 0.896 79 D HN 0.701 nan 8.370 nan 0.000 0.525 80 E N -0.373 119.829 120.200 0.004 0.000 2.694 80 E HA 0.037 4.387 4.350 -0.000 0.000 0.142 80 E C -0.348 176.259 176.600 0.012 0.000 0.861 80 E CA -0.245 56.159 56.400 0.007 0.000 1.387 80 E CB -0.427 29.277 29.700 0.008 0.000 0.989 80 E HN -0.011 nan 8.360 nan 0.000 0.462 81 K N 1.427 121.834 120.400 0.012 0.000 2.545 81 K HA 0.540 4.860 4.320 -0.000 0.000 0.252 81 K C -0.527 176.082 176.600 0.015 0.000 0.948 81 K CA -0.587 55.711 56.287 0.017 0.000 0.827 81 K CB 2.112 34.624 32.500 0.020 0.000 1.128 81 K HN 0.001 nan 8.250 nan 0.000 0.429 82 I N 4.117 124.697 120.570 0.017 0.000 2.294 82 I HA 0.153 4.323 4.170 -0.000 0.000 0.295 82 I C 0.419 176.548 176.117 0.020 0.000 1.098 82 I CA -0.442 60.867 61.300 0.015 0.000 1.277 82 I CB 0.236 38.244 38.000 0.014 0.000 1.434 82 I HN 0.325 nan 8.210 nan 0.000 0.498 83 R N 8.137 128.648 120.500 0.018 0.000 2.585 83 R HA 0.353 4.693 4.340 -0.000 0.000 0.275 83 R C -0.275 176.039 176.300 0.022 0.000 1.018 83 R CA 0.434 56.547 56.100 0.021 0.000 1.072 83 R CB 0.379 30.689 30.300 0.016 0.000 0.953 83 R HN 0.663 nan 8.270 nan 0.000 0.419 84 M N 0.256 119.873 119.600 0.028 0.000 2.319 84 M HA 0.215 4.695 4.480 -0.000 0.000 0.265 84 M C -1.226 175.095 176.300 0.035 0.000 1.038 84 M CA -1.271 54.046 55.300 0.030 0.000 0.946 84 M CB 1.592 34.211 32.600 0.030 0.000 1.984 84 M HN 0.461 nan 8.290 nan 0.000 0.482 85 N N 2.325 121.046 118.700 0.034 0.000 2.273 85 N HA 0.134 4.874 4.740 -0.000 0.000 0.227 85 N C 0.338 175.870 175.510 0.037 0.000 1.292 85 N CA -0.181 52.890 53.050 0.036 0.000 0.875 85 N CB 0.642 39.150 38.487 0.035 0.000 1.105 85 N HN 0.782 nan 8.380 nan 0.000 0.434 86 R N 0.128 120.647 120.500 0.031 0.000 2.117 86 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 86 R C 1.487 177.804 176.300 0.029 0.000 1.143 86 R CA 1.416 57.528 56.100 0.021 0.000 0.968 86 R CB -0.721 29.581 30.300 0.003 0.000 0.863 86 R HN 0.484 nan 8.270 nan 0.000 0.444 87 V N 0.539 120.480 119.914 0.045 0.000 2.232 87 V HA -0.271 3.849 4.120 -0.000 0.000 0.241 87 V C 2.347 178.482 176.094 0.067 0.000 1.036 87 V CA 2.027 64.367 62.300 0.067 0.000 0.993 87 V CB -0.587 31.300 31.823 0.107 0.000 0.639 87 V HN 0.127 nan 8.190 nan 0.000 0.459 88 V N -0.033 119.926 119.914 0.075 0.000 2.708 88 V HA -0.332 3.788 4.120 -0.000 0.000 0.264 88 V C 2.461 178.585 176.094 0.049 0.000 1.124 88 V CA 2.376 64.715 62.300 0.066 0.000 1.138 88 V CB -0.945 30.912 31.823 0.057 0.000 0.706 88 V HN 0.441 nan 8.190 nan 0.000 0.493 89 R N -0.626 119.898 120.500 0.040 0.000 2.156 89 R HA 0.050 4.390 4.340 -0.000 0.000 0.207 89 R C 1.971 178.285 176.300 0.024 0.000 1.040 89 R CA 0.908 57.026 56.100 0.030 0.000 1.013 89 R CB -0.037 30.279 30.300 0.025 0.000 0.931 89 R HN 0.646 nan 8.270 nan 0.000 0.465 90 N N 0.083 118.797 118.700 0.022 0.000 2.416 90 N HA -0.025 4.715 4.740 -0.000 0.000 0.177 90 N C 0.179 175.703 175.510 0.023 0.000 1.036 90 N CA 0.318 53.377 53.050 0.015 0.000 0.901 90 N CB 0.131 38.622 38.487 0.007 0.000 0.976 90 N HN 0.222 nan 8.380 nan 0.000 0.444 91 N N 0.872 119.595 118.700 0.037 0.000 2.484 91 N HA 0.137 4.877 4.740 -0.000 0.000 0.245 91 N C 0.001 175.537 175.510 0.043 0.000 1.184 91 N CA 0.152 53.230 53.050 0.046 0.000 0.884 91 N CB 0.417 38.945 38.487 0.068 0.000 1.182 91 N HN 0.219 nan 8.380 nan 0.000 0.493 92 L N -0.578 120.665 121.223 0.033 0.000 4.368 92 L HA 0.155 4.495 4.340 -0.000 0.000 0.430 92 L C -0.016 176.869 176.870 0.025 0.000 1.098 92 L CA -0.191 54.669 54.840 0.032 0.000 1.557 92 L CB 0.476 42.555 42.059 0.033 0.000 1.638 92 L HN 0.012 nan 8.230 nan 0.000 0.622 93 R N 0.652 121.164 120.500 0.021 0.000 3.627 93 R HA -0.139 4.201 4.340 -0.000 0.000 0.281 93 R C -0.242 176.066 176.300 0.014 0.000 1.140 93 R CA 0.967 57.076 56.100 0.015 0.000 0.761 93 R CB -2.689 27.620 30.300 0.016 0.000 1.181 93 R HN 0.321 nan 8.270 nan 0.000 0.472 94 V N -1.696 118.227 119.914 0.015 0.000 2.732 94 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 94 V C 0.885 176.983 176.094 0.007 0.000 1.053 94 V CA -1.198 61.111 62.300 0.015 0.000 0.957 94 V CB 2.741 34.577 31.823 0.022 0.000 1.018 94 V HN -0.005 nan 8.190 nan 0.000 0.452 95 R N 2.087 122.590 120.500 0.005 0.000 2.797 95 R HA 0.602 4.942 4.340 -0.000 0.000 0.251 95 R C -0.807 175.502 176.300 0.016 0.000 1.107 95 R CA -1.118 54.978 56.100 -0.006 0.000 1.084 95 R CB 0.845 31.134 30.300 -0.018 0.000 1.205 95 R HN 0.583 nan 8.270 nan 0.000 0.515 96 L N 1.630 122.868 121.223 0.025 0.000 2.385 96 L HA 0.216 4.556 4.340 -0.000 0.000 0.281 96 L C 1.356 178.269 176.870 0.071 0.000 1.106 96 L CA 1.039 55.918 54.840 0.066 0.000 0.856 96 L CB -0.218 41.917 42.059 0.126 0.000 1.186 96 L HN 1.073 nan 8.230 nan 0.000 0.453 97 G N 2.727 111.568 108.800 0.069 0.000 2.797 97 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.195 97 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.195 97 G C 0.127 175.074 174.900 0.079 0.000 1.026 97 G CA -0.588 44.562 45.100 0.083 0.000 0.759 97 G HN 0.497 nan 8.290 nan 0.000 0.475 98 D N 0.894 121.330 120.400 0.060 0.000 2.399 98 D HA 0.389 5.029 4.640 -0.000 0.000 0.241 98 D C 0.188 176.518 176.300 0.050 0.000 1.133 98 D CA 0.261 54.295 54.000 0.057 0.000 0.890 98 D CB 2.575 43.400 40.800 0.041 0.000 1.201 98 D HN 0.376 nan 8.370 nan 0.000 0.432 99 V N 2.734 122.677 119.914 0.048 0.000 2.483 99 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 99 V C -0.194 175.919 176.094 0.032 0.000 1.035 99 V CA -0.428 61.895 62.300 0.038 0.000 0.896 99 V CB 0.978 32.822 31.823 0.036 0.000 0.986 99 V HN 0.397 nan 8.190 nan 0.000 0.447 100 I N 4.502 125.089 120.570 0.028 0.000 3.237 100 I HA 0.590 4.760 4.170 -0.000 0.000 0.308 100 I C -0.095 176.034 176.117 0.021 0.000 1.093 100 I CA -0.758 60.557 61.300 0.025 0.000 1.001 100 I CB 2.467 40.482 38.000 0.025 0.000 1.245 100 I HN 0.727 nan 8.210 nan 0.000 0.485 101 S N 3.243 118.954 115.700 0.020 0.000 2.478 101 S HA 0.713 5.183 4.470 -0.000 0.000 0.312 101 S C -0.645 173.962 174.600 0.012 0.000 1.094 101 S CA -0.723 57.487 58.200 0.016 0.000 1.081 101 S CB 0.885 64.096 63.200 0.018 0.000 1.007 101 S HN 0.495 nan 8.310 nan 0.000 0.475 102 I N 0.055 120.629 120.570 0.006 0.000 2.707 102 I HA 0.721 4.891 4.170 -0.000 0.000 0.309 102 I C -0.545 175.571 176.117 -0.003 0.000 1.001 102 I CA -0.835 60.465 61.300 -0.000 0.000 1.129 102 I CB 1.766 39.764 38.000 -0.004 0.000 1.308 102 I HN 0.783 nan 8.210 nan 0.000 0.466 103 Q N 4.593 124.388 119.800 -0.008 0.000 2.429 103 Q HA 0.347 4.687 4.340 -0.000 0.000 0.247 103 Q C -2.835 173.156 176.000 -0.015 0.000 0.915 103 Q CA -1.621 54.178 55.803 -0.007 0.000 0.971 103 Q CB 2.831 31.571 28.738 0.004 0.000 1.468 103 Q HN 0.497 nan 8.270 nan 0.000 0.439 104 P HA -0.071 nan 4.420 nan 0.000 0.263 104 P C -0.434 176.860 177.300 -0.010 0.000 1.175 104 P CA 0.167 63.262 63.100 -0.008 0.000 0.761 104 P CB 0.550 32.254 31.700 0.005 0.000 0.794 105 C N 6.880 126.161 119.300 -0.030 0.000 3.498 105 C HA 0.293 4.753 4.460 -0.000 0.000 0.218 105 C C -1.436 173.533 174.990 -0.036 0.000 1.284 105 C CA -1.691 57.300 59.018 -0.045 0.000 1.343 105 C CB 0.149 27.803 27.740 -0.144 0.000 1.825 105 C HN 0.475 nan 8.230 nan 0.000 0.518 106 P HA 0.060 nan 4.420 nan 0.000 0.249 106 P C 0.600 177.926 177.300 0.042 0.000 1.229 106 P CA 0.857 63.972 63.100 0.025 0.000 0.788 106 P CB 0.007 31.734 31.700 0.045 0.000 1.072 107 D N 0.016 120.451 120.400 0.059 0.000 2.344 107 D HA 0.028 4.668 4.640 -0.000 0.000 0.242 107 D C 0.354 176.731 176.300 0.127 0.000 1.159 107 D CA -0.179 53.874 54.000 0.089 0.000 0.859 107 D CB -0.146 40.713 40.800 0.099 0.000 0.925 107 D HN 0.023 nan 8.370 nan 0.000 0.510 108 V N 0.729 120.705 119.914 0.104 0.000 2.583 108 V HA 0.153 4.273 4.120 -0.000 0.000 0.287 108 V C 0.503 176.652 176.094 0.093 0.000 1.051 108 V CA -0.469 61.911 62.300 0.134 0.000 1.010 108 V CB 1.186 33.039 31.823 0.050 0.000 0.988 108 V HN 0.006 nan 8.190 nan 0.000 0.478 109 K N 3.601 124.068 120.400 0.111 0.000 2.244 109 K HA 0.487 4.807 4.320 -0.000 0.000 0.260 109 K C -1.214 175.465 176.600 0.132 0.000 0.951 109 K CA -0.886 55.489 56.287 0.147 0.000 0.826 109 K CB 1.325 33.898 32.500 0.123 0.000 1.108 109 K HN 0.470 nan 8.250 nan 0.000 0.433 110 Y N 1.664 121.951 120.300 -0.021 0.000 2.867 110 Y HA -0.113 4.437 4.550 -0.000 0.000 0.367 110 Y C 1.572 177.462 175.900 -0.016 0.000 1.310 110 Y CA 0.715 58.794 58.100 -0.036 0.000 1.655 110 Y CB -0.848 37.567 38.460 -0.075 0.000 1.181 110 Y HN 0.789 nan 8.280 nan 0.000 0.533 111 G N 2.889 111.729 108.800 0.066 0.000 2.825 111 G HA2 0.049 4.009 3.960 -0.000 0.000 0.241 111 G HA3 0.049 4.009 3.960 -0.000 0.000 0.241 111 G C 0.783 175.706 174.900 0.038 0.000 1.239 111 G CA -0.059 45.062 45.100 0.035 0.000 0.859 111 G HN 0.690 nan 8.290 nan 0.000 0.598 112 K N -1.173 119.227 120.400 0.000 0.000 2.412 112 K HA 0.200 4.520 4.320 -0.000 0.000 0.201 112 K C 0.765 177.335 176.600 -0.050 0.000 1.275 112 K CA 0.438 56.720 56.287 -0.008 0.000 0.910 112 K CB 0.623 33.118 32.500 -0.008 0.000 1.346 112 K HN 0.503 nan 8.250 nan 0.000 0.490 113 R N 0.393 120.837 120.500 -0.092 0.000 2.538 113 R HA 0.477 4.817 4.340 -0.000 0.000 0.292 113 R C -1.002 175.192 176.300 -0.178 0.000 1.008 113 R CA -0.476 55.506 56.100 -0.197 0.000 0.896 113 R CB 1.938 32.087 30.300 -0.251 0.000 1.187 113 R HN -0.003 nan 8.270 nan 0.000 0.440 114 I N 3.098 123.546 120.570 -0.203 0.000 2.595 114 I HA 0.119 4.289 4.170 -0.000 0.000 0.275 114 I C -0.280 175.784 176.117 -0.089 0.000 1.092 114 I CA -0.586 60.642 61.300 -0.120 0.000 1.145 114 I CB 0.765 38.689 38.000 -0.127 0.000 1.276 114 I HN 0.541 nan 8.210 nan 0.000 0.497 115 H N 6.775 125.740 119.070 -0.175 0.000 3.015 115 H HA 0.369 4.925 4.556 -0.000 0.000 0.268 115 H C -0.845 174.451 175.328 -0.053 0.000 1.113 115 H CA 0.040 56.028 56.048 -0.100 0.000 1.479 115 H CB 0.647 30.353 29.762 -0.093 0.000 1.493 115 H HN 0.372 nan 8.280 nan 0.000 0.486 116 V N 3.484 123.389 119.914 -0.014 0.000 3.181 116 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 116 V C -0.865 175.198 176.094 -0.053 0.000 1.173 116 V CA -1.023 61.276 62.300 -0.003 0.000 1.052 116 V CB 2.737 34.529 31.823 -0.051 0.000 1.123 116 V HN 0.619 nan 8.190 nan 0.000 0.454 117 L N 1.001 122.220 121.223 -0.008 0.000 2.591 117 L HA 0.514 4.854 4.340 -0.000 0.000 0.257 117 L C -2.952 174.036 176.870 0.197 0.000 0.935 117 L CA -1.381 53.493 54.840 0.056 0.000 0.873 117 L CB 3.451 45.543 42.059 0.054 0.000 1.397 117 L HN 0.574 nan 8.230 nan 0.000 0.414 118 P HA 0.207 nan 4.420 nan 0.000 0.282 118 P C -0.417 176.896 177.300 0.021 0.000 1.262 118 P CA -0.170 63.071 63.100 0.235 0.000 0.773 118 P CB 0.885 32.767 31.700 0.303 0.000 0.879 119 I N 4.643 125.165 120.570 -0.080 0.000 2.671 119 I HA -0.111 4.059 4.170 -0.000 0.000 0.285 119 I C 2.047 178.120 176.117 -0.074 0.000 1.148 119 I CA 0.279 61.532 61.300 -0.078 0.000 1.386 119 I CB -0.000 37.933 38.000 -0.111 0.000 1.406 119 I HN 0.512 nan 8.210 nan 0.000 0.540 120 D N 5.230 125.608 120.400 -0.037 0.000 2.381 120 D HA -0.281 4.359 4.640 -0.000 0.000 0.212 120 D C 0.778 177.053 176.300 -0.042 0.000 0.988 120 D CA 1.667 55.650 54.000 -0.029 0.000 0.942 120 D CB -0.214 40.578 40.800 -0.014 0.000 0.882 120 D HN 0.779 nan 8.370 nan 0.000 0.480 121 D N -0.775 119.590 120.400 -0.058 0.000 2.363 121 D HA -0.021 4.619 4.640 -0.000 0.000 0.214 121 D C 1.313 177.566 176.300 -0.079 0.000 1.093 121 D CA 0.441 54.407 54.000 -0.057 0.000 0.837 121 D CB 0.153 40.925 40.800 -0.047 0.000 0.948 121 D HN 0.261 nan 8.370 nan 0.000 0.507 122 T N -2.813 111.672 114.554 -0.116 0.000 3.040 122 T HA 0.137 4.487 4.350 -0.000 0.000 0.266 122 T C 1.353 175.958 174.700 -0.158 0.000 1.005 122 T CA 0.289 62.296 62.100 -0.155 0.000 0.906 122 T CB 0.098 68.824 68.868 -0.236 0.000 1.082 122 T HN 0.129 nan 8.240 nan 0.000 0.531 123 V N -2.399 117.449 119.914 -0.110 0.000 3.605 123 V HA 0.403 4.523 4.120 -0.000 0.000 0.284 123 V C 0.426 176.505 176.094 -0.025 0.000 1.386 123 V CA -0.419 61.840 62.300 -0.068 0.000 1.053 123 V CB -0.021 31.779 31.823 -0.039 0.000 0.857 123 V HN 0.154 nan 8.190 nan 0.000 0.436 124 E N 2.604 122.787 120.200 -0.028 0.000 1.909 124 E HA 0.367 4.717 4.350 -0.000 0.000 0.253 124 E C 1.196 177.795 176.600 -0.003 0.000 1.268 124 E CA 1.098 57.491 56.400 -0.012 0.000 0.999 124 E CB 0.077 29.768 29.700 -0.015 0.000 1.072 124 E HN 0.808 nan 8.360 nan 0.000 0.428 125 G N 2.382 111.187 108.800 0.009 0.000 2.813 125 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.194 125 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.194 125 G C 0.399 175.318 174.900 0.031 0.000 1.010 125 G CA -0.185 44.925 45.100 0.017 0.000 0.771 125 G HN 0.479 nan 8.290 nan 0.000 0.485 126 I N 0.913 121.509 120.570 0.043 0.000 2.325 126 I HA 0.737 4.907 4.170 -0.000 0.000 0.291 126 I C 0.028 176.192 176.117 0.079 0.000 1.019 126 I CA -0.482 60.864 61.300 0.076 0.000 1.302 126 I CB 1.539 39.613 38.000 0.122 0.000 1.401 126 I HN -0.032 nan 8.210 nan 0.000 0.485 127 T N 4.351 118.948 114.554 0.072 0.000 2.944 127 T HA 0.796 5.146 4.350 -0.000 0.000 0.284 127 T C 0.098 174.845 174.700 0.079 0.000 1.010 127 T CA 0.677 62.816 62.100 0.065 0.000 1.025 127 T CB 1.275 70.169 68.868 0.044 0.000 1.079 127 T HN 1.324 nan 8.240 nan 0.000 0.516 128 G N 2.339 111.182 108.800 0.072 0.000 2.566 128 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.599 128 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.599 128 G C -0.680 174.281 174.900 0.102 0.000 1.292 128 G CA -0.592 44.553 45.100 0.075 0.000 0.922 128 G HN 0.867 nan 8.290 nan 0.000 0.514 129 N N 0.650 119.411 118.700 0.102 0.000 2.411 129 N HA 0.264 5.004 4.740 -0.000 0.000 0.259 129 N C 1.830 177.452 175.510 0.187 0.000 1.103 129 N CA -0.208 52.924 53.050 0.136 0.000 0.954 129 N CB 0.695 39.261 38.487 0.132 0.000 1.085 129 N HN 0.517 nan 8.380 nan 0.000 0.485 130 L N 3.798 125.171 121.223 0.249 0.000 1.976 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 130 L C 2.029 179.111 176.870 0.353 0.000 1.071 130 L CA 1.119 56.195 54.840 0.393 0.000 0.746 130 L CB -0.713 41.570 42.059 0.374 0.000 0.890 130 L HN 0.490 nan 8.230 nan 0.000 0.432 131 F N 2.017 122.032 119.950 0.108 0.000 2.088 131 F HA -0.424 4.103 4.527 -0.000 0.000 0.296 131 F C 2.643 178.505 175.800 0.102 0.000 1.161 131 F CA 2.373 60.420 58.000 0.078 0.000 1.236 131 F CB -0.927 38.099 39.000 0.042 0.000 0.936 131 F HN 0.386 nan 8.300 nan 0.000 0.528 132 E N -0.230 119.807 120.200 -0.272 0.000 2.136 132 E HA -0.256 4.094 4.350 -0.000 0.000 0.202 132 E C 1.978 178.422 176.600 -0.259 0.000 1.019 132 E CA 2.385 58.544 56.400 -0.401 0.000 0.819 132 E CB -1.133 28.489 29.700 -0.130 0.000 0.739 132 E HN 0.408 nan 8.360 nan 0.000 0.458 133 V N -0.175 119.654 119.914 -0.142 0.000 2.256 133 V HA -0.196 3.924 4.120 -0.000 0.000 0.240 133 V C 1.927 177.831 176.094 -0.317 0.000 1.036 133 V CA 1.966 64.102 62.300 -0.273 0.000 1.008 133 V CB -0.764 30.820 31.823 -0.398 0.000 0.648 133 V HN 0.284 nan 8.190 nan 0.000 0.453 134 Y N -1.404 118.948 120.300 0.087 0.000 2.464 134 Y HA 0.207 4.757 4.550 -0.000 0.000 0.288 134 Y C 2.222 178.208 175.900 0.144 0.000 1.133 134 Y CA 0.056 58.251 58.100 0.159 0.000 1.223 134 Y CB -0.308 38.356 38.460 0.340 0.000 1.187 134 Y HN -0.012 nan 8.280 nan 0.000 0.539 135 L N 1.021 122.423 121.223 0.299 0.000 1.943 135 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 135 L C 2.374 179.417 176.870 0.289 0.000 1.074 135 L CA 1.986 57.025 54.840 0.332 0.000 0.759 135 L CB -1.304 41.087 42.059 0.554 0.000 0.888 135 L HN 0.242 nan 8.230 nan 0.000 0.433 136 K N 0.039 120.413 120.400 -0.043 0.000 2.020 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 136 K C -0.213 176.391 176.600 0.006 0.000 1.050 136 K CA 2.061 58.299 56.287 -0.082 0.000 0.929 136 K CB -0.917 31.324 32.500 -0.431 0.000 0.714 136 K HN 0.168 nan 8.250 nan 0.000 0.443 137 P HA -0.170 nan 4.420 nan 0.000 0.218 137 P C 0.755 178.026 177.300 -0.048 0.000 1.148 137 P CA 1.083 64.158 63.100 -0.042 0.000 0.822 137 P CB -0.091 31.582 31.700 -0.045 0.000 0.784 138 Y N -0.890 119.300 120.300 -0.184 0.000 2.114 138 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 138 Y C 1.891 177.488 175.900 -0.504 0.000 1.143 138 Y CA 1.780 59.624 58.100 -0.426 0.000 1.135 138 Y CB -0.738 37.299 38.460 -0.705 0.000 0.980 138 Y HN -0.154 nan 8.280 nan 0.000 0.499 139 F N -0.906 119.070 119.950 0.044 0.000 2.530 139 F HA 0.096 4.623 4.527 -0.000 0.000 0.292 139 F C 0.629 176.365 175.800 -0.106 0.000 1.109 139 F CA -0.240 57.737 58.000 -0.039 0.000 1.450 139 F CB -0.682 38.387 39.000 0.115 0.000 1.114 139 F HN -0.152 nan 8.300 nan 0.000 0.560 140 L N 2.674 123.944 121.223 0.079 0.000 2.841 140 L HA -0.161 4.179 4.340 -0.000 0.000 0.282 140 L C 0.542 177.332 176.870 -0.135 0.000 1.130 140 L CA 0.191 55.023 54.840 -0.013 0.000 0.996 140 L CB -1.094 40.949 42.059 -0.027 0.000 1.364 140 L HN 0.375 nan 8.230 nan 0.000 0.466 141 E N 2.729 122.781 120.200 -0.246 0.000 2.240 141 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 141 E C 0.493 176.819 176.600 -0.457 0.000 1.385 141 E CA 0.444 56.572 56.400 -0.454 0.000 0.686 141 E CB -1.189 28.369 29.700 -0.237 0.000 1.125 141 E HN 0.822 nan 8.360 nan 0.000 0.359 142 A N 0.236 122.739 122.820 -0.527 0.000 1.780 142 A HA 0.240 4.560 4.320 -0.000 0.000 0.208 142 A C 0.134 177.639 177.584 -0.132 0.000 1.761 142 A CA 0.451 52.320 52.037 -0.280 0.000 1.183 142 A CB 0.264 19.143 19.000 -0.203 0.000 1.162 142 A HN 0.447 nan 8.150 nan 0.000 0.472 143 Y N 0.579 120.910 120.300 0.051 0.000 3.929 143 Y HA -0.207 4.343 4.550 -0.000 0.000 0.225 143 Y C 0.288 176.191 175.900 0.004 0.000 1.200 143 Y CA 0.331 58.432 58.100 0.001 0.000 1.791 143 Y CB -2.634 35.785 38.460 -0.068 0.000 1.561 143 Y HN 0.490 nan 8.280 nan 0.000 0.657 144 R N 1.814 122.432 120.500 0.197 0.000 2.549 144 R HA 0.006 4.345 4.340 -0.000 0.000 0.336 144 R C -2.045 174.352 176.300 0.162 0.000 0.891 144 R CA -0.691 55.503 56.100 0.157 0.000 1.102 144 R CB -0.145 30.272 30.300 0.195 0.000 0.899 144 R HN 0.175 nan 8.270 nan 0.000 0.407 145 P HA 0.009 nan 4.420 nan 0.000 0.266 145 P C -0.244 177.138 177.300 0.137 0.000 1.195 145 P CA 0.622 63.761 63.100 0.066 0.000 0.768 145 P CB 0.841 32.542 31.700 0.002 0.000 0.838 146 I N 1.583 122.248 120.570 0.159 0.000 2.802 146 I HA 0.458 4.628 4.170 -0.000 0.000 0.298 146 I C 0.160 176.404 176.117 0.212 0.000 1.176 146 I CA -1.016 60.416 61.300 0.221 0.000 1.025 146 I CB 3.196 41.367 38.000 0.286 0.000 1.243 146 I HN 0.271 nan 8.210 nan 0.000 0.424 147 R N 3.914 124.543 120.500 0.215 0.000 2.686 147 R HA 0.373 4.713 4.340 -0.000 0.000 0.286 147 R C -0.648 175.736 176.300 0.141 0.000 0.969 147 R CA -0.853 55.376 56.100 0.215 0.000 0.898 147 R CB 1.967 32.424 30.300 0.262 0.000 1.183 147 R HN 0.560 nan 8.270 nan 0.000 0.456 148 K N 2.088 122.542 120.400 0.090 0.000 2.504 148 K HA -0.033 4.287 4.320 -0.000 0.000 0.278 148 K C 0.358 176.988 176.600 0.051 0.000 1.025 148 K CA 1.818 58.135 56.287 0.049 0.000 1.093 148 K CB 0.060 32.565 32.500 0.008 0.000 0.873 148 K HN 0.866 nan 8.250 nan 0.000 0.483 149 G N 3.248 112.073 108.800 0.041 0.000 2.176 149 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 149 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 149 G C -0.415 174.509 174.900 0.039 0.000 0.986 149 G CA 0.042 45.161 45.100 0.031 0.000 0.643 149 G HN 0.725 nan 8.290 nan 0.000 0.522 150 D N 0.403 120.844 120.400 0.069 0.000 2.350 150 D HA 0.451 5.091 4.640 -0.000 0.000 0.249 150 D C 0.617 176.935 176.300 0.030 0.000 1.119 150 D CA 0.247 54.300 54.000 0.088 0.000 0.886 150 D CB 1.169 42.072 40.800 0.171 0.000 1.195 150 D HN 0.281 nan 8.370 nan 0.000 0.437 151 I N 3.751 124.335 120.570 0.023 0.000 2.328 151 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 151 I C -0.103 176.041 176.117 0.045 0.000 1.012 151 I CA -0.776 60.493 61.300 -0.052 0.000 1.195 151 I CB 0.344 38.317 38.000 -0.045 0.000 1.350 151 I HN 0.198 nan 8.210 nan 0.000 0.464 152 F N 6.005 125.980 119.950 0.042 0.000 2.538 152 F HA 0.782 5.309 4.527 -0.000 0.000 0.325 152 F C -1.310 174.442 175.800 -0.080 0.000 1.066 152 F CA -1.338 56.675 58.000 0.021 0.000 0.946 152 F CB 1.370 40.416 39.000 0.076 0.000 1.199 152 F HN 0.181 nan 8.300 nan 0.000 0.473 153 L N 3.506 124.928 121.223 0.332 0.000 2.317 153 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 153 L C -1.071 175.872 176.870 0.121 0.000 1.024 153 L CA -0.790 54.128 54.840 0.130 0.000 0.810 153 L CB 1.895 43.983 42.059 0.048 0.000 1.240 153 L HN 0.635 nan 8.230 nan 0.000 0.427 154 V N 5.004 124.934 119.914 0.026 0.000 2.483 154 V HA 0.521 4.641 4.120 -0.000 0.000 0.297 154 V C -0.200 175.966 176.094 0.119 0.000 1.027 154 V CA -0.755 61.613 62.300 0.114 0.000 0.855 154 V CB 1.550 33.475 31.823 0.170 0.000 0.995 154 V HN 0.609 nan 8.190 nan 0.000 0.424 155 R N 3.227 123.817 120.500 0.150 0.000 2.230 155 R HA 0.676 5.016 4.340 -0.000 0.000 0.337 155 R C 0.336 176.752 176.300 0.193 0.000 1.063 155 R CA -0.112 56.068 56.100 0.134 0.000 0.935 155 R CB 1.433 31.779 30.300 0.077 0.000 1.121 155 R HN 0.939 nan 8.270 nan 0.000 0.486 156 G N -0.631 108.362 108.800 0.322 0.000 2.682 156 G HA2 0.440 4.400 3.960 -0.000 0.000 0.290 156 G HA3 0.440 4.400 3.960 -0.000 0.000 0.290 156 G C 0.198 175.241 174.900 0.238 0.000 1.425 156 G CA -0.311 44.911 45.100 0.204 0.000 0.807 156 G HN 0.526 nan 8.290 nan 0.000 0.482 157 G N -0.582 108.222 108.800 0.007 0.000 2.233 157 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.270 157 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.270 157 G C 0.879 175.833 174.900 0.091 0.000 1.011 157 G CA 1.020 46.144 45.100 0.040 0.000 0.762 157 G HN 1.722 nan 8.290 nan 0.000 0.511 158 M N -2.504 117.142 119.600 0.077 0.000 2.417 158 M HA -0.231 4.249 4.480 -0.000 0.000 0.205 158 M C 0.862 177.200 176.300 0.064 0.000 0.452 158 M CA 2.064 57.400 55.300 0.060 0.000 0.512 158 M CB -1.076 31.547 32.600 0.038 0.000 1.774 158 M HN 1.254 nan 8.290 nan 0.000 0.874 159 R N -1.247 119.302 120.500 0.082 0.000 3.875 159 R HA 0.886 5.226 4.340 -0.000 0.000 0.255 159 R C -1.760 174.555 176.300 0.026 0.000 0.953 159 R CA -0.462 55.664 56.100 0.043 0.000 0.771 159 R CB 0.819 31.138 30.300 0.032 0.000 1.781 159 R HN 0.385 nan 8.270 nan 0.000 0.393 160 A N 0.508 123.305 122.820 -0.039 0.000 2.422 160 A HA 0.691 5.011 4.320 -0.000 0.000 0.302 160 A C -1.322 176.129 177.584 -0.223 0.000 1.041 160 A CA -0.700 51.282 52.037 -0.092 0.000 0.708 160 A CB 2.233 21.185 19.000 -0.080 0.000 1.257 160 A HN 0.425 nan 8.150 nan 0.000 0.414 161 V N 2.002 121.707 119.914 -0.347 0.000 2.483 161 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 161 V C -0.323 175.330 176.094 -0.736 0.000 1.027 161 V CA -0.561 61.346 62.300 -0.654 0.000 0.855 161 V CB 1.392 32.570 31.823 -1.075 0.000 0.995 161 V HN 0.928 nan 8.190 nan 0.000 0.424 162 E N 4.270 124.071 120.200 -0.664 0.000 2.146 162 E HA 0.547 4.897 4.350 -0.000 0.000 0.282 162 E C -1.516 174.678 176.600 -0.676 0.000 0.989 162 E CA -0.307 55.783 56.400 -0.516 0.000 0.799 162 E CB 1.321 30.851 29.700 -0.283 0.000 1.088 162 E HN 0.509 nan 8.360 nan 0.000 0.397 163 F N 2.142 121.849 119.950 -0.405 0.000 2.482 163 F HA 0.334 4.861 4.527 -0.000 0.000 0.331 163 F C 0.328 175.737 175.800 -0.651 0.000 1.115 163 F CA -1.022 56.638 58.000 -0.567 0.000 0.955 163 F CB 1.548 40.080 39.000 -0.780 0.000 1.136 163 F HN 0.164 nan 8.300 nan 0.000 0.452 164 K N 2.869 123.182 120.400 -0.144 0.000 2.240 164 K HA 0.574 4.894 4.320 -0.000 0.000 0.271 164 K C -1.226 175.327 176.600 -0.080 0.000 1.018 164 K CA -0.529 55.684 56.287 -0.123 0.000 0.874 164 K CB 1.204 33.675 32.500 -0.049 0.000 1.098 164 K HN 0.493 nan 8.250 nan 0.000 0.458 165 V N 6.122 125.999 119.914 -0.061 0.000 2.381 165 V HA -0.015 4.105 4.120 -0.000 0.000 0.257 165 V C 1.183 177.295 176.094 0.029 0.000 1.057 165 V CA -0.174 62.136 62.300 0.016 0.000 1.013 165 V CB 0.630 32.495 31.823 0.070 0.000 1.069 165 V HN 0.703 nan 8.190 nan 0.000 0.484 166 V N 3.119 123.067 119.914 0.057 0.000 2.331 166 V HA 0.092 4.212 4.120 -0.000 0.000 0.242 166 V C 0.825 176.903 176.094 -0.026 0.000 1.034 166 V CA 1.025 63.346 62.300 0.034 0.000 1.027 166 V CB -0.066 31.810 31.823 0.089 0.000 0.667 166 V HN 0.849 nan 8.190 nan 0.000 0.457 167 E N 0.755 120.938 120.200 -0.029 0.000 2.281 167 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 167 E C -0.781 175.794 176.600 -0.042 0.000 0.893 167 E CA -0.305 56.042 56.400 -0.088 0.000 0.798 167 E CB 1.467 31.023 29.700 -0.239 0.000 1.245 167 E HN 0.424 nan 8.360 nan 0.000 0.410 168 T N 1.711 116.244 114.554 -0.035 0.000 2.770 168 T HA 0.310 4.660 4.350 -0.000 0.000 0.283 168 T C 0.689 175.363 174.700 -0.044 0.000 0.988 168 T CA -0.870 61.213 62.100 -0.029 0.000 0.957 168 T CB 1.617 70.489 68.868 0.007 0.000 0.930 168 T HN 0.366 nan 8.240 nan 0.000 0.443 169 D N 2.990 123.358 120.400 -0.053 0.000 2.157 169 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 169 D C -1.377 174.902 176.300 -0.035 0.000 0.995 169 D CA 1.054 55.025 54.000 -0.048 0.000 0.860 169 D CB -0.937 39.834 40.800 -0.048 0.000 1.016 169 D HN 0.376 nan 8.370 nan 0.000 0.452 170 P HA 0.040 nan 4.420 nan 0.000 0.252 170 P C -0.841 176.435 177.300 -0.040 0.000 1.635 170 P CA 0.156 63.248 63.100 -0.013 0.000 1.206 170 P CB 0.056 31.770 31.700 0.023 0.000 1.911 171 S N 3.441 119.100 115.700 -0.069 0.000 2.576 171 S HA 0.218 4.688 4.470 -0.000 0.000 0.276 171 S C -0.452 174.027 174.600 -0.201 0.000 1.339 171 S CA -1.171 56.962 58.200 -0.110 0.000 1.039 171 S CB 0.156 63.303 63.200 -0.089 0.000 0.902 171 S HN 0.256 nan 8.310 nan 0.000 0.516 172 P HA 0.040 nan 4.420 nan 0.000 0.213 172 P C -0.302 176.910 177.300 -0.146 0.000 1.176 172 P CA 0.958 63.905 63.100 -0.255 0.000 0.894 172 P CB -0.202 31.309 31.700 -0.316 0.000 0.771 173 Y N 1.308 121.617 120.300 0.016 0.000 2.320 173 Y HA 0.543 5.093 4.550 -0.000 0.000 0.334 173 Y C 0.464 176.370 175.900 0.010 0.000 1.055 173 Y CA -2.527 55.587 58.100 0.022 0.000 1.143 173 Y CB -0.379 38.099 38.460 0.030 0.000 1.193 173 Y HN 0.197 nan 8.280 nan 0.000 0.477 174 C N 2.555 121.982 119.300 0.212 0.000 3.161 174 C HA 0.841 5.301 4.460 -0.000 0.000 0.330 174 C C -0.427 174.595 174.990 0.053 0.000 1.396 174 C CA -1.472 57.616 59.018 0.116 0.000 1.536 174 C CB 1.103 28.876 27.740 0.056 0.000 1.978 174 C HN 0.888 nan 8.230 nan 0.000 0.454 175 I N 1.967 122.509 120.570 -0.046 0.000 2.405 175 I HA 0.230 4.400 4.170 -0.000 0.000 0.280 175 I C -0.144 175.920 176.117 -0.088 0.000 1.027 175 I CA -0.478 60.751 61.300 -0.118 0.000 1.161 175 I CB 1.551 39.330 38.000 -0.368 0.000 1.300 175 I HN 0.553 nan 8.210 nan 0.000 0.463 176 V N 6.581 126.489 119.914 -0.011 0.000 2.568 176 V HA -0.086 4.033 4.120 -0.000 0.000 0.270 176 V C 1.097 177.271 176.094 0.133 0.000 0.963 176 V CA 0.322 62.597 62.300 -0.041 0.000 1.161 176 V CB -0.844 30.818 31.823 -0.268 0.000 0.969 176 V HN 0.811 nan 8.190 nan 0.000 0.464 177 A N 8.899 131.812 122.820 0.156 0.000 2.239 177 A HA 0.731 5.051 4.320 -0.000 0.000 0.303 177 A C -0.544 177.230 177.584 0.316 0.000 1.114 177 A CA -1.180 51.063 52.037 0.344 0.000 0.871 177 A CB 0.348 19.576 19.000 0.379 0.000 1.201 177 A HN 0.567 nan 8.150 nan 0.000 0.506 178 P HA -0.086 nan 4.420 nan 0.000 0.219 178 P C -0.037 177.360 177.300 0.161 0.000 1.150 178 P CA 1.456 64.702 63.100 0.244 0.000 0.814 178 P CB -0.006 31.841 31.700 0.245 0.000 0.787 179 D N -0.895 119.591 120.400 0.142 0.000 2.340 179 D HA -0.001 4.639 4.640 -0.000 0.000 0.220 179 D C 0.128 176.471 176.300 0.071 0.000 1.039 179 D CA 0.613 54.667 54.000 0.091 0.000 0.866 179 D CB -0.521 40.317 40.800 0.063 0.000 0.913 179 D HN 0.088 nan 8.370 nan 0.000 0.523 180 T N 1.368 115.966 114.554 0.074 0.000 2.855 180 T HA 0.133 4.483 4.350 -0.000 0.000 0.290 180 T C 0.352 175.048 174.700 -0.006 0.000 0.941 180 T CA -0.357 61.758 62.100 0.024 0.000 1.030 180 T CB 0.617 69.489 68.868 0.006 0.000 0.935 180 T HN -0.165 nan 8.240 nan 0.000 0.564 181 V N 6.250 126.161 119.914 -0.005 0.000 2.484 181 V HA -0.013 4.107 4.120 -0.000 0.000 0.276 181 V C 0.836 176.897 176.094 -0.056 0.000 0.976 181 V CA 0.356 62.659 62.300 0.005 0.000 1.141 181 V CB -0.775 31.091 31.823 0.072 0.000 0.975 181 V HN 0.756 nan 8.190 nan 0.000 0.466 182 I N 6.555 127.072 120.570 -0.088 0.000 2.260 182 I HA 0.209 4.379 4.170 -0.000 0.000 0.297 182 I C 0.871 176.889 176.117 -0.166 0.000 1.143 182 I CA -0.092 61.119 61.300 -0.148 0.000 1.271 182 I CB -0.332 37.596 38.000 -0.121 0.000 1.461 182 I HN 0.628 nan 8.210 nan 0.000 0.530 183 H N 4.461 123.391 119.070 -0.234 0.000 2.690 183 H HA 0.205 4.761 4.556 -0.000 0.000 0.365 183 H C -0.266 174.872 175.328 -0.317 0.000 1.142 183 H CA -0.581 55.302 56.048 -0.275 0.000 1.417 183 H CB 1.712 31.341 29.762 -0.221 0.000 1.446 183 H HN 0.525 nan 8.280 nan 0.000 0.599 184 C N 4.175 123.364 119.300 -0.184 0.000 2.919 184 C HA 0.193 4.653 4.460 -0.000 0.000 0.337 184 C C -0.030 174.860 174.990 -0.167 0.000 1.039 184 C CA -0.647 58.255 59.018 -0.194 0.000 1.373 184 C CB -1.008 26.649 27.740 -0.139 0.000 1.843 184 C HN 0.858 nan 8.230 nan 0.000 0.493 185 E N 1.829 121.905 120.200 -0.207 0.000 3.570 185 E HA 0.469 4.819 4.350 -0.000 0.000 0.298 185 E C 1.077 177.644 176.600 -0.055 0.000 1.489 185 E CA 0.659 56.986 56.400 -0.121 0.000 1.457 185 E CB 0.360 30.001 29.700 -0.099 0.000 1.247 185 E HN 0.783 nan 8.360 nan 0.000 0.778 186 G N 0.128 108.914 108.800 -0.024 0.000 4.959 186 G HA2 0.205 4.165 3.960 -0.000 0.000 0.297 186 G HA3 0.205 4.165 3.960 -0.000 0.000 0.297 186 G C -0.576 174.331 174.900 0.012 0.000 1.351 186 G CA -0.232 44.869 45.100 0.002 0.000 1.016 186 G HN 0.115 nan 8.290 nan 0.000 0.592 187 E N 1.394 121.604 120.200 0.017 0.000 3.352 187 E HA 0.202 4.552 4.350 -0.000 0.000 0.254 187 E C -2.655 173.962 176.600 0.028 0.000 1.229 187 E CA -1.419 54.995 56.400 0.023 0.000 0.949 187 E CB 1.879 31.595 29.700 0.026 0.000 1.373 187 E HN 0.162 nan 8.360 nan 0.000 0.392 188 P HA -0.097 nan 4.420 nan 0.000 0.260 188 P C 0.008 177.320 177.300 0.020 0.000 1.147 188 P CA 0.788 63.906 63.100 0.030 0.000 0.758 188 P CB 0.300 32.012 31.700 0.020 0.000 0.744 189 I N 3.238 123.820 120.570 0.021 0.000 2.471 189 I HA 0.067 4.237 4.170 -0.000 0.000 0.286 189 I C 1.278 177.393 176.117 -0.003 0.000 1.079 189 I CA -0.413 60.894 61.300 0.012 0.000 1.398 189 I CB 0.339 38.348 38.000 0.014 0.000 1.403 189 I HN 0.285 nan 8.210 nan 0.000 0.530 190 K N 6.862 127.261 120.400 -0.002 0.000 2.489 190 K HA -0.010 4.310 4.320 -0.000 0.000 0.278 190 K C 0.437 177.029 176.600 -0.013 0.000 1.000 190 K CA -0.244 56.039 56.287 -0.007 0.000 1.012 190 K CB 0.460 32.958 32.500 -0.003 0.000 0.903 190 K HN 0.509 nan 8.250 nan 0.000 0.485 191 R N 4.336 124.825 120.500 -0.018 0.000 2.402 191 R HA -0.032 4.308 4.340 -0.000 0.000 0.331 191 R C -0.542 175.750 176.300 -0.014 0.000 1.040 191 R CA -0.288 55.799 56.100 -0.022 0.000 0.980 191 R CB 0.367 30.651 30.300 -0.027 0.000 0.967 191 R HN 0.518 nan 8.270 nan 0.000 0.440 192 E N 3.244 123.437 120.200 -0.012 0.000 2.392 192 E HA -0.104 4.246 4.350 -0.000 0.000 0.264 192 E C 0.420 177.016 176.600 -0.006 0.000 1.024 192 E CA 0.126 56.521 56.400 -0.007 0.000 0.903 192 E CB 0.862 30.558 29.700 -0.006 0.000 0.963 192 E HN 0.688 nan 8.360 nan 0.000 0.432 193 D N 2.477 122.875 120.400 -0.003 0.000 2.269 193 D HA -0.279 4.361 4.640 -0.000 0.000 0.191 193 D C 1.551 177.852 176.300 0.002 0.000 1.007 193 D CA 2.524 56.524 54.000 0.000 0.000 0.855 193 D CB 0.205 41.005 40.800 0.000 0.000 0.979 193 D HN 0.563 nan 8.370 nan 0.000 0.452 194 E N 0.881 121.082 120.200 0.002 0.000 2.160 194 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 194 E C 0.405 177.006 176.600 0.001 0.000 0.991 194 E CA 0.924 57.326 56.400 0.004 0.000 0.810 194 E CB -0.959 28.743 29.700 0.004 0.000 0.742 194 E HN 0.590 nan 8.360 nan 0.000 0.466 195 E N 3.078 123.276 120.200 -0.003 0.000 2.323 195 E HA 0.034 4.384 4.350 -0.000 0.000 0.313 195 E C -0.166 176.426 176.600 -0.013 0.000 1.236 195 E CA -0.156 56.239 56.400 -0.008 0.000 1.333 195 E CB -0.492 29.200 29.700 -0.013 0.000 1.138 195 E HN 0.428 nan 8.360 nan 0.000 0.492 196 E N 0.717 120.911 120.200 -0.010 0.000 2.459 196 E HA -0.021 4.329 4.350 -0.000 0.000 0.264 196 E C -0.029 176.555 176.600 -0.026 0.000 1.055 196 E CA -0.175 56.217 56.400 -0.013 0.000 0.957 196 E CB 0.624 30.317 29.700 -0.012 0.000 0.952 196 E HN 0.039 nan 8.360 nan 0.000 0.448 197 S N 1.403 117.084 115.700 -0.032 0.000 2.576 197 S HA 0.023 4.493 4.470 -0.000 0.000 0.272 197 S C 0.871 175.442 174.600 -0.048 0.000 1.352 197 S CA -0.499 57.674 58.200 -0.045 0.000 1.021 197 S CB 0.226 63.397 63.200 -0.048 0.000 0.887 197 S HN 0.563 nan 8.310 nan 0.000 0.542 198 L N 2.859 124.049 121.223 -0.054 0.000 2.640 198 L HA 0.214 4.554 4.340 -0.000 0.000 0.230 198 L C 1.613 178.449 176.870 -0.055 0.000 1.123 198 L CA 0.179 54.991 54.840 -0.047 0.000 0.900 198 L CB -0.481 41.555 42.059 -0.038 0.000 1.146 198 L HN 0.653 nan 8.230 nan 0.000 0.484 199 N N 0.081 118.742 118.700 -0.064 0.000 2.336 199 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 199 N C 0.488 175.957 175.510 -0.069 0.000 1.113 199 N CA 0.107 53.116 53.050 -0.067 0.000 0.858 199 N CB 0.344 38.789 38.487 -0.070 0.000 0.970 199 N HN 0.047 nan 8.380 nan 0.000 0.471 200 E N 0.372 120.529 120.200 -0.070 0.000 2.392 200 E HA 0.013 4.363 4.350 -0.000 0.000 0.264 200 E C -0.196 176.342 176.600 -0.102 0.000 1.024 200 E CA -0.206 56.144 56.400 -0.083 0.000 0.903 200 E CB 1.315 30.967 29.700 -0.080 0.000 0.963 200 E HN -0.014 nan 8.360 nan 0.000 0.432 201 V N 3.276 123.114 119.914 -0.126 0.000 2.539 201 V HA 0.044 4.164 4.120 -0.000 0.000 0.294 201 V C 0.971 176.976 176.094 -0.148 0.000 0.994 201 V CA 1.042 63.257 62.300 -0.142 0.000 1.169 201 V CB -0.198 31.505 31.823 -0.200 0.000 0.898 201 V HN 0.694 nan 8.190 nan 0.000 0.471 202 G N 3.142 111.879 108.800 -0.105 0.000 3.013 202 G HA2 0.472 4.432 3.960 -0.000 0.000 0.278 202 G HA3 0.472 4.432 3.960 -0.000 0.000 0.278 202 G C -0.094 174.807 174.900 0.002 0.000 1.353 202 G CA -0.410 44.627 45.100 -0.105 0.000 1.043 202 G HN 0.356 nan 8.290 nan 0.000 0.523 203 Y N 0.841 121.110 120.300 -0.052 0.000 2.133 203 Y HA -0.085 4.465 4.550 -0.000 0.000 0.287 203 Y C 2.883 178.763 175.900 -0.034 0.000 1.134 203 Y CA 1.628 59.703 58.100 -0.041 0.000 1.133 203 Y CB -0.214 38.230 38.460 -0.028 0.000 0.987 203 Y HN 0.607 nan 8.280 nan 0.000 0.502 204 D N -0.663 119.827 120.400 0.151 0.000 2.357 204 D HA -0.197 4.443 4.640 -0.000 0.000 0.216 204 D C 0.897 177.216 176.300 0.031 0.000 0.973 204 D CA 1.363 55.404 54.000 0.069 0.000 0.912 204 D CB -0.423 40.404 40.800 0.044 0.000 0.900 204 D HN 0.398 nan 8.370 nan 0.000 0.501 205 D N 0.635 121.049 120.400 0.023 0.000 2.305 205 D HA 0.077 4.717 4.640 -0.000 0.000 0.206 205 D C 1.261 177.568 176.300 0.012 0.000 0.974 205 D CA 0.003 53.993 54.000 -0.016 0.000 0.871 205 D CB 0.703 41.474 40.800 -0.047 0.000 0.947 205 D HN 0.495 nan 8.370 nan 0.000 0.516 206 I N -0.612 119.982 120.570 0.040 0.000 2.371 206 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 206 I C 0.348 176.486 176.117 0.035 0.000 1.028 206 I CA -0.514 60.812 61.300 0.043 0.000 1.345 206 I CB 1.603 39.628 38.000 0.040 0.000 1.407 206 I HN -0.280 nan 8.210 nan 0.000 0.501 207 G N 2.922 111.749 108.800 0.045 0.000 2.600 207 G HA2 0.542 4.502 3.960 -0.000 0.000 0.303 207 G HA3 0.542 4.502 3.960 -0.000 0.000 0.303 207 G C 0.589 175.501 174.900 0.019 0.000 1.253 207 G CA -0.585 44.534 45.100 0.032 0.000 0.974 207 G HN 1.275 nan 8.290 nan 0.000 0.483 208 G N -1.325 107.479 108.800 0.006 0.000 2.413 208 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.259 208 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.259 208 G C 0.757 175.656 174.900 -0.002 0.000 1.003 208 G CA 1.023 46.124 45.100 0.000 0.000 0.629 208 G HN 1.202 nan 8.290 nan 0.000 0.548 209 C N 1.958 121.256 119.300 -0.003 0.000 2.138 209 C HA 0.582 5.042 4.460 -0.000 0.000 0.398 209 C C 1.764 176.737 174.990 -0.028 0.000 1.029 209 C CA -0.436 58.578 59.018 -0.007 0.000 1.426 209 C CB -0.838 26.902 27.740 -0.000 0.000 1.652 209 C HN 0.571 nan 8.230 nan 0.000 0.486 210 R N 1.384 121.868 120.500 -0.027 0.000 2.023 210 R HA 0.068 4.408 4.340 -0.000 0.000 0.217 210 R C 2.072 178.345 176.300 -0.044 0.000 1.255 210 R CA 0.585 56.659 56.100 -0.043 0.000 0.981 210 R CB -0.102 30.179 30.300 -0.032 0.000 0.853 210 R HN 0.435 nan 8.270 nan 0.000 0.463 211 K N 1.269 121.654 120.400 -0.025 0.000 2.107 211 K HA -0.292 4.028 4.320 -0.000 0.000 0.211 211 K C 2.309 178.903 176.600 -0.010 0.000 1.049 211 K CA 2.317 58.595 56.287 -0.015 0.000 0.927 211 K CB -0.149 32.351 32.500 -0.001 0.000 0.714 211 K HN 0.412 nan 8.250 nan 0.000 0.452 212 Q N 0.627 120.425 119.800 -0.005 0.000 2.212 212 Q HA -0.042 4.298 4.340 -0.000 0.000 0.199 212 Q C 2.236 178.230 176.000 -0.011 0.000 0.950 212 Q CA 0.648 56.455 55.803 0.007 0.000 0.863 212 Q CB -0.344 28.407 28.738 0.022 0.000 0.944 212 Q HN 0.293 nan 8.270 nan 0.000 0.465 213 L N 1.235 122.435 121.223 -0.039 0.000 1.955 213 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 213 L C 2.489 179.304 176.870 -0.091 0.000 1.072 213 L CA 1.800 56.593 54.840 -0.079 0.000 0.755 213 L CB -0.793 41.182 42.059 -0.141 0.000 0.888 213 L HN 0.394 nan 8.230 nan 0.000 0.432 214 A N -0.735 122.024 122.820 -0.102 0.000 2.171 214 A HA -0.322 3.998 4.320 -0.000 0.000 0.223 214 A C 2.012 179.576 177.584 -0.032 0.000 1.166 214 A CA 2.244 54.231 52.037 -0.083 0.000 0.668 214 A CB -0.556 18.409 19.000 -0.059 0.000 0.807 214 A HN 0.772 nan 8.150 nan 0.000 0.475 215 Q N -1.140 118.653 119.800 -0.012 0.000 2.165 215 Q HA 0.109 4.449 4.340 -0.000 0.000 0.197 215 Q C 2.009 178.025 176.000 0.028 0.000 0.952 215 Q CA 0.959 56.772 55.803 0.017 0.000 0.848 215 Q CB -0.139 28.617 28.738 0.030 0.000 0.931 215 Q HN 0.748 nan 8.270 nan 0.000 0.470 216 I N 1.326 121.909 120.570 0.022 0.000 2.208 216 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 216 I C 2.074 178.223 176.117 0.054 0.000 1.097 216 I CA 1.271 62.595 61.300 0.040 0.000 1.363 216 I CB -0.260 37.761 38.000 0.035 0.000 1.051 216 I HN 0.158 nan 8.210 nan 0.000 0.413 217 K N 1.022 121.444 120.400 0.036 0.000 2.044 217 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 217 K C 1.937 178.583 176.600 0.077 0.000 1.049 217 K CA 2.072 58.398 56.287 0.064 0.000 0.927 217 K CB -0.359 32.135 32.500 -0.011 0.000 0.713 217 K HN 0.569 nan 8.250 nan 0.000 0.443 218 E N 0.968 121.203 120.200 0.058 0.000 2.152 218 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 218 E C 2.081 178.731 176.600 0.084 0.000 0.983 218 E CA 0.707 57.151 56.400 0.073 0.000 0.818 218 E CB -0.299 29.437 29.700 0.059 0.000 0.758 218 E HN 0.263 nan 8.360 nan 0.000 0.467 219 M N 1.619 121.262 119.600 0.071 0.000 2.080 219 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 219 M C 2.644 178.984 176.300 0.066 0.000 1.068 219 M CA 2.243 57.584 55.300 0.067 0.000 1.109 219 M CB -0.415 32.219 32.600 0.057 0.000 1.342 219 M HN 0.239 nan 8.290 nan 0.000 0.405 220 V N -2.482 117.473 119.914 0.069 0.000 2.535 220 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 220 V C 1.922 178.074 176.094 0.095 0.000 1.045 220 V CA 1.683 64.021 62.300 0.064 0.000 1.058 220 V CB -0.941 30.921 31.823 0.065 0.000 0.689 220 V HN 0.358 nan 8.190 nan 0.000 0.461 221 E N 1.184 121.453 120.200 0.114 0.000 2.181 221 E HA -0.289 4.061 4.350 -0.000 0.000 0.225 221 E C 1.871 178.594 176.600 0.205 0.000 1.073 221 E CA 2.949 59.433 56.400 0.139 0.000 0.916 221 E CB -0.752 29.039 29.700 0.151 0.000 0.793 221 E HN 0.675 nan 8.360 nan 0.000 0.472 222 L N 0.003 121.389 121.223 0.271 0.000 1.961 222 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 222 L C -0.432 176.744 176.870 0.510 0.000 1.075 222 L CA 1.965 57.058 54.840 0.423 0.000 0.749 222 L CB -1.664 40.657 42.059 0.437 0.000 0.890 222 L HN 0.315 nan 8.230 nan 0.000 0.433 223 P HA -0.174 nan 4.420 nan 0.000 0.221 223 P C 1.691 179.021 177.300 0.051 0.000 1.150 223 P CA 1.344 64.505 63.100 0.102 0.000 0.800 223 P CB 0.171 31.556 31.700 -0.525 0.000 0.787 224 L N -0.809 120.457 121.223 0.072 0.000 2.249 224 L HA 0.184 4.524 4.340 -0.000 0.000 0.207 224 L C 2.454 179.360 176.870 0.059 0.000 1.090 224 L CA 1.446 56.325 54.840 0.066 0.000 0.802 224 L CB -0.391 41.698 42.059 0.049 0.000 0.947 224 L HN -0.292 nan 8.230 nan 0.000 0.453 225 R N -2.063 118.433 120.500 -0.007 0.000 2.335 225 R HA 0.211 4.551 4.340 -0.000 0.000 0.210 225 R C -0.218 175.866 176.300 -0.360 0.000 0.892 225 R CA 0.013 55.997 56.100 -0.192 0.000 1.048 225 R CB 0.377 30.496 30.300 -0.302 0.000 1.067 225 R HN 0.294 nan 8.270 nan 0.000 0.524 226 H N -0.305 118.863 119.070 0.162 0.000 2.448 226 H HA 0.205 4.761 4.556 -0.000 0.000 0.237 226 H C -2.195 173.269 175.328 0.228 0.000 1.391 226 H CA -2.142 53.992 56.048 0.143 0.000 1.477 226 H CB 1.449 31.262 29.762 0.086 0.000 1.520 226 H HN -0.047 nan 8.280 nan 0.000 0.502 227 P HA -0.165 nan 4.420 nan 0.000 0.211 227 P C 1.703 179.336 177.300 0.555 0.000 1.179 227 P CA 1.866 65.318 63.100 0.587 0.000 0.910 227 P CB 0.299 32.230 31.700 0.385 0.000 0.785 228 A N -0.722 122.269 122.820 0.284 0.000 1.958 228 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 228 A C 2.191 179.846 177.584 0.118 0.000 1.178 228 A CA 1.806 53.948 52.037 0.176 0.000 0.642 228 A CB -1.861 17.197 19.000 0.096 0.000 0.816 228 A HN 0.170 nan 8.150 nan 0.000 0.453 229 L N -1.566 119.685 121.223 0.046 0.000 2.089 229 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 229 L C 1.421 178.100 176.870 -0.319 0.000 1.079 229 L CA 1.817 56.544 54.840 -0.189 0.000 0.758 229 L CB -0.525 41.330 42.059 -0.339 0.000 0.891 229 L HN 0.372 nan 8.230 nan 0.000 0.433 230 F N -0.801 119.194 119.950 0.075 0.000 2.696 230 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 230 F C 1.916 177.767 175.800 0.085 0.000 1.181 230 F CA 0.200 58.224 58.000 0.041 0.000 1.411 230 F CB -0.400 38.567 39.000 -0.054 0.000 1.014 230 F HN 0.063 nan 8.300 nan 0.000 0.512 231 K N -0.253 120.247 120.400 0.167 0.000 2.362 231 K HA 0.311 4.631 4.320 -0.000 0.000 0.203 231 K C 1.758 178.399 176.600 0.068 0.000 1.198 231 K CA 0.578 56.947 56.287 0.137 0.000 0.908 231 K CB 0.306 32.883 32.500 0.129 0.000 1.236 231 K HN 0.070 nan 8.250 nan 0.000 0.487 232 A N 1.654 124.491 122.820 0.029 0.000 2.291 232 A HA 0.296 4.616 4.320 -0.000 0.000 0.220 232 A C 0.340 177.913 177.584 -0.018 0.000 1.262 232 A CA 0.126 52.165 52.037 0.002 0.000 0.867 232 A CB -0.337 18.656 19.000 -0.011 0.000 0.888 232 A HN 0.180 nan 8.150 nan 0.000 0.487 233 I N -2.232 118.331 120.570 -0.011 0.000 2.994 233 I HA 0.494 4.664 4.170 -0.000 0.000 0.306 233 I C 0.207 176.351 176.117 0.046 0.000 1.195 233 I CA -0.915 60.373 61.300 -0.021 0.000 1.001 233 I CB 2.541 40.466 38.000 -0.124 0.000 1.244 233 I HN 0.042 nan 8.210 nan 0.000 0.437 234 G N 3.360 112.189 108.800 0.047 0.000 4.138 234 G HA2 0.587 4.547 3.960 -0.000 0.000 0.335 234 G HA3 0.587 4.547 3.960 -0.000 0.000 0.335 234 G C -1.252 173.696 174.900 0.081 0.000 1.517 234 G CA -0.128 45.015 45.100 0.072 0.000 0.960 234 G HN 0.257 nan 8.290 nan 0.000 0.493 235 V N 0.818 120.816 119.914 0.139 0.000 2.925 235 V HA 0.409 4.529 4.120 -0.000 0.000 0.311 235 V C -0.390 175.803 176.094 0.165 0.000 1.104 235 V CA -1.128 61.257 62.300 0.143 0.000 0.954 235 V CB 2.654 34.566 31.823 0.148 0.000 1.022 235 V HN 0.482 nan 8.190 nan 0.000 0.427 236 K N 5.381 125.841 120.400 0.100 0.000 2.228 236 K HA 0.288 4.608 4.320 -0.000 0.000 0.284 236 K C -2.355 174.266 176.600 0.034 0.000 1.088 236 K CA -1.032 55.287 56.287 0.053 0.000 0.941 236 K CB 0.357 32.881 32.500 0.040 0.000 1.158 236 K HN 0.399 nan 8.250 nan 0.000 0.438 237 P HA 0.196 nan 4.420 nan 0.000 0.292 237 P C -2.450 174.753 177.300 -0.161 0.000 1.326 237 P CA -1.541 61.448 63.100 -0.185 0.000 0.787 237 P CB 0.588 31.856 31.700 -0.720 0.000 0.903 238 P HA -0.088 nan 4.420 nan 0.000 0.266 238 P C 0.481 177.720 177.300 -0.103 0.000 1.162 238 P CA 0.361 63.429 63.100 -0.053 0.000 0.758 238 P CB 1.364 33.059 31.700 -0.008 0.000 0.774 239 R N 1.625 122.067 120.500 -0.097 0.000 2.306 239 R HA 0.199 4.539 4.340 -0.000 0.000 0.183 239 R C 0.945 177.155 176.300 -0.150 0.000 0.937 239 R CA 0.496 56.518 56.100 -0.129 0.000 1.118 239 R CB 0.078 30.287 30.300 -0.152 0.000 1.224 239 R HN 0.603 nan 8.270 nan 0.000 0.597 240 G N 1.650 110.325 108.800 -0.207 0.000 2.325 240 G HA2 0.525 4.485 3.960 -0.000 0.000 0.298 240 G HA3 0.525 4.485 3.960 -0.000 0.000 0.298 240 G C -0.790 174.145 174.900 0.057 0.000 1.134 240 G CA -0.478 44.455 45.100 -0.278 0.000 0.876 240 G HN 0.173 nan 8.290 nan 0.000 0.452 241 I N 2.629 123.324 120.570 0.209 0.000 2.411 241 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 241 I C -0.771 175.493 176.117 0.245 0.000 1.012 241 I CA -0.688 60.731 61.300 0.198 0.000 1.119 241 I CB 1.904 39.982 38.000 0.131 0.000 1.261 241 I HN 0.204 nan 8.210 nan 0.000 0.448 242 L N 7.637 128.950 121.223 0.150 0.000 2.307 242 L HA 0.545 4.885 4.340 -0.000 0.000 0.282 242 L C -1.028 175.778 176.870 -0.107 0.000 1.051 242 L CA -0.341 54.470 54.840 -0.047 0.000 0.804 242 L CB 1.291 43.233 42.059 -0.194 0.000 1.197 242 L HN 0.344 nan 8.230 nan 0.000 0.431 243 L N 5.553 126.674 121.223 -0.169 0.000 2.349 243 L HA 0.479 4.818 4.340 -0.000 0.000 0.278 243 L C -0.742 176.018 176.870 -0.183 0.000 0.996 243 L CA -0.290 54.502 54.840 -0.079 0.000 0.825 243 L CB 1.143 43.217 42.059 0.025 0.000 1.243 243 L HN 0.391 nan 8.230 nan 0.000 0.412 244 Y N 1.153 121.477 120.300 0.040 0.000 2.458 244 Y HA 0.866 5.416 4.550 -0.000 0.000 0.322 244 Y C 1.046 176.963 175.900 0.029 0.000 1.259 244 Y CA 0.037 58.152 58.100 0.026 0.000 1.302 244 Y CB 1.881 40.354 38.460 0.022 0.000 1.314 244 Y HN 0.709 nan 8.280 nan 0.000 0.509 245 G N 0.503 109.437 108.800 0.223 0.000 2.361 245 G HA2 0.185 4.145 3.960 -0.000 0.000 0.331 245 G HA3 0.185 4.145 3.960 -0.000 0.000 0.331 245 G C -3.415 171.538 174.900 0.088 0.000 1.324 245 G CA -1.272 43.904 45.100 0.126 0.000 0.984 245 G HN 0.421 nan 8.290 nan 0.000 0.586 246 P HA 0.534 nan 4.420 nan 0.000 0.292 246 P C -2.887 174.431 177.300 0.030 0.000 1.300 246 P CA -1.859 61.264 63.100 0.039 0.000 0.900 246 P CB 1.435 33.149 31.700 0.023 0.000 1.139 247 P HA 0.025 nan 4.420 nan 0.000 0.261 247 P C 1.015 178.323 177.300 0.013 0.000 1.165 247 P CA 1.774 64.884 63.100 0.016 0.000 0.759 247 P CB -0.365 31.338 31.700 0.006 0.000 0.772 248 G N 2.045 110.858 108.800 0.022 0.000 2.141 248 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 248 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 248 G C 1.000 175.915 174.900 0.026 0.000 0.982 248 G CA 0.396 45.507 45.100 0.019 0.000 0.662 248 G HN 0.607 nan 8.290 nan 0.000 0.527 249 T N -0.439 114.135 114.554 0.034 0.000 3.088 249 T HA 0.405 4.755 4.350 -0.000 0.000 0.259 249 T C 1.938 176.662 174.700 0.040 0.000 1.122 249 T CA 2.197 64.319 62.100 0.038 0.000 1.095 249 T CB -0.515 68.380 68.868 0.046 0.000 0.930 249 T HN 2.231 nan 8.240 nan 0.000 0.508 250 G N 1.625 110.451 108.800 0.044 0.000 2.207 250 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 250 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 250 G C 0.645 175.563 174.900 0.030 0.000 1.053 250 G CA 0.386 45.511 45.100 0.041 0.000 0.764 250 G HN 0.531 nan 8.290 nan 0.000 0.495 251 K N -0.548 119.883 120.400 0.052 0.000 1.985 251 K HA -0.067 4.253 4.320 -0.000 0.000 0.210 251 K C 2.563 179.142 176.600 -0.034 0.000 1.047 251 K CA 1.756 58.069 56.287 0.043 0.000 0.932 251 K CB -0.489 32.090 32.500 0.131 0.000 0.716 251 K HN 0.261 nan 8.250 nan 0.000 0.439 252 T N 2.686 117.289 114.554 0.082 0.000 2.620 252 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 252 T C 1.777 176.387 174.700 -0.150 0.000 1.044 252 T CA 1.490 63.621 62.100 0.051 0.000 1.161 252 T CB -0.371 68.604 68.868 0.180 0.000 0.862 252 T HN 0.189 nan 8.240 nan 0.000 0.438 253 L N 0.236 121.411 121.223 -0.079 0.000 1.970 253 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 253 L C 2.440 179.233 176.870 -0.129 0.000 1.071 253 L CA 1.716 56.496 54.840 -0.100 0.000 0.751 253 L CB -0.402 41.640 42.059 -0.029 0.000 0.889 253 L HN 0.330 nan 8.230 nan 0.000 0.432 254 I N -0.340 120.176 120.570 -0.089 0.000 2.315 254 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 254 I C 2.556 178.601 176.117 -0.120 0.000 1.125 254 I CA 1.094 62.358 61.300 -0.060 0.000 1.392 254 I CB -0.435 37.543 38.000 -0.037 0.000 1.065 254 I HN 0.360 nan 8.210 nan 0.000 0.424 255 A N 0.529 123.182 122.820 -0.279 0.000 1.831 255 A HA -0.133 4.187 4.320 -0.000 0.000 0.213 255 A C 2.393 179.722 177.584 -0.426 0.000 1.223 255 A CA 0.932 52.724 52.037 -0.410 0.000 0.604 255 A CB -0.684 17.728 19.000 -0.980 0.000 0.878 255 A HN 0.199 nan 8.150 nan 0.000 0.450 256 R N -0.423 119.670 120.500 -0.678 0.000 2.185 256 R HA -0.215 4.125 4.340 -0.000 0.000 0.247 256 R C 2.074 178.021 176.300 -0.588 0.000 1.159 256 R CA 1.448 56.896 56.100 -1.088 0.000 0.988 256 R CB -0.314 29.454 30.300 -0.887 0.000 0.871 256 R HN 0.523 nan 8.270 nan 0.000 0.458 257 A N -0.528 122.088 122.820 -0.341 0.000 2.021 257 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 257 A C 2.050 179.479 177.584 -0.259 0.000 1.163 257 A CA 0.619 52.513 52.037 -0.238 0.000 0.676 257 A CB 0.141 19.086 19.000 -0.092 0.000 0.818 257 A HN 0.180 nan 8.150 nan 0.000 0.453 258 V N -0.386 119.459 119.914 -0.115 0.000 2.719 258 V HA -0.097 4.023 4.120 -0.000 0.000 0.252 258 V C 2.810 178.846 176.094 -0.097 0.000 1.065 258 V CA 1.485 63.772 62.300 -0.022 0.000 1.086 258 V CB -0.637 31.264 31.823 0.129 0.000 0.700 258 V HN 0.587 nan 8.190 nan 0.000 0.467 259 A N 0.374 123.132 122.820 -0.102 0.000 1.835 259 A HA -0.131 4.189 4.320 -0.000 0.000 0.213 259 A C 1.988 179.513 177.584 -0.098 0.000 1.210 259 A CA 1.355 53.375 52.037 -0.028 0.000 0.605 259 A CB -0.689 18.383 19.000 0.119 0.000 0.860 259 A HN 0.498 nan 8.150 nan 0.000 0.447 260 N N -0.256 118.334 118.700 -0.183 0.000 2.503 260 N HA -0.167 4.573 4.740 -0.000 0.000 0.189 260 N C 1.354 176.740 175.510 -0.207 0.000 1.048 260 N CA 1.461 54.408 53.050 -0.172 0.000 0.905 260 N CB -0.066 38.297 38.487 -0.208 0.000 0.951 260 N HN 0.629 nan 8.380 nan 0.000 0.446 261 E N -0.637 119.385 120.200 -0.297 0.000 2.364 261 E HA 0.045 4.395 4.350 -0.000 0.000 0.196 261 E C 0.725 177.178 176.600 -0.244 0.000 0.990 261 E CA 0.568 56.720 56.400 -0.413 0.000 0.886 261 E CB 0.278 29.401 29.700 -0.963 0.000 0.866 261 E HN 0.299 nan 8.360 nan 0.000 0.493 262 T N -3.354 111.114 114.554 -0.143 0.000 3.296 262 T HA 0.395 4.745 4.350 -0.000 0.000 0.285 262 T C 1.066 175.751 174.700 -0.026 0.000 1.014 262 T CA -0.081 61.980 62.100 -0.065 0.000 0.920 262 T CB 0.442 69.294 68.868 -0.026 0.000 1.143 262 T HN 0.165 nan 8.240 nan 0.000 0.522 263 G N 1.126 109.910 108.800 -0.026 0.000 2.283 263 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.280 263 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.280 263 G C 0.259 175.196 174.900 0.061 0.000 1.029 263 G CA -0.091 45.018 45.100 0.015 0.000 0.840 263 G HN 1.247 nan 8.290 nan 0.000 0.505 264 A N -0.488 122.375 122.820 0.073 0.000 2.303 264 A HA 0.738 5.058 4.320 -0.000 0.000 0.317 264 A C -0.056 177.644 177.584 0.193 0.000 1.149 264 A CA -0.681 51.432 52.037 0.128 0.000 0.822 264 A CB 0.812 19.877 19.000 0.108 0.000 1.131 264 A HN 1.340 nan 8.150 nan 0.000 0.493 265 F N 2.377 122.383 119.950 0.094 0.000 2.467 265 F HA 0.453 4.980 4.527 -0.000 0.000 0.362 265 F C -0.673 175.226 175.800 0.165 0.000 1.090 265 F CA -1.015 57.054 58.000 0.116 0.000 1.202 265 F CB 0.181 39.231 39.000 0.083 0.000 1.113 265 F HN 0.410 nan 8.300 nan 0.000 0.541 266 F N 8.958 128.502 119.950 -0.676 0.000 2.361 266 F HA 0.369 4.896 4.527 -0.000 0.000 0.364 266 F C -1.599 173.713 175.800 -0.814 0.000 1.120 266 F CA -1.022 56.639 58.000 -0.565 0.000 1.102 266 F CB 0.300 39.129 39.000 -0.285 0.000 1.183 266 F HN 0.394 nan 8.300 nan 0.000 0.476 267 F N 8.337 127.526 119.950 -1.268 0.000 2.375 267 F HA 0.494 5.021 4.527 -0.000 0.000 0.361 267 F C -1.420 173.923 175.800 -0.762 0.000 1.117 267 F CA -1.083 56.396 58.000 -0.869 0.000 1.037 267 F CB 0.760 39.459 39.000 -0.501 0.000 1.192 267 F HN 0.387 nan 8.300 nan 0.000 0.452 268 L N 7.023 127.545 121.223 -1.168 0.000 2.375 268 L HA 0.521 4.861 4.340 -0.000 0.000 0.271 268 L C -0.797 175.688 176.870 -0.642 0.000 1.107 268 L CA -0.146 54.267 54.840 -0.712 0.000 0.806 268 L CB 0.909 42.780 42.059 -0.312 0.000 1.146 268 L HN 0.567 nan 8.230 nan 0.000 0.447 269 I N 4.892 125.242 120.570 -0.367 0.000 2.623 269 I HA 0.206 4.376 4.170 -0.000 0.000 0.275 269 I C -0.300 175.679 176.117 -0.230 0.000 1.108 269 I CA -0.446 60.714 61.300 -0.233 0.000 1.120 269 I CB 0.766 38.677 38.000 -0.148 0.000 1.249 269 I HN 0.564 nan 8.210 nan 0.000 0.500 270 N N 4.172 122.760 118.700 -0.186 0.000 2.406 270 N HA 0.038 4.778 4.740 -0.000 0.000 0.265 270 N C 1.255 176.691 175.510 -0.122 0.000 1.203 270 N CA 0.468 53.426 53.050 -0.153 0.000 0.945 270 N CB 1.587 40.010 38.487 -0.107 0.000 1.165 270 N HN 0.771 nan 8.380 nan 0.000 0.485 271 G N 5.174 113.890 108.800 -0.141 0.000 2.556 271 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 271 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 271 G C -0.893 173.965 174.900 -0.070 0.000 1.156 271 G CA 0.566 45.603 45.100 -0.104 0.000 0.766 271 G HN 0.543 nan 8.290 nan 0.000 0.583 272 P HA -0.013 nan 4.420 nan 0.000 0.217 272 P C 1.582 178.859 177.300 -0.038 0.000 1.150 272 P CA 1.490 64.563 63.100 -0.045 0.000 0.832 272 P CB 0.071 31.747 31.700 -0.041 0.000 0.787 273 E N 0.337 120.511 120.200 -0.044 0.000 2.038 273 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 273 E C 1.719 178.305 176.600 -0.024 0.000 1.000 273 E CA 1.519 57.898 56.400 -0.035 0.000 0.803 273 E CB -1.123 28.549 29.700 -0.047 0.000 0.750 273 E HN 0.017 nan 8.360 nan 0.000 0.448 274 I N 0.585 121.139 120.570 -0.027 0.000 2.850 274 I HA -0.144 4.026 4.170 -0.000 0.000 0.266 274 I C 1.607 177.719 176.117 -0.008 0.000 1.257 274 I CA 0.993 62.287 61.300 -0.010 0.000 1.465 274 I CB -0.875 37.120 38.000 -0.009 0.000 1.091 274 I HN 0.348 nan 8.210 nan 0.000 0.467 275 M N -0.210 119.381 119.600 -0.016 0.000 2.534 275 M HA 0.064 4.544 4.480 -0.000 0.000 0.263 275 M C 1.961 178.253 176.300 -0.013 0.000 1.152 275 M CA 0.638 55.929 55.300 -0.015 0.000 1.145 275 M CB -0.983 31.605 32.600 -0.021 0.000 1.333 275 M HN 0.242 nan 8.290 nan 0.000 0.477 276 S N 0.127 115.819 115.700 -0.014 0.000 2.786 276 S HA 0.119 4.589 4.470 -0.000 0.000 0.223 276 S C 0.475 175.071 174.600 -0.007 0.000 0.956 276 S CA 0.015 58.208 58.200 -0.012 0.000 0.961 276 S CB -0.306 62.886 63.200 -0.013 0.000 0.784 276 S HN 0.101 nan 8.310 nan 0.000 0.519 277 K N 1.678 122.075 120.400 -0.003 0.000 2.221 277 K HA 0.446 4.766 4.320 -0.000 0.000 0.258 277 K C 0.043 176.643 176.600 0.001 0.000 0.944 277 K CA -0.903 55.385 56.287 0.001 0.000 0.823 277 K CB 1.629 34.133 32.500 0.007 0.000 1.113 277 K HN 0.238 nan 8.250 nan 0.000 0.431 278 L N 1.473 122.697 121.223 0.002 0.000 2.749 278 L HA -0.196 4.144 4.340 -0.000 0.000 0.313 278 L C 0.758 177.629 176.870 0.001 0.000 1.251 278 L CA 0.126 54.966 54.840 0.001 0.000 0.867 278 L CB -0.224 41.837 42.059 0.003 0.000 1.122 278 L HN 0.670 nan 8.230 nan 0.000 0.513 279 A N 3.282 126.102 122.820 -0.001 0.000 2.594 279 A HA 0.405 4.725 4.320 -0.000 0.000 0.291 279 A C 1.145 178.731 177.584 0.003 0.000 1.374 279 A CA 0.763 52.800 52.037 -0.001 0.000 1.025 279 A CB -0.834 18.163 19.000 -0.004 0.000 1.072 279 A HN 1.121 nan 8.150 nan 0.000 0.555 280 G N 1.337 110.141 108.800 0.006 0.000 3.435 280 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.197 280 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.197 280 G C 1.099 176.007 174.900 0.012 0.000 1.497 280 G CA 0.445 45.550 45.100 0.009 0.000 1.043 280 G HN 0.638 nan 8.290 nan 0.000 0.466 281 E N 1.125 121.331 120.200 0.012 0.000 2.219 281 E HA -0.177 4.173 4.350 -0.000 0.000 0.198 281 E C 2.334 178.946 176.600 0.020 0.000 0.998 281 E CA 1.906 58.315 56.400 0.015 0.000 0.818 281 E CB -0.226 29.482 29.700 0.013 0.000 0.741 281 E HN 0.451 nan 8.360 nan 0.000 0.477 282 S N 0.332 116.042 115.700 0.018 0.000 2.389 282 S HA -0.287 4.183 4.470 -0.000 0.000 0.229 282 S C 1.625 176.245 174.600 0.033 0.000 1.048 282 S CA 2.000 60.213 58.200 0.022 0.000 1.117 282 S CB -0.288 62.921 63.200 0.015 0.000 1.020 282 S HN 0.325 nan 8.310 nan 0.000 0.430 283 E N 1.045 121.263 120.200 0.031 0.000 2.026 283 E HA -0.129 4.221 4.350 -0.000 0.000 0.206 283 E C 2.366 178.993 176.600 0.046 0.000 1.028 283 E CA 1.467 57.890 56.400 0.039 0.000 0.845 283 E CB -1.026 28.690 29.700 0.027 0.000 0.772 283 E HN 0.485 nan 8.360 nan 0.000 0.462 284 S N 0.057 115.778 115.700 0.034 0.000 2.414 284 S HA -0.381 4.089 4.470 -0.000 0.000 0.241 284 S C 1.698 176.324 174.600 0.043 0.000 1.079 284 S CA 2.162 60.382 58.200 0.033 0.000 1.087 284 S CB -0.611 62.604 63.200 0.024 0.000 0.927 284 S HN 0.352 nan 8.310 nan 0.000 0.456 285 N N 0.328 119.058 118.700 0.049 0.000 2.006 285 N HA -0.081 4.659 4.740 -0.000 0.000 0.196 285 N C 1.877 177.434 175.510 0.078 0.000 1.057 285 N CA 1.682 54.768 53.050 0.061 0.000 0.853 285 N CB -0.404 38.121 38.487 0.062 0.000 1.051 285 N HN 0.308 nan 8.380 nan 0.000 0.423 286 L N 1.212 122.497 121.223 0.104 0.000 2.103 286 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 286 L C 2.515 179.539 176.870 0.257 0.000 1.080 286 L CA 1.395 56.342 54.840 0.179 0.000 0.764 286 L CB -0.311 41.874 42.059 0.210 0.000 0.890 286 L HN 0.220 nan 8.230 nan 0.000 0.435 287 R N -0.470 120.128 120.500 0.163 0.000 2.062 287 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 287 R C 2.350 178.704 176.300 0.090 0.000 1.136 287 R CA 1.414 57.600 56.100 0.143 0.000 0.948 287 R CB -0.358 29.982 30.300 0.067 0.000 0.845 287 R HN 0.253 nan 8.270 nan 0.000 0.430 288 K N 0.792 121.203 120.400 0.019 0.000 2.097 288 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 288 K C 2.117 178.591 176.600 -0.210 0.000 1.049 288 K CA 1.230 57.480 56.287 -0.062 0.000 0.933 288 K CB -0.122 32.350 32.500 -0.046 0.000 0.717 288 K HN 0.171 nan 8.250 nan 0.000 0.442 289 A N 0.840 123.532 122.820 -0.212 0.000 1.881 289 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 289 A C 1.915 179.131 177.584 -0.613 0.000 1.215 289 A CA 1.937 53.668 52.037 -0.510 0.000 0.648 289 A CB -0.991 17.874 19.000 -0.225 0.000 0.832 289 A HN 0.388 nan 8.150 nan 0.000 0.455 290 F N -0.775 119.070 119.950 -0.174 0.000 2.456 290 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 290 F C 2.216 177.941 175.800 -0.124 0.000 1.104 290 F CA 1.152 59.080 58.000 -0.120 0.000 1.435 290 F CB -0.101 38.863 39.000 -0.059 0.000 1.078 290 F HN 0.366 nan 8.300 nan 0.000 0.546 291 E N 0.357 120.566 120.200 0.014 0.000 2.418 291 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 291 E C 1.811 178.358 176.600 -0.088 0.000 1.026 291 E CA 0.732 57.118 56.400 -0.022 0.000 0.862 291 E CB 0.081 29.767 29.700 -0.023 0.000 0.799 291 E HN 0.520 nan 8.360 nan 0.000 0.518 292 E N -1.322 118.762 120.200 -0.193 0.000 2.434 292 E HA 0.126 4.476 4.350 -0.000 0.000 0.207 292 E C 1.509 178.055 176.600 -0.091 0.000 0.929 292 E CA 0.477 56.761 56.400 -0.193 0.000 1.001 292 E CB 0.308 29.815 29.700 -0.322 0.000 1.016 292 E HN 0.236 nan 8.360 nan 0.000 0.502 293 A N 0.736 123.487 122.820 -0.115 0.000 2.072 293 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 293 A C 1.612 179.251 177.584 0.093 0.000 1.156 293 A CA 0.562 52.635 52.037 0.059 0.000 0.701 293 A CB -0.095 18.864 19.000 -0.067 0.000 0.816 293 A HN 0.160 nan 8.150 nan 0.000 0.458 294 E N -0.408 119.822 120.200 0.049 0.000 2.489 294 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 294 E C 1.421 178.036 176.600 0.024 0.000 1.057 294 E CA 0.171 56.606 56.400 0.060 0.000 0.866 294 E CB 0.155 29.891 29.700 0.060 0.000 0.916 294 E HN 0.568 nan 8.360 nan 0.000 0.500 295 K N 0.514 120.912 120.400 -0.003 0.000 2.054 295 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 295 K C 1.335 177.907 176.600 -0.047 0.000 1.031 295 K CA 0.878 57.138 56.287 -0.045 0.000 0.952 295 K CB 0.029 32.471 32.500 -0.095 0.000 0.775 295 K HN -0.053 nan 8.250 nan 0.000 0.447 296 N N 1.237 119.892 118.700 -0.075 0.000 2.575 296 N HA 0.041 4.781 4.740 -0.000 0.000 0.192 296 N C -0.290 175.263 175.510 0.072 0.000 1.200 296 N CA 0.167 53.177 53.050 -0.066 0.000 0.897 296 N CB -0.149 38.169 38.487 -0.282 0.000 0.990 296 N HN 0.197 nan 8.380 nan 0.000 0.449 297 A N 1.536 124.412 122.820 0.093 0.000 2.609 297 A HA 0.093 4.413 4.320 -0.000 0.000 0.232 297 A C -1.740 175.900 177.584 0.093 0.000 1.041 297 A CA -0.666 51.444 52.037 0.122 0.000 0.753 297 A CB -0.448 18.621 19.000 0.115 0.000 0.966 297 A HN 0.105 nan 8.150 nan 0.000 0.510 298 P HA 0.340 nan 4.420 nan 0.000 0.264 298 P C -0.353 177.051 177.300 0.173 0.000 1.179 298 P CA 1.074 64.284 63.100 0.183 0.000 0.763 298 P CB 0.588 32.387 31.700 0.164 0.000 0.806 299 A N 2.845 125.758 122.820 0.156 0.000 2.594 299 A HA 0.603 4.923 4.320 -0.000 0.000 0.296 299 A C -1.309 176.323 177.584 0.081 0.000 1.061 299 A CA -0.513 51.614 52.037 0.150 0.000 0.689 299 A CB 0.935 20.073 19.000 0.229 0.000 1.280 299 A HN 0.407 nan 8.150 nan 0.000 0.406 300 I N 2.559 123.148 120.570 0.032 0.000 2.354 300 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 300 I C -0.637 175.399 176.117 -0.134 0.000 1.007 300 I CA -0.281 61.028 61.300 0.014 0.000 1.167 300 I CB 1.334 39.401 38.000 0.111 0.000 1.320 300 I HN 0.499 nan 8.210 nan 0.000 0.458 301 I N 6.692 127.218 120.570 -0.074 0.000 2.291 301 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 301 I C -0.586 175.531 176.117 -0.001 0.000 1.064 301 I CA -0.311 60.904 61.300 -0.140 0.000 1.269 301 I CB 0.560 38.420 38.000 -0.234 0.000 1.418 301 I HN 0.412 nan 8.210 nan 0.000 0.485 302 F N 8.749 128.512 119.950 -0.312 0.000 2.334 302 F HA 0.483 5.010 4.527 -0.000 0.000 0.367 302 F C -0.082 175.653 175.800 -0.108 0.000 1.115 302 F CA -1.176 56.739 58.000 -0.140 0.000 1.116 302 F CB 0.504 39.475 39.000 -0.048 0.000 1.230 302 F HN 0.217 nan 8.300 nan 0.000 0.484 303 I N 5.654 125.989 120.570 -0.392 0.000 2.322 303 I HA 0.098 4.268 4.170 -0.000 0.000 0.292 303 I C -0.226 175.385 176.117 -0.843 0.000 1.060 303 I CA -0.298 60.719 61.300 -0.471 0.000 1.309 303 I CB 0.600 38.493 38.000 -0.178 0.000 1.415 303 I HN 0.501 nan 8.210 nan 0.000 0.492 304 D N 5.492 125.404 120.400 -0.813 0.000 2.225 304 D HA 0.121 4.761 4.640 -0.000 0.000 0.249 304 D C 0.061 176.164 176.300 -0.329 0.000 1.052 304 D CA -0.037 53.568 54.000 -0.659 0.000 0.909 304 D CB 0.802 41.331 40.800 -0.452 0.000 1.186 304 D HN 0.493 nan 8.370 nan 0.000 0.431 305 E N 1.050 121.117 120.200 -0.221 0.000 2.238 305 E HA -0.256 4.094 4.350 -0.000 0.000 0.219 305 E C 0.774 177.286 176.600 -0.147 0.000 1.275 305 E CA -0.249 56.066 56.400 -0.142 0.000 0.714 305 E CB -0.625 29.015 29.700 -0.100 0.000 1.154 305 E HN 0.471 nan 8.360 nan 0.000 0.363 306 L N 1.198 122.309 121.223 -0.186 0.000 2.012 306 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 306 L C 1.865 178.653 176.870 -0.136 0.000 1.073 306 L CA 2.850 57.580 54.840 -0.183 0.000 0.748 306 L CB -0.366 41.536 42.059 -0.263 0.000 0.891 306 L HN 0.377 nan 8.230 nan 0.000 0.431 307 D N -0.646 119.680 120.400 -0.125 0.000 2.397 307 D HA -0.225 4.415 4.640 -0.000 0.000 0.219 307 D C 1.683 177.945 176.300 -0.063 0.000 0.975 307 D CA 1.151 55.099 54.000 -0.087 0.000 0.940 307 D CB -0.264 40.494 40.800 -0.070 0.000 0.884 307 D HN 0.481 nan 8.370 nan 0.000 0.505 308 A N -0.255 122.524 122.820 -0.068 0.000 1.997 308 A HA 0.233 4.553 4.320 -0.000 0.000 0.212 308 A C 2.111 179.668 177.584 -0.046 0.000 1.178 308 A CA 0.218 52.225 52.037 -0.051 0.000 0.698 308 A CB -0.132 18.836 19.000 -0.053 0.000 0.842 308 A HN 0.270 nan 8.150 nan 0.000 0.458 309 I N -0.881 119.655 120.570 -0.056 0.000 2.512 309 I HA 0.085 4.255 4.170 -0.000 0.000 0.247 309 I C 1.462 177.559 176.117 -0.034 0.000 1.094 309 I CA 0.941 62.216 61.300 -0.041 0.000 1.427 309 I CB 0.102 38.076 38.000 -0.042 0.000 1.149 309 I HN 0.224 nan 8.210 nan 0.000 0.438 310 A N 2.326 125.114 122.820 -0.052 0.000 3.047 310 A HA 0.429 4.749 4.320 -0.000 0.000 0.337 310 A C -2.336 175.218 177.584 -0.050 0.000 1.143 310 A CA -0.930 51.080 52.037 -0.044 0.000 0.905 310 A CB -0.284 18.687 19.000 -0.048 0.000 1.088 310 A HN 0.076 nan 8.150 nan 0.000 0.488 311 P HA 0.203 nan 4.420 nan 0.000 0.253 311 P C 0.151 177.446 177.300 -0.010 0.000 1.872 311 P CA -0.262 62.822 63.100 -0.027 0.000 1.148 311 P CB 0.177 31.862 31.700 -0.025 0.000 1.753 312 K N 0.624 121.021 120.400 -0.006 0.000 2.678 312 K HA -0.087 4.233 4.320 -0.000 0.000 0.194 312 K C 0.976 177.580 176.600 0.007 0.000 1.031 312 K CA 0.227 56.517 56.287 0.005 0.000 0.961 312 K CB -0.026 32.478 32.500 0.007 0.000 0.793 312 K HN 0.151 nan 8.250 nan 0.000 0.492 313 R N 0.351 120.853 120.500 0.003 0.000 3.038 313 R HA -0.038 4.302 4.340 -0.000 0.000 0.263 313 R C 0.915 177.223 176.300 0.013 0.000 1.208 313 R CA 0.077 56.179 56.100 0.005 0.000 1.116 313 R CB -0.027 30.273 30.300 -0.001 0.000 1.045 313 R HN 0.061 nan 8.270 nan 0.000 0.549 314 E N 0.744 120.952 120.200 0.014 0.000 2.516 314 E HA -0.157 4.193 4.350 -0.000 0.000 0.206 314 E C 0.867 177.486 176.600 0.031 0.000 1.107 314 E CA 1.054 57.465 56.400 0.019 0.000 0.903 314 E CB -0.124 29.588 29.700 0.019 0.000 0.838 314 E HN 0.180 nan 8.360 nan 0.000 0.574 315 K N -0.548 119.872 120.400 0.032 0.000 2.358 315 K HA 0.053 4.373 4.320 -0.000 0.000 0.197 315 K C 0.187 176.822 176.600 0.059 0.000 1.025 315 K CA 0.128 56.441 56.287 0.044 0.000 1.104 315 K CB 0.351 32.867 32.500 0.027 0.000 0.855 315 K HN -0.078 nan 8.250 nan 0.000 0.531 316 T N 0.743 115.330 114.554 0.055 0.000 3.474 316 T HA 0.005 4.355 4.350 -0.000 0.000 0.270 316 T C -1.191 173.580 174.700 0.119 0.000 1.079 316 T CA -0.288 61.850 62.100 0.062 0.000 1.110 316 T CB -0.673 68.217 68.868 0.038 0.000 1.087 316 T HN 0.379 nan 8.240 nan 0.000 0.784 317 H N 2.385 121.455 119.070 0.001 0.000 2.675 317 H HA 0.567 5.123 4.556 -0.000 0.000 0.258 317 H C -0.234 175.095 175.328 0.001 0.000 1.271 317 H CA -0.823 55.226 56.048 0.002 0.000 1.462 317 H CB 0.077 29.841 29.762 0.003 0.000 1.467 317 H HN 0.740 nan 8.280 nan 0.000 0.501 318 G N 2.946 111.837 108.800 0.153 0.000 2.716 318 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.299 318 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.299 318 G C -0.044 174.884 174.900 0.047 0.000 1.450 318 G CA -0.587 44.532 45.100 0.032 0.000 0.968 318 G HN 0.465 nan 8.290 nan 0.000 0.566 319 E N 0.766 120.984 120.200 0.030 0.000 2.427 319 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 319 E C 1.853 178.461 176.600 0.014 0.000 1.028 319 E CA 0.672 57.088 56.400 0.027 0.000 0.864 319 E CB 0.731 30.445 29.700 0.023 0.000 0.813 319 E HN 0.302 nan 8.360 nan 0.000 0.514 320 V N 0.555 120.472 119.914 0.004 0.000 3.539 320 V HA -0.001 4.119 4.120 -0.000 0.000 0.262 320 V C 1.766 177.861 176.094 0.001 0.000 1.381 320 V CA 0.206 62.506 62.300 0.001 0.000 1.060 320 V CB 0.369 32.188 31.823 -0.006 0.000 0.842 320 V HN 0.009 nan 8.190 nan 0.000 0.445 321 E N 0.981 121.180 120.200 -0.002 0.000 2.208 321 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 321 E C 2.118 178.724 176.600 0.010 0.000 0.988 321 E CA 0.844 57.244 56.400 0.000 0.000 0.828 321 E CB 0.010 29.708 29.700 -0.003 0.000 0.763 321 E HN 0.526 nan 8.360 nan 0.000 0.478 322 R N 0.984 121.494 120.500 0.017 0.000 2.100 322 R HA 0.026 4.366 4.340 -0.000 0.000 0.220 322 R C 2.375 178.685 176.300 0.015 0.000 1.091 322 R CA 0.698 56.809 56.100 0.019 0.000 0.986 322 R CB 0.061 30.376 30.300 0.026 0.000 0.888 322 R HN -0.040 nan 8.270 nan 0.000 0.444 323 R N 0.527 121.035 120.500 0.014 0.000 2.115 323 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 323 R C 1.995 178.304 176.300 0.014 0.000 1.111 323 R CA 1.369 57.477 56.100 0.012 0.000 0.976 323 R CB -0.190 30.117 30.300 0.011 0.000 0.870 323 R HN 0.257 nan 8.270 nan 0.000 0.445 324 I N 0.003 120.582 120.570 0.015 0.000 2.113 324 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 324 I C 2.283 178.414 176.117 0.025 0.000 1.070 324 I CA 1.131 62.443 61.300 0.020 0.000 1.332 324 I CB -0.386 37.623 38.000 0.015 0.000 1.044 324 I HN 0.012 nan 8.210 nan 0.000 0.402 325 V N 0.617 120.543 119.914 0.020 0.000 2.250 325 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 325 V C 2.568 178.677 176.094 0.025 0.000 1.060 325 V CA 2.382 64.696 62.300 0.023 0.000 1.030 325 V CB -0.733 31.099 31.823 0.016 0.000 0.643 325 V HN 0.407 nan 8.190 nan 0.000 0.445 326 S N -0.735 114.975 115.700 0.017 0.000 2.392 326 S HA -0.386 4.084 4.470 -0.000 0.000 0.225 326 S C 1.994 176.597 174.600 0.006 0.000 1.041 326 S CA 2.105 60.312 58.200 0.010 0.000 1.100 326 S CB -0.572 62.633 63.200 0.007 0.000 1.029 326 S HN 0.637 nan 8.310 nan 0.000 0.424 327 Q N 0.945 120.750 119.800 0.009 0.000 2.268 327 Q HA -0.186 4.154 4.340 -0.000 0.000 0.213 327 Q C 1.870 177.871 176.000 0.002 0.000 0.995 327 Q CA 1.769 57.576 55.803 0.006 0.000 0.901 327 Q CB -0.528 28.224 28.738 0.022 0.000 0.921 327 Q HN 0.661 nan 8.270 nan 0.000 0.421 328 L N -1.608 119.632 121.223 0.029 0.000 2.162 328 L HA 0.066 4.406 4.340 -0.000 0.000 0.205 328 L C 1.822 178.689 176.870 -0.004 0.000 1.086 328 L CA 0.718 55.588 54.840 0.051 0.000 0.778 328 L CB -0.060 42.074 42.059 0.125 0.000 0.928 328 L HN 0.275 nan 8.230 nan 0.000 0.446 329 L N -0.367 120.863 121.223 0.012 0.000 2.291 329 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 329 L C 2.201 179.037 176.870 -0.056 0.000 1.120 329 L CA 1.027 55.867 54.840 -0.001 0.000 0.799 329 L CB -0.593 41.477 42.059 0.018 0.000 0.925 329 L HN 0.251 nan 8.230 nan 0.000 0.446 330 T N -0.298 114.215 114.554 -0.068 0.000 3.055 330 T HA 0.020 4.369 4.350 -0.000 0.000 0.265 330 T C 1.813 176.420 174.700 -0.154 0.000 1.111 330 T CA 0.846 62.895 62.100 -0.085 0.000 1.118 330 T CB 0.128 68.960 68.868 -0.060 0.000 0.909 330 T HN 0.210 nan 8.240 nan 0.000 0.501 331 L N -0.344 120.731 121.223 -0.245 0.000 2.425 331 L HA 0.265 4.605 4.340 -0.000 0.000 0.215 331 L C 1.875 178.445 176.870 -0.500 0.000 1.065 331 L CA 0.138 54.697 54.840 -0.468 0.000 0.842 331 L CB -0.123 41.453 42.059 -0.805 0.000 1.033 331 L HN 0.159 nan 8.230 nan 0.000 0.474 332 M N 0.053 119.444 119.600 -0.348 0.000 2.776 332 M HA -0.075 4.405 4.480 -0.000 0.000 0.233 332 M C 0.342 176.513 176.300 -0.215 0.000 1.078 332 M CA 1.146 56.279 55.300 -0.278 0.000 1.058 332 M CB -0.998 31.506 32.600 -0.159 0.000 1.611 332 M HN 0.222 nan 8.290 nan 0.000 0.541 333 D N -1.898 118.390 120.400 -0.187 0.000 2.409 333 D HA 0.141 4.781 4.640 -0.000 0.000 0.301 333 D C 1.802 178.027 176.300 -0.124 0.000 1.095 333 D CA 0.721 54.646 54.000 -0.125 0.000 0.929 333 D CB -0.621 40.128 40.800 -0.084 0.000 1.623 333 D HN 0.309 nan 8.370 nan 0.000 0.506 334 G N 1.605 110.314 108.800 -0.152 0.000 2.517 334 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.222 334 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.222 334 G C 0.851 175.684 174.900 -0.111 0.000 1.109 334 G CA 0.461 45.483 45.100 -0.130 0.000 0.746 334 G HN 0.175 nan 8.290 nan 0.000 0.576 335 L N 0.752 121.894 121.223 -0.136 0.000 2.410 335 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 335 L C 0.311 177.148 176.870 -0.055 0.000 1.144 335 L CA -0.157 54.634 54.840 -0.082 0.000 0.863 335 L CB 0.975 42.986 42.059 -0.080 0.000 1.140 335 L HN 0.118 nan 8.230 nan 0.000 0.463 336 K N 2.115 122.502 120.400 -0.021 0.000 2.106 336 K HA 0.217 4.537 4.320 -0.000 0.000 0.246 336 K C 0.585 177.182 176.600 -0.006 0.000 0.987 336 K CA -0.950 55.332 56.287 -0.009 0.000 0.904 336 K CB 1.070 33.577 32.500 0.013 0.000 1.071 336 K HN 0.389 nan 8.250 nan 0.000 0.453 337 Q N 1.134 120.927 119.800 -0.012 0.000 2.112 337 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 337 Q C 1.613 177.616 176.000 0.005 0.000 0.987 337 Q CA 1.773 57.547 55.803 -0.049 0.000 0.858 337 Q CB -0.348 28.388 28.738 -0.004 0.000 0.905 337 Q HN 0.475 nan 8.270 nan 0.000 0.420 338 R N 0.455 121.024 120.500 0.115 0.000 2.237 338 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 338 R C 2.172 178.688 176.300 0.360 0.000 1.080 338 R CA 0.733 56.990 56.100 0.262 0.000 0.995 338 R CB -0.362 30.034 30.300 0.159 0.000 0.875 338 R HN 0.248 nan 8.270 nan 0.000 0.462 339 A N 0.617 123.556 122.820 0.199 0.000 1.972 339 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 339 A C 0.013 177.756 177.584 0.265 0.000 1.169 339 A CA 1.335 53.471 52.037 0.165 0.000 0.635 339 A CB -0.322 18.728 19.000 0.083 0.000 0.810 339 A HN 0.531 nan 8.150 nan 0.000 0.446 340 H N -2.648 116.427 119.070 0.008 0.000 2.882 340 H HA -0.090 4.466 4.556 -0.000 0.000 0.314 340 H C -0.874 174.467 175.328 0.022 0.000 1.270 340 H CA 0.328 56.383 56.048 0.012 0.000 1.165 340 H CB -2.368 27.422 29.762 0.046 0.000 1.436 340 H HN 0.317 nan 8.280 nan 0.000 0.431 341 V N 0.472 120.424 119.914 0.063 0.000 2.789 341 V HA 0.506 4.626 4.120 -0.000 0.000 0.311 341 V C 0.617 176.719 176.094 0.013 0.000 1.073 341 V CA -0.764 61.577 62.300 0.067 0.000 0.921 341 V CB 2.969 34.859 31.823 0.112 0.000 1.009 341 V HN 0.230 nan 8.190 nan 0.000 0.426 342 I N 3.529 124.114 120.570 0.026 0.000 2.420 342 I HA 0.381 4.551 4.170 -0.000 0.000 0.282 342 I C -0.534 175.616 176.117 0.056 0.000 1.019 342 I CA -0.705 60.602 61.300 0.011 0.000 1.130 342 I CB 1.934 39.941 38.000 0.012 0.000 1.262 342 I HN 0.335 nan 8.210 nan 0.000 0.454 343 V N 7.400 127.344 119.914 0.050 0.000 2.498 343 V HA 0.343 4.463 4.120 -0.000 0.000 0.279 343 V C 0.289 176.532 176.094 0.248 0.000 1.048 343 V CA -0.048 62.334 62.300 0.136 0.000 0.967 343 V CB 1.273 33.163 31.823 0.110 0.000 0.988 343 V HN 0.644 nan 8.190 nan 0.000 0.473 344 M N 4.527 124.339 119.600 0.354 0.000 2.243 344 M HA 0.697 5.177 4.480 -0.000 0.000 0.324 344 M C -0.288 176.334 176.300 0.537 0.000 1.031 344 M CA -0.314 55.244 55.300 0.430 0.000 0.949 344 M CB 2.037 34.828 32.600 0.319 0.000 1.615 344 M HN 0.708 nan 8.290 nan 0.000 0.430 345 A N 2.596 125.624 122.820 0.348 0.000 2.340 345 A HA 0.967 5.287 4.320 -0.000 0.000 0.331 345 A C -0.954 176.660 177.584 0.049 0.000 1.140 345 A CA -0.673 51.374 52.037 0.016 0.000 0.801 345 A CB 1.317 20.006 19.000 -0.518 0.000 1.234 345 A HN 0.855 nan 8.150 nan 0.000 0.469 346 A N 1.317 124.114 122.820 -0.038 0.000 2.340 346 A HA 0.703 5.023 4.320 -0.000 0.000 0.297 346 A C -0.178 177.334 177.584 -0.121 0.000 1.195 346 A CA -0.121 51.920 52.037 0.007 0.000 0.769 346 A CB 0.884 20.012 19.000 0.214 0.000 1.163 346 A HN 1.091 nan 8.150 nan 0.000 0.472 347 T N 0.330 114.778 114.554 -0.176 0.000 2.883 347 T HA 0.395 4.745 4.350 -0.000 0.000 0.284 347 T C 0.926 175.584 174.700 -0.069 0.000 1.041 347 T CA -0.374 61.633 62.100 -0.153 0.000 1.007 347 T CB 1.077 69.815 68.868 -0.216 0.000 1.220 347 T HN 0.639 nan 8.240 nan 0.000 0.552 348 N N -0.102 118.595 118.700 -0.005 0.000 2.368 348 N HA 0.178 4.918 4.740 -0.000 0.000 0.178 348 N C 0.245 175.857 175.510 0.169 0.000 1.021 348 N CA 0.041 53.128 53.050 0.062 0.000 0.875 348 N CB 0.358 38.861 38.487 0.026 0.000 1.020 348 N HN 0.501 nan 8.380 nan 0.000 0.433 349 R N -0.518 120.093 120.500 0.186 0.000 2.664 349 R HA 0.266 4.606 4.340 -0.000 0.000 0.266 349 R C -2.927 173.521 176.300 0.248 0.000 1.046 349 R CA -1.378 54.862 56.100 0.234 0.000 0.885 349 R CB 1.034 31.350 30.300 0.027 0.000 1.254 349 R HN -0.279 nan 8.270 nan 0.000 0.465 350 P HA -0.242 nan 4.420 nan 0.000 0.222 350 P C 0.233 177.574 177.300 0.069 0.000 1.154 350 P CA 1.909 65.102 63.100 0.155 0.000 0.874 350 P CB 0.029 31.709 31.700 -0.035 0.000 0.787 351 N N -2.257 116.447 118.700 0.006 0.000 2.446 351 N HA -0.002 4.738 4.740 -0.000 0.000 0.179 351 N C 1.539 177.033 175.510 -0.028 0.000 1.054 351 N CA 0.585 53.620 53.050 -0.025 0.000 0.905 351 N CB -0.472 37.975 38.487 -0.067 0.000 0.973 351 N HN 0.036 nan 8.380 nan 0.000 0.448 352 S N 0.287 115.973 115.700 -0.023 0.000 2.402 352 S HA 0.081 4.551 4.470 -0.000 0.000 0.229 352 S C 0.856 175.434 174.600 -0.036 0.000 1.021 352 S CA 0.550 58.730 58.200 -0.033 0.000 0.974 352 S CB 0.053 63.235 63.200 -0.031 0.000 0.800 352 S HN 0.222 nan 8.310 nan 0.000 0.484 353 I N 1.786 122.338 120.570 -0.030 0.000 2.713 353 I HA 0.157 4.327 4.170 -0.000 0.000 0.300 353 I C 0.102 176.201 176.117 -0.031 0.000 1.009 353 I CA -0.760 60.507 61.300 -0.055 0.000 1.305 353 I CB 0.699 38.650 38.000 -0.083 0.000 1.430 353 I HN 0.055 nan 8.210 nan 0.000 0.546 354 D N 5.519 125.896 120.400 -0.037 0.000 2.390 354 D HA 0.105 4.745 4.640 -0.000 0.000 0.249 354 D C -1.949 174.347 176.300 -0.007 0.000 1.144 354 D CA -1.593 52.397 54.000 -0.016 0.000 0.880 354 D CB 1.289 42.083 40.800 -0.011 0.000 1.182 354 D HN 0.136 nan 8.370 nan 0.000 0.451 355 P HA 0.013 nan 4.420 nan 0.000 0.231 355 P C 0.364 177.666 177.300 0.004 0.000 1.158 355 P CA 0.761 63.863 63.100 0.004 0.000 0.763 355 P CB 0.238 31.942 31.700 0.007 0.000 0.805 356 A N -1.094 121.731 122.820 0.009 0.000 2.132 356 A HA 0.049 4.369 4.320 -0.000 0.000 0.213 356 A C 1.797 179.399 177.584 0.030 0.000 1.154 356 A CA 0.555 52.602 52.037 0.016 0.000 0.753 356 A CB -1.071 17.940 19.000 0.018 0.000 0.826 356 A HN 0.148 nan 8.150 nan 0.000 0.469 357 L N -0.821 120.428 121.223 0.044 0.000 2.492 357 L HA 0.026 4.366 4.340 -0.000 0.000 0.223 357 L C 2.142 179.076 176.870 0.105 0.000 1.132 357 L CA 0.152 55.068 54.840 0.126 0.000 0.850 357 L CB -0.148 41.965 42.059 0.090 0.000 0.966 357 L HN 0.176 nan 8.230 nan 0.000 0.454 358 R N 0.033 120.537 120.500 0.007 0.000 2.276 358 R HA 0.083 4.423 4.340 -0.000 0.000 0.203 358 R C 0.573 176.731 176.300 -0.237 0.000 1.017 358 R CA 0.073 56.121 56.100 -0.086 0.000 1.010 358 R CB -0.307 29.945 30.300 -0.080 0.000 0.900 358 R HN 0.234 nan 8.270 nan 0.000 0.469 359 R N 0.843 121.266 120.500 -0.127 0.000 2.697 359 R HA -0.057 4.283 4.340 -0.000 0.000 0.265 359 R C -0.204 175.980 176.300 -0.194 0.000 1.009 359 R CA 0.364 56.394 56.100 -0.116 0.000 1.099 359 R CB -0.000 30.295 30.300 -0.008 0.000 0.965 359 R HN -0.089 nan 8.270 nan 0.000 0.428 360 F N 1.118 121.084 119.950 0.026 0.000 2.494 360 F HA 0.202 4.729 4.527 -0.000 0.000 0.351 360 F C 1.489 177.286 175.800 -0.005 0.000 1.205 360 F CA 1.144 59.154 58.000 0.015 0.000 1.125 360 F CB 0.565 39.574 39.000 0.016 0.000 1.268 360 F HN 0.798 nan 8.300 nan 0.000 0.593 361 G N 2.524 111.364 108.800 0.067 0.000 3.246 361 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 361 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 361 G C 0.841 175.693 174.900 -0.080 0.000 0.978 361 G CA -0.473 44.632 45.100 0.008 0.000 0.825 361 G HN 0.488 nan 8.290 nan 0.000 0.546 362 R N -0.857 119.580 120.500 -0.105 0.000 2.091 362 R HA 0.591 4.931 4.340 -0.000 0.000 0.121 362 R C -0.357 175.745 176.300 -0.331 0.000 1.812 362 R CA -0.326 55.645 56.100 -0.215 0.000 1.565 362 R CB -0.044 30.222 30.300 -0.057 0.000 1.305 362 R HN 0.066 nan 8.270 nan 0.000 0.467 363 F N 2.519 122.437 119.950 -0.053 0.000 2.300 363 F HA 0.174 4.701 4.527 -0.000 0.000 0.364 363 F C -0.083 175.663 175.800 -0.091 0.000 1.090 363 F CA -0.627 57.343 58.000 -0.049 0.000 1.200 363 F CB 0.798 39.772 39.000 -0.045 0.000 1.493 363 F HN 0.427 nan 8.300 nan 0.000 0.518 364 D N -0.928 119.485 120.400 0.022 0.000 2.407 364 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 364 D C 0.430 176.758 176.300 0.047 0.000 1.083 364 D CA 0.016 53.977 54.000 -0.065 0.000 0.844 364 D CB 0.323 41.076 40.800 -0.078 0.000 0.967 364 D HN -0.003 nan 8.370 nan 0.000 0.506 365 R N 1.624 122.180 120.500 0.094 0.000 2.272 365 R HA 0.350 4.690 4.340 -0.000 0.000 0.323 365 R C -0.509 175.874 176.300 0.139 0.000 1.002 365 R CA -0.260 55.910 56.100 0.116 0.000 0.900 365 R CB 0.666 31.025 30.300 0.098 0.000 1.151 365 R HN 0.349 nan 8.270 nan 0.000 0.507 366 E N 1.364 121.668 120.200 0.174 0.000 2.301 366 E HA 0.364 4.714 4.350 -0.000 0.000 0.275 366 E C -0.456 176.270 176.600 0.210 0.000 1.030 366 E CA -0.700 55.855 56.400 0.260 0.000 0.852 366 E CB 1.863 31.794 29.700 0.386 0.000 1.060 366 E HN 0.060 nan 8.360 nan 0.000 0.401 367 V N 2.627 122.674 119.914 0.221 0.000 2.445 367 V HA 0.055 4.175 4.120 -0.000 0.000 0.283 367 V C -0.890 175.326 176.094 0.204 0.000 1.014 367 V CA -0.842 61.554 62.300 0.161 0.000 0.852 367 V CB 1.535 33.420 31.823 0.103 0.000 1.021 367 V HN 0.678 nan 8.190 nan 0.000 0.435 368 D N 4.775 125.287 120.400 0.187 0.000 2.336 368 D HA 0.379 5.019 4.640 -0.000 0.000 0.249 368 D C -0.146 176.225 176.300 0.119 0.000 1.213 368 D CA 0.130 54.240 54.000 0.183 0.000 0.870 368 D CB 0.656 41.517 40.800 0.101 0.000 1.076 368 D HN 0.458 nan 8.370 nan 0.000 0.483 369 I N 3.204 123.847 120.570 0.122 0.000 2.440 369 I HA 0.556 4.726 4.170 -0.000 0.000 0.294 369 I C 1.195 177.358 176.117 0.077 0.000 0.995 369 I CA -0.361 60.986 61.300 0.079 0.000 1.306 369 I CB 1.757 39.796 38.000 0.066 0.000 1.407 369 I HN 0.458 nan 8.210 nan 0.000 0.501 370 G N 5.330 114.163 108.800 0.055 0.000 3.022 370 G HA2 0.617 4.577 3.960 -0.000 0.000 0.284 370 G HA3 0.617 4.577 3.960 -0.000 0.000 0.284 370 G C -0.746 174.178 174.900 0.041 0.000 1.375 370 G CA -0.880 44.250 45.100 0.050 0.000 0.902 370 G HN 0.431 nan 8.290 nan 0.000 0.538 371 I N 1.797 122.390 120.570 0.039 0.000 2.598 371 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 371 I C -1.853 174.283 176.117 0.031 0.000 1.140 371 I CA -1.017 60.306 61.300 0.038 0.000 1.420 371 I CB 1.093 39.120 38.000 0.044 0.000 1.387 371 I HN 0.108 nan 8.210 nan 0.000 0.553 372 P HA -0.013 nan 4.420 nan 0.000 0.264 372 P C -0.617 176.681 177.300 -0.005 0.000 1.193 372 P CA -0.157 62.950 63.100 0.011 0.000 0.763 372 P CB 0.318 32.024 31.700 0.009 0.000 0.810 373 D N 2.327 122.718 120.400 -0.015 0.000 2.414 373 D HA 0.054 4.694 4.640 -0.000 0.000 0.251 373 D C 1.180 177.440 176.300 -0.067 0.000 1.252 373 D CA -0.337 53.641 54.000 -0.037 0.000 0.999 373 D CB 0.462 41.247 40.800 -0.024 0.000 1.093 373 D HN 0.253 nan 8.370 nan 0.000 0.515 374 A N 0.427 123.189 122.820 -0.097 0.000 1.881 374 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 374 A C 2.281 179.817 177.584 -0.080 0.000 1.215 374 A CA 3.223 55.192 52.037 -0.113 0.000 0.648 374 A CB -1.501 17.431 19.000 -0.113 0.000 0.832 374 A HN 0.741 nan 8.150 nan 0.000 0.455 375 T N -0.338 114.180 114.554 -0.059 0.000 2.708 375 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 375 T C 1.986 176.663 174.700 -0.038 0.000 1.037 375 T CA 1.491 63.563 62.100 -0.047 0.000 1.146 375 T CB -1.027 67.819 68.868 -0.037 0.000 0.865 375 T HN 0.670 nan 8.240 nan 0.000 0.435 376 G N 2.120 110.901 108.800 -0.031 0.000 2.777 376 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.217 376 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.217 376 G C 1.493 176.381 174.900 -0.021 0.000 1.295 376 G CA 1.126 46.215 45.100 -0.019 0.000 0.800 376 G HN 0.446 nan 8.290 nan 0.000 0.637 377 R N -0.287 120.194 120.500 -0.031 0.000 2.228 377 R HA -0.167 4.173 4.340 -0.000 0.000 0.264 377 R C 2.420 178.694 176.300 -0.043 0.000 1.179 377 R CA 1.407 57.483 56.100 -0.040 0.000 0.998 377 R CB -0.606 29.655 30.300 -0.066 0.000 0.885 377 R HN 0.384 nan 8.270 nan 0.000 0.466 378 L N 1.464 122.659 121.223 -0.046 0.000 1.973 378 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 378 L C 1.794 178.653 176.870 -0.018 0.000 1.073 378 L CA 1.913 56.725 54.840 -0.046 0.000 0.746 378 L CB -0.930 41.099 42.059 -0.051 0.000 0.891 378 L HN 0.223 nan 8.230 nan 0.000 0.433 379 E N 0.337 120.532 120.200 -0.009 0.000 2.055 379 E HA -0.321 4.029 4.350 -0.000 0.000 0.209 379 E C 2.153 178.779 176.600 0.043 0.000 1.036 379 E CA 2.224 58.631 56.400 0.012 0.000 0.849 379 E CB -0.396 29.309 29.700 0.008 0.000 0.767 379 E HN 0.541 nan 8.360 nan 0.000 0.461 380 I N 1.094 121.690 120.570 0.044 0.000 2.065 380 I HA -0.388 3.782 4.170 -0.000 0.000 0.236 380 I C 2.645 178.827 176.117 0.109 0.000 1.028 380 I CA 1.482 62.831 61.300 0.082 0.000 1.299 380 I CB -0.519 37.494 38.000 0.022 0.000 1.015 380 I HN 0.165 nan 8.210 nan 0.000 0.396 381 L N -0.112 121.132 121.223 0.034 0.000 2.051 381 L HA -0.324 4.016 4.340 -0.000 0.000 0.214 381 L C 2.775 179.703 176.870 0.097 0.000 1.076 381 L CA 1.684 56.550 54.840 0.044 0.000 0.758 381 L CB -0.689 41.360 42.059 -0.017 0.000 0.890 381 L HN 0.430 nan 8.230 nan 0.000 0.433 382 Q N -0.201 119.638 119.800 0.064 0.000 2.050 382 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 382 Q C 2.303 178.361 176.000 0.096 0.000 0.980 382 Q CA 1.502 57.341 55.803 0.061 0.000 0.840 382 Q CB -0.186 28.568 28.738 0.027 0.000 0.898 382 Q HN 0.558 nan 8.270 nan 0.000 0.424 383 I N 0.272 120.916 120.570 0.122 0.000 2.399 383 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 383 I C 1.058 177.205 176.117 0.050 0.000 1.146 383 I CA 1.171 62.526 61.300 0.092 0.000 1.412 383 I CB -0.254 37.808 38.000 0.103 0.000 1.076 383 I HN 0.234 nan 8.210 nan 0.000 0.432 384 H N -0.600 118.496 119.070 0.043 0.000 2.519 384 H HA 0.106 4.662 4.556 -0.000 0.000 0.289 384 H C 1.167 176.536 175.328 0.069 0.000 1.040 384 H CA 0.673 56.752 56.048 0.052 0.000 1.165 384 H CB -0.007 29.790 29.762 0.058 0.000 1.462 384 H HN 0.287 nan 8.280 nan 0.000 0.555 385 T N -2.954 111.694 114.554 0.158 0.000 3.209 385 T HA 0.032 4.382 4.350 -0.000 0.000 0.295 385 T C 1.084 175.835 174.700 0.084 0.000 0.977 385 T CA -0.651 61.531 62.100 0.138 0.000 0.922 385 T CB -0.034 68.942 68.868 0.179 0.000 1.152 385 T HN 0.361 nan 8.240 nan 0.000 0.527 386 K N 1.541 121.974 120.400 0.055 0.000 2.668 386 K HA 0.172 4.492 4.320 -0.000 0.000 0.204 386 K C 0.595 177.217 176.600 0.037 0.000 1.016 386 K CA 0.232 56.540 56.287 0.035 0.000 1.131 386 K CB -0.246 32.262 32.500 0.014 0.000 0.891 386 K HN 0.241 nan 8.250 nan 0.000 0.499 387 N N 0.569 119.298 118.700 0.048 0.000 2.209 387 N HA 0.064 4.804 4.740 -0.000 0.000 0.249 387 N C 0.150 175.691 175.510 0.052 0.000 1.146 387 N CA 0.083 53.164 53.050 0.052 0.000 0.800 387 N CB 0.133 38.647 38.487 0.045 0.000 1.521 387 N HN 0.240 nan 8.380 nan 0.000 0.498 388 M N 1.031 120.664 119.600 0.056 0.000 2.211 388 M HA 0.317 4.797 4.480 -0.000 0.000 0.356 388 M C 0.317 176.646 176.300 0.050 0.000 1.216 388 M CA -0.045 55.285 55.300 0.049 0.000 1.134 388 M CB 1.171 33.804 32.600 0.055 0.000 1.564 388 M HN -0.239 nan 8.290 nan 0.000 0.463 389 K N 4.033 124.451 120.400 0.032 0.000 2.054 389 K HA 0.256 4.576 4.320 -0.000 0.000 0.242 389 K C -0.790 175.836 176.600 0.044 0.000 1.157 389 K CA -0.124 56.178 56.287 0.024 0.000 1.079 389 K CB -0.246 32.256 32.500 0.003 0.000 1.331 389 K HN 0.712 nan 8.250 nan 0.000 0.317 390 L N 2.720 123.981 121.223 0.063 0.000 2.461 390 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 390 L C 0.832 177.735 176.870 0.055 0.000 1.197 390 L CA -0.356 54.538 54.840 0.090 0.000 0.836 390 L CB 0.749 42.865 42.059 0.096 0.000 1.105 390 L HN 0.595 nan 8.230 nan 0.000 0.477 391 A N 1.836 124.694 122.820 0.063 0.000 2.296 391 A HA 0.099 4.418 4.320 -0.000 0.000 0.264 391 A C 0.779 178.373 177.584 0.018 0.000 1.097 391 A CA -0.425 51.633 52.037 0.036 0.000 0.811 391 A CB 0.193 19.220 19.000 0.044 0.000 1.072 391 A HN 0.845 nan 8.150 nan 0.000 0.495 392 D N -0.093 120.311 120.400 0.007 0.000 2.312 392 D HA -0.106 4.534 4.640 -0.000 0.000 0.211 392 D C 0.269 176.565 176.300 -0.007 0.000 0.964 392 D CA 1.499 55.497 54.000 -0.003 0.000 0.877 392 D CB 0.016 40.813 40.800 -0.006 0.000 0.924 392 D HN 0.715 nan 8.370 nan 0.000 0.515 393 D N -0.144 120.256 120.400 -0.000 0.000 2.368 393 D HA -0.015 4.625 4.640 -0.000 0.000 0.218 393 D C 0.224 176.517 176.300 -0.012 0.000 1.112 393 D CA -0.199 53.798 54.000 -0.005 0.000 0.834 393 D CB -0.027 40.776 40.800 0.005 0.000 0.953 393 D HN -0.151 nan 8.370 nan 0.000 0.505 394 V N 1.741 121.645 119.914 -0.018 0.000 2.339 394 V HA 0.076 4.196 4.120 -0.000 0.000 0.261 394 V C 0.148 176.178 176.094 -0.107 0.000 1.058 394 V CA -0.501 61.764 62.300 -0.059 0.000 0.897 394 V CB 0.818 32.625 31.823 -0.026 0.000 1.052 394 V HN 0.138 nan 8.190 nan 0.000 0.480 395 D N 5.092 125.416 120.400 -0.126 0.000 2.522 395 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 395 D C 1.232 177.420 176.300 -0.188 0.000 1.149 395 D CA -0.148 53.778 54.000 -0.124 0.000 0.981 395 D CB 0.833 41.578 40.800 -0.091 0.000 1.041 395 D HN 0.446 nan 8.370 nan 0.000 0.518 396 L N 1.821 122.915 121.223 -0.215 0.000 2.089 396 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 396 L C 2.319 179.075 176.870 -0.190 0.000 1.079 396 L CA 1.265 55.946 54.840 -0.265 0.000 0.758 396 L CB -0.218 41.727 42.059 -0.190 0.000 0.891 396 L HN 0.433 nan 8.230 nan 0.000 0.433 397 E N -0.267 119.853 120.200 -0.133 0.000 2.118 397 E HA -0.319 4.031 4.350 -0.000 0.000 0.195 397 E C 2.135 178.667 176.600 -0.114 0.000 0.992 397 E CA 1.373 57.709 56.400 -0.107 0.000 0.804 397 E CB 0.078 29.729 29.700 -0.082 0.000 0.741 397 E HN 0.329 nan 8.360 nan 0.000 0.458 398 Q N 0.380 120.107 119.800 -0.122 0.000 1.993 398 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 398 Q C 2.163 178.087 176.000 -0.128 0.000 0.984 398 Q CA 2.105 57.842 55.803 -0.110 0.000 0.837 398 Q CB -0.615 28.061 28.738 -0.102 0.000 0.902 398 Q HN 0.246 nan 8.270 nan 0.000 0.423 399 V N 1.101 120.908 119.914 -0.178 0.000 2.317 399 V HA -0.367 3.753 4.120 -0.000 0.000 0.251 399 V C 2.326 178.327 176.094 -0.155 0.000 1.065 399 V CA 2.112 64.303 62.300 -0.181 0.000 1.049 399 V CB -1.459 30.184 31.823 -0.300 0.000 0.651 399 V HN 0.544 nan 8.190 nan 0.000 0.450 400 A N 0.093 122.824 122.820 -0.148 0.000 1.933 400 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 400 A C 2.095 179.599 177.584 -0.133 0.000 1.175 400 A CA 2.002 53.959 52.037 -0.132 0.000 0.628 400 A CB -0.598 18.335 19.000 -0.111 0.000 0.814 400 A HN 0.642 nan 8.150 nan 0.000 0.444 401 N N 0.438 119.067 118.700 -0.117 0.000 2.028 401 N HA -0.185 4.555 4.740 -0.000 0.000 0.194 401 N C 1.725 177.182 175.510 -0.089 0.000 1.050 401 N CA 1.845 54.833 53.050 -0.104 0.000 0.848 401 N CB -0.670 37.769 38.487 -0.081 0.000 1.038 401 N HN 0.852 nan 8.380 nan 0.000 0.423 402 E N 0.767 120.922 120.200 -0.076 0.000 2.338 402 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 402 E C 0.004 176.568 176.600 -0.059 0.000 1.007 402 E CA 0.753 57.125 56.400 -0.047 0.000 0.849 402 E CB -0.478 29.198 29.700 -0.040 0.000 0.774 402 E HN 0.231 nan 8.360 nan 0.000 0.506 403 T N -0.759 113.708 114.554 -0.145 0.000 2.992 403 T HA 0.089 4.439 4.350 -0.000 0.000 0.299 403 T C 0.432 175.071 174.700 -0.101 0.000 1.027 403 T CA -0.723 61.208 62.100 -0.281 0.000 1.001 403 T CB 0.822 69.373 68.868 -0.529 0.000 1.005 403 T HN 0.142 nan 8.240 nan 0.000 0.599 404 H N 3.994 123.046 119.070 -0.031 0.000 2.329 404 H HA 0.196 4.752 4.556 -0.000 0.000 0.306 404 H C 1.542 176.908 175.328 0.064 0.000 1.062 404 H CA 1.352 57.408 56.048 0.013 0.000 1.364 404 H CB -0.045 29.726 29.762 0.015 0.000 1.409 404 H HN 0.713 nan 8.280 nan 0.000 0.519 405 G N 1.002 110.022 108.800 0.366 0.000 4.477 405 G HA2 0.279 4.239 3.960 -0.000 0.000 0.319 405 G HA3 0.279 4.239 3.960 -0.000 0.000 0.319 405 G C -1.107 173.939 174.900 0.244 0.000 1.391 405 G CA -0.346 44.910 45.100 0.260 0.000 1.261 405 G HN 0.273 nan 8.290 nan 0.000 0.556 406 H N -0.590 118.492 119.070 0.019 0.000 2.676 406 H HA 0.706 5.262 4.556 -0.000 0.000 0.352 406 H C 0.539 175.862 175.328 -0.008 0.000 1.193 406 H CA -0.619 55.426 56.048 -0.004 0.000 1.243 406 H CB 2.085 31.839 29.762 -0.013 0.000 1.751 406 H HN 0.297 nan 8.280 nan 0.000 0.567 407 V N -1.578 118.391 119.914 0.092 0.000 3.229 407 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 407 V C 1.344 177.460 176.094 0.036 0.000 1.206 407 V CA -0.105 62.223 62.300 0.047 0.000 1.051 407 V CB 1.089 32.922 31.823 0.016 0.000 1.183 407 V HN 0.807 nan 8.190 nan 0.000 0.466 408 G N -0.052 108.759 108.800 0.018 0.000 2.739 408 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 408 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 408 G C 1.592 176.471 174.900 -0.035 0.000 1.298 408 G CA 2.436 47.532 45.100 -0.007 0.000 0.804 408 G HN 1.664 nan 8.290 nan 0.000 0.623 409 A N 1.067 123.880 122.820 -0.011 0.000 1.887 409 A HA -0.335 3.985 4.320 -0.000 0.000 0.225 409 A C 2.090 179.663 177.584 -0.020 0.000 1.464 409 A CA 2.785 54.813 52.037 -0.014 0.000 0.717 409 A CB -1.180 17.818 19.000 -0.002 0.000 0.848 409 A HN 0.440 nan 8.150 nan 0.000 0.477 410 D N -0.379 120.020 120.400 -0.002 0.000 2.157 410 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 410 D C 1.944 178.304 176.300 0.100 0.000 1.004 410 D CA 1.683 55.707 54.000 0.040 0.000 0.854 410 D CB -0.441 40.364 40.800 0.007 0.000 0.936 410 D HN 0.508 nan 8.370 nan 0.000 0.446 411 L N 0.392 121.652 121.223 0.062 0.000 2.093 411 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 411 L C 2.564 179.373 176.870 -0.103 0.000 1.085 411 L CA 0.930 55.766 54.840 -0.006 0.000 0.755 411 L CB -0.295 41.735 42.059 -0.049 0.000 0.904 411 L HN -0.008 nan 8.230 nan 0.000 0.435 412 A N -0.069 122.621 122.820 -0.217 0.000 1.854 412 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 412 A C 2.544 180.086 177.584 -0.069 0.000 1.192 412 A CA 1.352 53.197 52.037 -0.320 0.000 0.611 412 A CB -0.744 18.030 19.000 -0.376 0.000 0.832 412 A HN 0.358 nan 8.150 nan 0.000 0.442 413 A N -0.283 122.519 122.820 -0.030 0.000 1.927 413 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 413 A C 2.145 179.733 177.584 0.006 0.000 1.185 413 A CA 2.028 54.066 52.037 0.002 0.000 0.639 413 A CB -0.766 18.233 19.000 -0.000 0.000 0.820 413 A HN 0.748 nan 8.150 nan 0.000 0.451 414 L N -0.114 121.117 121.223 0.014 0.000 2.012 414 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 414 L C 2.529 179.397 176.870 -0.003 0.000 1.073 414 L CA 2.451 57.308 54.840 0.029 0.000 0.748 414 L CB -0.918 41.192 42.059 0.084 0.000 0.891 414 L HN 0.502 nan 8.230 nan 0.000 0.431 415 C N -1.031 118.288 119.300 0.033 0.000 2.413 415 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 415 C C 2.849 177.809 174.990 -0.050 0.000 1.265 415 C CA 1.041 60.063 59.018 0.007 0.000 1.752 415 C CB -1.347 26.476 27.740 0.138 0.000 1.998 415 C HN 0.664 nan 8.230 nan 0.000 0.489 416 S N 0.604 116.306 115.700 0.004 0.000 2.338 416 S HA -0.140 4.330 4.470 -0.000 0.000 0.218 416 S C 1.774 176.377 174.600 0.006 0.000 1.032 416 S CA 1.081 59.289 58.200 0.012 0.000 0.999 416 S CB -0.338 62.883 63.200 0.034 0.000 0.905 416 S HN 0.593 nan 8.310 nan 0.000 0.439 417 E N 1.943 122.160 120.200 0.027 0.000 2.019 417 E HA -0.211 4.139 4.350 -0.000 0.000 0.208 417 E C 2.472 179.149 176.600 0.129 0.000 1.030 417 E CA 1.439 57.910 56.400 0.118 0.000 0.856 417 E CB -1.099 28.642 29.700 0.068 0.000 0.781 417 E HN 0.425 nan 8.360 nan 0.000 0.471 418 A N 1.635 124.444 122.820 -0.018 0.000 1.929 418 A HA -0.314 4.006 4.320 -0.000 0.000 0.221 418 A C 2.425 179.873 177.584 -0.226 0.000 1.211 418 A CA 3.500 55.408 52.037 -0.215 0.000 0.657 418 A CB -1.025 17.420 19.000 -0.925 0.000 0.827 418 A HN 0.365 nan 8.150 nan 0.000 0.462 419 A N -0.573 122.121 122.820 -0.212 0.000 1.835 419 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 419 A C 2.156 179.691 177.584 -0.081 0.000 1.199 419 A CA 1.553 53.512 52.037 -0.130 0.000 0.615 419 A CB -0.869 18.087 19.000 -0.073 0.000 0.838 419 A HN 0.529 nan 8.150 nan 0.000 0.444 420 L N -0.661 120.537 121.223 -0.041 0.000 2.103 420 L HA -0.341 3.999 4.340 -0.000 0.000 0.215 420 L C 2.873 179.679 176.870 -0.106 0.000 1.080 420 L CA 1.963 56.779 54.840 -0.041 0.000 0.764 420 L CB -0.590 41.472 42.059 0.006 0.000 0.890 420 L HN 0.617 nan 8.230 nan 0.000 0.435 421 Q N 0.170 119.883 119.800 -0.145 0.000 2.014 421 Q HA -0.255 4.085 4.340 -0.000 0.000 0.207 421 Q C 2.203 178.053 176.000 -0.250 0.000 0.993 421 Q CA 2.468 58.063 55.803 -0.348 0.000 0.850 421 Q CB -0.426 28.095 28.738 -0.361 0.000 0.916 421 Q HN 0.436 nan 8.270 nan 0.000 0.417 422 A N 0.559 123.281 122.820 -0.163 0.000 1.870 422 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 422 A C 2.208 179.726 177.584 -0.109 0.000 1.224 422 A CA 2.187 54.154 52.037 -0.117 0.000 0.650 422 A CB -1.293 17.660 19.000 -0.077 0.000 0.836 422 A HN 0.561 nan 8.150 nan 0.000 0.454 423 I N -1.058 119.458 120.570 -0.089 0.000 2.399 423 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 423 I C 2.633 178.699 176.117 -0.085 0.000 1.146 423 I CA 1.668 62.925 61.300 -0.071 0.000 1.412 423 I CB -0.318 37.651 38.000 -0.051 0.000 1.076 423 I HN 0.373 nan 8.210 nan 0.000 0.432 424 R N 0.798 121.223 120.500 -0.124 0.000 2.276 424 R HA -0.058 4.282 4.340 -0.000 0.000 0.196 424 R C 1.911 178.123 176.300 -0.146 0.000 0.961 424 R CA 0.579 56.597 56.100 -0.137 0.000 1.024 424 R CB 0.273 30.457 30.300 -0.193 0.000 0.940 424 R HN 0.338 nan 8.270 nan 0.000 0.480 425 K N 0.360 120.671 120.400 -0.148 0.000 2.312 425 K HA 0.048 4.368 4.320 -0.000 0.000 0.230 425 K C 1.531 178.078 176.600 -0.089 0.000 1.048 425 K CA 0.059 56.267 56.287 -0.132 0.000 0.938 425 K CB 0.174 32.582 32.500 -0.154 0.000 1.139 425 K HN -0.163 nan 8.250 nan 0.000 0.461 426 K N 1.126 121.476 120.400 -0.083 0.000 2.015 426 K HA -0.236 4.084 4.320 -0.000 0.000 0.216 426 K C 2.268 178.838 176.600 -0.050 0.000 1.052 426 K CA 2.432 58.684 56.287 -0.059 0.000 0.937 426 K CB -0.374 32.096 32.500 -0.050 0.000 0.719 426 K HN 0.327 nan 8.250 nan 0.000 0.446 427 M N 1.268 120.837 119.600 -0.050 0.000 2.091 427 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 427 M C 1.123 177.401 176.300 -0.036 0.000 1.076 427 M CA 2.070 57.347 55.300 -0.039 0.000 1.111 427 M CB -0.159 32.419 32.600 -0.037 0.000 1.291 427 M HN 0.000 nan 8.290 nan 0.000 0.417 428 D N 0.713 121.089 120.400 -0.040 0.000 2.149 428 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 428 D C 2.192 178.472 176.300 -0.032 0.000 0.972 428 D CA 0.919 54.898 54.000 -0.033 0.000 0.835 428 D CB -0.436 40.343 40.800 -0.035 0.000 0.966 428 D HN 0.388 nan 8.370 nan 0.000 0.476 429 L N 0.714 121.913 121.223 -0.040 0.000 2.034 429 L HA -0.206 4.134 4.340 -0.000 0.000 0.217 429 L C 1.773 178.625 176.870 -0.029 0.000 1.077 429 L CA 0.936 55.754 54.840 -0.036 0.000 0.769 429 L CB -0.380 41.652 42.059 -0.044 0.000 0.890 429 L HN 0.123 nan 8.230 nan 0.000 0.435 430 I N -0.132 120.421 120.570 -0.029 0.000 3.369 430 I HA -0.183 3.987 4.170 -0.000 0.000 0.288 430 I C 1.830 177.936 176.117 -0.020 0.000 1.321 430 I CA 0.723 62.009 61.300 -0.023 0.000 1.358 430 I CB -1.474 36.511 38.000 -0.024 0.000 1.038 430 I HN 0.251 nan 8.210 nan 0.000 0.516 431 D N 1.152 121.540 120.400 -0.020 0.000 2.322 431 D HA -0.200 4.440 4.640 -0.000 0.000 0.210 431 D C 2.175 178.467 176.300 -0.013 0.000 0.983 431 D CA 0.931 54.922 54.000 -0.016 0.000 0.902 431 D CB 0.135 40.925 40.800 -0.017 0.000 0.905 431 D HN 0.352 nan 8.370 nan 0.000 0.483 432 L N 0.186 121.401 121.223 -0.014 0.000 2.056 432 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 432 L C 2.404 179.268 176.870 -0.010 0.000 1.078 432 L CA 1.009 55.842 54.840 -0.012 0.000 0.749 432 L CB -0.347 41.705 42.059 -0.013 0.000 0.901 432 L HN 0.065 nan 8.230 nan 0.000 0.433 433 E N -0.371 119.823 120.200 -0.011 0.000 2.001 433 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 433 E C 0.195 176.790 176.600 -0.007 0.000 1.002 433 E CA 0.954 57.349 56.400 -0.009 0.000 0.819 433 E CB 0.160 29.855 29.700 -0.010 0.000 0.769 433 E HN 0.455 nan 8.360 nan 0.000 0.454 434 D N -1.386 119.010 120.400 -0.008 0.000 2.992 434 D HA -0.020 4.620 4.640 -0.000 0.000 0.349 434 D C -1.286 175.010 176.300 -0.007 0.000 1.393 434 D CA -0.329 53.668 54.000 -0.006 0.000 0.887 434 D CB 0.783 41.581 40.800 -0.004 0.000 1.447 434 D HN 0.108 nan 8.370 nan 0.000 0.524 435 E N 0.231 120.428 120.200 -0.005 0.000 1.964 435 E HA 0.285 4.635 4.350 -0.000 0.000 0.264 435 E C -0.429 176.169 176.600 -0.002 0.000 1.120 435 E CA -0.472 55.925 56.400 -0.005 0.000 1.061 435 E CB -0.298 29.399 29.700 -0.004 0.000 1.190 435 E HN 0.205 nan 8.360 nan 0.000 0.459 436 T N 1.281 115.833 114.554 -0.003 0.000 3.414 436 T HA 0.289 4.639 4.350 -0.000 0.000 0.304 436 T C 0.416 175.116 174.700 0.001 0.000 1.241 436 T CA -0.597 61.503 62.100 0.000 0.000 1.076 436 T CB -0.598 68.269 68.868 -0.001 0.000 1.134 436 T HN 0.412 nan 8.240 nan 0.000 0.759 437 I N 5.108 125.680 120.570 0.004 0.000 2.293 437 I HA 0.252 4.422 4.170 -0.000 0.000 0.299 437 I C 0.572 176.698 176.117 0.015 0.000 1.153 437 I CA -0.156 61.148 61.300 0.006 0.000 1.302 437 I CB -0.257 37.747 38.000 0.007 0.000 1.460 437 I HN 0.724 nan 8.210 nan 0.000 0.552 438 D N 4.717 125.126 120.400 0.015 0.000 2.744 438 D HA 0.407 5.047 4.640 -0.000 0.000 0.304 438 D C 0.438 176.754 176.300 0.026 0.000 1.179 438 D CA -0.530 53.485 54.000 0.026 0.000 1.024 438 D CB 1.632 42.444 40.800 0.021 0.000 1.453 438 D HN 0.240 nan 8.370 nan 0.000 0.529 439 A N 0.399 123.241 122.820 0.036 0.000 1.825 439 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 439 A C 1.975 179.530 177.584 -0.048 0.000 1.206 439 A CA 2.005 54.052 52.037 0.016 0.000 0.609 439 A CB -1.173 17.858 19.000 0.051 0.000 0.851 439 A HN 0.794 nan 8.150 nan 0.000 0.445 440 E N -0.302 119.867 120.200 -0.052 0.000 2.208 440 E HA -0.211 4.139 4.350 -0.000 0.000 0.202 440 E C 1.818 178.385 176.600 -0.054 0.000 1.014 440 E CA 1.624 57.984 56.400 -0.068 0.000 0.819 440 E CB -0.223 29.449 29.700 -0.045 0.000 0.735 440 E HN 0.366 nan 8.360 nan 0.000 0.469 441 V N 0.583 120.477 119.914 -0.034 0.000 2.229 441 V HA -0.294 3.826 4.120 -0.000 0.000 0.243 441 V C 2.455 178.531 176.094 -0.031 0.000 1.042 441 V CA 1.832 64.115 62.300 -0.027 0.000 1.000 441 V CB -0.471 31.342 31.823 -0.016 0.000 0.637 441 V HN 0.378 nan 8.190 nan 0.000 0.446 442 M N 0.347 119.933 119.600 -0.024 0.000 2.149 442 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 442 M C 2.118 178.396 176.300 -0.036 0.000 1.064 442 M CA 1.762 57.050 55.300 -0.019 0.000 1.102 442 M CB -1.886 30.715 32.600 0.002 0.000 1.369 442 M HN 0.500 nan 8.290 nan 0.000 0.408 443 N N 1.062 119.720 118.700 -0.069 0.000 2.018 443 N HA -0.152 4.588 4.740 -0.000 0.000 0.196 443 N C 1.581 177.049 175.510 -0.070 0.000 1.043 443 N CA 2.540 55.528 53.050 -0.105 0.000 0.856 443 N CB -0.248 38.133 38.487 -0.176 0.000 1.042 443 N HN 0.437 nan 8.380 nan 0.000 0.423 444 S N -0.114 115.550 115.700 -0.060 0.000 2.562 444 S HA 0.048 4.518 4.470 -0.000 0.000 0.221 444 S C 0.927 175.508 174.600 -0.031 0.000 0.975 444 S CA -0.332 57.841 58.200 -0.045 0.000 0.918 444 S CB -0.338 62.836 63.200 -0.043 0.000 0.772 444 S HN 0.357 nan 8.310 nan 0.000 0.531 445 L N 2.952 124.157 121.223 -0.029 0.000 2.530 445 L HA 0.466 4.806 4.340 -0.000 0.000 0.273 445 L C 0.166 177.027 176.870 -0.015 0.000 1.141 445 L CA 0.043 54.869 54.840 -0.024 0.000 0.905 445 L CB -0.160 41.885 42.059 -0.024 0.000 1.202 445 L HN 0.361 nan 8.230 nan 0.000 0.473 446 A N 5.407 128.220 122.820 -0.011 0.000 2.295 446 A HA 0.621 4.941 4.320 -0.000 0.000 0.318 446 A C -0.596 176.993 177.584 0.008 0.000 1.134 446 A CA -0.527 51.512 52.037 0.004 0.000 0.827 446 A CB 1.528 20.532 19.000 0.007 0.000 1.136 446 A HN 0.539 nan 8.150 nan 0.000 0.493 447 V N 2.614 122.549 119.914 0.036 0.000 2.304 447 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 447 V C 0.722 176.887 176.094 0.118 0.000 1.018 447 V CA -0.034 62.293 62.300 0.044 0.000 0.814 447 V CB 0.872 32.712 31.823 0.029 0.000 1.021 447 V HN 1.140 nan 8.190 nan 0.000 0.440 448 T N 2.052 116.662 114.554 0.095 0.000 2.816 448 T HA 0.281 4.631 4.350 -0.000 0.000 0.282 448 T C 0.923 175.749 174.700 0.210 0.000 0.993 448 T CA -0.484 61.687 62.100 0.119 0.000 0.994 448 T CB 0.779 69.687 68.868 0.066 0.000 1.025 448 T HN 0.392 nan 8.240 nan 0.000 0.529 449 M N 0.528 120.225 119.600 0.162 0.000 2.748 449 M HA 0.123 4.603 4.480 -0.000 0.000 0.241 449 M C 1.046 177.451 176.300 0.176 0.000 1.080 449 M CA 0.871 56.273 55.300 0.170 0.000 1.068 449 M CB -1.306 31.328 32.600 0.057 0.000 1.536 449 M HN 0.817 nan 8.290 nan 0.000 0.540 450 D N -1.043 119.450 120.400 0.155 0.000 2.392 450 D HA -0.028 4.612 4.640 -0.000 0.000 0.206 450 D C 1.184 177.586 176.300 0.170 0.000 1.046 450 D CA 0.621 54.701 54.000 0.134 0.000 0.865 450 D CB 0.314 41.161 40.800 0.079 0.000 0.969 450 D HN 0.303 nan 8.370 nan 0.000 0.509 451 D N -0.533 119.964 120.400 0.162 0.000 2.194 451 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 451 D C 1.373 177.763 176.300 0.150 0.000 0.964 451 D CA 0.603 54.666 54.000 0.105 0.000 0.846 451 D CB -0.018 40.766 40.800 -0.028 0.000 0.962 451 D HN 0.317 nan 8.370 nan 0.000 0.490 452 F N 0.829 120.851 119.950 0.120 0.000 2.293 452 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 452 F C 2.438 178.289 175.800 0.086 0.000 1.089 452 F CA 0.226 58.282 58.000 0.094 0.000 1.377 452 F CB 0.036 39.062 39.000 0.043 0.000 1.051 452 F HN -0.203 nan 8.300 nan 0.000 0.511 453 R N -0.168 120.502 120.500 0.283 0.000 2.105 453 R HA -0.236 4.104 4.340 -0.000 0.000 0.239 453 R C 1.942 178.344 176.300 0.170 0.000 1.135 453 R CA 1.745 57.952 56.100 0.178 0.000 0.967 453 R CB -1.139 29.249 30.300 0.147 0.000 0.861 453 R HN 0.454 nan 8.270 nan 0.000 0.442 454 W N 0.164 121.487 121.300 0.039 0.000 2.409 454 W HA 0.077 4.737 4.660 -0.000 0.000 0.299 454 W C 1.936 178.458 176.519 0.005 0.000 1.203 454 W CA 1.819 59.170 57.345 0.011 0.000 1.298 454 W CB -0.553 28.902 29.460 -0.008 0.000 1.127 454 W HN 0.150 nan 8.180 nan 0.000 0.528 455 A N 0.440 123.291 122.820 0.052 0.000 1.902 455 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 455 A C 2.087 179.541 177.584 -0.216 0.000 1.181 455 A CA 1.803 53.723 52.037 -0.196 0.000 0.623 455 A CB -1.032 17.974 19.000 0.010 0.000 0.818 455 A HN 0.416 nan 8.150 nan 0.000 0.443 456 L N -0.445 120.738 121.223 -0.065 0.000 2.056 456 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 456 L C 1.258 178.069 176.870 -0.099 0.000 1.078 456 L CA 1.019 55.834 54.840 -0.042 0.000 0.749 456 L CB -0.141 41.931 42.059 0.021 0.000 0.901 456 L HN 0.201 nan 8.230 nan 0.000 0.433 457 S N -0.137 115.482 115.700 -0.134 0.000 3.811 457 S HA 0.110 4.580 4.470 -0.000 0.000 0.205 457 S C 0.049 174.498 174.600 -0.252 0.000 1.445 457 S CA -0.049 58.067 58.200 -0.139 0.000 1.097 457 S CB -0.091 63.061 63.200 -0.080 0.000 1.350 457 S HN 0.225 nan 8.310 nan 0.000 0.471 458 Q N 0.086 119.723 119.800 -0.272 0.000 3.304 458 Q HA 0.499 4.839 4.340 -0.000 0.000 0.269 458 Q C 0.291 176.180 176.000 -0.185 0.000 1.025 458 Q CA -0.579 55.030 55.803 -0.322 0.000 0.836 458 Q CB 0.609 29.054 28.738 -0.488 0.000 1.831 458 Q HN 0.125 nan 8.270 nan 0.000 0.455 459 S N 0.704 116.302 115.700 -0.169 0.000 2.583 459 S HA 0.112 4.582 4.470 -0.000 0.000 0.239 459 S C 0.286 174.828 174.600 -0.097 0.000 0.966 459 S CA 0.024 58.158 58.200 -0.109 0.000 0.973 459 S CB -0.359 62.789 63.200 -0.087 0.000 0.794 459 S HN 0.565 nan 8.310 nan 0.000 0.463 460 N N 1.266 119.903 118.700 -0.104 0.000 2.317 460 N HA 0.055 4.795 4.740 -0.000 0.000 0.199 460 N C -1.474 174.003 175.510 -0.055 0.000 1.145 460 N CA -0.013 52.989 53.050 -0.080 0.000 0.882 460 N CB -1.111 37.331 38.487 -0.075 0.000 1.113 460 N HN 0.216 nan 8.380 nan 0.000 0.486 461 P HA -0.063 nan 4.420 nan 0.000 0.223 461 P C 0.079 177.355 177.300 -0.040 0.000 1.144 461 P CA 0.846 63.998 63.100 0.086 0.000 0.783 461 P CB -0.398 31.342 31.700 0.067 0.000 0.771 462 S N -0.262 115.385 115.700 -0.089 0.000 3.355 462 S HA 0.422 4.892 4.470 -0.000 0.000 0.293 462 S C 0.624 175.107 174.600 -0.195 0.000 1.197 462 S CA -0.709 57.421 58.200 -0.116 0.000 1.117 462 S CB -0.714 62.432 63.200 -0.091 0.000 1.587 462 S HN 0.261 nan 8.310 nan 0.000 0.536 463 A N 3.927 126.560 122.820 -0.312 0.000 2.340 463 A HA 0.538 4.858 4.320 -0.000 0.000 0.268 463 A C 0.458 177.916 177.584 -0.211 0.000 1.100 463 A CA -0.858 50.946 52.037 -0.388 0.000 0.803 463 A CB 0.211 18.760 19.000 -0.752 0.000 1.043 463 A HN 0.865 nan 8.150 nan 0.000 0.488 464 L N 3.141 124.264 121.223 -0.166 0.000 2.536 464 L HA 0.151 4.491 4.340 -0.000 0.000 0.282 464 L C 1.190 177.992 176.870 -0.113 0.000 1.174 464 L CA -0.024 54.743 54.840 -0.121 0.000 0.989 464 L CB -0.494 41.511 42.059 -0.089 0.000 1.311 464 L HN 0.805 nan 8.230 nan 0.000 0.455 465 R N 3.207 123.633 120.500 -0.124 0.000 2.726 465 R HA 0.325 4.665 4.340 -0.000 0.000 0.272 465 R C -0.040 176.160 176.300 -0.166 0.000 1.097 465 R CA 0.044 56.072 56.100 -0.119 0.000 1.198 465 R CB 1.000 31.226 30.300 -0.123 0.000 1.114 465 R HN 0.706 nan 8.270 nan 0.000 0.550 466 E N -0.748 119.355 120.200 -0.162 0.000 2.238 466 E HA 0.065 4.415 4.350 -0.000 0.000 0.252 466 E C -1.526 174.996 176.600 -0.130 0.000 1.317 466 E CA -0.593 55.664 56.400 -0.238 0.000 0.921 466 E CB 1.141 30.748 29.700 -0.155 0.000 1.626 466 E HN 0.679 nan 8.360 nan 0.000 0.488 467 T N 0.126 114.655 114.554 -0.042 0.000 2.779 467 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 467 T C 0.209 174.937 174.700 0.046 0.000 0.938 467 T CA -0.629 61.520 62.100 0.082 0.000 1.119 467 T CB 0.290 69.319 68.868 0.269 0.000 0.891 467 T HN 0.235 nan 8.240 nan 0.000 0.526 468 V N 3.340 123.276 119.914 0.037 0.000 2.837 468 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 468 V C 0.241 176.355 176.094 0.033 0.000 1.059 468 V CA -0.988 61.342 62.300 0.050 0.000 1.004 468 V CB 1.830 33.713 31.823 0.100 0.000 1.045 468 V HN 0.799 nan 8.190 nan 0.000 0.465 469 V N 2.514 122.450 119.914 0.037 0.000 2.350 469 V HA 0.458 4.578 4.120 -0.000 0.000 0.285 469 V C -0.109 176.014 176.094 0.047 0.000 1.014 469 V CA -0.157 62.161 62.300 0.031 0.000 0.831 469 V CB 1.167 33.003 31.823 0.022 0.000 1.000 469 V HN 1.003 nan 8.190 nan 0.000 0.433 470 E N 3.068 123.311 120.200 0.072 0.000 2.355 470 E HA 0.666 5.016 4.350 -0.000 0.000 0.261 470 E C -1.482 175.157 176.600 0.065 0.000 0.943 470 E CA -0.762 55.674 56.400 0.061 0.000 0.806 470 E CB 2.597 32.342 29.700 0.074 0.000 1.286 470 E HN 0.352 nan 8.360 nan 0.000 0.424 471 V N 3.739 123.670 119.914 0.029 0.000 2.304 471 V HA 0.259 4.379 4.120 -0.000 0.000 0.269 471 V C -2.243 173.842 176.094 -0.015 0.000 1.036 471 V CA -1.667 60.639 62.300 0.010 0.000 0.840 471 V CB 0.553 32.369 31.823 -0.012 0.000 1.036 471 V HN 0.663 nan 8.190 nan 0.000 0.466 472 P HA -0.120 nan 4.420 nan 0.000 0.262 472 P C 0.627 177.860 177.300 -0.111 0.000 1.151 472 P CA 0.571 63.613 63.100 -0.097 0.000 0.757 472 P CB 0.456 32.048 31.700 -0.179 0.000 0.754 473 Q N 3.048 122.781 119.800 -0.111 0.000 2.390 473 Q HA 0.050 4.390 4.340 -0.000 0.000 0.216 473 Q C 0.663 176.583 176.000 -0.134 0.000 0.916 473 Q CA 0.561 56.302 55.803 -0.103 0.000 0.911 473 Q CB -0.541 28.152 28.738 -0.074 0.000 1.035 473 Q HN 0.337 nan 8.270 nan 0.000 0.541 474 V N 4.145 123.963 119.914 -0.161 0.000 2.585 474 V HA 0.119 4.239 4.120 -0.000 0.000 0.296 474 V C 0.602 176.533 176.094 -0.272 0.000 1.035 474 V CA 0.900 63.089 62.300 -0.185 0.000 1.084 474 V CB 0.830 32.540 31.823 -0.188 0.000 0.953 474 V HN 0.708 nan 8.190 nan 0.000 0.483 475 T N 3.154 117.563 114.554 -0.241 0.000 3.210 475 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 475 T C 0.575 175.062 174.700 -0.356 0.000 1.229 475 T CA 0.210 62.104 62.100 -0.344 0.000 0.920 475 T CB 0.277 69.045 68.868 -0.166 0.000 2.279 475 T HN 0.641 nan 8.240 nan 0.000 0.552 476 W N 1.038 122.292 121.300 -0.077 0.000 3.290 476 W HA 0.370 5.030 4.660 -0.000 0.000 0.287 476 W C 2.270 178.751 176.519 -0.063 0.000 1.288 476 W CA -0.562 56.738 57.345 -0.075 0.000 1.725 476 W CB 0.063 29.486 29.460 -0.063 0.000 1.103 476 W HN 0.697 nan 8.180 nan 0.000 0.670 477 E N 0.478 120.752 120.200 0.123 0.000 2.208 477 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 477 E C 0.238 176.858 176.600 0.034 0.000 0.988 477 E CA 0.972 57.411 56.400 0.065 0.000 0.828 477 E CB -0.093 29.622 29.700 0.026 0.000 0.763 477 E HN 0.256 nan 8.360 nan 0.000 0.478 478 D N 0.063 120.469 120.400 0.009 0.000 2.434 478 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 478 D C -0.606 175.694 176.300 -0.000 0.000 1.166 478 D CA 0.294 54.288 54.000 -0.011 0.000 0.830 478 D CB 0.222 40.994 40.800 -0.046 0.000 0.960 478 D HN 0.032 nan 8.370 nan 0.000 0.497 479 I N 0.410 121.004 120.570 0.040 0.000 2.586 479 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 479 I C 0.152 176.295 176.117 0.043 0.000 1.145 479 I CA -0.751 60.575 61.300 0.044 0.000 1.073 479 I CB 2.056 40.108 38.000 0.087 0.000 1.238 479 I HN -0.093 nan 8.210 nan 0.000 0.461 480 G N 3.359 112.168 108.800 0.014 0.000 2.410 480 G HA2 0.725 4.685 3.960 -0.000 0.000 0.330 480 G HA3 0.725 4.685 3.960 -0.000 0.000 0.330 480 G C 0.033 174.928 174.900 -0.009 0.000 1.142 480 G CA -0.213 44.888 45.100 0.003 0.000 0.902 480 G HN 0.995 nan 8.290 nan 0.000 0.491 481 G N -0.743 108.046 108.800 -0.018 0.000 2.819 481 G HA2 0.140 4.100 3.960 -0.000 0.000 0.682 481 G HA3 0.140 4.100 3.960 -0.000 0.000 0.682 481 G C 0.411 175.293 174.900 -0.030 0.000 1.481 481 G CA -0.228 44.858 45.100 -0.023 0.000 0.904 481 G HN 1.862 nan 8.290 nan 0.000 0.563 482 L N -1.257 119.948 121.223 -0.030 0.000 3.717 482 L HA -0.176 4.164 4.340 -0.000 0.000 0.411 482 L C 1.707 178.550 176.870 -0.045 0.000 1.233 482 L CA 1.256 56.078 54.840 -0.030 0.000 0.917 482 L CB -0.773 41.268 42.059 -0.030 0.000 1.902 482 L HN 0.848 nan 8.230 nan 0.000 0.894 483 E N 0.099 120.260 120.200 -0.065 0.000 2.461 483 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 483 E C 1.319 177.858 176.600 -0.100 0.000 1.129 483 E CA 0.638 56.969 56.400 -0.114 0.000 0.902 483 E CB -0.016 29.612 29.700 -0.120 0.000 0.963 483 E HN 0.709 nan 8.360 nan 0.000 0.503 484 D N 0.655 121.023 120.400 -0.053 0.000 2.149 484 D HA -0.134 4.505 4.640 -0.000 0.000 0.206 484 D C 2.068 178.359 176.300 -0.015 0.000 0.967 484 D CA 1.190 55.174 54.000 -0.027 0.000 0.848 484 D CB -0.375 40.427 40.800 0.003 0.000 0.998 484 D HN 0.234 nan 8.370 nan 0.000 0.474 485 V N -0.905 119.014 119.914 0.009 0.000 2.591 485 V HA -0.056 4.064 4.120 -0.000 0.000 0.249 485 V C 2.473 178.572 176.094 0.008 0.000 1.053 485 V CA 0.907 63.245 62.300 0.063 0.000 1.068 485 V CB -0.868 31.047 31.823 0.153 0.000 0.689 485 V HN -0.068 nan 8.190 nan 0.000 0.462 486 K N 0.615 120.943 120.400 -0.121 0.000 2.059 486 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 486 K C 2.361 178.746 176.600 -0.358 0.000 1.050 486 K CA 2.254 58.299 56.287 -0.403 0.000 0.927 486 K CB -0.257 31.880 32.500 -0.605 0.000 0.714 486 K HN 0.444 nan 8.250 nan 0.000 0.447 487 R N 0.721 121.097 120.500 -0.207 0.000 2.335 487 R HA -0.036 4.304 4.340 -0.000 0.000 0.223 487 R C 1.477 177.777 176.300 -0.000 0.000 0.940 487 R CA 0.343 56.376 56.100 -0.112 0.000 1.086 487 R CB 0.260 30.505 30.300 -0.092 0.000 1.073 487 R HN 0.249 nan 8.270 nan 0.000 0.504 488 E N -0.140 120.076 120.200 0.026 0.000 2.134 488 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 488 E C 1.604 178.291 176.600 0.145 0.000 0.937 488 E CA 0.053 56.504 56.400 0.085 0.000 0.874 488 E CB 0.073 29.823 29.700 0.084 0.000 0.853 488 E HN 0.258 nan 8.360 nan 0.000 0.471 489 L N 1.302 122.627 121.223 0.170 0.000 2.042 489 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 489 L C 2.520 179.492 176.870 0.171 0.000 1.076 489 L CA 1.420 56.374 54.840 0.190 0.000 0.749 489 L CB -0.534 41.664 42.059 0.232 0.000 0.893 489 L HN 0.227 nan 8.230 nan 0.000 0.432 490 Q N -0.018 119.895 119.800 0.189 0.000 2.449 490 Q HA -0.223 4.117 4.340 -0.000 0.000 0.214 490 Q C 1.599 177.796 176.000 0.329 0.000 0.986 490 Q CA 1.193 57.103 55.803 0.178 0.000 0.893 490 Q CB -0.126 28.689 28.738 0.129 0.000 0.940 490 Q HN 0.637 nan 8.270 nan 0.000 0.477 491 E N -0.303 120.150 120.200 0.422 0.000 2.415 491 E HA 0.044 4.394 4.350 -0.000 0.000 0.197 491 E C 1.301 178.204 176.600 0.504 0.000 1.007 491 E CA 0.177 56.931 56.400 0.590 0.000 0.890 491 E CB 0.415 30.253 29.700 0.229 0.000 0.891 491 E HN 0.308 nan 8.360 nan 0.000 0.496 492 L N 0.654 122.077 121.223 0.334 0.000 2.640 492 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 492 L C 1.601 178.566 176.870 0.158 0.000 1.123 492 L CA 0.049 55.053 54.840 0.274 0.000 0.900 492 L CB 0.549 42.764 42.059 0.260 0.000 1.146 492 L HN 0.075 nan 8.230 nan 0.000 0.484 493 V N -6.398 113.597 119.914 0.134 0.000 3.359 493 V HA 0.121 4.240 4.120 -0.000 0.000 0.204 493 V C 1.692 177.817 176.094 0.052 0.000 1.410 493 V CA -0.336 61.969 62.300 0.008 0.000 1.303 493 V CB -0.038 31.656 31.823 -0.216 0.000 1.198 493 V HN -0.016 nan 8.190 nan 0.000 0.531 494 Q N -0.296 119.516 119.800 0.020 0.000 2.561 494 Q HA -0.010 4.330 4.340 -0.000 0.000 0.217 494 Q C 1.508 177.382 176.000 -0.211 0.000 0.980 494 Q CA 1.684 57.410 55.803 -0.130 0.000 0.927 494 Q CB -0.103 28.502 28.738 -0.221 0.000 0.980 494 Q HN 0.921 nan 8.270 nan 0.000 0.525 495 Y N -1.098 119.377 120.300 0.292 0.000 2.589 495 Y HA 0.102 4.652 4.550 -0.000 0.000 0.271 495 Y C -0.987 175.250 175.900 0.561 0.000 1.107 495 Y CA -0.151 58.228 58.100 0.465 0.000 1.273 495 Y CB -0.146 38.567 38.460 0.422 0.000 1.266 495 Y HN 0.091 nan 8.280 nan 0.000 0.504 496 P HA 0.057 nan 4.420 nan 0.000 0.255 496 P C 1.110 178.491 177.300 0.136 0.000 1.248 496 P CA 0.803 64.056 63.100 0.255 0.000 0.807 496 P CB 1.040 32.549 31.700 -0.317 0.000 1.150 497 V N -0.378 119.604 119.914 0.115 0.000 3.212 497 V HA 0.143 4.263 4.120 -0.000 0.000 0.244 497 V C 1.866 177.963 176.094 0.004 0.000 1.151 497 V CA 1.171 63.496 62.300 0.041 0.000 1.119 497 V CB 0.031 31.857 31.823 0.006 0.000 0.838 497 V HN -0.096 nan 8.190 nan 0.000 0.470 498 E N -1.235 118.938 120.200 -0.045 0.000 2.290 498 E HA 0.148 4.498 4.350 -0.000 0.000 0.197 498 E C 0.069 176.511 176.600 -0.264 0.000 0.948 498 E CA 0.073 56.349 56.400 -0.206 0.000 0.895 498 E CB 0.298 29.777 29.700 -0.369 0.000 0.865 498 E HN 0.567 nan 8.360 nan 0.000 0.486 499 H N 1.285 120.452 119.070 0.162 0.000 2.486 499 H HA 0.144 4.700 4.556 -0.000 0.000 0.239 499 H C -1.801 173.684 175.328 0.261 0.000 1.480 499 H CA -1.838 54.330 56.048 0.199 0.000 1.324 499 H CB 0.878 30.792 29.762 0.253 0.000 1.486 499 H HN 0.151 nan 8.280 nan 0.000 0.544 500 P HA -0.121 nan 4.420 nan 0.000 0.217 500 P C 1.019 178.462 177.300 0.237 0.000 1.154 500 P CA 0.996 64.238 63.100 0.237 0.000 0.841 500 P CB 0.549 32.331 31.700 0.137 0.000 0.788 501 D N 0.594 121.101 120.400 0.178 0.000 2.224 501 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 501 D C 1.594 177.949 176.300 0.092 0.000 0.965 501 D CA 1.063 55.134 54.000 0.118 0.000 0.852 501 D CB -0.954 39.890 40.800 0.074 0.000 0.947 501 D HN 0.051 nan 8.370 nan 0.000 0.494 502 K N -1.003 119.468 120.400 0.119 0.000 2.574 502 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 502 K C 0.491 177.074 176.600 -0.028 0.000 1.035 502 K CA 0.278 56.563 56.287 -0.002 0.000 0.982 502 K CB -0.346 32.153 32.500 -0.003 0.000 0.795 502 K HN 0.147 nan 8.250 nan 0.000 0.491 503 F N -1.025 119.006 119.950 0.134 0.000 2.639 503 F HA 0.206 4.733 4.527 -0.000 0.000 0.302 503 F C 0.364 176.235 175.800 0.118 0.000 1.097 503 F CA -0.092 58.016 58.000 0.179 0.000 1.294 503 F CB 0.664 39.768 39.000 0.173 0.000 1.027 503 F HN -0.141 nan 8.300 nan 0.000 0.550 504 L N -0.770 120.557 121.223 0.173 0.000 3.184 504 L HA 0.237 4.577 4.340 -0.000 0.000 0.283 504 L C 1.173 178.026 176.870 -0.028 0.000 1.218 504 L CA 0.342 55.240 54.840 0.096 0.000 1.028 504 L CB 0.109 42.216 42.059 0.080 0.000 1.400 504 L HN -0.153 nan 8.230 nan 0.000 0.591 505 K N -1.423 118.865 120.400 -0.186 0.000 2.373 505 K HA 0.284 4.604 4.320 -0.000 0.000 0.202 505 K C 0.484 176.724 176.600 -0.600 0.000 1.025 505 K CA 0.316 56.350 56.287 -0.422 0.000 1.115 505 K CB 0.508 32.643 32.500 -0.608 0.000 0.858 505 K HN 0.093 nan 8.250 nan 0.000 0.525 506 F N -1.236 118.717 119.950 0.004 0.000 2.729 506 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 506 F C 1.599 177.417 175.800 0.029 0.000 1.008 506 F CA 0.374 58.374 58.000 0.000 0.000 1.188 506 F CB 0.958 39.943 39.000 -0.025 0.000 0.980 506 F HN 0.114 nan 8.300 nan 0.000 0.627 507 G N 0.957 109.890 108.800 0.222 0.000 2.493 507 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 507 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 507 G C 0.551 175.549 174.900 0.164 0.000 1.109 507 G CA -0.119 45.073 45.100 0.154 0.000 0.689 507 G HN 0.251 nan 8.290 nan 0.000 0.516 508 M N 2.146 121.861 119.600 0.192 0.000 2.250 508 M HA 0.554 5.034 4.480 -0.000 0.000 0.325 508 M C 0.475 176.898 176.300 0.205 0.000 1.084 508 M CA 0.823 56.223 55.300 0.167 0.000 1.161 508 M CB 0.387 33.075 32.600 0.147 0.000 1.481 508 M HN 0.629 nan 8.290 nan 0.000 0.449 509 T N -0.036 114.599 114.554 0.134 0.000 2.855 509 T HA 0.721 5.071 4.350 -0.000 0.000 0.281 509 T C -2.386 172.341 174.700 0.045 0.000 1.007 509 T CA -1.519 60.633 62.100 0.087 0.000 1.009 509 T CB 0.865 69.762 68.868 0.049 0.000 0.983 509 T HN 0.616 nan 8.240 nan 0.000 0.455 510 P HA 0.184 nan 4.420 nan 0.000 0.269 510 P C -0.116 177.192 177.300 0.012 0.000 1.211 510 P CA -0.340 62.703 63.100 -0.095 0.000 0.781 510 P CB 0.262 31.793 31.700 -0.282 0.000 0.877 511 S N 0.648 116.391 115.700 0.071 0.000 2.565 511 S HA 0.190 4.660 4.470 -0.000 0.000 0.276 511 S C 0.698 175.331 174.600 0.055 0.000 1.326 511 S CA -0.484 57.758 58.200 0.069 0.000 1.045 511 S CB 1.104 64.364 63.200 0.099 0.000 0.918 511 S HN 0.317 nan 8.310 nan 0.000 0.505 512 K N 1.660 122.048 120.400 -0.019 0.000 2.305 512 K HA 0.241 4.561 4.320 -0.000 0.000 0.199 512 K C 1.006 177.465 176.600 -0.237 0.000 1.047 512 K CA 0.580 56.829 56.287 -0.063 0.000 0.976 512 K CB 0.034 32.505 32.500 -0.049 0.000 0.765 512 K HN 0.813 nan 8.250 nan 0.000 0.474 513 G N -0.294 108.338 108.800 -0.282 0.000 2.606 513 G HA2 0.527 4.487 3.960 -0.000 0.000 0.300 513 G HA3 0.527 4.487 3.960 -0.000 0.000 0.300 513 G C -1.605 173.114 174.900 -0.302 0.000 1.360 513 G CA -0.569 44.254 45.100 -0.462 0.000 0.783 513 G HN -0.117 nan 8.290 nan 0.000 0.484 514 V N -0.551 119.218 119.914 -0.242 0.000 3.232 514 V HA 0.718 4.838 4.120 -0.000 0.000 0.303 514 V C -1.142 174.873 176.094 -0.131 0.000 1.311 514 V CA -0.740 61.482 62.300 -0.131 0.000 1.061 514 V CB 2.239 34.063 31.823 0.002 0.000 1.085 514 V HN 0.846 nan 8.190 nan 0.000 0.447 515 L N 1.393 122.441 121.223 -0.292 0.000 2.431 515 L HA 0.700 5.040 4.340 -0.000 0.000 0.266 515 L C -2.054 174.503 176.870 -0.521 0.000 0.978 515 L CA -0.341 54.382 54.840 -0.195 0.000 0.822 515 L CB 2.139 44.183 42.059 -0.024 0.000 1.310 515 L HN 0.627 nan 8.230 nan 0.000 0.409 516 F N 4.622 124.593 119.950 0.036 0.000 2.430 516 F HA 0.414 4.941 4.527 -0.000 0.000 0.362 516 F C -0.442 175.374 175.800 0.027 0.000 1.103 516 F CA -0.631 57.333 58.000 -0.060 0.000 1.045 516 F CB 0.929 39.966 39.000 0.062 0.000 1.276 516 F HN 0.259 nan 8.300 nan 0.000 0.444 517 Y N 0.487 120.980 120.300 0.322 0.000 2.567 517 Y HA 1.010 5.560 4.550 -0.000 0.000 0.333 517 Y C 0.248 176.380 175.900 0.387 0.000 1.106 517 Y CA -2.070 56.187 58.100 0.261 0.000 1.157 517 Y CB 1.287 39.826 38.460 0.132 0.000 1.277 517 Y HN 0.768 nan 8.280 nan 0.000 0.490 518 G N 0.036 109.162 108.800 0.544 0.000 2.340 518 G HA2 0.236 4.196 3.960 -0.000 0.000 0.282 518 G HA3 0.236 4.196 3.960 -0.000 0.000 0.282 518 G C -3.420 171.637 174.900 0.262 0.000 1.312 518 G CA -1.008 44.422 45.100 0.551 0.000 0.942 518 G HN 0.630 nan 8.290 nan 0.000 0.495 519 P HA 0.338 nan 4.420 nan 0.000 0.274 519 P C -2.421 174.927 177.300 0.079 0.000 1.231 519 P CA -0.910 62.257 63.100 0.111 0.000 0.790 519 P CB 0.809 32.565 31.700 0.093 0.000 0.951 520 P HA -0.065 nan 4.420 nan 0.000 0.271 520 P C 0.790 178.114 177.300 0.041 0.000 1.238 520 P CA 0.651 63.785 63.100 0.057 0.000 0.794 520 P CB -0.238 31.491 31.700 0.049 0.000 0.959 521 G N 0.025 108.848 108.800 0.037 0.000 2.361 521 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.294 521 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.294 521 G C 1.098 176.003 174.900 0.008 0.000 1.004 521 G CA 0.302 45.415 45.100 0.022 0.000 0.870 521 G HN 0.670 nan 8.290 nan 0.000 0.510 522 C N -1.983 117.321 119.300 0.006 0.000 2.507 522 C HA 0.539 4.999 4.460 -0.000 0.000 0.280 522 C C 2.491 177.455 174.990 -0.043 0.000 1.345 522 C CA 1.906 60.910 59.018 -0.023 0.000 1.736 522 C CB -0.560 27.161 27.740 -0.032 0.000 2.060 522 C HN 1.806 nan 8.230 nan 0.000 0.498 523 G N -0.249 108.524 108.800 -0.045 0.000 2.551 523 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.186 523 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.186 523 G C 0.964 175.772 174.900 -0.153 0.000 1.002 523 G CA 0.329 45.379 45.100 -0.084 0.000 0.723 523 G HN 0.434 nan 8.290 nan 0.000 0.481 524 K N 0.458 120.771 120.400 -0.146 0.000 2.044 524 K HA -0.216 4.104 4.320 -0.000 0.000 0.224 524 K C 2.458 178.812 176.600 -0.409 0.000 1.056 524 K CA 2.439 58.562 56.287 -0.274 0.000 0.962 524 K CB -0.844 31.660 32.500 0.007 0.000 0.730 524 K HN 0.349 nan 8.250 nan 0.000 0.453 525 T N 2.254 116.669 114.554 -0.231 0.000 2.555 525 T HA -0.163 4.187 4.350 -0.000 0.000 0.264 525 T C 1.813 176.280 174.700 -0.388 0.000 1.083 525 T CA 1.646 63.547 62.100 -0.331 0.000 1.179 525 T CB -0.473 68.415 68.868 0.033 0.000 0.863 525 T HN 0.168 nan 8.240 nan 0.000 0.412 526 L N 0.685 121.765 121.223 -0.239 0.000 2.661 526 L HA -0.086 4.254 4.340 -0.000 0.000 0.236 526 L C 2.038 178.721 176.870 -0.312 0.000 1.176 526 L CA 0.660 55.356 54.840 -0.240 0.000 0.836 526 L CB -0.718 41.255 42.059 -0.144 0.000 0.960 526 L HN 0.296 nan 8.230 nan 0.000 0.455 527 L N -1.359 119.633 121.223 -0.385 0.000 2.269 527 L HA 0.103 4.443 4.340 -0.000 0.000 0.200 527 L C 2.786 179.351 176.870 -0.507 0.000 1.069 527 L CA 0.682 55.289 54.840 -0.388 0.000 0.804 527 L CB -0.569 41.246 42.059 -0.407 0.000 0.987 527 L HN 0.107 nan 8.230 nan 0.000 0.468 528 A N 0.593 123.021 122.820 -0.653 0.000 1.933 528 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 528 A C 2.244 179.335 177.584 -0.821 0.000 1.175 528 A CA 1.609 53.254 52.037 -0.653 0.000 0.628 528 A CB -0.304 18.112 19.000 -0.973 0.000 0.814 528 A HN 0.313 nan 8.150 nan 0.000 0.444 529 K N -0.494 119.326 120.400 -0.967 0.000 2.228 529 K HA 0.148 4.468 4.320 -0.000 0.000 0.202 529 K C 2.199 178.404 176.600 -0.658 0.000 1.051 529 K CA 0.734 56.387 56.287 -1.055 0.000 0.960 529 K CB -0.151 31.896 32.500 -0.755 0.000 0.743 529 K HN 0.435 nan 8.250 nan 0.000 0.458 530 A N 1.835 124.290 122.820 -0.608 0.000 1.843 530 A HA -0.090 4.230 4.320 -0.000 0.000 0.213 530 A C 1.981 179.104 177.584 -0.769 0.000 1.202 530 A CA 0.834 52.465 52.037 -0.678 0.000 0.607 530 A CB -0.405 18.151 19.000 -0.740 0.000 0.847 530 A HN 0.061 nan 8.150 nan 0.000 0.445 531 I N 0.490 120.649 120.570 -0.685 0.000 2.290 531 I HA -0.339 3.831 4.170 -0.000 0.000 0.253 531 I C 2.710 178.619 176.117 -0.346 0.000 1.112 531 I CA 1.722 62.744 61.300 -0.464 0.000 1.377 531 I CB -1.539 36.326 38.000 -0.226 0.000 1.060 531 I HN 0.395 nan 8.210 nan 0.000 0.428 532 A N 0.846 123.466 122.820 -0.333 0.000 1.930 532 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 532 A C 2.116 179.574 177.584 -0.211 0.000 1.176 532 A CA 1.570 53.484 52.037 -0.205 0.000 0.632 532 A CB -0.824 18.095 19.000 -0.134 0.000 0.819 532 A HN 0.492 nan 8.150 nan 0.000 0.445 533 N N 0.168 118.688 118.700 -0.300 0.000 2.149 533 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 533 N C 1.388 176.760 175.510 -0.229 0.000 1.019 533 N CA 1.831 54.723 53.050 -0.263 0.000 0.857 533 N CB -0.262 38.025 38.487 -0.333 0.000 0.997 533 N HN 0.391 nan 8.380 nan 0.000 0.426 534 E N -1.348 118.684 120.200 -0.280 0.000 2.516 534 E HA 0.066 4.416 4.350 -0.000 0.000 0.199 534 E C 0.284 176.823 176.600 -0.102 0.000 1.069 534 E CA 0.402 56.705 56.400 -0.162 0.000 0.876 534 E CB -0.157 29.491 29.700 -0.088 0.000 0.843 534 E HN 0.504 nan 8.360 nan 0.000 0.530 535 C N -0.345 118.887 119.300 -0.114 0.000 3.642 535 C HA 0.213 4.673 4.460 -0.000 0.000 0.305 535 C C 0.125 175.077 174.990 -0.063 0.000 1.492 535 C CA -0.588 58.382 59.018 -0.080 0.000 1.809 535 C CB 0.081 27.774 27.740 -0.078 0.000 2.639 535 C HN 0.264 nan 8.230 nan 0.000 0.672 536 Q N 0.210 119.966 119.800 -0.074 0.000 2.450 536 Q HA -0.230 4.110 4.340 -0.000 0.000 0.255 536 Q C 0.220 176.202 176.000 -0.030 0.000 1.003 536 Q CA 1.273 57.043 55.803 -0.055 0.000 1.097 536 Q CB -1.772 26.939 28.738 -0.044 0.000 1.544 536 Q HN 0.851 nan 8.270 nan 0.000 0.531 537 A N 0.635 123.440 122.820 -0.024 0.000 2.306 537 A HA 0.545 4.865 4.320 -0.000 0.000 0.314 537 A C 0.798 178.409 177.584 0.044 0.000 1.164 537 A CA -0.537 51.508 52.037 0.014 0.000 0.822 537 A CB 0.623 19.638 19.000 0.025 0.000 1.130 537 A HN 0.218 nan 8.150 nan 0.000 0.496 538 N N -0.315 118.426 118.700 0.069 0.000 2.178 538 N HA 0.212 4.952 4.740 -0.000 0.000 0.222 538 N C -0.840 174.805 175.510 0.225 0.000 1.350 538 N CA 0.915 54.031 53.050 0.109 0.000 0.874 538 N CB 0.067 38.600 38.487 0.077 0.000 1.086 538 N HN 0.604 nan 8.380 nan 0.000 0.452 539 F N -0.671 119.285 119.950 0.010 0.000 2.668 539 F HA 0.564 5.091 4.527 -0.000 0.000 0.309 539 F C -1.507 174.310 175.800 0.028 0.000 1.117 539 F CA -0.891 57.123 58.000 0.024 0.000 0.951 539 F CB 1.101 40.104 39.000 0.004 0.000 1.323 539 F HN 0.250 nan 8.300 nan 0.000 0.451 540 I N 3.503 123.412 120.570 -1.102 0.000 2.497 540 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 540 I C -0.841 174.595 176.117 -1.136 0.000 1.060 540 I CA -0.625 60.175 61.300 -0.834 0.000 1.071 540 I CB 1.939 39.662 38.000 -0.461 0.000 1.216 540 I HN 0.544 nan 8.210 nan 0.000 0.442 541 S N 7.816 123.080 115.700 -0.726 0.000 2.695 541 S HA 0.505 4.975 4.470 -0.000 0.000 0.275 541 S C -0.173 174.293 174.600 -0.223 0.000 1.203 541 S CA -0.490 57.532 58.200 -0.296 0.000 1.061 541 S CB -0.272 63.008 63.200 0.133 0.000 1.152 541 S HN 0.446 nan 8.310 nan 0.000 0.495 542 I N 5.409 125.738 120.570 -0.401 0.000 2.278 542 I HA 0.191 4.361 4.170 -0.000 0.000 0.296 542 I C 0.589 176.538 176.117 -0.280 0.000 1.121 542 I CA -0.422 60.641 61.300 -0.394 0.000 1.267 542 I CB 0.303 37.838 38.000 -0.775 0.000 1.447 542 I HN 0.349 nan 8.210 nan 0.000 0.509 543 K N 3.671 124.006 120.400 -0.110 0.000 2.414 543 K HA 0.110 4.430 4.320 -0.000 0.000 0.272 543 K C 1.352 177.924 176.600 -0.047 0.000 0.993 543 K CA 0.132 56.380 56.287 -0.065 0.000 0.964 543 K CB 0.941 33.447 32.500 0.010 0.000 0.925 543 K HN 0.713 nan 8.250 nan 0.000 0.487 544 G N 3.000 111.778 108.800 -0.037 0.000 2.511 544 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 544 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 544 G C -1.022 173.887 174.900 0.014 0.000 1.218 544 G CA 0.481 45.576 45.100 -0.009 0.000 0.788 544 G HN 0.532 nan 8.290 nan 0.000 0.560 545 P HA -0.116 nan 4.420 nan 0.000 0.220 545 P C 1.282 178.623 177.300 0.069 0.000 1.144 545 P CA 1.539 64.662 63.100 0.038 0.000 0.808 545 P CB 0.081 31.801 31.700 0.034 0.000 0.763 546 E N -1.550 118.705 120.200 0.092 0.000 2.110 546 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 546 E C 1.839 178.618 176.600 0.300 0.000 0.950 546 E CA 0.180 56.720 56.400 0.234 0.000 0.840 546 E CB -0.490 29.391 29.700 0.301 0.000 0.809 546 E HN 0.038 nan 8.360 nan 0.000 0.465 547 L N 0.824 122.008 121.223 -0.064 0.000 1.941 547 L HA -0.281 4.059 4.340 -0.000 0.000 0.224 547 L C 2.415 179.256 176.870 -0.048 0.000 1.081 547 L CA 1.454 56.093 54.840 -0.334 0.000 0.784 547 L CB -1.047 40.849 42.059 -0.271 0.000 0.894 547 L HN 0.163 nan 8.230 nan 0.000 0.436 548 L N -1.010 120.212 121.223 -0.002 0.000 1.997 548 L HA -0.330 4.010 4.340 -0.000 0.000 0.227 548 L C 2.529 179.452 176.870 0.088 0.000 1.087 548 L CA 2.193 57.056 54.840 0.038 0.000 0.797 548 L CB -1.255 40.821 42.059 0.028 0.000 0.902 548 L HN 0.415 nan 8.230 nan 0.000 0.441 549 T N -1.303 113.316 114.554 0.110 0.000 2.739 549 T HA -0.025 4.325 4.350 -0.000 0.000 0.246 549 T C 1.580 176.341 174.700 0.102 0.000 1.058 549 T CA 0.780 62.931 62.100 0.085 0.000 1.184 549 T CB -0.079 68.824 68.868 0.058 0.000 0.887 549 T HN 0.064 nan 8.240 nan 0.000 0.408 550 M N -0.243 119.447 119.600 0.150 0.000 2.563 550 M HA 0.223 4.703 4.480 -0.000 0.000 0.231 550 M C 0.388 176.624 176.300 -0.107 0.000 1.136 550 M CA 0.078 55.373 55.300 -0.009 0.000 1.026 550 M CB -0.927 31.635 32.600 -0.064 0.000 1.597 550 M HN 0.342 nan 8.290 nan 0.000 0.495 551 W N -0.628 120.613 121.300 -0.098 0.000 3.549 551 W HA 0.238 4.898 4.660 -0.000 0.000 0.260 551 W C -0.152 176.237 176.519 -0.217 0.000 1.572 551 W CA 0.453 57.774 57.345 -0.040 0.000 2.140 551 W CB -0.053 29.468 29.460 0.102 0.000 1.431 551 W HN -0.186 nan 8.180 nan 0.000 0.525 552 F N -0.207 119.911 119.950 0.280 0.000 2.596 552 F HA 0.536 5.063 4.527 -0.000 0.000 0.311 552 F C 0.713 176.572 175.800 0.099 0.000 1.116 552 F CA -1.444 56.640 58.000 0.141 0.000 0.957 552 F CB 0.688 39.764 39.000 0.126 0.000 1.250 552 F HN 0.027 nan 8.300 nan 0.000 0.444 553 G N 0.976 109.900 108.800 0.206 0.000 2.690 553 G HA2 0.300 4.260 3.960 -0.000 0.000 0.239 553 G HA3 0.300 4.260 3.960 -0.000 0.000 0.239 553 G C -0.227 174.749 174.900 0.126 0.000 1.233 553 G CA -0.414 44.763 45.100 0.128 0.000 0.847 553 G HN 0.692 nan 8.290 nan 0.000 0.588 554 E N -0.810 119.439 120.200 0.081 0.000 2.160 554 E HA -0.203 4.147 4.350 -0.000 0.000 0.180 554 E C 0.787 177.427 176.600 0.066 0.000 1.452 554 E CA 1.196 57.633 56.400 0.061 0.000 0.683 554 E CB -2.012 27.719 29.700 0.052 0.000 1.072 554 E HN 0.781 nan 8.360 nan 0.000 0.332 555 S N -0.679 115.061 115.700 0.066 0.000 2.457 555 S HA 0.176 4.646 4.470 -0.000 0.000 0.237 555 S C 0.999 175.609 174.600 0.016 0.000 1.213 555 S CA -0.512 57.724 58.200 0.059 0.000 1.218 555 S CB 0.575 63.842 63.200 0.111 0.000 0.922 555 S HN 0.238 nan 8.310 nan 0.000 0.488 556 E N 1.322 121.531 120.200 0.016 0.000 2.409 556 E HA -0.035 4.315 4.350 -0.000 0.000 0.198 556 E C 1.299 177.905 176.600 0.010 0.000 1.024 556 E CA 1.104 57.510 56.400 0.010 0.000 0.861 556 E CB -0.495 29.212 29.700 0.012 0.000 0.788 556 E HN 0.676 nan 8.360 nan 0.000 0.521 557 A N 1.297 124.121 122.820 0.008 0.000 1.984 557 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 557 A C 1.795 179.370 177.584 -0.014 0.000 1.173 557 A CA 0.750 52.788 52.037 0.001 0.000 0.673 557 A CB -0.368 18.631 19.000 -0.002 0.000 0.830 557 A HN 0.197 nan 8.150 nan 0.000 0.453 558 N N 0.461 119.149 118.700 -0.021 0.000 2.272 558 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 558 N C 1.436 176.880 175.510 -0.110 0.000 1.014 558 N CA 1.495 54.513 53.050 -0.052 0.000 0.870 558 N CB -0.401 38.077 38.487 -0.015 0.000 0.975 558 N HN 0.284 nan 8.380 nan 0.000 0.433 559 V N 0.794 120.663 119.914 -0.075 0.000 2.307 559 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 559 V C 2.354 178.488 176.094 0.066 0.000 1.045 559 V CA 1.583 63.851 62.300 -0.052 0.000 1.024 559 V CB -0.528 31.312 31.823 0.029 0.000 0.651 559 V HN 0.333 nan 8.190 nan 0.000 0.449 560 R N 0.276 120.842 120.500 0.110 0.000 2.120 560 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 560 R C 2.331 178.694 176.300 0.106 0.000 1.123 560 R CA 1.729 57.930 56.100 0.168 0.000 0.975 560 R CB -0.295 30.046 30.300 0.069 0.000 0.866 560 R HN 0.603 nan 8.270 nan 0.000 0.446 561 E N 0.922 121.123 120.200 0.002 0.000 2.110 561 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 561 E C 1.963 178.517 176.600 -0.077 0.000 0.988 561 E CA 1.346 57.711 56.400 -0.060 0.000 0.804 561 E CB -0.093 29.559 29.700 -0.081 0.000 0.745 561 E HN 0.480 nan 8.360 nan 0.000 0.458 562 I N 0.158 120.646 120.570 -0.136 0.000 2.163 562 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 562 I C 2.198 178.182 176.117 -0.221 0.000 1.085 562 I CA 1.138 62.282 61.300 -0.261 0.000 1.347 562 I CB -0.379 37.340 38.000 -0.467 0.000 1.044 562 I HN 0.054 nan 8.210 nan 0.000 0.408 563 F N 0.853 120.767 119.950 -0.059 0.000 2.234 563 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 563 F C 2.279 178.058 175.800 -0.035 0.000 1.087 563 F CA 1.599 59.583 58.000 -0.025 0.000 1.340 563 F CB -0.566 38.432 39.000 -0.003 0.000 1.031 563 F HN 0.145 nan 8.300 nan 0.000 0.500 564 D N 0.656 121.122 120.400 0.109 0.000 2.084 564 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 564 D C 1.917 178.212 176.300 -0.007 0.000 0.990 564 D CA 1.280 55.294 54.000 0.022 0.000 0.826 564 D CB -0.212 40.546 40.800 -0.071 0.000 0.971 564 D HN 0.158 nan 8.370 nan 0.000 0.453 565 K N -0.826 119.549 120.400 -0.042 0.000 2.551 565 K HA 0.126 4.446 4.320 -0.000 0.000 0.192 565 K C 1.219 177.805 176.600 -0.024 0.000 1.027 565 K CA 0.452 56.716 56.287 -0.037 0.000 1.059 565 K CB 0.132 32.604 32.500 -0.047 0.000 0.831 565 K HN 0.135 nan 8.250 nan 0.000 0.508 566 A N 0.661 123.479 122.820 -0.004 0.000 1.963 566 A HA 0.029 4.349 4.320 -0.000 0.000 0.211 566 A C 1.915 179.541 177.584 0.070 0.000 1.380 566 A CA 0.129 52.174 52.037 0.012 0.000 0.690 566 A CB -0.402 18.598 19.000 0.001 0.000 1.060 566 A HN 0.254 nan 8.150 nan 0.000 0.498 567 R N -0.509 120.058 120.500 0.112 0.000 2.159 567 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 567 R C 2.205 178.548 176.300 0.073 0.000 1.131 567 R CA 1.664 57.826 56.100 0.103 0.000 0.982 567 R CB -0.133 30.230 30.300 0.104 0.000 0.868 567 R HN 0.594 nan 8.270 nan 0.000 0.453 568 Q N 0.427 120.262 119.800 0.059 0.000 2.083 568 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 568 Q C 1.202 177.229 176.000 0.045 0.000 0.969 568 Q CA 1.658 57.491 55.803 0.049 0.000 0.838 568 Q CB -0.020 28.741 28.738 0.038 0.000 0.900 568 Q HN 0.388 nan 8.270 nan 0.000 0.436 569 A N 0.577 123.421 122.820 0.040 0.000 2.265 569 A HA 0.436 4.756 4.320 -0.000 0.000 0.213 569 A C 0.758 178.370 177.584 0.046 0.000 1.255 569 A CA 0.504 52.563 52.037 0.037 0.000 0.862 569 A CB -0.654 18.361 19.000 0.025 0.000 0.852 569 A HN 0.362 nan 8.150 nan 0.000 0.484 570 A N 0.846 123.699 122.820 0.054 0.000 2.425 570 A HA 0.520 4.840 4.320 -0.000 0.000 0.242 570 A C -2.136 175.477 177.584 0.048 0.000 1.077 570 A CA -0.963 51.111 52.037 0.061 0.000 0.781 570 A CB -0.400 18.641 19.000 0.068 0.000 1.020 570 A HN 0.309 nan 8.150 nan 0.000 0.494 571 P HA 0.394 nan 4.420 nan 0.000 0.268 571 P C -0.538 176.805 177.300 0.073 0.000 1.205 571 P CA -0.094 63.040 63.100 0.058 0.000 0.771 571 P CB 0.536 32.259 31.700 0.039 0.000 0.858 572 C N 2.561 121.925 119.300 0.105 0.000 3.312 572 C HA 0.643 5.103 4.460 -0.000 0.000 0.332 572 C C -1.434 173.683 174.990 0.211 0.000 1.340 572 C CA -0.439 58.659 59.018 0.135 0.000 1.265 572 C CB 1.117 28.920 27.740 0.104 0.000 1.563 572 C HN 0.534 nan 8.230 nan 0.000 0.471 573 V N 2.769 122.849 119.914 0.277 0.000 2.531 573 V HA 0.792 4.912 4.120 -0.000 0.000 0.301 573 V C -0.895 175.436 176.094 0.395 0.000 1.034 573 V CA -0.527 62.027 62.300 0.424 0.000 0.865 573 V CB 1.230 33.312 31.823 0.431 0.000 0.995 573 V HN 0.878 nan 8.190 nan 0.000 0.424 574 L N 4.986 126.410 121.223 0.336 0.000 2.375 574 L HA 0.842 5.182 4.340 -0.000 0.000 0.268 574 L C -0.803 176.309 176.870 0.403 0.000 1.058 574 L CA -0.392 54.547 54.840 0.165 0.000 0.803 574 L CB 1.599 43.740 42.059 0.138 0.000 1.212 574 L HN 0.848 nan 8.230 nan 0.000 0.451 575 F N 3.588 123.535 119.950 -0.005 0.000 2.722 575 F HA 0.427 4.954 4.527 -0.000 0.000 0.336 575 F C -1.791 174.037 175.800 0.047 0.000 1.216 575 F CA -1.012 57.121 58.000 0.222 0.000 1.065 575 F CB 0.908 40.181 39.000 0.456 0.000 1.325 575 F HN 0.190 nan 8.300 nan 0.000 0.524 576 F N 4.547 124.224 119.950 -0.455 0.000 2.309 576 F HA 0.283 4.810 4.527 -0.000 0.000 0.366 576 F C 0.315 175.674 175.800 -0.735 0.000 1.104 576 F CA -1.020 56.682 58.000 -0.496 0.000 1.179 576 F CB 0.251 39.100 39.000 -0.251 0.000 1.437 576 F HN 0.383 nan 8.300 nan 0.000 0.528 577 D N 2.405 122.286 120.400 -0.865 0.000 2.382 577 D HA 0.162 4.802 4.640 -0.000 0.000 0.245 577 D C -0.071 176.129 176.300 -0.168 0.000 1.120 577 D CA 0.484 54.129 54.000 -0.592 0.000 0.890 577 D CB 0.488 41.075 40.800 -0.354 0.000 1.201 577 D HN 0.614 nan 8.370 nan 0.000 0.433 578 E N 1.776 121.949 120.200 -0.044 0.000 2.266 578 E HA -0.178 4.172 4.350 -0.000 0.000 0.209 578 E C 0.524 177.127 176.600 0.004 0.000 1.286 578 E CA -0.065 56.338 56.400 0.006 0.000 0.677 578 E CB -1.190 28.515 29.700 0.008 0.000 1.173 578 E HN 0.562 nan 8.360 nan 0.000 0.384 579 L N 0.646 121.879 121.223 0.016 0.000 2.313 579 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 579 L C 2.253 179.127 176.870 0.007 0.000 1.119 579 L CA 1.148 55.993 54.840 0.009 0.000 0.809 579 L CB -0.306 41.755 42.059 0.003 0.000 0.933 579 L HN 0.384 nan 8.230 nan 0.000 0.449 580 D N -0.379 120.030 120.400 0.016 0.000 2.350 580 D HA -0.164 4.476 4.640 -0.000 0.000 0.216 580 D C 1.955 178.259 176.300 0.006 0.000 0.968 580 D CA 1.220 55.224 54.000 0.007 0.000 0.894 580 D CB -0.118 40.685 40.800 0.005 0.000 0.909 580 D HN 0.384 nan 8.370 nan 0.000 0.520 581 S N 0.525 116.231 115.700 0.009 0.000 2.387 581 S HA -0.153 4.317 4.470 -0.000 0.000 0.230 581 S C 1.372 175.976 174.600 0.006 0.000 1.035 581 S CA 0.573 58.778 58.200 0.009 0.000 1.014 581 S CB -0.508 62.699 63.200 0.011 0.000 0.836 581 S HN 0.369 nan 8.310 nan 0.000 0.466 598 D N 1.517 121.912 120.400 -0.008 0.000 2.478 598 D HA 0.492 5.132 4.640 -0.000 0.000 0.274 598 D C 1.241 177.538 176.300 -0.006 0.000 1.234 598 D CA -0.385 53.612 54.000 -0.005 0.000 1.069 598 D CB 0.540 41.338 40.800 -0.003 0.000 1.113 598 D HN 0.388 nan 8.370 nan 0.000 0.571 599 R N -0.636 119.863 120.500 -0.002 0.000 2.065 599 R HA -0.035 4.305 4.340 -0.000 0.000 0.224 599 R C 2.267 178.567 176.300 -0.001 0.000 1.161 599 R CA 1.246 57.345 56.100 -0.000 0.000 0.923 599 R CB -1.095 29.207 30.300 0.004 0.000 0.822 599 R HN 0.301 nan 8.270 nan 0.000 0.437 600 V N 2.130 122.044 119.914 -0.001 0.000 2.226 600 V HA -0.361 3.759 4.120 -0.000 0.000 0.254 600 V C 2.407 178.497 176.094 -0.006 0.000 1.065 600 V CA 2.290 64.589 62.300 -0.002 0.000 1.039 600 V CB -0.711 31.109 31.823 -0.006 0.000 0.653 600 V HN 0.316 nan 8.190 nan 0.000 0.450 601 I N 0.202 120.761 120.570 -0.017 0.000 2.076 601 I HA -0.304 3.866 4.170 -0.000 0.000 0.237 601 I C 2.496 178.594 176.117 -0.033 0.000 1.059 601 I CA 2.474 63.753 61.300 -0.036 0.000 1.317 601 I CB -0.694 37.285 38.000 -0.036 0.000 1.037 601 I HN 0.417 nan 8.210 nan 0.000 0.398 602 N N 0.542 119.228 118.700 -0.024 0.000 2.137 602 N HA -0.294 4.446 4.740 -0.000 0.000 0.190 602 N C 1.793 177.293 175.510 -0.017 0.000 1.017 602 N CA 1.639 54.675 53.050 -0.023 0.000 0.859 602 N CB -0.110 38.367 38.487 -0.017 0.000 1.002 602 N HN 0.267 nan 8.380 nan 0.000 0.428 603 Q N 0.364 120.162 119.800 -0.003 0.000 2.046 603 Q HA 0.056 4.396 4.340 -0.000 0.000 0.200 603 Q C 1.859 177.885 176.000 0.045 0.000 0.975 603 Q CA 1.480 57.291 55.803 0.014 0.000 0.836 603 Q CB -0.327 28.424 28.738 0.023 0.000 0.896 603 Q HN 0.565 nan 8.270 nan 0.000 0.428 604 I N 0.063 120.672 120.570 0.064 0.000 2.454 604 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 604 I C 1.798 177.952 176.117 0.062 0.000 1.156 604 I CA 0.700 62.094 61.300 0.157 0.000 1.433 604 I CB -0.186 37.827 38.000 0.022 0.000 1.082 604 I HN 0.241 nan 8.210 nan 0.000 0.432 605 L N -0.374 120.834 121.223 -0.025 0.000 2.095 605 L HA -0.110 4.230 4.340 -0.000 0.000 0.204 605 L C 2.584 179.402 176.870 -0.088 0.000 1.080 605 L CA 1.159 55.960 54.840 -0.065 0.000 0.759 605 L CB -0.896 41.127 42.059 -0.060 0.000 0.914 605 L HN 0.170 nan 8.230 nan 0.000 0.439 606 T N -0.739 113.771 114.554 -0.073 0.000 2.643 606 T HA -0.158 4.192 4.350 -0.000 0.000 0.264 606 T C 1.600 176.199 174.700 -0.167 0.000 1.045 606 T CA 1.098 63.143 62.100 -0.091 0.000 1.155 606 T CB -0.153 68.680 68.868 -0.058 0.000 0.863 606 T HN 0.229 nan 8.240 nan 0.000 0.420 607 E N 0.510 120.580 120.200 -0.217 0.000 2.515 607 E HA 0.038 4.388 4.350 -0.000 0.000 0.201 607 E C 1.689 177.775 176.600 -0.856 0.000 1.071 607 E CA 0.302 56.415 56.400 -0.479 0.000 0.880 607 E CB -0.184 29.255 29.700 -0.435 0.000 0.828 607 E HN 0.503 nan 8.360 nan 0.000 0.540 608 M N -0.144 119.165 119.600 -0.484 0.000 2.466 608 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 608 M C 1.095 177.253 176.300 -0.236 0.000 1.122 608 M CA 0.823 55.904 55.300 -0.366 0.000 1.157 608 M CB 0.520 33.024 32.600 -0.159 0.000 1.352 608 M HN -0.135 nan 8.290 nan 0.000 0.464 609 D N -0.344 119.944 120.400 -0.187 0.000 2.162 609 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 609 D C 1.690 177.914 176.300 -0.126 0.000 0.964 609 D CA 1.328 55.254 54.000 -0.124 0.000 0.847 609 D CB -0.269 40.476 40.800 -0.091 0.000 0.988 609 D HN 0.472 nan 8.370 nan 0.000 0.480 610 G N 0.613 109.319 108.800 -0.157 0.000 2.776 610 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.209 610 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.209 610 G C 0.819 175.632 174.900 -0.145 0.000 1.145 610 G CA -0.159 44.864 45.100 -0.130 0.000 0.791 610 G HN 0.080 nan 8.290 nan 0.000 0.530 611 M N 2.046 121.531 119.600 -0.192 0.000 2.264 611 M HA 0.253 4.733 4.480 -0.000 0.000 0.340 611 M C 0.450 176.710 176.300 -0.068 0.000 1.420 611 M CA -0.124 55.080 55.300 -0.159 0.000 1.254 611 M CB 0.048 32.521 32.600 -0.212 0.000 1.575 611 M HN 0.005 nan 8.290 nan 0.000 0.452 612 S N 4.062 119.741 115.700 -0.034 0.000 3.159 612 S HA -0.081 4.389 4.470 -0.000 0.000 0.375 612 S C 1.566 176.168 174.600 0.003 0.000 1.068 612 S CA 0.729 58.923 58.200 -0.009 0.000 1.678 612 S CB -0.393 62.811 63.200 0.008 0.000 1.160 612 S HN 0.906 nan 8.310 nan 0.000 0.605 613 T N 4.351 118.902 114.554 -0.005 0.000 2.721 613 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 613 T C 1.103 175.812 174.700 0.015 0.000 1.038 613 T CA 1.422 63.525 62.100 0.004 0.000 1.145 613 T CB -0.227 68.639 68.868 -0.003 0.000 0.858 613 T HN 0.709 nan 8.240 nan 0.000 0.459 614 K N 1.703 122.111 120.400 0.014 0.000 3.322 614 K HA 0.168 4.488 4.320 -0.000 0.000 0.291 614 K C -0.306 176.311 176.600 0.027 0.000 1.131 614 K CA 0.278 56.576 56.287 0.018 0.000 1.185 614 K CB 0.040 32.551 32.500 0.018 0.000 1.338 614 K HN 0.377 nan 8.250 nan 0.000 0.380 615 K N 0.209 120.630 120.400 0.036 0.000 2.551 615 K HA 0.213 4.533 4.320 -0.000 0.000 0.269 615 K C -0.996 175.644 176.600 0.067 0.000 0.949 615 K CA -0.947 55.369 56.287 0.048 0.000 0.849 615 K CB 1.342 33.872 32.500 0.049 0.000 1.411 615 K HN -0.005 nan 8.250 nan 0.000 0.432 616 N N 1.689 120.433 118.700 0.073 0.000 2.670 616 N HA 0.032 4.772 4.740 -0.000 0.000 0.296 616 N C -0.854 174.735 175.510 0.130 0.000 1.216 616 N CA 0.307 53.414 53.050 0.096 0.000 1.123 616 N CB 0.044 38.578 38.487 0.077 0.000 1.459 616 N HN 0.175 nan 8.380 nan 0.000 0.509 617 V N 2.990 122.999 119.914 0.158 0.000 2.462 617 V HA 0.158 4.278 4.120 -0.000 0.000 0.257 617 V C 0.076 176.308 176.094 0.231 0.000 0.944 617 V CA -0.799 61.613 62.300 0.187 0.000 0.903 617 V CB -0.394 31.523 31.823 0.158 0.000 1.128 617 V HN 0.265 nan 8.190 nan 0.000 0.486 618 F N 3.107 123.135 119.950 0.129 0.000 2.480 618 F HA 0.535 5.062 4.527 -0.000 0.000 0.319 618 F C 0.320 176.242 175.800 0.203 0.000 1.230 618 F CA -0.107 57.982 58.000 0.148 0.000 1.285 618 F CB 0.627 39.716 39.000 0.148 0.000 1.208 618 F HN 0.228 nan 8.300 nan 0.000 0.579 619 I N 5.318 125.565 120.570 -0.539 0.000 2.586 619 I HA 0.221 4.391 4.170 -0.000 0.000 0.281 619 I C -0.761 175.281 176.117 -0.125 0.000 1.145 619 I CA -0.200 61.026 61.300 -0.123 0.000 1.073 619 I CB 1.117 39.101 38.000 -0.027 0.000 1.238 619 I HN 0.363 nan 8.210 nan 0.000 0.461 620 I N 3.753 124.498 120.570 0.292 0.000 3.021 620 I HA 0.633 4.803 4.170 -0.000 0.000 0.303 620 I C 1.017 177.439 176.117 0.507 0.000 1.044 620 I CA -0.102 61.501 61.300 0.505 0.000 1.266 620 I CB 1.277 39.740 38.000 0.770 0.000 1.447 620 I HN 0.588 nan 8.210 nan 0.000 0.593 621 G N 0.932 110.052 108.800 0.534 0.000 3.015 621 G HA2 0.860 4.820 3.960 -0.000 0.000 0.281 621 G HA3 0.860 4.820 3.960 -0.000 0.000 0.281 621 G C -1.661 173.525 174.900 0.476 0.000 1.386 621 G CA -0.304 45.005 45.100 0.347 0.000 0.959 621 G HN 0.881 nan 8.290 nan 0.000 0.522 625 R N 1.109 121.558 120.500 -0.085 0.000 2.818 625 R HA 0.351 4.691 4.340 -0.000 0.000 0.258 625 R C -2.491 173.654 176.300 -0.259 0.000 1.797 625 R CA -1.010 54.982 56.100 -0.181 0.000 1.532 625 R CB 1.001 31.250 30.300 -0.084 0.000 1.413 625 R HN -0.169 nan 8.270 nan 0.000 0.622 626 P HA -0.075 nan 4.420 nan 0.000 0.250 626 P C -0.193 176.964 177.300 -0.237 0.000 1.239 626 P CA 0.900 63.716 63.100 -0.474 0.000 0.756 626 P CB 0.326 31.573 31.700 -0.754 0.000 1.013 627 D N -0.449 119.859 120.400 -0.154 0.000 2.468 627 D HA 0.005 4.645 4.640 -0.000 0.000 0.243 627 D C 1.468 177.816 176.300 0.080 0.000 0.994 627 D CA 0.387 54.502 54.000 0.191 0.000 0.932 627 D CB -0.659 40.323 40.800 0.305 0.000 1.078 627 D HN 0.187 nan 8.370 nan 0.000 0.473 628 I N 1.373 121.958 120.570 0.025 0.000 3.535 628 I HA 0.051 4.221 4.170 -0.000 0.000 0.307 628 I C 0.190 176.311 176.117 0.006 0.000 1.200 628 I CA 0.254 61.565 61.300 0.017 0.000 1.193 628 I CB -0.560 37.445 38.000 0.008 0.000 1.003 628 I HN -0.119 nan 8.210 nan 0.000 0.505 629 I N 0.962 121.537 120.570 0.007 0.000 2.330 629 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 629 I C 0.133 176.253 176.117 0.004 0.000 1.001 629 I CA -0.728 60.572 61.300 -0.000 0.000 1.193 629 I CB 1.138 39.133 38.000 -0.008 0.000 1.345 629 I HN 0.005 nan 8.210 nan 0.000 0.461 630 D N 9.203 129.601 120.400 -0.004 0.000 2.412 630 D HA 0.047 4.687 4.640 -0.000 0.000 0.257 630 D C -1.600 174.695 176.300 -0.008 0.000 1.217 630 D CA -1.251 52.745 54.000 -0.007 0.000 0.897 630 D CB 1.174 41.966 40.800 -0.014 0.000 1.132 630 D HN 0.225 nan 8.370 nan 0.000 0.493 631 P HA -0.204 nan 4.420 nan 0.000 0.218 631 P C 0.964 178.257 177.300 -0.011 0.000 1.146 631 P CA 1.620 64.716 63.100 -0.005 0.000 0.820 631 P CB 0.090 31.787 31.700 -0.006 0.000 0.778 632 A N -0.680 122.131 122.820 -0.016 0.000 1.978 632 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 632 A C 2.118 179.685 177.584 -0.028 0.000 1.170 632 A CA 1.491 53.515 52.037 -0.022 0.000 0.636 632 A CB -1.588 17.397 19.000 -0.025 0.000 0.810 632 A HN 0.180 nan 8.150 nan 0.000 0.448 633 I N -0.353 120.199 120.570 -0.030 0.000 2.493 633 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 633 I C 2.052 178.155 176.117 -0.024 0.000 1.160 633 I CA 0.802 62.078 61.300 -0.040 0.000 1.445 633 I CB -0.243 37.731 38.000 -0.043 0.000 1.086 633 I HN 0.316 nan 8.210 nan 0.000 0.433 634 L N -0.037 121.180 121.223 -0.009 0.000 2.131 634 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 634 L C 1.396 178.264 176.870 -0.004 0.000 1.087 634 L CA 0.444 55.286 54.840 0.004 0.000 0.767 634 L CB -0.611 41.454 42.059 0.009 0.000 0.917 634 L HN 0.131 nan 8.230 nan 0.000 0.441 635 R N 0.576 121.069 120.500 -0.012 0.000 2.873 635 R HA 0.026 4.366 4.340 -0.000 0.000 0.267 635 R C -1.982 174.307 176.300 -0.019 0.000 1.009 635 R CA -1.277 54.815 56.100 -0.014 0.000 1.152 635 R CB -0.664 29.626 30.300 -0.018 0.000 1.047 635 R HN -0.055 nan 8.270 nan 0.000 0.470 636 P HA -0.086 nan 4.420 nan 0.000 0.281 636 P C 0.445 177.729 177.300 -0.027 0.000 1.274 636 P CA 0.499 63.588 63.100 -0.017 0.000 0.794 636 P CB 0.199 31.892 31.700 -0.011 0.000 1.201 637 G N -1.314 107.471 108.800 -0.026 0.000 2.230 637 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.270 637 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.270 637 G C 0.642 175.513 174.900 -0.050 0.000 0.987 637 G CA 1.342 46.421 45.100 -0.035 0.000 0.664 637 G HN 0.546 nan 8.290 nan 0.000 0.539 638 R N -1.713 118.756 120.500 -0.051 0.000 2.719 638 R HA 0.506 4.846 4.340 -0.000 0.000 0.102 638 R C 0.558 176.814 176.300 -0.073 0.000 1.083 638 R CA -0.438 55.621 56.100 -0.067 0.000 0.894 638 R CB -0.000 30.259 30.300 -0.067 0.000 0.769 638 R HN 0.113 nan 8.270 nan 0.000 0.373 639 L N 3.607 124.792 121.223 -0.064 0.000 2.923 639 L HA 0.198 4.538 4.340 -0.000 0.000 0.231 639 L C -0.236 176.613 176.870 -0.035 0.000 1.300 639 L CA -0.209 54.594 54.840 -0.061 0.000 1.184 639 L CB 0.196 42.225 42.059 -0.050 0.000 1.511 639 L HN 0.534 nan 8.230 nan 0.000 0.448 640 D N -1.601 118.780 120.400 -0.031 0.000 2.350 640 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 640 D C 0.553 176.849 176.300 -0.006 0.000 0.968 640 D CA 0.678 54.671 54.000 -0.012 0.000 0.894 640 D CB 0.143 40.938 40.800 -0.007 0.000 0.909 640 D HN 0.228 nan 8.370 nan 0.000 0.520 641 Q N 0.508 120.294 119.800 -0.023 0.000 2.274 641 Q HA 0.346 4.686 4.340 -0.000 0.000 0.256 641 Q C -0.595 175.365 176.000 -0.067 0.000 0.927 641 Q CA -0.399 55.386 55.803 -0.030 0.000 0.939 641 Q CB 2.116 30.839 28.738 -0.025 0.000 1.201 641 Q HN 0.206 nan 8.270 nan 0.000 0.426 642 L N 4.577 125.775 121.223 -0.043 0.000 2.372 642 L HA 0.594 4.934 4.340 -0.000 0.000 0.274 642 L C -0.059 176.747 176.870 -0.106 0.000 0.988 642 L CA -0.268 54.556 54.840 -0.026 0.000 0.833 642 L CB 0.852 43.001 42.059 0.150 0.000 1.236 642 L HN 0.570 nan 8.230 nan 0.000 0.410 643 I N 2.454 122.804 120.570 -0.366 0.000 3.002 643 I HA 0.532 4.702 4.170 -0.000 0.000 0.310 643 I C -1.339 174.554 176.117 -0.373 0.000 1.087 643 I CA -0.983 60.148 61.300 -0.283 0.000 1.017 643 I CB 2.995 40.802 38.000 -0.322 0.000 1.226 643 I HN 0.394 nan 8.210 nan 0.000 0.443 644 Y N 3.096 123.290 120.300 -0.177 0.000 2.562 644 Y HA 0.722 5.272 4.550 -0.000 0.000 0.345 644 Y C -1.243 174.701 175.900 0.074 0.000 1.045 644 Y CA -0.998 57.057 58.100 -0.076 0.000 1.028 644 Y CB 1.501 40.047 38.460 0.142 0.000 1.297 644 Y HN 0.319 nan 8.280 nan 0.000 0.463 652 S N 2.070 117.764 115.700 -0.010 0.000 2.363 652 S HA -0.115 4.355 4.470 -0.000 0.000 0.218 652 S C 1.032 175.628 174.600 -0.008 0.000 1.035 652 S CA 1.311 59.504 58.200 -0.012 0.000 1.043 652 S CB -0.316 62.874 63.200 -0.016 0.000 0.986 652 S HN 0.207 nan 8.310 nan 0.000 0.423 653 R N 1.056 121.553 120.500 -0.005 0.000 4.902 653 R HA 0.245 4.585 4.340 -0.000 0.000 0.201 653 R C -0.307 175.992 176.300 -0.001 0.000 2.020 653 R CA 0.013 56.112 56.100 -0.001 0.000 1.674 653 R CB -0.153 30.148 30.300 0.003 0.000 1.349 653 R HN 0.211 nan 8.270 nan 0.000 0.813 654 V N -1.861 118.051 119.914 -0.003 0.000 3.093 654 V HA 0.052 4.172 4.120 -0.000 0.000 0.251 654 V C 1.014 177.105 176.094 -0.006 0.000 1.719 654 V CA 0.800 63.097 62.300 -0.006 0.000 1.026 654 V CB 1.003 32.821 31.823 -0.009 0.000 0.926 654 V HN 0.431 nan 8.190 nan 0.000 0.396 655 A N -0.571 122.247 122.820 -0.004 0.000 2.229 655 A HA 0.387 4.707 4.320 -0.000 0.000 0.211 655 A C 1.547 179.131 177.584 0.001 0.000 1.193 655 A CA 0.345 52.381 52.037 -0.003 0.000 0.879 655 A CB -0.053 18.944 19.000 -0.005 0.000 0.911 655 A HN 0.401 nan 8.150 nan 0.000 0.492 656 I N 0.212 120.782 120.570 0.001 0.000 3.444 656 I HA -0.037 4.133 4.170 -0.000 0.000 0.287 656 I C 1.274 177.396 176.117 0.009 0.000 1.302 656 I CA 0.557 61.859 61.300 0.003 0.000 1.368 656 I CB 0.060 38.059 38.000 -0.001 0.000 1.048 656 I HN 0.283 nan 8.210 nan 0.000 0.487 657 L N -0.446 120.783 121.223 0.011 0.000 2.515 657 L HA 0.085 4.425 4.340 -0.000 0.000 0.223 657 L C 2.175 179.057 176.870 0.020 0.000 1.079 657 L CA 0.336 55.188 54.840 0.020 0.000 0.857 657 L CB -0.207 41.861 42.059 0.016 0.000 1.050 657 L HN 0.056 nan 8.230 nan 0.000 0.476 658 K N 0.928 121.335 120.400 0.012 0.000 2.098 658 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 658 K C 1.779 178.386 176.600 0.012 0.000 1.051 658 K CA 1.020 57.313 56.287 0.011 0.000 0.957 658 K CB 0.003 32.506 32.500 0.005 0.000 0.738 658 K HN 0.171 nan 8.250 nan 0.000 0.447 659 A N 1.125 123.951 122.820 0.009 0.000 2.327 659 A HA 0.027 4.347 4.320 -0.000 0.000 0.228 659 A C 1.007 178.595 177.584 0.005 0.000 1.275 659 A CA 0.535 52.576 52.037 0.006 0.000 0.875 659 A CB -0.318 18.686 19.000 0.006 0.000 0.925 659 A HN 0.195 nan 8.150 nan 0.000 0.493 660 N N -0.929 117.778 118.700 0.012 0.000 2.160 660 N HA 0.293 5.033 4.740 -0.000 0.000 0.226 660 N C 0.180 175.704 175.510 0.024 0.000 1.256 660 N CA 0.174 53.233 53.050 0.015 0.000 0.890 660 N CB 0.326 38.825 38.487 0.020 0.000 1.116 660 N HN 0.288 nan 8.380 nan 0.000 0.517 661 L N -0.631 120.607 121.223 0.025 0.000 3.695 661 L HA 0.309 4.649 4.340 -0.000 0.000 0.349 661 L C 1.279 178.163 176.870 0.023 0.000 1.304 661 L CA -0.126 54.734 54.840 0.033 0.000 1.078 661 L CB 0.420 42.514 42.059 0.059 0.000 1.440 661 L HN -0.068 nan 8.230 nan 0.000 0.620 662 R N 1.197 121.705 120.500 0.013 0.000 2.082 662 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 662 R C 1.228 177.531 176.300 0.006 0.000 1.140 662 R CA 1.486 57.591 56.100 0.008 0.000 0.920 662 R CB -0.218 30.084 30.300 0.003 0.000 0.828 662 R HN 0.122 nan 8.270 nan 0.000 0.430 663 K N 0.594 120.995 120.400 0.001 0.000 2.569 663 K HA 0.102 4.422 4.320 -0.000 0.000 0.193 663 K C -0.145 176.454 176.600 -0.002 0.000 1.026 663 K CA 0.050 56.336 56.287 -0.003 0.000 1.093 663 K CB 0.422 32.917 32.500 -0.008 0.000 0.849 663 K HN 0.061 nan 8.250 nan 0.000 0.509 668 K N 0.446 120.869 120.400 0.039 0.000 2.517 668 K HA 0.136 4.455 4.320 -0.000 0.000 0.210 668 K C -0.226 176.365 176.600 -0.015 0.000 1.166 668 K CA 0.027 56.322 56.287 0.014 0.000 1.030 668 K CB 0.780 33.287 32.500 0.011 0.000 0.974 668 K HN 0.882 nan 8.250 nan 0.000 0.585 687 L N 1.206 122.440 121.223 0.017 0.000 2.064 687 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 687 L C 2.018 178.901 176.870 0.023 0.000 1.077 687 L CA 1.948 56.799 54.840 0.018 0.000 0.766 687 L CB -0.626 41.439 42.059 0.010 0.000 0.890 687 L HN 0.059 nan 8.230 nan 0.000 0.435 688 T N -2.388 112.177 114.554 0.019 0.000 3.044 688 T HA -0.039 4.310 4.350 -0.000 0.000 0.250 688 T C 1.507 176.218 174.700 0.018 0.000 1.081 688 T CA 0.310 62.422 62.100 0.019 0.000 1.040 688 T CB 0.271 69.145 68.868 0.011 0.000 0.962 688 T HN 0.182 nan 8.240 nan 0.000 0.506 689 E N 1.515 121.726 120.200 0.018 0.000 2.333 689 E HA -0.096 4.254 4.350 -0.000 0.000 0.200 689 E C 1.475 178.085 176.600 0.018 0.000 1.010 689 E CA 1.140 57.549 56.400 0.015 0.000 0.841 689 E CB -0.473 29.237 29.700 0.017 0.000 0.757 689 E HN 0.587 nan 8.360 nan 0.000 0.508 690 I N -1.609 118.979 120.570 0.030 0.000 3.039 690 I HA -0.081 4.089 4.170 -0.000 0.000 0.270 690 I C 1.910 178.053 176.117 0.043 0.000 1.150 690 I CA 0.038 61.364 61.300 0.044 0.000 1.448 690 I CB -0.138 37.907 38.000 0.074 0.000 1.197 690 I HN 0.108 nan 8.210 nan 0.000 0.450 691 C N 0.821 120.154 119.300 0.056 0.000 2.409 691 C HA -0.164 4.296 4.460 -0.000 0.000 0.288 691 C C 2.742 177.728 174.990 -0.006 0.000 1.395 691 C CA 1.381 60.432 59.018 0.056 0.000 1.792 691 C CB -1.044 26.733 27.740 0.061 0.000 1.847 691 C HN 0.522 nan 8.230 nan 0.000 0.534 692 Q N -0.332 119.459 119.800 -0.015 0.000 2.297 692 Q HA 0.041 4.381 4.340 -0.000 0.000 0.203 692 Q C 2.230 178.194 176.000 -0.061 0.000 0.931 692 Q CA 0.521 56.302 55.803 -0.036 0.000 0.885 692 Q CB -0.000 28.725 28.738 -0.021 0.000 0.991 692 Q HN 0.563 nan 8.270 nan 0.000 0.498 693 R N -0.442 120.026 120.500 -0.053 0.000 2.316 693 R HA 0.012 4.352 4.340 -0.000 0.000 0.202 693 R C 1.610 177.834 176.300 -0.128 0.000 1.029 693 R CA 0.747 56.807 56.100 -0.066 0.000 1.018 693 R CB 0.142 30.421 30.300 -0.035 0.000 0.888 693 R HN 0.207 nan 8.270 nan 0.000 0.471 694 A N -0.230 122.478 122.820 -0.187 0.000 1.909 694 A HA -0.034 4.286 4.320 -0.000 0.000 0.209 694 A C 2.088 179.464 177.584 -0.348 0.000 1.247 694 A CA 0.286 52.093 52.037 -0.383 0.000 0.660 694 A CB -0.538 18.098 19.000 -0.607 0.000 0.910 694 A HN 0.377 nan 8.150 nan 0.000 0.465 695 C N 0.340 119.503 119.300 -0.228 0.000 2.403 695 C HA -0.112 4.348 4.460 -0.000 0.000 0.282 695 C C 2.637 177.520 174.990 -0.179 0.000 1.297 695 C CA 1.452 60.360 59.018 -0.183 0.000 1.785 695 C CB -1.176 26.502 27.740 -0.103 0.000 1.963 695 C HN 0.574 nan 8.230 nan 0.000 0.507 696 K N 0.681 120.987 120.400 -0.157 0.000 1.991 696 K HA 0.031 4.351 4.320 -0.000 0.000 0.208 696 K C 1.674 178.188 176.600 -0.143 0.000 1.038 696 K CA 0.963 57.176 56.287 -0.123 0.000 0.943 696 K CB -0.418 32.029 32.500 -0.087 0.000 0.736 696 K HN 0.359 nan 8.250 nan 0.000 0.440 697 L N 1.049 122.181 121.223 -0.152 0.000 2.651 697 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 697 L C 2.103 178.849 176.870 -0.207 0.000 1.173 697 L CA 0.324 55.091 54.840 -0.121 0.000 0.843 697 L CB -0.400 41.612 42.059 -0.079 0.000 0.964 697 L HN 0.290 nan 8.230 nan 0.000 0.454 698 A N -0.374 122.217 122.820 -0.381 0.000 1.973 698 A HA 0.125 4.445 4.320 -0.000 0.000 0.210 698 A C 2.042 179.449 177.584 -0.294 0.000 1.200 698 A CA 0.388 52.039 52.037 -0.642 0.000 0.707 698 A CB -0.048 18.538 19.000 -0.690 0.000 0.862 698 A HN 0.322 nan 8.150 nan 0.000 0.461 699 I N -1.077 119.381 120.570 -0.187 0.000 3.030 699 I HA 0.017 4.187 4.170 -0.000 0.000 0.270 699 I C 2.391 178.466 176.117 -0.069 0.000 1.211 699 I CA 0.590 61.826 61.300 -0.106 0.000 1.479 699 I CB -0.038 37.910 38.000 -0.086 0.000 1.105 699 I HN 0.296 nan 8.210 nan 0.000 0.447 700 R N 0.970 121.428 120.500 -0.071 0.000 2.240 700 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 700 R C 1.931 178.220 176.300 -0.019 0.000 1.011 700 R CA 0.736 56.812 56.100 -0.039 0.000 1.007 700 R CB 0.159 30.436 30.300 -0.038 0.000 0.911 700 R HN 0.139 nan 8.270 nan 0.000 0.468 701 E N -0.137 120.053 120.200 -0.017 0.000 2.442 701 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 701 E C 1.055 177.673 176.600 0.030 0.000 1.030 701 E CA 0.387 56.806 56.400 0.032 0.000 0.869 701 E CB 0.424 30.193 29.700 0.115 0.000 0.857 701 E HN 0.227 nan 8.360 nan 0.000 0.505 702 S N -0.376 115.326 115.700 0.003 0.000 2.452 702 S HA 0.129 4.598 4.470 -0.000 0.000 0.225 702 S C 1.982 176.583 174.600 0.001 0.000 1.057 702 S CA -0.051 58.152 58.200 0.006 0.000 0.949 702 S CB 0.024 63.220 63.200 -0.007 0.000 0.836 702 S HN 0.208 nan 8.310 nan 0.000 0.518 703 I N 1.871 122.437 120.570 -0.006 0.000 2.335 703 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 703 I C 1.641 177.757 176.117 -0.001 0.000 1.129 703 I CA 0.908 62.205 61.300 -0.005 0.000 1.402 703 I CB -0.389 37.605 38.000 -0.010 0.000 1.069 703 I HN 0.498 nan 8.210 nan 0.000 0.424 729 P HA 0.593 nan 4.420 nan 0.000 0.287 729 P C -0.301 177.012 177.300 0.022 0.000 1.307 729 P CA 0.278 63.383 63.100 0.008 0.000 0.777 729 P CB 1.986 33.685 31.700 -0.002 0.000 0.883 736 F N 1.957 121.992 119.950 0.141 0.000 2.298 736 F HA 0.115 4.642 4.527 -0.000 0.000 0.282 736 F C 2.190 178.015 175.800 0.042 0.000 1.045 736 F CA 0.667 58.710 58.000 0.072 0.000 1.280 736 F CB -0.134 38.900 39.000 0.056 0.000 1.114 736 F HN 0.024 nan 8.300 nan 0.000 0.546 737 E N 0.361 120.704 120.200 0.238 0.000 2.187 737 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 737 E C 1.939 178.588 176.600 0.082 0.000 1.004 737 E CA 1.365 57.840 56.400 0.125 0.000 0.813 737 E CB -0.208 29.544 29.700 0.086 0.000 0.736 737 E HN 0.258 nan 8.360 nan 0.000 0.468 738 E N 0.481 120.723 120.200 0.071 0.000 2.152 738 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 738 E C 1.928 178.547 176.600 0.031 0.000 0.983 738 E CA 0.951 57.375 56.400 0.040 0.000 0.818 738 E CB 0.024 29.742 29.700 0.030 0.000 0.758 738 E HN 0.252 nan 8.360 nan 0.000 0.467 739 A N 1.223 124.064 122.820 0.035 0.000 1.854 739 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 739 A C 1.570 179.178 177.584 0.041 0.000 1.192 739 A CA 0.536 52.589 52.037 0.027 0.000 0.611 739 A CB -0.323 18.690 19.000 0.021 0.000 0.832 739 A HN 0.167 nan 8.150 nan 0.000 0.442 757 M N 0.229 119.912 119.600 0.139 0.000 2.108 757 M HA -0.108 4.372 4.480 -0.000 0.000 0.257 757 M C 1.891 178.164 176.300 -0.045 0.000 1.071 757 M CA 1.662 56.980 55.300 0.030 0.000 1.093 757 M CB -1.008 31.567 32.600 -0.041 0.000 1.345 757 M HN 0.027 nan 8.290 nan 0.000 0.403 758 F N 0.150 120.021 119.950 -0.132 0.000 2.187 758 F HA 0.235 4.762 4.527 -0.000 0.000 0.295 758 F C 2.020 177.690 175.800 -0.216 0.000 1.091 758 F CA -0.009 57.884 58.000 -0.179 0.000 1.308 758 F CB -1.663 37.197 39.000 -0.234 0.000 1.030 758 F HN 0.065 nan 8.300 nan 0.000 0.487 759 A N 0.000 122.789 122.820 -0.052 0.000 2.254 759 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 759 A CA 0.000 51.954 52.037 -0.138 0.000 0.836 759 A CB 0.000 18.900 19.000 -0.167 0.000 0.831 759 A HN 0.000 nan 8.150 nan 0.000 0.486