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 3e76_1_E DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 2.941 125.758 122.820 -0.004 0.000 2.477 3 A HA 0.579 4.899 4.320 -0.000 0.000 0.246 3 A C 0.266 177.846 177.584 -0.007 0.000 1.078 3 A CA 0.300 52.337 52.037 -0.000 0.000 0.770 3 A CB 0.138 19.140 19.000 0.004 0.000 1.011 3 A HN 0.624 nan 8.150 nan 0.000 0.494 4 K N 1.385 121.785 120.400 -0.001 0.000 2.281 4 K HA 0.440 4.760 4.320 -0.000 0.000 0.242 4 K C -1.430 175.178 176.600 0.014 0.000 0.971 4 K CA -0.717 55.564 56.287 -0.009 0.000 0.834 4 K CB 2.075 34.568 32.500 -0.012 0.000 1.181 4 K HN 0.754 nan 8.250 nan 0.000 0.435 5 D N 0.965 121.374 120.400 0.016 0.000 2.278 5 D HA 0.397 5.037 4.640 -0.000 0.000 0.245 5 D C -1.345 175.050 176.300 0.159 0.000 1.052 5 D CA -0.605 53.455 54.000 0.100 0.000 0.834 5 D CB 1.480 42.372 40.800 0.153 0.000 1.194 5 D HN 0.070 nan 8.370 nan 0.000 0.481 6 V N 4.179 124.163 119.914 0.117 0.000 2.483 6 V HA 0.435 4.555 4.120 -0.000 0.000 0.297 6 V C -0.047 175.926 176.094 -0.201 0.000 1.027 6 V CA -0.814 61.463 62.300 -0.038 0.000 0.855 6 V CB 1.773 33.500 31.823 -0.160 0.000 0.995 6 V HN 0.408 nan 8.190 nan 0.000 0.424 7 K N 3.787 123.988 120.400 -0.331 0.000 2.259 7 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 7 K C -1.567 174.709 176.600 -0.540 0.000 0.936 7 K CA -0.491 55.523 56.287 -0.454 0.000 0.810 7 K CB 2.302 34.380 32.500 -0.703 0.000 1.143 7 K HN 0.444 nan 8.250 nan 0.000 0.427 8 F N 0.384 120.290 119.950 -0.073 0.000 2.522 8 F HA 0.418 4.945 4.527 -0.000 0.000 0.324 8 F C 1.218 176.990 175.800 -0.048 0.000 1.077 8 F CA 0.104 58.081 58.000 -0.039 0.000 0.944 8 F CB 1.763 40.749 39.000 -0.022 0.000 1.175 8 F HN 0.840 nan 8.300 nan 0.000 0.468 9 G N 2.485 111.391 108.800 0.176 0.000 2.611 9 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.301 9 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.301 9 G C 1.274 176.195 174.900 0.035 0.000 1.233 9 G CA 0.676 45.831 45.100 0.092 0.000 0.993 9 G HN 0.685 nan 8.290 nan 0.000 0.553 10 N N 0.756 119.470 118.700 0.023 0.000 2.104 10 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 10 N C 1.868 177.367 175.510 -0.019 0.000 1.024 10 N CA 2.006 55.058 53.050 0.003 0.000 0.853 10 N CB -0.418 38.071 38.487 0.003 0.000 1.008 10 N HN 0.594 nan 8.380 nan 0.000 0.424 11 D N 0.347 120.731 120.400 -0.027 0.000 2.149 11 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 11 D C 1.535 177.754 176.300 -0.134 0.000 0.990 11 D CA 1.159 55.115 54.000 -0.073 0.000 0.839 11 D CB 0.090 40.847 40.800 -0.071 0.000 0.948 11 D HN 0.342 nan 8.370 nan 0.000 0.460 12 A N 0.459 123.205 122.820 -0.122 0.000 1.970 12 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 12 A C 2.306 179.844 177.584 -0.076 0.000 1.170 12 A CA 0.749 52.687 52.037 -0.164 0.000 0.645 12 A CB -0.232 18.697 19.000 -0.119 0.000 0.816 12 A HN 0.139 nan 8.150 nan 0.000 0.447 13 R N -0.243 120.235 120.500 -0.036 0.000 2.075 13 R HA -0.070 4.270 4.340 -0.000 0.000 0.226 13 R C 2.083 178.378 176.300 -0.009 0.000 1.114 13 R CA 1.401 57.496 56.100 -0.008 0.000 0.972 13 R CB -0.566 29.735 30.300 0.002 0.000 0.869 13 R HN 0.526 nan 8.270 nan 0.000 0.437 14 V N -0.260 119.641 119.914 -0.022 0.000 2.568 14 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 14 V C 1.684 177.772 176.094 -0.011 0.000 1.072 14 V CA 1.501 63.792 62.300 -0.016 0.000 1.084 14 V CB -0.403 31.407 31.823 -0.021 0.000 0.676 14 V HN 0.116 nan 8.190 nan 0.000 0.469 15 K N -0.184 120.203 120.400 -0.021 0.000 2.155 15 K HA 0.124 4.444 4.320 -0.000 0.000 0.203 15 K C 2.112 178.742 176.600 0.050 0.000 1.052 15 K CA 1.541 57.836 56.287 0.013 0.000 0.948 15 K CB -0.295 32.203 32.500 -0.004 0.000 0.728 15 K HN 0.515 nan 8.250 nan 0.000 0.448 16 M N 0.326 119.951 119.600 0.043 0.000 2.077 16 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 16 M C 2.248 178.567 176.300 0.031 0.000 1.070 16 M CA 1.096 56.424 55.300 0.046 0.000 1.125 16 M CB -0.289 32.336 32.600 0.041 0.000 1.339 16 M HN 0.019 nan 8.290 nan 0.000 0.409 17 L N 0.524 121.760 121.223 0.021 0.000 2.012 17 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 17 L C 2.461 179.341 176.870 0.017 0.000 1.073 17 L CA 1.960 56.810 54.840 0.017 0.000 0.748 17 L CB -0.586 41.480 42.059 0.011 0.000 0.891 17 L HN 0.166 nan 8.230 nan 0.000 0.431 18 R N -0.396 120.115 120.500 0.017 0.000 2.105 18 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 18 R C 2.125 178.439 176.300 0.022 0.000 1.135 18 R CA 1.666 57.776 56.100 0.018 0.000 0.967 18 R CB -1.015 29.296 30.300 0.018 0.000 0.861 18 R HN 0.519 nan 8.270 nan 0.000 0.442 19 G N -0.290 108.527 108.800 0.030 0.000 2.394 19 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 19 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 19 G C 1.420 176.333 174.900 0.023 0.000 1.176 19 G CA 0.886 46.005 45.100 0.030 0.000 0.786 19 G HN 0.329 nan 8.290 nan 0.000 0.533 20 V N -0.344 119.583 119.914 0.022 0.000 2.427 20 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 20 V C 2.271 178.373 176.094 0.014 0.000 1.051 20 V CA 2.055 64.365 62.300 0.018 0.000 1.048 20 V CB -0.731 31.104 31.823 0.019 0.000 0.666 20 V HN 0.153 nan 8.190 nan 0.000 0.456 21 N N 0.974 119.683 118.700 0.014 0.000 2.223 21 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 21 N C 1.714 177.229 175.510 0.010 0.000 1.016 21 N CA 1.650 54.707 53.050 0.011 0.000 0.863 21 N CB -0.579 37.914 38.487 0.010 0.000 0.983 21 N HN 0.516 nan 8.380 nan 0.000 0.429 22 V N 1.051 120.971 119.914 0.011 0.000 2.270 22 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 22 V C 2.363 178.462 176.094 0.008 0.000 1.043 22 V CA 1.080 63.385 62.300 0.009 0.000 1.014 22 V CB -0.554 31.276 31.823 0.011 0.000 0.645 22 V HN 0.229 nan 8.190 nan 0.000 0.447 23 L N -0.015 121.213 121.223 0.008 0.000 2.046 23 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 23 L C 2.490 179.363 176.870 0.005 0.000 1.077 23 L CA 1.857 56.700 54.840 0.006 0.000 0.747 23 L CB -0.485 41.578 42.059 0.006 0.000 0.896 23 L HN 0.311 nan 8.230 nan 0.000 0.432 24 A N -0.436 122.389 122.820 0.007 0.000 1.855 24 A HA -0.238 4.082 4.320 -0.000 0.000 0.215 24 A C 1.867 179.454 177.584 0.005 0.000 1.191 24 A CA 1.952 53.992 52.037 0.006 0.000 0.613 24 A CB -0.790 18.215 19.000 0.008 0.000 0.829 24 A HN 0.482 nan 8.150 nan 0.000 0.442 25 D N 0.068 120.471 120.400 0.005 0.000 2.218 25 D HA 0.005 4.645 4.640 -0.000 0.000 0.204 25 D C 1.969 178.271 176.300 0.003 0.000 0.976 25 D CA 1.314 55.317 54.000 0.004 0.000 0.853 25 D CB -0.274 40.528 40.800 0.004 0.000 0.939 25 D HN 0.446 nan 8.370 nan 0.000 0.481 26 A N -0.103 122.719 122.820 0.003 0.000 2.067 26 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 26 A C 2.215 179.799 177.584 0.000 0.000 1.156 26 A CA 0.670 52.708 52.037 0.002 0.000 0.683 26 A CB 0.046 19.047 19.000 0.002 0.000 0.808 26 A HN 0.162 nan 8.150 nan 0.000 0.455 27 V N 0.434 120.348 119.914 0.000 0.000 2.788 27 V HA -0.108 4.011 4.120 -0.000 0.000 0.241 27 V C 2.289 178.383 176.094 -0.000 0.000 1.083 27 V CA 1.524 63.823 62.300 -0.001 0.000 1.103 27 V CB -0.277 31.544 31.823 -0.002 0.000 0.800 27 V HN 0.775 nan 8.190 nan 0.000 0.476 28 K N 1.891 122.292 120.400 0.001 0.000 2.360 28 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 28 K C 1.678 178.279 176.600 0.001 0.000 1.046 28 K CA 1.823 58.111 56.287 0.002 0.000 0.945 28 K CB -0.618 31.884 32.500 0.003 0.000 0.750 28 K HN 0.492 nan 8.250 nan 0.000 0.464 29 V N -0.480 119.435 119.914 0.001 0.000 3.217 29 V HA -0.066 4.054 4.120 -0.000 0.000 0.264 29 V C 1.802 177.897 176.094 0.000 0.000 1.135 29 V CA 1.346 63.646 62.300 0.001 0.000 1.142 29 V CB -0.824 30.999 31.823 0.000 0.000 0.754 29 V HN 0.520 nan 8.190 nan 0.000 0.484 30 T N -2.257 112.296 114.554 -0.001 0.000 3.186 30 T HA 0.414 4.764 4.350 -0.000 0.000 0.257 30 T C 0.123 174.822 174.700 -0.002 0.000 1.029 30 T CA -0.298 61.801 62.100 -0.002 0.000 0.916 30 T CB 0.009 68.875 68.868 -0.004 0.000 1.041 30 T HN 0.289 nan 8.240 nan 0.000 0.562 31 L N 2.290 123.513 121.223 0.000 0.000 2.395 31 L HA 0.675 5.015 4.340 -0.000 0.000 0.269 31 L C 0.874 177.746 176.870 0.003 0.000 1.133 31 L CA 1.500 56.341 54.840 0.002 0.000 0.812 31 L CB 0.175 42.236 42.059 0.004 0.000 1.125 31 L HN 0.653 nan 8.230 nan 0.000 0.452 32 G N 4.341 113.143 108.800 0.003 0.000 2.741 32 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.222 32 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.222 32 G C -2.173 172.726 174.900 -0.003 0.000 1.364 32 G CA -0.149 44.953 45.100 0.003 0.000 0.866 32 G HN 0.643 nan 8.290 nan 0.000 0.555 33 P HA 0.225 nan 4.420 nan 0.000 0.245 33 P C 0.926 178.221 177.300 -0.008 0.000 1.199 33 P CA 0.605 63.698 63.100 -0.012 0.000 0.807 33 P CB 0.336 32.022 31.700 -0.022 0.000 1.002 34 K N 0.845 121.245 120.400 -0.001 0.000 2.520 34 K HA 0.248 4.568 4.320 -0.000 0.000 0.205 34 K C 1.084 177.686 176.600 0.004 0.000 1.035 34 K CA -0.082 56.207 56.287 0.003 0.000 1.188 34 K CB -0.227 32.282 32.500 0.015 0.000 0.894 34 K HN 0.100 nan 8.250 nan 0.000 0.497 35 G N 1.198 109.999 108.800 0.001 0.000 2.594 35 G HA2 0.108 4.068 3.960 -0.000 0.000 0.243 35 G HA3 0.108 4.068 3.960 -0.000 0.000 0.243 35 G C 0.068 174.967 174.900 -0.001 0.000 1.229 35 G CA -0.438 44.662 45.100 0.000 0.000 0.843 35 G HN 0.090 nan 8.290 nan 0.000 0.578 36 R N 0.408 120.907 120.500 -0.001 0.000 2.643 36 R HA 0.311 4.651 4.340 -0.000 0.000 0.272 36 R C -0.261 176.038 176.300 -0.002 0.000 0.995 36 R CA -1.022 55.078 56.100 -0.001 0.000 1.032 36 R CB 0.699 30.999 30.300 -0.000 0.000 1.126 36 R HN 0.487 nan 8.270 nan 0.000 0.505 37 N N 0.309 119.008 118.700 -0.002 0.000 2.514 37 N HA 0.198 4.938 4.740 -0.000 0.000 0.277 37 N C -0.736 174.773 175.510 -0.001 0.000 1.126 37 N CA -0.186 52.863 53.050 -0.002 0.000 0.978 37 N CB 1.517 40.004 38.487 -0.002 0.000 1.106 37 N HN 0.124 nan 8.380 nan 0.000 0.461 38 V N 2.446 122.359 119.914 -0.001 0.000 2.448 38 V HA 0.299 4.419 4.120 -0.000 0.000 0.295 38 V C 0.013 176.107 176.094 -0.000 0.000 1.025 38 V CA -0.814 61.485 62.300 -0.001 0.000 0.859 38 V CB 1.914 33.736 31.823 -0.001 0.000 0.988 38 V HN 0.284 nan 8.190 nan 0.000 0.431 39 V N 6.772 126.687 119.914 0.001 0.000 2.407 39 V HA 0.465 4.585 4.120 -0.000 0.000 0.278 39 V C -0.154 175.942 176.094 0.003 0.000 1.037 39 V CA -0.424 61.877 62.300 0.002 0.000 0.900 39 V CB 1.324 33.148 31.823 0.002 0.000 0.983 39 V HN 0.613 nan 8.190 nan 0.000 0.459 40 L N 3.772 124.997 121.223 0.004 0.000 2.313 40 L HA 0.539 4.879 4.340 -0.000 0.000 0.283 40 L C -0.281 176.594 176.870 0.010 0.000 1.013 40 L CA -0.560 54.283 54.840 0.006 0.000 0.816 40 L CB 1.759 43.822 42.059 0.006 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.419 41 D N 2.951 123.357 120.400 0.009 0.000 2.345 41 D HA 0.301 4.941 4.640 -0.000 0.000 0.247 41 D C -0.671 175.641 176.300 0.019 0.000 1.108 41 D CA 0.127 54.133 54.000 0.011 0.000 0.894 41 D CB 0.978 41.781 40.800 0.004 0.000 1.203 41 D HN 0.337 nan 8.370 nan 0.000 0.430 42 K N 0.789 121.206 120.400 0.027 0.000 2.375 42 K HA 0.247 4.567 4.320 -0.000 0.000 0.249 42 K C 0.957 177.580 176.600 0.038 0.000 0.942 42 K CA -0.622 55.694 56.287 0.049 0.000 0.806 42 K CB 1.810 34.354 32.500 0.073 0.000 1.227 42 K HN 0.436 nan 8.250 nan 0.000 0.430 43 S N 1.348 117.073 115.700 0.041 0.000 2.368 43 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 43 S C 0.594 175.119 174.600 -0.125 0.000 1.030 43 S CA 0.777 58.944 58.200 -0.056 0.000 0.999 43 S CB -0.278 62.870 63.200 -0.087 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.349 123.296 119.950 -0.005 0.000 2.404 44 F HA 0.564 5.091 4.527 0.000 0.000 0.359 44 F C 1.605 177.402 175.800 -0.005 0.000 1.134 44 F CA 0.458 58.455 58.000 -0.005 0.000 1.160 44 F CB 0.478 39.475 39.000 -0.005 0.000 1.186 44 F HN 0.535 nan 8.300 nan 0.000 0.526 45 G N 2.327 111.193 108.800 0.110 0.000 2.574 45 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.286 45 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.286 45 G C 0.023 174.952 174.900 0.048 0.000 1.212 45 G CA -0.451 44.694 45.100 0.075 0.000 0.979 45 G HN 1.040 nan 8.290 nan 0.000 0.557 46 A N 1.665 124.511 122.820 0.044 0.000 2.445 46 A HA 0.645 4.965 4.320 -0.000 0.000 0.242 46 A C -1.321 176.280 177.584 0.028 0.000 1.075 46 A CA 0.264 52.318 52.037 0.028 0.000 0.777 46 A CB -0.190 18.824 19.000 0.023 0.000 1.013 46 A HN 0.711 nan 8.150 nan 0.000 0.493 47 P HA 0.333 nan 4.420 nan 0.000 0.274 47 P C -0.473 176.836 177.300 0.014 0.000 1.237 47 P CA -0.140 62.970 63.100 0.016 0.000 0.793 47 P CB 0.577 32.282 31.700 0.010 0.000 0.977 48 T N 2.167 116.729 114.554 0.013 0.000 2.743 48 T HA 0.464 4.814 4.350 -0.000 0.000 0.293 48 T C 0.334 175.037 174.700 0.005 0.000 0.945 48 T CA -0.229 61.877 62.100 0.009 0.000 1.030 48 T CB -0.181 68.693 68.868 0.009 0.000 0.912 48 T HN 0.173 nan 8.240 nan 0.000 0.483 49 I N 2.992 123.564 120.570 0.003 0.000 2.312 49 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 49 I C 0.571 176.687 176.117 -0.001 0.000 1.008 49 I CA -0.359 60.942 61.300 0.001 0.000 1.226 49 I CB 1.412 39.413 38.000 0.001 0.000 1.371 49 I HN 0.506 nan 8.210 nan 0.000 0.468 50 T N 4.103 118.656 114.554 -0.002 0.000 2.868 50 T HA 0.393 4.743 4.350 -0.000 0.000 0.306 50 T C 0.221 174.918 174.700 -0.005 0.000 1.224 50 T CA -0.583 61.514 62.100 -0.004 0.000 1.012 50 T CB 1.809 70.674 68.868 -0.005 0.000 1.221 50 T HN 0.653 nan 8.240 nan 0.000 0.499 51 K N 0.672 121.068 120.400 -0.007 0.000 2.373 51 K HA 0.169 4.489 4.320 -0.000 0.000 0.200 51 K C -0.293 176.302 176.600 -0.010 0.000 1.054 51 K CA -0.181 56.102 56.287 -0.007 0.000 1.065 51 K CB 0.367 32.863 32.500 -0.007 0.000 0.886 51 K HN 0.490 nan 8.250 nan 0.000 0.546 52 D N 0.771 121.164 120.400 -0.012 0.000 2.349 52 D HA 0.001 4.641 4.640 -0.000 0.000 0.266 52 D C 1.219 177.510 176.300 -0.016 0.000 1.293 52 D CA 0.131 54.121 54.000 -0.017 0.000 0.926 52 D CB 0.990 41.778 40.800 -0.019 0.000 1.090 52 D HN 0.230 nan 8.370 nan 0.000 0.502 53 G N 2.576 111.366 108.800 -0.017 0.000 2.479 53 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 53 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 53 G C 1.428 176.317 174.900 -0.019 0.000 1.115 53 G CA 0.826 45.917 45.100 -0.015 0.000 0.757 53 G HN 0.488 nan 8.290 nan 0.000 0.560 54 V N 0.767 120.666 119.914 -0.024 0.000 2.323 54 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 54 V C 2.962 179.044 176.094 -0.021 0.000 1.041 54 V CA 2.036 64.319 62.300 -0.028 0.000 1.025 54 V CB -0.744 31.057 31.823 -0.036 0.000 0.656 54 V HN 0.321 nan 8.190 nan 0.000 0.451 55 S N 0.261 115.950 115.700 -0.018 0.000 2.382 55 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 55 S C 2.007 176.602 174.600 -0.009 0.000 1.027 55 S CA 1.466 59.658 58.200 -0.013 0.000 0.991 55 S CB -0.198 62.995 63.200 -0.012 0.000 0.823 55 S HN 0.390 nan 8.310 nan 0.000 0.469 56 V N 1.782 121.691 119.914 -0.009 0.000 2.323 56 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 56 V C 2.643 178.733 176.094 -0.006 0.000 1.041 56 V CA 1.541 63.837 62.300 -0.006 0.000 1.025 56 V CB -1.206 30.614 31.823 -0.005 0.000 0.656 56 V HN 0.521 nan 8.190 nan 0.000 0.451 57 A N 0.029 122.844 122.820 -0.009 0.000 1.883 57 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 57 A C 2.372 179.951 177.584 -0.008 0.000 1.186 57 A CA 1.842 53.873 52.037 -0.009 0.000 0.624 57 A CB -0.575 18.416 19.000 -0.014 0.000 0.822 57 A HN 0.454 nan 8.150 nan 0.000 0.444 58 R N -0.578 119.916 120.500 -0.010 0.000 2.139 58 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 58 R C 1.747 178.045 176.300 -0.003 0.000 1.145 58 R CA 1.430 57.525 56.100 -0.008 0.000 0.976 58 R CB -0.235 30.059 30.300 -0.009 0.000 0.866 58 R HN 0.522 nan 8.270 nan 0.000 0.449 59 E N 0.224 120.423 120.200 -0.001 0.000 2.285 59 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 59 E C 0.597 177.198 176.600 0.002 0.000 0.997 59 E CA 0.289 56.690 56.400 0.002 0.000 0.845 59 E CB 0.134 29.836 29.700 0.003 0.000 0.782 59 E HN 0.169 nan 8.360 nan 0.000 0.491 60 I N 1.963 122.533 120.570 0.001 0.000 2.533 60 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 60 I C 0.416 176.534 176.117 0.001 0.000 1.109 60 I CA 0.440 61.740 61.300 0.001 0.000 1.412 60 I CB 0.077 38.078 38.000 0.002 0.000 1.396 60 I HN -0.013 nan 8.210 nan 0.000 0.543 61 E N 6.966 127.167 120.200 0.001 0.000 2.428 61 E HA 0.360 4.710 4.350 -0.000 0.000 0.307 61 E C -1.680 174.920 176.600 0.000 0.000 0.902 61 E CA -0.500 55.900 56.400 -0.000 0.000 0.799 61 E CB 1.378 31.077 29.700 -0.002 0.000 1.351 61 E HN 0.460 nan 8.360 nan 0.000 0.392 62 L N 3.133 124.357 121.223 0.001 0.000 2.439 62 L HA 0.324 4.664 4.340 -0.000 0.000 0.259 62 L C 1.703 178.574 176.870 0.002 0.000 1.129 62 L CA -0.095 54.748 54.840 0.005 0.000 0.803 62 L CB 0.916 42.983 42.059 0.013 0.000 1.161 62 L HN 0.724 nan 8.230 nan 0.000 0.462 63 E N 0.479 120.683 120.200 0.006 0.000 2.021 63 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 63 E C 0.128 176.733 176.600 0.007 0.000 0.980 63 E CA 0.412 56.815 56.400 0.004 0.000 0.803 63 E CB 0.203 29.908 29.700 0.008 0.000 0.766 63 E HN 0.707 nan 8.360 nan 0.000 0.449 64 D N 0.730 121.145 120.400 0.025 0.000 2.412 64 D HA -0.063 4.577 4.640 -0.000 0.000 0.257 64 D C 0.948 177.268 176.300 0.033 0.000 1.217 64 D CA 0.077 54.108 54.000 0.051 0.000 0.897 64 D CB 0.708 41.559 40.800 0.084 0.000 1.132 64 D HN -0.056 nan 8.370 nan 0.000 0.493 65 K N 3.275 123.659 120.400 -0.027 0.000 2.074 65 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 65 K C 1.627 178.114 176.600 -0.189 0.000 1.048 65 K CA 1.251 57.444 56.287 -0.155 0.000 0.926 65 K CB -0.301 32.028 32.500 -0.285 0.000 0.713 65 K HN 0.554 nan 8.250 nan 0.000 0.444 66 F N 1.497 121.436 119.950 -0.019 0.000 2.113 66 F HA -0.103 4.424 4.527 0.000 0.000 0.297 66 F C 2.405 178.196 175.800 -0.015 0.000 1.103 66 F CA 1.152 59.139 58.000 -0.022 0.000 1.248 66 F CB -0.400 38.584 39.000 -0.027 0.000 0.999 66 F HN 0.125 nan 8.300 nan 0.000 0.475 67 E N -0.001 120.303 120.200 0.174 0.000 2.085 67 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 67 E C 1.898 178.529 176.600 0.051 0.000 0.994 67 E CA 1.377 57.832 56.400 0.092 0.000 0.801 67 E CB -0.396 29.346 29.700 0.069 0.000 0.743 67 E HN 0.307 nan 8.360 nan 0.000 0.453 68 N N 0.806 119.523 118.700 0.027 0.000 2.104 68 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 68 N C 1.747 177.256 175.510 -0.001 0.000 1.024 68 N CA 1.533 54.584 53.050 0.002 0.000 0.853 68 N CB -0.062 38.412 38.487 -0.022 0.000 1.008 68 N HN 0.083 nan 8.380 nan 0.000 0.424 69 M N -0.509 119.087 119.600 -0.006 0.000 2.065 69 M HA -0.072 4.408 4.480 -0.000 0.000 0.259 69 M C 2.240 178.552 176.300 0.020 0.000 1.069 69 M CA 1.895 57.193 55.300 -0.003 0.000 1.110 69 M CB -0.859 31.736 32.600 -0.007 0.000 1.328 69 M HN 0.349 nan 8.290 nan 0.000 0.405 70 G N 0.015 108.839 108.800 0.040 0.000 2.514 70 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 70 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 70 G C 1.609 176.524 174.900 0.025 0.000 1.198 70 G CA 1.387 46.510 45.100 0.037 0.000 0.780 70 G HN 0.569 nan 8.290 nan 0.000 0.565 71 A N -0.321 122.512 122.820 0.022 0.000 1.892 71 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 71 A C 2.364 179.954 177.584 0.009 0.000 1.188 71 A CA 2.172 54.218 52.037 0.014 0.000 0.631 71 A CB -0.454 18.553 19.000 0.012 0.000 0.822 71 A HN 0.363 nan 8.150 nan 0.000 0.447 72 Q N -1.137 118.666 119.800 0.006 0.000 2.364 72 Q HA -0.021 4.319 4.340 -0.000 0.000 0.207 72 Q C 2.047 178.049 176.000 0.005 0.000 0.970 72 Q CA 1.017 56.821 55.803 0.002 0.000 0.888 72 Q CB -0.275 28.460 28.738 -0.005 0.000 0.951 72 Q HN 0.793 nan 8.270 nan 0.000 0.469 73 M N -0.245 119.362 119.600 0.011 0.000 2.123 73 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 73 M C 2.179 178.490 176.300 0.019 0.000 1.069 73 M CA 1.290 56.599 55.300 0.016 0.000 1.133 73 M CB -0.128 32.485 32.600 0.021 0.000 1.356 73 M HN 0.118 nan 8.290 nan 0.000 0.415 74 V N -2.224 117.700 119.914 0.018 0.000 2.809 74 V HA -0.133 3.987 4.120 -0.000 0.000 0.256 74 V C 1.951 178.050 176.094 0.008 0.000 1.080 74 V CA 1.450 63.761 62.300 0.018 0.000 1.102 74 V CB -0.967 30.867 31.823 0.018 0.000 0.705 74 V HN 0.416 nan 8.190 nan 0.000 0.475 75 K N 0.076 120.478 120.400 0.002 0.000 2.097 75 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 75 K C 2.264 178.855 176.600 -0.016 0.000 1.050 75 K CA 1.439 57.721 56.287 -0.007 0.000 0.938 75 K CB -0.120 32.376 32.500 -0.006 0.000 0.718 75 K HN 0.472 nan 8.250 nan 0.000 0.442 76 E N 0.418 120.613 120.200 -0.008 0.000 2.333 76 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 76 E C 1.750 178.334 176.600 -0.027 0.000 1.007 76 E CA 0.840 57.233 56.400 -0.011 0.000 0.845 76 E CB 0.248 29.953 29.700 0.007 0.000 0.766 76 E HN 0.167 nan 8.360 nan 0.000 0.507 77 V N 0.380 120.284 119.914 -0.018 0.000 2.374 77 V HA -0.058 4.062 4.120 -0.000 0.000 0.241 77 V C 2.493 178.520 176.094 -0.111 0.000 1.034 77 V CA 1.238 63.519 62.300 -0.031 0.000 1.037 77 V CB -1.057 30.791 31.823 0.042 0.000 0.682 77 V HN 0.171 nan 8.190 nan 0.000 0.463 78 A N 1.782 124.563 122.820 -0.064 0.000 1.896 78 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 78 A C 2.553 180.073 177.584 -0.107 0.000 1.206 78 A CA 3.212 55.206 52.037 -0.071 0.000 0.647 78 A CB -1.124 17.852 19.000 -0.040 0.000 0.828 78 A HN 0.741 nan 8.150 nan 0.000 0.455 79 S N -0.734 114.907 115.700 -0.098 0.000 2.402 79 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 79 S C 1.802 176.307 174.600 -0.159 0.000 1.021 79 S CA 1.441 59.581 58.200 -0.101 0.000 0.974 79 S CB -0.262 62.898 63.200 -0.066 0.000 0.800 79 S HN 0.620 nan 8.310 nan 0.000 0.484 80 K N 1.085 121.337 120.400 -0.247 0.000 2.186 80 K HA 0.265 4.585 4.320 -0.000 0.000 0.202 80 K C 2.476 178.686 176.600 -0.651 0.000 1.052 80 K CA 0.754 56.789 56.287 -0.419 0.000 0.965 80 K CB -0.358 31.857 32.500 -0.476 0.000 0.746 80 K HN 0.470 nan 8.250 nan 0.000 0.457 81 A N 1.774 124.247 122.820 -0.577 0.000 1.902 81 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 81 A C 1.870 179.341 177.584 -0.188 0.000 1.181 81 A CA 1.876 53.688 52.037 -0.375 0.000 0.623 81 A CB -0.633 18.256 19.000 -0.185 0.000 0.818 81 A HN 0.291 nan 8.150 nan 0.000 0.443 82 N N 0.199 118.804 118.700 -0.159 0.000 2.223 82 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 82 N C 1.033 176.490 175.510 -0.090 0.000 1.016 82 N CA 1.721 54.708 53.050 -0.106 0.000 0.863 82 N CB -0.207 38.224 38.487 -0.095 0.000 0.983 82 N HN 0.415 nan 8.380 nan 0.000 0.429 83 D N -0.610 119.722 120.400 -0.113 0.000 2.183 83 D HA 0.009 4.649 4.640 -0.000 0.000 0.203 83 D C 1.625 177.909 176.300 -0.026 0.000 0.969 83 D CA 0.955 54.914 54.000 -0.069 0.000 0.842 83 D CB -0.233 40.516 40.800 -0.085 0.000 0.957 83 D HN 0.415 nan 8.370 nan 0.000 0.484 84 A N 0.408 123.204 122.820 -0.040 0.000 1.903 84 A HA 0.292 4.612 4.320 -0.000 0.000 0.213 84 A C 2.034 179.653 177.584 0.060 0.000 1.185 84 A CA 1.768 53.829 52.037 0.040 0.000 0.628 84 A CB 0.019 19.087 19.000 0.112 0.000 0.830 84 A HN 0.234 nan 8.150 nan 0.000 0.446 85 A N -3.599 119.247 122.820 0.044 0.000 1.975 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.197 85 A C 1.800 179.433 177.584 0.082 0.000 1.537 85 A CA 1.107 53.189 52.037 0.075 0.000 0.972 85 A CB -0.161 18.873 19.000 0.057 0.000 1.019 85 A HN 1.847 nan 8.150 nan 0.000 0.488 86 G N -0.678 108.116 108.800 -0.011 0.000 2.213 86 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.226 86 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.226 86 G C -0.110 174.740 174.900 -0.083 0.000 0.992 86 G CA 0.562 45.598 45.100 -0.107 0.000 0.632 86 G HN 0.815 nan 8.290 nan 0.000 0.511 87 D N -1.161 119.220 120.400 -0.031 0.000 2.423 87 D HA 0.593 5.233 4.640 -0.000 0.000 0.235 87 D C 1.021 177.314 176.300 -0.013 0.000 1.011 87 D CA 0.770 54.758 54.000 -0.020 0.000 0.963 87 D CB 1.007 41.808 40.800 0.002 0.000 1.349 87 D HN 1.355 nan 8.370 nan 0.000 0.508 88 G N 0.675 109.470 108.800 -0.009 0.000 2.160 88 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 88 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 88 G C 0.914 175.809 174.900 -0.008 0.000 1.022 88 G CA 1.106 46.206 45.100 -0.001 0.000 0.741 88 G HN 0.732 nan 8.290 nan 0.000 0.508 89 T N -3.517 111.024 114.554 -0.022 0.000 2.896 89 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 89 T C 2.268 176.958 174.700 -0.017 0.000 1.050 89 T CA 2.299 64.381 62.100 -0.031 0.000 1.140 89 T CB -0.371 68.472 68.868 -0.042 0.000 0.877 89 T HN 0.309 nan 8.240 nan 0.000 0.457 90 T N 2.352 116.899 114.554 -0.012 0.000 2.812 90 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 90 T C 2.239 176.940 174.700 0.002 0.000 1.042 90 T CA 1.722 63.819 62.100 -0.005 0.000 1.140 90 T CB -0.860 68.005 68.868 -0.005 0.000 0.870 90 T HN 0.561 nan 8.240 nan 0.000 0.445 91 T N 2.107 116.664 114.554 0.005 0.000 2.833 91 T HA 0.039 4.389 4.350 -0.000 0.000 0.269 91 T C 2.426 177.137 174.700 0.019 0.000 1.054 91 T CA 0.954 63.061 62.100 0.013 0.000 1.135 91 T CB -0.492 68.385 68.868 0.016 0.000 0.869 91 T HN 0.427 nan 8.240 nan 0.000 0.466 92 A N 1.826 124.658 122.820 0.019 0.000 1.873 92 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 92 A C 2.591 180.191 177.584 0.026 0.000 1.186 92 A CA 1.926 53.982 52.037 0.031 0.000 0.616 92 A CB -1.295 17.721 19.000 0.026 0.000 0.823 92 A HN 0.462 nan 8.150 nan 0.000 0.442 93 T N 0.099 114.662 114.554 0.014 0.000 2.821 93 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 93 T C 1.948 176.656 174.700 0.014 0.000 1.046 93 T CA 1.749 63.857 62.100 0.012 0.000 1.139 93 T CB -0.633 68.238 68.868 0.004 0.000 0.871 93 T HN 0.601 nan 8.240 nan 0.000 0.454 94 V N -0.147 119.775 119.914 0.013 0.000 2.667 94 V HA 0.025 4.145 4.120 -0.000 0.000 0.252 94 V C 2.199 178.302 176.094 0.016 0.000 1.065 94 V CA 1.208 63.516 62.300 0.013 0.000 1.083 94 V CB -1.054 30.775 31.823 0.011 0.000 0.692 94 V HN 0.383 nan 8.190 nan 0.000 0.468 95 L N 0.649 121.885 121.223 0.021 0.000 2.023 95 L HA 0.054 4.394 4.340 -0.000 0.000 0.205 95 L C 3.078 179.963 176.870 0.025 0.000 1.073 95 L CA 1.606 56.460 54.840 0.024 0.000 0.745 95 L CB -0.909 41.168 42.059 0.030 0.000 0.900 95 L HN 0.378 nan 8.230 nan 0.000 0.435 96 A N -0.521 122.317 122.820 0.029 0.000 1.892 96 A HA -0.339 3.981 4.320 -0.000 0.000 0.218 96 A C 2.251 179.848 177.584 0.023 0.000 1.188 96 A CA 2.243 54.298 52.037 0.030 0.000 0.631 96 A CB -0.773 18.247 19.000 0.033 0.000 0.822 96 A HN 0.528 nan 8.150 nan 0.000 0.447 97 Q N -0.766 119.045 119.800 0.019 0.000 2.061 97 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 97 Q C 2.226 178.235 176.000 0.014 0.000 0.984 97 Q CA 1.764 57.577 55.803 0.016 0.000 0.846 97 Q CB -0.341 28.405 28.738 0.013 0.000 0.902 97 Q HN 0.626 nan 8.270 nan 0.000 0.421 98 A N 0.355 123.184 122.820 0.014 0.000 2.015 98 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 98 A C 1.883 179.475 177.584 0.013 0.000 1.163 98 A CA 1.109 53.154 52.037 0.013 0.000 0.646 98 A CB -0.453 18.554 19.000 0.013 0.000 0.806 98 A HN 0.469 nan 8.150 nan 0.000 0.448 99 I N -0.860 119.720 120.570 0.016 0.000 2.333 99 I HA -0.133 4.037 4.170 -0.000 0.000 0.246 99 I C 2.190 178.316 176.117 0.015 0.000 1.106 99 I CA 0.847 62.156 61.300 0.015 0.000 1.411 99 I CB -0.279 37.732 38.000 0.017 0.000 1.082 99 I HN 0.230 nan 8.210 nan 0.000 0.420 100 I N 0.669 121.248 120.570 0.016 0.000 2.202 100 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 100 I C 2.575 178.700 176.117 0.013 0.000 1.091 100 I CA 1.601 62.910 61.300 0.016 0.000 1.368 100 I CB -0.577 37.433 38.000 0.018 0.000 1.058 100 I HN 0.224 nan 8.210 nan 0.000 0.410 101 T N 0.057 114.619 114.554 0.012 0.000 2.684 101 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 101 T C 1.775 176.480 174.700 0.009 0.000 1.036 101 T CA 1.215 63.321 62.100 0.010 0.000 1.148 101 T CB -0.204 68.669 68.868 0.009 0.000 0.863 101 T HN 0.268 nan 8.240 nan 0.000 0.436 102 E N 0.731 120.936 120.200 0.009 0.000 2.158 102 E HA 0.055 4.405 4.350 -0.000 0.000 0.191 102 E C 2.534 179.139 176.600 0.008 0.000 0.982 102 E CA 0.788 57.193 56.400 0.008 0.000 0.823 102 E CB -0.728 28.977 29.700 0.008 0.000 0.766 102 E HN 0.571 nan 8.360 nan 0.000 0.468 103 G N 1.553 110.359 108.800 0.010 0.000 2.453 103 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 103 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 103 G C 1.714 176.620 174.900 0.010 0.000 1.201 103 G CA 0.473 45.578 45.100 0.010 0.000 0.784 103 G HN 0.178 nan 8.290 nan 0.000 0.545 104 L N 0.042 121.271 121.223 0.010 0.000 2.127 104 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 104 L C 2.920 179.794 176.870 0.007 0.000 1.089 104 L CA 1.119 55.964 54.840 0.009 0.000 0.757 104 L CB -0.332 41.733 42.059 0.010 0.000 0.899 104 L HN 0.203 nan 8.230 nan 0.000 0.434 105 K N 0.065 120.469 120.400 0.007 0.000 2.063 105 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 105 K C 2.205 178.808 176.600 0.005 0.000 1.048 105 K CA 1.511 57.801 56.287 0.005 0.000 0.928 105 K CB -0.171 32.332 32.500 0.005 0.000 0.713 105 K HN 0.325 nan 8.250 nan 0.000 0.442 106 A N 0.593 123.417 122.820 0.006 0.000 1.929 106 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 106 A C 2.252 179.839 177.584 0.006 0.000 1.176 106 A CA 1.137 53.178 52.037 0.006 0.000 0.628 106 A CB -0.377 18.627 19.000 0.006 0.000 0.816 106 A HN 0.081 nan 8.150 nan 0.000 0.444 107 V N -0.057 119.861 119.914 0.007 0.000 2.358 107 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 107 V C 2.963 179.062 176.094 0.007 0.000 1.047 107 V CA 1.845 64.150 62.300 0.008 0.000 1.035 107 V CB -1.353 30.476 31.823 0.010 0.000 0.658 107 V HN 0.560 nan 8.190 nan 0.000 0.452 108 A N 0.060 122.883 122.820 0.006 0.000 2.015 108 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 108 A C 2.342 179.928 177.584 0.003 0.000 1.163 108 A CA 1.656 53.695 52.037 0.004 0.000 0.646 108 A CB -0.580 18.422 19.000 0.003 0.000 0.806 108 A HN 0.571 nan 8.150 nan 0.000 0.448 109 A N -1.453 121.369 122.820 0.003 0.000 2.066 109 A HA 0.375 4.695 4.320 -0.000 0.000 0.218 109 A C 1.624 179.210 177.584 0.003 0.000 1.157 109 A CA 1.448 53.486 52.037 0.003 0.000 0.670 109 A CB -0.664 18.337 19.000 0.003 0.000 0.804 109 A HN 1.885 nan 8.150 nan 0.000 0.453 110 G N -1.600 107.202 108.800 0.003 0.000 2.468 110 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.143 110 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.143 110 G C -0.278 174.624 174.900 0.003 0.000 1.065 110 G CA -0.031 45.071 45.100 0.003 0.000 0.776 110 G HN 0.283 nan 8.290 nan 0.000 0.486 111 M N -0.053 119.550 119.600 0.005 0.000 2.598 111 M HA 0.354 4.834 4.480 -0.000 0.000 0.317 111 M C 0.400 176.703 176.300 0.006 0.000 1.179 111 M CA -0.765 54.538 55.300 0.005 0.000 0.936 111 M CB 1.812 34.414 32.600 0.005 0.000 1.713 111 M HN 0.220 nan 8.290 nan 0.000 0.460 112 N N 1.961 120.664 118.700 0.006 0.000 2.431 112 N HA 0.104 4.844 4.740 -0.000 0.000 0.265 112 N C -1.997 173.517 175.510 0.008 0.000 1.184 112 N CA -1.326 51.728 53.050 0.007 0.000 0.943 112 N CB 0.973 39.463 38.487 0.005 0.000 1.080 112 N HN 0.274 nan 8.380 nan 0.000 0.477 113 P HA -0.174 nan 4.420 nan 0.000 0.217 113 P C 1.386 178.692 177.300 0.010 0.000 1.150 113 P CA 1.040 64.146 63.100 0.011 0.000 0.832 113 P CB 0.204 31.913 31.700 0.015 0.000 0.787 114 M N -0.653 118.953 119.600 0.010 0.000 2.213 114 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 114 M C 1.143 177.446 176.300 0.006 0.000 1.062 114 M CA 1.679 56.984 55.300 0.008 0.000 1.105 114 M CB -1.367 31.238 32.600 0.008 0.000 1.385 114 M HN -0.052 nan 8.290 nan 0.000 0.417 115 D N -0.029 120.374 120.400 0.005 0.000 2.194 115 D HA -0.009 4.631 4.640 -0.000 0.000 0.204 115 D C 2.186 178.489 176.300 0.004 0.000 0.964 115 D CA 0.772 54.775 54.000 0.004 0.000 0.846 115 D CB -0.048 40.754 40.800 0.004 0.000 0.962 115 D HN 0.317 nan 8.370 nan 0.000 0.490 116 L N 0.635 121.862 121.223 0.006 0.000 2.093 116 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 116 L C 2.469 179.342 176.870 0.006 0.000 1.085 116 L CA 0.942 55.786 54.840 0.006 0.000 0.755 116 L CB -0.198 41.866 42.059 0.007 0.000 0.904 116 L HN -0.042 nan 8.230 nan 0.000 0.435 117 K N 0.526 120.930 120.400 0.006 0.000 2.026 117 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 117 K C 2.279 178.880 176.600 0.002 0.000 1.048 117 K CA 1.367 57.657 56.287 0.005 0.000 0.929 117 K CB 0.015 32.518 32.500 0.005 0.000 0.713 117 K HN 0.185 nan 8.250 nan 0.000 0.439 118 R N -0.373 120.128 120.500 0.002 0.000 2.120 118 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 118 R C 2.437 178.737 176.300 -0.000 0.000 1.123 118 R CA 1.248 57.348 56.100 -0.000 0.000 0.975 118 R CB -0.437 29.863 30.300 0.000 0.000 0.866 118 R HN 0.387 nan 8.270 nan 0.000 0.446 119 G N 1.118 109.919 108.800 0.002 0.000 2.418 119 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G C 1.429 176.330 174.900 0.002 0.000 1.158 119 G CA 0.566 45.668 45.100 0.002 0.000 0.771 119 G HN 0.151 nan 8.290 nan 0.000 0.545 120 I N 0.861 121.433 120.570 0.002 0.000 2.142 120 I HA -0.122 4.048 4.170 -0.000 0.000 0.240 120 I C 2.305 178.421 176.117 -0.001 0.000 1.078 120 I CA 1.242 62.543 61.300 0.002 0.000 1.343 120 I CB -0.165 37.838 38.000 0.004 0.000 1.046 120 I HN 0.031 nan 8.210 nan 0.000 0.405 121 D N 0.717 121.115 120.400 -0.004 0.000 2.144 121 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 121 D C 2.084 178.379 176.300 -0.008 0.000 0.984 121 D CA 1.134 55.129 54.000 -0.009 0.000 0.834 121 D CB -0.154 40.639 40.800 -0.012 0.000 0.955 121 D HN 0.282 nan 8.370 nan 0.000 0.465 122 K N 0.577 120.974 120.400 -0.005 0.000 2.057 122 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 122 K C 2.004 178.603 176.600 -0.002 0.000 1.050 122 K CA 0.983 57.267 56.287 -0.004 0.000 0.935 122 K CB 0.049 32.548 32.500 -0.002 0.000 0.715 122 K HN -0.019 nan 8.250 nan 0.000 0.439 123 A N 0.595 123.415 122.820 -0.000 0.000 1.933 123 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 123 A C 2.171 179.756 177.584 0.001 0.000 1.175 123 A CA 1.424 53.462 52.037 0.002 0.000 0.628 123 A CB -0.455 18.548 19.000 0.004 0.000 0.814 123 A HN 0.167 nan 8.150 nan 0.000 0.444 124 V N -0.422 119.491 119.914 -0.002 0.000 2.323 124 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 124 V C 2.717 178.807 176.094 -0.007 0.000 1.041 124 V CA 2.365 64.662 62.300 -0.004 0.000 1.025 124 V CB -1.145 30.673 31.823 -0.010 0.000 0.656 124 V HN 0.601 nan 8.190 nan 0.000 0.451 125 T N 0.571 115.119 114.554 -0.010 0.000 2.803 125 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 125 T C 1.947 176.644 174.700 -0.004 0.000 1.052 125 T CA 1.542 63.636 62.100 -0.010 0.000 1.136 125 T CB -0.352 68.509 68.868 -0.011 0.000 0.864 125 T HN 0.551 nan 8.240 nan 0.000 0.467 126 A N 1.044 123.863 122.820 -0.002 0.000 1.970 126 A HA 0.416 4.736 4.320 -0.000 0.000 0.216 126 A C 2.582 180.168 177.584 0.004 0.000 1.170 126 A CA 1.300 53.338 52.037 0.002 0.000 0.645 126 A CB -0.785 18.216 19.000 0.003 0.000 0.816 126 A HN 0.488 nan 8.150 nan 0.000 0.447 127 A N -0.488 122.335 122.820 0.004 0.000 1.929 127 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 127 A C 2.137 179.726 177.584 0.008 0.000 1.176 127 A CA 1.532 53.574 52.037 0.008 0.000 0.628 127 A CB -0.728 18.277 19.000 0.009 0.000 0.816 127 A HN 0.323 nan 8.150 nan 0.000 0.444 128 V N -0.037 119.879 119.914 0.004 0.000 2.427 128 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 128 V C 2.566 178.663 176.094 0.006 0.000 1.051 128 V CA 2.310 64.612 62.300 0.004 0.000 1.048 128 V CB -0.613 31.208 31.823 -0.003 0.000 0.666 128 V HN 0.597 nan 8.190 nan 0.000 0.456 129 E N 0.349 120.552 120.200 0.004 0.000 2.106 129 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 129 E C 2.123 178.727 176.600 0.008 0.000 0.984 129 E CA 1.268 57.671 56.400 0.005 0.000 0.806 129 E CB -0.167 29.535 29.700 0.004 0.000 0.750 129 E HN 0.608 nan 8.360 nan 0.000 0.458 130 E N -0.680 119.526 120.200 0.009 0.000 2.208 130 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 130 E C 1.740 178.348 176.600 0.014 0.000 0.988 130 E CA 0.417 56.824 56.400 0.011 0.000 0.828 130 E CB -0.188 29.520 29.700 0.012 0.000 0.763 130 E HN 0.212 nan 8.360 nan 0.000 0.478 131 L N 0.690 121.922 121.223 0.014 0.000 2.109 131 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 131 L C 1.821 178.700 176.870 0.016 0.000 1.086 131 L CA 1.618 56.468 54.840 0.016 0.000 0.760 131 L CB -0.149 41.920 42.059 0.017 0.000 0.910 131 L HN -0.005 nan 8.230 nan 0.000 0.437 132 K N -0.980 119.428 120.400 0.013 0.000 2.147 132 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 132 K C 2.000 178.608 176.600 0.012 0.000 1.049 132 K CA 1.166 57.461 56.287 0.012 0.000 0.936 132 K CB -0.247 32.259 32.500 0.010 0.000 0.722 132 K HN 0.403 nan 8.250 nan 0.000 0.446 133 A N 1.003 123.831 122.820 0.013 0.000 1.968 133 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 133 A C 1.934 179.527 177.584 0.015 0.000 1.169 133 A CA 0.801 52.846 52.037 0.013 0.000 0.638 133 A CB -0.264 18.743 19.000 0.012 0.000 0.812 133 A HN 0.208 nan 8.150 nan 0.000 0.446 134 L N -0.448 120.785 121.223 0.017 0.000 2.492 134 L HA 0.063 4.403 4.340 -0.000 0.000 0.223 134 L C 1.105 177.987 176.870 0.020 0.000 1.132 134 L CA 0.086 54.938 54.840 0.020 0.000 0.850 134 L CB 0.010 42.082 42.059 0.023 0.000 0.966 134 L HN 0.352 nan 8.230 nan 0.000 0.454 135 S N -0.323 115.387 115.700 0.018 0.000 2.549 135 S HA 0.178 4.648 4.470 -0.000 0.000 0.279 135 S C -0.197 174.412 174.600 0.015 0.000 1.321 135 S CA -0.485 57.725 58.200 0.017 0.000 1.054 135 S CB 0.884 64.093 63.200 0.016 0.000 0.899 135 S HN 0.003 nan 8.310 nan 0.000 0.497 136 V N 8.585 128.508 119.914 0.015 0.000 2.311 136 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 136 V C -2.099 174.002 176.094 0.012 0.000 1.022 136 V CA -1.789 60.519 62.300 0.014 0.000 0.830 136 V CB 0.828 32.659 31.823 0.015 0.000 1.012 136 V HN 0.745 nan 8.190 nan 0.000 0.452 137 P HA 0.202 nan 4.420 nan 0.000 0.272 137 P C -0.598 176.707 177.300 0.007 0.000 1.223 137 P CA -0.367 62.738 63.100 0.008 0.000 0.784 137 P CB 0.496 32.200 31.700 0.007 0.000 0.923 138 C N 2.349 121.653 119.300 0.006 0.000 2.250 138 C HA 0.304 4.764 4.460 -0.000 0.000 0.319 138 C C 1.621 176.612 174.990 0.002 0.000 1.124 138 C CA 0.265 59.285 59.018 0.004 0.000 1.527 138 C CB -0.723 27.020 27.740 0.004 0.000 2.001 138 C HN 0.590 nan 8.230 nan 0.000 0.435 139 S N 1.412 117.113 115.700 0.002 0.000 2.431 139 S HA 0.021 4.491 4.470 -0.000 0.000 0.210 139 S C 0.647 175.247 174.600 -0.000 0.000 1.013 139 S CA 0.291 58.491 58.200 0.001 0.000 0.920 139 S CB -0.141 63.060 63.200 0.002 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.948 122.348 120.400 0.000 0.000 2.362 140 D HA 0.062 4.702 4.640 -0.000 0.000 0.242 140 D C 0.719 177.019 176.300 -0.001 0.000 1.132 140 D CA 0.175 54.175 54.000 -0.000 0.000 0.907 140 D CB 0.837 41.637 40.800 0.000 0.000 1.195 140 D HN 0.276 nan 8.370 nan 0.000 0.429 141 S N 0.178 115.877 115.700 -0.002 0.000 2.603 141 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 141 S C 1.369 175.968 174.600 -0.001 0.000 0.972 141 S CA 0.319 58.518 58.200 -0.002 0.000 0.935 141 S CB -0.190 63.009 63.200 -0.003 0.000 0.769 141 S HN 0.586 nan 8.310 nan 0.000 0.536 142 K N 1.010 121.410 120.400 -0.000 0.000 2.166 142 K HA 0.301 4.621 4.320 -0.000 0.000 0.201 142 K C 2.135 178.736 176.600 0.001 0.000 1.052 142 K CA 0.746 57.033 56.287 0.000 0.000 0.969 142 K CB -0.323 32.177 32.500 0.000 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.726 123.547 122.820 0.001 0.000 2.067 143 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 143 A C 1.840 179.425 177.584 0.002 0.000 1.156 143 A CA 0.591 52.630 52.037 0.002 0.000 0.683 143 A CB -0.322 18.680 19.000 0.003 0.000 0.808 143 A HN 0.252 nan 8.150 nan 0.000 0.455 144 I N -0.295 120.276 120.570 0.001 0.000 2.315 144 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 144 I C 2.850 178.967 176.117 -0.000 0.000 1.117 144 I CA 0.956 62.256 61.300 -0.000 0.000 1.404 144 I CB -0.159 37.840 38.000 -0.002 0.000 1.071 144 I HN 0.339 nan 8.210 nan 0.000 0.419 145 A N 0.035 122.855 122.820 -0.000 0.000 1.969 145 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 145 A C 2.242 179.826 177.584 0.000 0.000 1.169 145 A CA 1.296 53.333 52.037 -0.000 0.000 0.635 145 A CB -0.461 18.538 19.000 -0.001 0.000 0.810 145 A HN 0.447 nan 8.150 nan 0.000 0.445 146 Q N -0.496 119.305 119.800 0.001 0.000 2.119 146 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 146 Q C 2.085 178.086 176.000 0.002 0.000 0.972 146 Q CA 1.616 57.420 55.803 0.001 0.000 0.847 146 Q CB -0.255 28.485 28.738 0.002 0.000 0.903 146 Q HN 0.539 nan 8.270 nan 0.000 0.433 147 V N -0.070 119.846 119.914 0.003 0.000 2.379 147 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 147 V C 2.181 178.278 176.094 0.005 0.000 1.044 147 V CA 1.849 64.152 62.300 0.005 0.000 1.036 147 V CB -0.951 30.876 31.823 0.006 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.416 108.386 108.800 0.004 0.000 2.471 148 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 148 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 148 G C 1.620 176.522 174.900 0.004 0.000 1.125 148 G CA 1.397 46.500 45.100 0.005 0.000 0.775 148 G HN 0.487 nan 8.290 nan 0.000 0.548 149 T N 1.302 115.857 114.554 0.002 0.000 2.770 149 T HA 0.018 4.368 4.350 -0.000 0.000 0.258 149 T C 2.362 177.061 174.700 -0.001 0.000 1.039 149 T CA 0.804 62.904 62.100 0.000 0.000 1.143 149 T CB -0.111 68.757 68.868 -0.001 0.000 0.866 149 T HN 0.267 nan 8.240 nan 0.000 0.428 150 I N 1.320 121.890 120.570 -0.001 0.000 2.546 150 I HA -0.048 4.122 4.170 -0.000 0.000 0.255 150 I C 2.353 178.469 176.117 -0.002 0.000 1.163 150 I CA 0.638 61.936 61.300 -0.003 0.000 1.457 150 I CB -0.300 37.698 38.000 -0.004 0.000 1.092 150 I HN 0.125 nan 8.210 nan 0.000 0.434 151 S N 0.848 116.549 115.700 0.002 0.000 2.461 151 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 151 S C 1.670 176.273 174.600 0.004 0.000 1.005 151 S CA 0.921 59.124 58.200 0.005 0.000 0.942 151 S CB -0.034 63.172 63.200 0.011 0.000 0.776 151 S HN 0.500 nan 8.310 nan 0.000 0.514 152 A N 1.477 124.298 122.820 0.002 0.000 2.708 152 A HA 0.464 4.784 4.320 -0.000 0.000 0.293 152 A C 0.431 178.014 177.584 -0.002 0.000 1.303 152 A CA -0.516 51.521 52.037 0.001 0.000 0.949 152 A CB -0.561 18.441 19.000 0.003 0.000 1.121 152 A HN 0.311 nan 8.150 nan 0.000 0.542 153 N N 0.206 118.903 118.700 -0.004 0.000 2.681 153 N HA -0.203 4.537 4.740 -0.000 0.000 0.259 153 N C 0.198 175.704 175.510 -0.007 0.000 1.066 153 N CA 1.028 54.074 53.050 -0.007 0.000 0.717 153 N CB -1.875 36.608 38.487 -0.007 0.000 0.885 153 N HN 0.546 nan 8.380 nan 0.000 0.547 154 S N -1.100 114.596 115.700 -0.007 0.000 3.533 154 S HA -0.239 4.231 4.470 -0.000 0.000 0.347 154 S C -0.328 174.269 174.600 -0.005 0.000 1.101 154 S CA 0.978 59.175 58.200 -0.006 0.000 1.009 154 S CB -0.805 62.390 63.200 -0.008 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.865 121.263 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 155 D C 0.983 177.282 176.300 -0.002 0.000 1.118 155 D CA -0.346 53.652 54.000 -0.003 0.000 0.844 155 D CB 0.768 41.566 40.800 -0.002 0.000 1.059 155 D HN 0.417 nan 8.370 nan 0.000 0.493 156 E N 1.166 121.365 120.200 -0.002 0.000 2.285 156 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 156 E C 1.317 177.916 176.600 -0.002 0.000 0.997 156 E CA 0.681 57.080 56.400 -0.002 0.000 0.845 156 E CB 0.429 30.128 29.700 -0.002 0.000 0.782 156 E HN 0.475 nan 8.360 nan 0.000 0.491 157 T N 0.566 115.119 114.554 -0.002 0.000 2.867 157 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 157 T C 2.113 176.812 174.700 -0.001 0.000 1.057 157 T CA 0.723 62.822 62.100 -0.002 0.000 1.136 157 T CB -0.062 68.805 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.673 121.586 119.914 -0.000 0.000 2.270 158 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 158 V C 2.953 179.047 176.094 0.000 0.000 1.043 158 V CA 1.943 64.243 62.300 0.001 0.000 1.014 158 V CB -1.408 30.416 31.823 0.002 0.000 0.645 158 V HN 0.564 nan 8.190 nan 0.000 0.447 159 G N -0.611 108.189 108.800 0.000 0.000 2.448 159 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 159 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 159 G C 1.642 176.542 174.900 -0.001 0.000 1.127 159 G CA 0.938 46.038 45.100 -0.000 0.000 0.766 159 G HN 0.483 nan 8.290 nan 0.000 0.552 160 K N -0.178 120.221 120.400 -0.002 0.000 2.097 160 K HA 0.123 4.443 4.320 -0.000 0.000 0.205 160 K C 2.417 179.016 176.600 -0.003 0.000 1.050 160 K CA 0.517 56.803 56.287 -0.002 0.000 0.938 160 K CB -0.183 32.316 32.500 -0.002 0.000 0.718 160 K HN 0.325 nan 8.250 nan 0.000 0.442 161 L N 0.743 121.964 121.223 -0.003 0.000 2.056 161 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 161 L C 2.255 179.122 176.870 -0.005 0.000 1.078 161 L CA 0.930 55.767 54.840 -0.004 0.000 0.749 161 L CB -0.258 41.799 42.059 -0.003 0.000 0.901 161 L HN 0.181 nan 8.230 nan 0.000 0.433 162 I N -0.195 120.372 120.570 -0.005 0.000 2.179 162 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 162 I C 2.793 178.905 176.117 -0.007 0.000 1.088 162 I CA 1.218 62.514 61.300 -0.007 0.000 1.357 162 I CB -0.564 37.433 38.000 -0.005 0.000 1.051 162 I HN 0.178 nan 8.210 nan 0.000 0.409 163 A N 0.336 123.152 122.820 -0.006 0.000 1.933 163 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 163 A C 2.250 179.831 177.584 -0.006 0.000 1.175 163 A CA 1.707 53.741 52.037 -0.005 0.000 0.628 163 A CB -0.557 18.441 19.000 -0.004 0.000 0.814 163 A HN 0.458 nan 8.150 nan 0.000 0.444 164 E N -0.582 119.614 120.200 -0.006 0.000 2.152 164 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 164 E C 2.258 178.854 176.600 -0.007 0.000 0.983 164 E CA 0.702 57.099 56.400 -0.006 0.000 0.818 164 E CB -0.182 29.515 29.700 -0.005 0.000 0.758 164 E HN 0.630 nan 8.360 nan 0.000 0.467 165 A N 0.896 123.711 122.820 -0.008 0.000 1.929 165 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 165 A C 2.072 179.649 177.584 -0.012 0.000 1.176 165 A CA 0.964 52.995 52.037 -0.010 0.000 0.628 165 A CB -0.261 18.732 19.000 -0.012 0.000 0.816 165 A HN 0.125 nan 8.150 nan 0.000 0.444 166 M N -1.053 118.540 119.600 -0.012 0.000 2.492 166 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 166 M C 1.223 177.517 176.300 -0.010 0.000 1.090 166 M CA 1.180 56.472 55.300 -0.012 0.000 1.110 166 M CB -0.294 32.298 32.600 -0.013 0.000 1.407 166 M HN 0.337 nan 8.290 nan 0.000 0.470 167 D N 0.393 120.788 120.400 -0.008 0.000 2.347 167 D HA -0.051 4.589 4.640 -0.000 0.000 0.213 167 D C 2.004 178.300 176.300 -0.007 0.000 0.985 167 D CA 0.805 54.801 54.000 -0.007 0.000 0.879 167 D CB 0.430 41.227 40.800 -0.006 0.000 0.919 167 D HN 0.034 nan 8.370 nan 0.000 0.526 168 K N -0.460 119.935 120.400 -0.008 0.000 2.121 168 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 168 K C 1.913 178.508 176.600 -0.008 0.000 1.041 168 K CA 0.886 57.168 56.287 -0.008 0.000 0.969 168 K CB 0.030 32.525 32.500 -0.008 0.000 0.799 168 K HN 0.162 nan 8.250 nan 0.000 0.456 169 V N -2.502 117.406 119.914 -0.010 0.000 3.471 169 V HA 0.354 4.474 4.120 -0.000 0.000 0.258 169 V C 0.839 176.926 176.094 -0.011 0.000 1.192 169 V CA 0.443 62.737 62.300 -0.010 0.000 1.116 169 V CB -0.278 31.538 31.823 -0.012 0.000 0.792 169 V HN 0.390 nan 8.190 nan 0.000 0.459 170 G N 0.934 109.727 108.800 -0.011 0.000 2.566 170 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.599 170 G C 0.005 174.897 174.900 -0.013 0.000 1.292 170 G CA 0.004 45.097 45.100 -0.011 0.000 0.922 170 G HN 0.268 nan 8.290 nan 0.000 0.514 171 K N 0.019 120.412 120.400 -0.012 0.000 2.228 171 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 171 K C 1.820 178.409 176.600 -0.017 0.000 1.051 171 K CA 1.413 57.692 56.287 -0.014 0.000 0.960 171 K CB 0.075 32.569 32.500 -0.011 0.000 0.743 171 K HN 0.467 nan 8.250 nan 0.000 0.458 172 E N 0.644 120.835 120.200 -0.015 0.000 2.447 172 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 172 E C 1.002 177.591 176.600 -0.017 0.000 1.028 172 E CA 0.068 56.459 56.400 -0.016 0.000 0.876 172 E CB 0.231 29.924 29.700 -0.013 0.000 0.885 172 E HN 0.234 nan 8.360 nan 0.000 0.500 173 G N 1.306 110.095 108.800 -0.017 0.000 2.664 173 G HA2 0.214 4.174 3.960 -0.000 0.000 0.242 173 G HA3 0.214 4.174 3.960 -0.000 0.000 0.242 173 G C 0.085 174.970 174.900 -0.024 0.000 1.225 173 G CA -0.434 44.656 45.100 -0.017 0.000 0.849 173 G HN -0.044 nan 8.290 nan 0.000 0.581 174 V N 1.188 121.089 119.914 -0.022 0.000 2.383 174 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 174 V C 0.145 176.221 176.094 -0.030 0.000 1.036 174 V CA -0.213 62.070 62.300 -0.029 0.000 0.889 174 V CB 0.822 32.630 31.823 -0.024 0.000 0.985 174 V HN 0.482 nan 8.190 nan 0.000 0.459 175 I N 4.245 124.791 120.570 -0.039 0.000 2.436 175 I HA 0.601 4.771 4.170 -0.000 0.000 0.289 175 I C -0.050 176.045 176.117 -0.035 0.000 1.010 175 I CA -0.101 61.178 61.300 -0.034 0.000 1.098 175 I CB 2.242 40.221 38.000 -0.035 0.000 1.266 175 I HN 0.561 nan 8.210 nan 0.000 0.434 176 T N 4.565 119.105 114.554 -0.025 0.000 2.900 176 T HA 0.596 4.946 4.350 -0.000 0.000 0.295 176 T C -0.601 174.092 174.700 -0.011 0.000 1.044 176 T CA -0.654 61.435 62.100 -0.019 0.000 0.995 176 T CB 2.507 71.364 68.868 -0.020 0.000 1.072 176 T HN 0.161 nan 8.240 nan 0.000 0.473 177 V N 2.872 122.784 119.914 -0.004 0.000 2.459 177 V HA 0.606 4.726 4.120 -0.000 0.000 0.295 177 V C -0.168 175.925 176.094 -0.001 0.000 1.029 177 V CA -0.631 61.668 62.300 -0.001 0.000 0.874 177 V CB 1.543 33.369 31.823 0.006 0.000 0.985 177 V HN 1.033 nan 8.190 nan 0.000 0.438 178 E N 2.496 122.694 120.200 -0.003 0.000 2.445 178 E HA 0.498 4.848 4.350 -0.000 0.000 0.273 178 E C -1.510 175.088 176.600 -0.004 0.000 0.961 178 E CA -1.125 55.273 56.400 -0.004 0.000 0.807 178 E CB 1.454 31.150 29.700 -0.007 0.000 1.362 178 E HN 0.449 nan 8.360 nan 0.000 0.453 179 D N 0.574 120.972 120.400 -0.005 0.000 2.443 179 D HA 0.154 4.794 4.640 -0.000 0.000 0.239 179 D C 0.169 176.466 176.300 -0.005 0.000 1.136 179 D CA 0.532 54.529 54.000 -0.005 0.000 0.879 179 D CB 1.070 41.866 40.800 -0.006 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.169 108.628 108.800 -0.005 0.000 2.537 180 G HA2 0.275 4.235 3.960 -0.000 0.000 0.273 180 G HA3 0.275 4.235 3.960 -0.000 0.000 0.273 180 G C 1.068 175.965 174.900 -0.005 0.000 1.189 180 G CA -0.232 44.865 45.100 -0.005 0.000 0.881 180 G HN 0.453 nan 8.290 nan 0.000 0.535 181 T N -2.262 112.289 114.554 -0.005 0.000 3.031 181 T HA 0.408 4.758 4.350 -0.000 0.000 0.254 181 T C 1.277 175.974 174.700 -0.005 0.000 1.060 181 T CA 1.131 63.227 62.100 -0.005 0.000 1.135 181 T CB 0.244 69.108 68.868 -0.006 0.000 0.896 181 T HN 0.994 nan 8.240 nan 0.000 0.472 182 G N 0.826 109.624 108.800 -0.004 0.000 3.319 182 G HA2 0.457 4.417 3.960 -0.000 0.000 0.158 182 G HA3 0.457 4.417 3.960 -0.000 0.000 0.158 182 G C -0.208 174.690 174.900 -0.003 0.000 1.205 182 G CA -0.009 45.089 45.100 -0.004 0.000 1.252 182 G HN 0.253 nan 8.290 nan 0.000 0.668 183 L N -0.065 121.156 121.223 -0.003 0.000 2.638 183 L HA 0.550 4.890 4.340 -0.000 0.000 0.232 183 L C 0.569 177.437 176.870 -0.003 0.000 1.099 183 L CA 0.541 55.379 54.840 -0.003 0.000 0.883 183 L CB 0.192 42.249 42.059 -0.003 0.000 1.136 183 L HN 0.406 nan 8.230 nan 0.000 0.492 184 Q N 0.105 119.903 119.800 -0.003 0.000 2.377 184 Q HA 0.284 4.624 4.340 -0.000 0.000 0.271 184 Q C -1.170 174.828 176.000 -0.003 0.000 1.077 184 Q CA -0.876 54.925 55.803 -0.003 0.000 0.820 184 Q CB 1.777 30.514 28.738 -0.003 0.000 1.347 184 Q HN 0.083 nan 8.270 nan 0.000 0.444 185 D N 2.714 123.112 120.400 -0.003 0.000 2.371 185 D HA 0.058 4.698 4.640 -0.000 0.000 0.256 185 D C -0.438 175.859 176.300 -0.004 0.000 1.193 185 D CA 0.590 54.589 54.000 -0.003 0.000 0.881 185 D CB 0.830 41.629 40.800 -0.003 0.000 1.143 185 D HN 0.334 nan 8.370 nan 0.000 0.473 186 E N 0.893 121.090 120.200 -0.004 0.000 2.212 186 E HA 0.562 4.912 4.350 -0.000 0.000 0.270 186 E C -0.716 175.880 176.600 -0.005 0.000 0.956 186 E CA -1.029 55.369 56.400 -0.005 0.000 0.825 186 E CB 2.298 31.995 29.700 -0.005 0.000 1.167 186 E HN 0.111 nan 8.360 nan 0.000 0.400 187 L N 2.713 123.933 121.223 -0.006 0.000 2.555 187 L HA 0.356 4.696 4.340 -0.000 0.000 0.264 187 L C -1.910 174.956 176.870 -0.006 0.000 0.972 187 L CA -0.271 54.565 54.840 -0.006 0.000 0.876 187 L CB 1.305 43.360 42.059 -0.006 0.000 1.216 187 L HN 0.384 nan 8.230 nan 0.000 0.415 188 D N 3.581 123.977 120.400 -0.007 0.000 2.433 188 D HA 0.554 5.194 4.640 -0.000 0.000 0.236 188 D C -0.877 175.419 176.300 -0.007 0.000 1.026 188 D CA -0.289 53.707 54.000 -0.007 0.000 0.884 188 D CB 2.967 43.763 40.800 -0.007 0.000 1.384 188 D HN 0.201 nan 8.370 nan 0.000 0.477 189 V N 1.506 121.415 119.914 -0.007 0.000 2.313 189 V HA 0.307 4.427 4.120 -0.000 0.000 0.278 189 V C 0.319 176.409 176.094 -0.006 0.000 1.017 189 V CA -0.699 61.597 62.300 -0.007 0.000 0.823 189 V CB 1.106 32.925 31.823 -0.006 0.000 1.010 189 V HN 0.418 nan 8.190 nan 0.000 0.443 190 V N 1.636 121.547 119.914 -0.006 0.000 2.850 190 V HA 0.647 4.767 4.120 -0.000 0.000 0.315 190 V C 0.087 176.179 176.094 -0.004 0.000 1.064 190 V CA -0.988 61.309 62.300 -0.006 0.000 0.979 190 V CB 1.929 33.747 31.823 -0.007 0.000 1.039 190 V HN 0.675 nan 8.190 nan 0.000 0.452 191 E N 2.342 122.541 120.200 -0.002 0.000 2.238 191 E HA 0.492 4.842 4.350 -0.000 0.000 0.264 191 E C 0.280 176.882 176.600 0.005 0.000 1.136 191 E CA 0.649 57.050 56.400 0.001 0.000 0.929 191 E CB 0.726 30.427 29.700 0.001 0.000 1.010 191 E HN 1.082 nan 8.360 nan 0.000 0.440 192 G N 1.699 110.504 108.800 0.008 0.000 2.721 192 G HA2 0.690 4.650 3.960 -0.000 0.000 0.296 192 G HA3 0.690 4.650 3.960 -0.000 0.000 0.296 192 G C -1.146 173.770 174.900 0.026 0.000 1.383 192 G CA -0.636 44.473 45.100 0.015 0.000 0.788 192 G HN 0.371 nan 8.290 nan 0.000 0.500 193 M N -0.046 119.579 119.600 0.043 0.000 2.520 193 M HA 0.498 4.978 4.480 -0.000 0.000 0.280 193 M C -2.077 174.267 176.300 0.074 0.000 1.232 193 M CA -0.628 54.714 55.300 0.070 0.000 0.892 193 M CB 2.703 35.368 32.600 0.108 0.000 1.728 193 M HN 0.631 nan 8.290 nan 0.000 0.475 194 Q N 3.570 123.412 119.800 0.069 0.000 2.323 194 Q HA 0.638 4.978 4.340 -0.000 0.000 0.271 194 Q C -2.106 173.943 176.000 0.082 0.000 1.048 194 Q CA -0.612 55.187 55.803 -0.007 0.000 0.792 194 Q CB 2.016 30.721 28.738 -0.055 0.000 1.280 194 Q HN 0.593 nan 8.270 nan 0.000 0.441 195 F N -0.093 119.852 119.950 -0.009 0.000 2.593 195 F HA 0.546 5.073 4.527 -0.000 0.000 0.320 195 F C -0.486 175.310 175.800 -0.006 0.000 1.060 195 F CA -1.220 56.777 58.000 -0.006 0.000 0.940 195 F CB 1.147 40.145 39.000 -0.004 0.000 1.268 195 F HN 0.352 nan 8.300 nan 0.000 0.475 196 D N 1.682 122.185 120.400 0.172 0.000 3.085 196 D HA 0.237 4.877 4.640 -0.000 0.000 0.243 196 D C -0.315 176.033 176.300 0.080 0.000 1.232 196 D CA 0.138 54.174 54.000 0.060 0.000 0.913 196 D CB -0.052 40.785 40.800 0.061 0.000 1.108 196 D HN 0.198 nan 8.370 nan 0.000 0.468 197 R N -0.138 120.399 120.500 0.062 0.000 2.854 197 R HA 0.807 5.147 4.340 -0.000 0.000 0.271 197 R C 0.443 176.699 176.300 -0.074 0.000 0.996 197 R CA -0.895 55.248 56.100 0.072 0.000 0.961 197 R CB 1.586 32.059 30.300 0.289 0.000 1.182 197 R HN 0.198 nan 8.270 nan 0.000 0.479 198 G N -0.065 108.683 108.800 -0.086 0.000 3.013 198 G HA2 0.471 4.431 3.960 -0.000 0.000 0.278 198 G HA3 0.471 4.431 3.960 -0.000 0.000 0.278 198 G C -1.088 173.732 174.900 -0.133 0.000 1.353 198 G CA -0.633 44.348 45.100 -0.199 0.000 1.043 198 G HN 0.457 nan 8.290 nan 0.000 0.523 199 Y N -0.696 119.590 120.300 -0.023 0.000 2.511 199 Y HA 0.438 4.988 4.550 -0.000 0.000 0.332 199 Y C 1.172 177.102 175.900 0.050 0.000 1.177 199 Y CA -0.989 57.097 58.100 -0.023 0.000 1.422 199 Y CB 0.654 39.134 38.460 0.033 0.000 1.271 199 Y HN 0.209 nan 8.280 nan 0.000 0.550 200 L N 1.728 123.106 121.223 0.258 0.000 2.240 200 L HA 0.042 4.382 4.340 -0.000 0.000 0.211 200 L C 0.294 177.385 176.870 0.368 0.000 1.106 200 L CA 1.025 56.019 54.840 0.255 0.000 0.793 200 L CB -0.075 42.110 42.059 0.209 0.000 0.927 200 L HN 0.678 nan 8.230 nan 0.000 0.446 201 S N -1.732 114.324 115.700 0.593 0.000 2.614 201 S HA 0.282 4.752 4.470 -0.000 0.000 0.275 201 S C -1.922 172.813 174.600 0.224 0.000 1.161 201 S CA -0.842 57.566 58.200 0.346 0.000 0.969 201 S CB 1.966 65.274 63.200 0.180 0.000 1.059 201 S HN -0.204 nan 8.310 nan 0.000 0.482 202 P HA -0.184 nan 4.420 nan 0.000 0.218 202 P C 0.684 177.722 177.300 -0.435 0.000 1.150 202 P CA 1.544 64.401 63.100 -0.405 0.000 0.841 202 P CB -0.177 31.289 31.700 -0.390 0.000 0.784 203 Y N -2.499 117.683 120.300 -0.197 0.000 2.751 203 Y HA -0.046 4.504 4.550 -0.000 0.000 0.310 203 Y C 1.805 177.512 175.900 -0.323 0.000 1.176 203 Y CA -0.128 57.818 58.100 -0.257 0.000 1.360 203 Y CB -1.102 37.198 38.460 -0.267 0.000 0.999 203 Y HN -0.116 nan 8.280 nan 0.000 0.532 204 F N 0.119 120.028 119.950 -0.068 0.000 2.615 204 F HA 0.052 4.579 4.527 0.000 0.000 0.297 204 F C 1.197 176.918 175.800 -0.131 0.000 1.124 204 F CA -0.704 57.251 58.000 -0.075 0.000 1.451 204 F CB -0.362 38.600 39.000 -0.063 0.000 1.103 204 F HN -0.059 nan 8.300 nan 0.000 0.569 205 I N 0.559 121.081 120.570 -0.080 0.000 2.662 205 I HA 0.012 4.182 4.170 -0.000 0.000 0.285 205 I C 0.364 176.461 176.117 -0.034 0.000 1.161 205 I CA 0.097 61.330 61.300 -0.112 0.000 1.415 205 I CB 0.321 38.206 38.000 -0.193 0.000 1.385 205 I HN 0.126 nan 8.210 nan 0.000 0.552 206 N N 3.900 122.591 118.700 -0.015 0.000 2.159 206 N HA 0.160 4.900 4.740 -0.000 0.000 0.217 206 N C -0.499 175.005 175.510 -0.011 0.000 1.223 206 N CA -0.319 52.729 53.050 -0.004 0.000 0.896 206 N CB 0.518 39.014 38.487 0.014 0.000 1.064 206 N HN 0.465 nan 8.380 nan 0.000 0.518 207 K N 1.309 121.699 120.400 -0.017 0.000 2.626 207 K HA 0.287 4.607 4.320 -0.000 0.000 0.223 207 K C -2.145 174.443 176.600 -0.020 0.000 0.992 207 K CA -1.487 54.791 56.287 -0.015 0.000 1.024 207 K CB 2.619 35.114 32.500 -0.008 0.000 1.225 207 K HN -0.042 nan 8.250 nan 0.000 0.498 208 P HA -0.096 nan 4.420 nan 0.000 0.219 208 P C 0.742 178.031 177.300 -0.019 0.000 1.150 208 P CA 0.999 64.085 63.100 -0.024 0.000 0.814 208 P CB 0.631 32.317 31.700 -0.022 0.000 0.787 209 E N -0.331 119.860 120.200 -0.016 0.000 2.409 209 E HA -0.070 4.280 4.350 -0.000 0.000 0.198 209 E C 1.279 177.870 176.600 -0.014 0.000 1.024 209 E CA 1.398 57.789 56.400 -0.015 0.000 0.861 209 E CB -0.451 29.242 29.700 -0.013 0.000 0.788 209 E HN 0.360 nan 8.360 nan 0.000 0.521 210 T N -4.489 110.058 114.554 -0.011 0.000 3.132 210 T HA 0.284 4.634 4.350 -0.000 0.000 0.274 210 T C 1.235 175.935 174.700 0.000 0.000 1.011 210 T CA 0.014 62.111 62.100 -0.006 0.000 0.899 210 T CB 0.606 69.476 68.868 0.003 0.000 1.089 210 T HN 0.110 nan 8.240 nan 0.000 0.543 211 G N 1.174 109.971 108.800 -0.005 0.000 2.422 211 G HA2 0.126 4.086 3.960 -0.000 0.000 0.301 211 G HA3 0.126 4.086 3.960 -0.000 0.000 0.301 211 G C 0.250 175.171 174.900 0.036 0.000 0.981 211 G CA 0.252 45.355 45.100 0.005 0.000 0.994 211 G HN 1.387 nan 8.290 nan 0.000 0.514 212 A N -1.841 120.987 122.820 0.013 0.000 2.588 212 A HA 0.890 5.210 4.320 -0.000 0.000 0.290 212 A C -0.624 176.954 177.584 -0.009 0.000 1.136 212 A CA -0.121 51.940 52.037 0.040 0.000 0.681 212 A CB 1.535 20.570 19.000 0.059 0.000 1.282 212 A HN 1.282 nan 8.150 nan 0.000 0.421 213 V N 0.633 120.557 119.914 0.018 0.000 2.459 213 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 213 V C -0.208 175.896 176.094 0.018 0.000 1.029 213 V CA -0.304 62.003 62.300 0.011 0.000 0.874 213 V CB 1.378 33.216 31.823 0.024 0.000 0.985 213 V HN 0.859 nan 8.190 nan 0.000 0.438 214 E N 4.165 124.372 120.200 0.012 0.000 2.460 214 E HA 0.446 4.796 4.350 -0.000 0.000 0.249 214 E C -1.501 175.102 176.600 0.004 0.000 0.962 214 E CA -0.464 55.939 56.400 0.005 0.000 0.787 214 E CB 1.317 31.018 29.700 0.002 0.000 1.341 214 E HN 0.638 nan 8.360 nan 0.000 0.407 215 L N 3.729 124.953 121.223 0.002 0.000 2.260 215 L HA 0.277 4.617 4.340 -0.000 0.000 0.289 215 L C 0.351 177.212 176.870 -0.015 0.000 1.057 215 L CA -0.438 54.403 54.840 0.001 0.000 0.811 215 L CB 0.934 42.997 42.059 0.006 0.000 1.184 215 L HN 0.361 nan 8.230 nan 0.000 0.429 216 E N 2.784 122.974 120.200 -0.017 0.000 2.166 216 E HA 0.055 4.405 4.350 -0.000 0.000 0.279 216 E C 0.106 176.674 176.600 -0.054 0.000 1.095 216 E CA -0.071 56.312 56.400 -0.030 0.000 0.888 216 E CB 0.989 30.676 29.700 -0.022 0.000 1.041 216 E HN 0.579 nan 8.360 nan 0.000 0.414 217 S N 2.894 118.550 115.700 -0.074 0.000 3.356 217 S HA -0.137 4.333 4.470 -0.000 0.000 0.376 217 S C -2.235 172.248 174.600 -0.195 0.000 0.924 217 S CA 0.148 58.270 58.200 -0.130 0.000 1.316 217 S CB -0.903 62.216 63.200 -0.134 0.000 0.922 217 S HN 0.415 nan 8.310 nan 0.000 0.553 218 P HA 0.617 nan 4.420 nan 0.000 0.283 218 P C -0.136 177.037 177.300 -0.211 0.000 1.271 218 P CA -0.850 62.168 63.100 -0.137 0.000 0.841 218 P CB 0.564 32.252 31.700 -0.020 0.000 1.122 219 F N 0.057 120.016 119.950 0.014 0.000 2.382 219 F HA 0.392 4.919 4.527 -0.000 0.000 0.331 219 F C 0.860 176.669 175.800 0.014 0.000 1.121 219 F CA -0.046 57.962 58.000 0.013 0.000 1.183 219 F CB 0.366 39.373 39.000 0.013 0.000 1.207 219 F HN 0.011 nan 8.300 nan 0.000 0.555 220 I N 3.673 124.369 120.570 0.210 0.000 2.410 220 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 220 I C -1.144 175.033 176.117 0.099 0.000 1.009 220 I CA -0.741 60.631 61.300 0.121 0.000 1.111 220 I CB 1.671 39.721 38.000 0.084 0.000 1.262 220 I HN 0.300 nan 8.210 nan 0.000 0.443 221 L N 8.029 129.296 121.223 0.072 0.000 2.275 221 L HA 0.562 4.902 4.340 -0.000 0.000 0.288 221 L C -1.076 175.810 176.870 0.027 0.000 1.046 221 L CA -0.013 54.853 54.840 0.044 0.000 0.805 221 L CB 0.899 42.978 42.059 0.033 0.000 1.193 221 L HN 0.486 nan 8.230 nan 0.000 0.426 222 L N 6.197 127.429 121.223 0.015 0.000 2.342 222 L HA 0.838 5.178 4.340 -0.000 0.000 0.276 222 L C -0.554 176.312 176.870 -0.007 0.000 0.997 222 L CA -0.314 54.525 54.840 -0.003 0.000 0.838 222 L CB 1.496 43.549 42.059 -0.010 0.000 1.224 222 L HN 0.797 nan 8.230 nan 0.000 0.416 223 A N 1.671 124.486 122.820 -0.009 0.000 2.437 223 A HA 0.446 4.766 4.320 -0.000 0.000 0.293 223 A C -1.155 176.423 177.584 -0.010 0.000 1.038 223 A CA -0.563 51.470 52.037 -0.007 0.000 0.708 223 A CB 1.468 20.468 19.000 0.000 0.000 1.251 223 A HN 0.623 nan 8.150 nan 0.000 0.409 224 D N 1.964 122.357 120.400 -0.012 0.000 2.619 224 D HA 0.389 5.029 4.640 -0.000 0.000 0.224 224 D C 0.020 176.320 176.300 -0.001 0.000 1.133 224 D CA 0.413 54.407 54.000 -0.011 0.000 1.017 224 D CB -0.350 40.440 40.800 -0.016 0.000 1.077 224 D HN 0.603 nan 8.370 nan 0.000 0.503 225 K N 0.010 120.412 120.400 0.005 0.000 2.575 225 K HA 0.447 4.767 4.320 -0.000 0.000 0.279 225 K C -1.091 175.519 176.600 0.016 0.000 0.969 225 K CA -1.166 55.127 56.287 0.011 0.000 0.868 225 K CB 0.944 33.450 32.500 0.009 0.000 1.457 225 K HN -0.251 nan 8.250 nan 0.000 0.426 226 K N 1.461 121.873 120.400 0.020 0.000 2.326 226 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 226 K C -0.826 175.789 176.600 0.025 0.000 1.018 226 K CA 0.037 56.339 56.287 0.025 0.000 0.962 226 K CB 0.541 33.056 32.500 0.025 0.000 0.953 226 K HN 0.507 nan 8.250 nan 0.000 0.475 227 I N 2.558 123.146 120.570 0.031 0.000 2.466 227 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 227 I C 0.078 176.218 176.117 0.038 0.000 1.033 227 I CA -0.099 61.221 61.300 0.032 0.000 1.123 227 I CB 1.906 39.927 38.000 0.035 0.000 1.237 227 I HN 0.570 nan 8.210 nan 0.000 0.460 228 S N 2.972 118.691 115.700 0.032 0.000 2.505 228 S HA 0.201 4.671 4.470 -0.000 0.000 0.216 228 S C 0.367 174.985 174.600 0.030 0.000 1.018 228 S CA -0.029 58.191 58.200 0.033 0.000 0.911 228 S CB 0.060 63.277 63.200 0.028 0.000 0.818 228 S HN 0.582 nan 8.310 nan 0.000 0.497 229 N N 1.288 120.004 118.700 0.026 0.000 2.444 229 N HA 0.395 5.135 4.740 -0.000 0.000 0.262 229 N C 0.033 175.557 175.510 0.024 0.000 0.974 229 N CA -0.192 52.871 53.050 0.022 0.000 0.933 229 N CB 1.237 39.735 38.487 0.017 0.000 1.137 229 N HN 0.047 nan 8.380 nan 0.000 0.498 230 I N 1.521 122.106 120.570 0.025 0.000 3.444 230 I HA 0.007 4.177 4.170 -0.000 0.000 0.287 230 I C 2.090 178.218 176.117 0.019 0.000 1.302 230 I CA 0.477 61.793 61.300 0.026 0.000 1.368 230 I CB 0.107 38.126 38.000 0.030 0.000 1.048 230 I HN 0.476 nan 8.210 nan 0.000 0.487 231 R N 0.809 121.318 120.500 0.015 0.000 2.115 231 R HA -0.177 4.163 4.340 -0.000 0.000 0.230 231 R C 1.800 178.105 176.300 0.008 0.000 1.111 231 R CA 1.629 57.735 56.100 0.010 0.000 0.976 231 R CB -0.009 30.296 30.300 0.009 0.000 0.870 231 R HN 0.481 nan 8.270 nan 0.000 0.445 232 E N -0.437 119.769 120.200 0.010 0.000 2.208 232 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 232 E C 1.752 178.356 176.600 0.007 0.000 0.988 232 E CA 0.743 57.148 56.400 0.008 0.000 0.828 232 E CB 0.092 29.797 29.700 0.009 0.000 0.763 232 E HN 0.307 nan 8.360 nan 0.000 0.478 233 M N 0.239 119.845 119.600 0.011 0.000 2.447 233 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 233 M C 2.110 178.412 176.300 0.005 0.000 1.095 233 M CA 0.791 56.097 55.300 0.011 0.000 1.125 233 M CB -0.330 32.284 32.600 0.022 0.000 1.389 233 M HN 0.169 nan 8.290 nan 0.000 0.459 234 L N 0.942 122.167 121.223 0.004 0.000 2.079 234 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 234 L C -0.407 176.458 176.870 -0.008 0.000 1.081 234 L CA 1.330 56.170 54.840 0.000 0.000 0.752 234 L CB -2.022 40.038 42.059 0.002 0.000 0.896 234 L HN 0.184 nan 8.230 nan 0.000 0.433 235 P HA -0.063 nan 4.420 nan 0.000 0.234 235 P C 1.380 178.661 177.300 -0.032 0.000 1.167 235 P CA 0.965 64.053 63.100 -0.020 0.000 0.763 235 P CB 0.289 31.978 31.700 -0.017 0.000 0.835 236 V N -0.716 119.181 119.914 -0.030 0.000 2.743 236 V HA 0.005 4.125 4.120 -0.000 0.000 0.237 236 V C 2.604 178.672 176.094 -0.043 0.000 1.113 236 V CA 0.622 62.894 62.300 -0.046 0.000 1.141 236 V CB -0.838 30.964 31.823 -0.035 0.000 0.873 236 V HN -0.058 nan 8.190 nan 0.000 0.486 237 L N 0.035 121.248 121.223 -0.017 0.000 2.093 237 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 237 L C 2.040 178.907 176.870 -0.006 0.000 1.085 237 L CA 1.490 56.329 54.840 -0.002 0.000 0.755 237 L CB -0.393 41.676 42.059 0.017 0.000 0.904 237 L HN 0.363 nan 8.230 nan 0.000 0.435 238 E N -0.338 119.855 120.200 -0.010 0.000 2.403 238 E HA 0.079 4.429 4.350 -0.000 0.000 0.187 238 E C 1.181 177.767 176.600 -0.022 0.000 1.073 238 E CA 0.354 56.748 56.400 -0.011 0.000 0.888 238 E CB 0.329 30.025 29.700 -0.007 0.000 1.035 238 E HN 0.447 nan 8.360 nan 0.000 0.471 239 A N -0.355 122.442 122.820 -0.038 0.000 2.377 239 A HA 0.114 4.434 4.320 -0.000 0.000 0.209 239 A C 1.733 179.260 177.584 -0.095 0.000 1.359 239 A CA -0.186 51.815 52.037 -0.060 0.000 1.026 239 A CB 0.439 19.398 19.000 -0.068 0.000 1.224 239 A HN 0.122 nan 8.150 nan 0.000 0.528 240 V N 0.401 120.258 119.914 -0.095 0.000 2.871 240 V HA -0.096 4.024 4.120 -0.000 0.000 0.256 240 V C 2.830 178.909 176.094 -0.026 0.000 1.082 240 V CA 1.568 63.793 62.300 -0.126 0.000 1.105 240 V CB -0.310 31.460 31.823 -0.090 0.000 0.713 240 V HN 0.581 nan 8.190 nan 0.000 0.473 241 A N -0.709 122.109 122.820 -0.003 0.000 1.986 241 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 241 A C 1.664 179.268 177.584 0.034 0.000 1.171 241 A CA 1.388 53.440 52.037 0.024 0.000 0.640 241 A CB -0.280 18.728 19.000 0.014 0.000 0.811 241 A HN 0.384 nan 8.150 nan 0.000 0.451 242 K N -2.343 118.064 120.400 0.012 0.000 2.156 242 K HA 0.333 4.653 4.320 -0.000 0.000 0.242 242 K C 1.423 178.071 176.600 0.079 0.000 1.033 242 K CA 0.703 57.005 56.287 0.025 0.000 0.878 242 K CB 0.221 32.719 32.500 -0.004 0.000 1.057 242 K HN 0.795 nan 8.250 nan 0.000 0.505 243 A N -0.351 122.522 122.820 0.088 0.000 1.467 243 A HA -0.294 4.026 4.320 -0.000 0.000 0.224 243 A C 1.199 178.848 177.584 0.108 0.000 0.387 243 A CA 3.073 55.190 52.037 0.132 0.000 1.098 243 A CB -1.983 17.180 19.000 0.271 0.000 1.464 243 A HN 1.488 nan 8.150 nan 0.000 0.719 244 G N -2.269 106.607 108.800 0.126 0.000 2.200 244 G HA2 0.117 4.077 3.960 -0.000 0.000 0.145 244 G HA3 0.117 4.077 3.960 -0.000 0.000 0.145 244 G C -0.216 174.741 174.900 0.096 0.000 1.021 244 G CA 0.806 45.958 45.100 0.087 0.000 0.720 244 G HN 1.051 nan 8.290 nan 0.000 0.494 245 K N 1.117 121.618 120.400 0.169 0.000 2.292 245 K HA 0.550 4.870 4.320 -0.000 0.000 0.257 245 K C -2.351 174.385 176.600 0.226 0.000 0.940 245 K CA -2.063 54.299 56.287 0.125 0.000 0.811 245 K CB 2.537 35.008 32.500 -0.049 0.000 1.120 245 K HN -0.019 nan 8.250 nan 0.000 0.428 246 P HA 0.009 nan 4.420 nan 0.000 0.281 246 P C -1.208 176.217 177.300 0.207 0.000 1.274 246 P CA -0.497 62.689 63.100 0.143 0.000 0.794 246 P CB 0.402 32.152 31.700 0.083 0.000 1.201 247 L N -0.672 120.644 121.223 0.154 0.000 2.445 247 L HA 0.603 4.942 4.340 -0.000 0.000 0.262 247 L C -1.731 175.194 176.870 0.092 0.000 0.974 247 L CA -0.852 54.084 54.840 0.159 0.000 0.822 247 L CB 1.682 43.823 42.059 0.137 0.000 1.339 247 L HN 0.102 nan 8.230 nan 0.000 0.409 248 L N 5.293 126.566 121.223 0.083 0.000 2.322 248 L HA 0.676 5.016 4.340 -0.000 0.000 0.281 248 L C -1.307 175.586 176.870 0.037 0.000 1.014 248 L CA -0.207 54.655 54.840 0.037 0.000 0.815 248 L CB 1.400 43.483 42.059 0.041 0.000 1.247 248 L HN 0.441 nan 8.230 nan 0.000 0.421 249 I N 7.190 127.763 120.570 0.004 0.000 2.330 249 I HA 0.317 4.487 4.170 -0.000 0.000 0.286 249 I C -0.357 175.769 176.117 0.015 0.000 1.025 249 I CA -0.242 61.066 61.300 0.013 0.000 1.197 249 I CB 0.978 38.983 38.000 0.010 0.000 1.358 249 I HN 0.550 nan 8.210 nan 0.000 0.467 250 I N 5.811 126.396 120.570 0.025 0.000 2.412 250 I HA 0.606 4.776 4.170 -0.000 0.000 0.279 250 I C 0.333 176.449 176.117 -0.002 0.000 1.063 250 I CA -0.305 61.007 61.300 0.019 0.000 1.193 250 I CB 1.087 39.095 38.000 0.013 0.000 1.370 250 I HN 0.568 nan 8.210 nan 0.000 0.479 251 A N 3.893 126.717 122.820 0.006 0.000 2.387 251 A HA 0.482 4.802 4.320 -0.000 0.000 0.303 251 A C 0.937 178.525 177.584 0.007 0.000 1.145 251 A CA -0.535 51.505 52.037 0.004 0.000 0.801 251 A CB 1.467 20.476 19.000 0.015 0.000 1.342 251 A HN 0.695 nan 8.150 nan 0.000 0.440 252 E N -0.437 119.768 120.200 0.008 0.000 2.068 252 E HA -0.234 4.116 4.350 -0.000 0.000 0.207 252 E C -0.209 176.408 176.600 0.028 0.000 1.032 252 E CA 2.249 58.659 56.400 0.016 0.000 0.839 252 E CB 0.095 29.806 29.700 0.019 0.000 0.758 252 E HN 0.656 nan 8.360 nan 0.000 0.457 253 D N -2.102 118.317 120.400 0.031 0.000 2.706 253 D HA 0.206 4.846 4.640 -0.000 0.000 0.225 253 D C -1.858 174.469 176.300 0.044 0.000 1.241 253 D CA -0.540 53.484 54.000 0.040 0.000 0.784 253 D CB 1.969 42.793 40.800 0.040 0.000 1.521 253 D HN -0.102 nan 8.370 nan 0.000 0.461 254 V N 2.863 122.811 119.914 0.057 0.000 2.417 254 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 254 V C 0.060 176.202 176.094 0.080 0.000 1.024 254 V CA -0.492 61.849 62.300 0.070 0.000 0.861 254 V CB 1.426 33.299 31.823 0.084 0.000 0.985 254 V HN 0.465 nan 8.190 nan 0.000 0.436 255 E N 2.212 122.454 120.200 0.071 0.000 2.359 255 E HA 0.642 4.992 4.350 -0.000 0.000 0.266 255 E C 1.001 177.639 176.600 0.062 0.000 0.920 255 E CA -0.307 56.131 56.400 0.064 0.000 0.788 255 E CB 2.074 31.803 29.700 0.048 0.000 1.279 255 E HN 0.738 nan 8.360 nan 0.000 0.438 256 G N 1.614 110.448 108.800 0.056 0.000 3.282 256 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.367 256 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.367 256 G C 1.105 176.031 174.900 0.045 0.000 1.377 256 G CA 1.393 46.520 45.100 0.045 0.000 1.254 256 G HN 0.647 nan 8.290 nan 0.000 0.717 257 E N 1.142 121.366 120.200 0.040 0.000 2.079 257 E HA 0.287 4.637 4.350 -0.000 0.000 0.191 257 E C 2.763 179.389 176.600 0.043 0.000 0.961 257 E CA 0.925 57.345 56.400 0.034 0.000 0.823 257 E CB -0.271 29.444 29.700 0.026 0.000 0.789 257 E HN 0.737 nan 8.360 nan 0.000 0.459 258 A N 1.176 124.025 122.820 0.049 0.000 2.264 258 A HA -0.038 4.282 4.320 -0.000 0.000 0.207 258 A C 1.828 179.465 177.584 0.089 0.000 1.196 258 A CA 0.586 52.658 52.037 0.059 0.000 0.778 258 A CB -0.336 18.696 19.000 0.053 0.000 0.779 258 A HN 0.312 nan 8.150 nan 0.000 0.483 259 L N -1.937 119.343 121.223 0.095 0.000 2.347 259 L HA 0.437 4.777 4.340 -0.000 0.000 0.196 259 L C 2.348 179.279 176.870 0.101 0.000 1.072 259 L CA 1.648 56.571 54.840 0.139 0.000 0.817 259 L CB -0.562 41.579 42.059 0.136 0.000 1.029 259 L HN 0.130 nan 8.230 nan 0.000 0.478 260 A N -1.080 121.775 122.820 0.058 0.000 2.066 260 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 260 A C 1.943 179.529 177.584 0.004 0.000 1.157 260 A CA 1.761 53.809 52.037 0.017 0.000 0.670 260 A CB -1.013 17.995 19.000 0.014 0.000 0.804 260 A HN 0.531 nan 8.150 nan 0.000 0.453 261 T N -0.371 114.199 114.554 0.026 0.000 3.081 261 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 261 T C 1.299 176.024 174.700 0.041 0.000 1.113 261 T CA 0.472 62.585 62.100 0.023 0.000 1.082 261 T CB -0.053 68.831 68.868 0.027 0.000 0.939 261 T HN 0.346 nan 8.240 nan 0.000 0.506 262 L N 0.147 121.413 121.223 0.073 0.000 2.616 262 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 262 L C 1.899 178.805 176.870 0.059 0.000 1.110 262 L CA 0.101 55.021 54.840 0.133 0.000 0.884 262 L CB 0.211 42.419 42.059 0.250 0.000 1.115 262 L HN 0.137 nan 8.230 nan 0.000 0.481 263 V N -1.057 118.810 119.914 -0.078 0.000 2.391 263 V HA -0.094 4.026 4.120 -0.000 0.000 0.237 263 V C 2.127 178.123 176.094 -0.163 0.000 1.046 263 V CA 0.916 63.061 62.300 -0.258 0.000 1.053 263 V CB 0.372 32.050 31.823 -0.242 0.000 0.704 263 V HN 0.082 nan 8.190 nan 0.000 0.475 264 V N 1.008 120.854 119.914 -0.114 0.000 3.078 264 V HA -0.174 3.946 4.120 -0.000 0.000 0.265 264 V C 1.928 177.983 176.094 -0.064 0.000 1.122 264 V CA 1.658 63.897 62.300 -0.102 0.000 1.141 264 V CB -1.151 30.620 31.823 -0.086 0.000 0.735 264 V HN 0.567 nan 8.190 nan 0.000 0.498 265 N N -0.458 118.219 118.700 -0.037 0.000 2.376 265 N HA -0.096 4.644 4.740 -0.000 0.000 0.177 265 N C 1.915 177.422 175.510 -0.005 0.000 1.024 265 N CA 1.399 54.442 53.050 -0.012 0.000 0.893 265 N CB 0.271 38.766 38.487 0.013 0.000 0.980 265 N HN 0.429 nan 8.380 nan 0.000 0.439 266 T N 0.120 114.667 114.554 -0.012 0.000 3.040 266 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 266 T C 1.766 176.446 174.700 -0.033 0.000 1.064 266 T CA -0.049 62.054 62.100 0.004 0.000 1.110 266 T CB 0.268 69.176 68.868 0.066 0.000 0.921 266 T HN 0.037 nan 8.240 nan 0.000 0.480 267 M N 0.438 119.989 119.600 -0.082 0.000 2.175 267 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 267 M C 2.385 178.637 176.300 -0.079 0.000 1.063 267 M CA 1.302 56.541 55.300 -0.102 0.000 1.119 267 M CB -0.050 32.444 32.600 -0.176 0.000 1.377 267 M HN 0.094 nan 8.290 nan 0.000 0.415 268 R N -0.721 119.738 120.500 -0.067 0.000 2.092 268 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 268 R C 1.343 177.623 176.300 -0.033 0.000 1.119 268 R CA 1.661 57.731 56.100 -0.050 0.000 0.970 268 R CB 0.045 30.320 30.300 -0.042 0.000 0.864 268 R HN 0.614 nan 8.270 nan 0.000 0.440 269 G N -0.245 108.542 108.800 -0.022 0.000 2.481 269 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.200 269 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.200 269 G C 0.206 175.109 174.900 0.005 0.000 1.012 269 G CA -0.087 45.008 45.100 -0.008 0.000 0.676 269 G HN 0.191 nan 8.290 nan 0.000 0.488 270 I N 2.845 123.417 120.570 0.003 0.000 2.691 270 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 270 I C 0.821 176.953 176.117 0.024 0.000 1.143 270 I CA 0.337 61.644 61.300 0.011 0.000 1.364 270 I CB -0.024 37.979 38.000 0.005 0.000 1.435 270 I HN 0.293 nan 8.210 nan 0.000 0.551 271 V N 4.311 124.245 119.914 0.032 0.000 3.497 271 V HA -0.222 3.898 4.120 -0.000 0.000 0.484 271 V C 0.268 176.400 176.094 0.064 0.000 0.682 271 V CA 0.348 62.677 62.300 0.049 0.000 2.014 271 V CB -1.105 30.747 31.823 0.048 0.000 2.451 271 V HN 0.787 nan 8.190 nan 0.000 0.502 272 K N 3.822 124.265 120.400 0.071 0.000 2.350 272 K HA 0.656 4.976 4.320 -0.000 0.000 0.279 272 K C -0.389 176.283 176.600 0.119 0.000 1.027 272 K CA -0.077 56.264 56.287 0.089 0.000 0.969 272 K CB 1.220 33.764 32.500 0.074 0.000 0.954 272 K HN 0.610 nan 8.250 nan 0.000 0.474 273 V N 1.422 121.441 119.914 0.175 0.000 2.971 273 V HA 0.816 4.936 4.120 -0.000 0.000 0.309 273 V C -1.218 175.033 176.094 0.261 0.000 1.130 273 V CA -1.145 61.274 62.300 0.199 0.000 0.964 273 V CB 2.012 33.975 31.823 0.233 0.000 1.029 273 V HN 0.808 nan 8.190 nan 0.000 0.427 274 A N 2.117 124.920 122.820 -0.028 0.000 2.408 274 A HA 0.949 5.269 4.320 -0.000 0.000 0.295 274 A C -0.531 176.694 177.584 -0.598 0.000 1.040 274 A CA -0.098 51.628 52.037 -0.518 0.000 0.707 274 A CB 1.612 20.477 19.000 -0.225 0.000 1.235 274 A HN 1.698 nan 8.150 nan 0.000 0.418 275 A N 1.746 123.907 122.820 -1.099 0.000 2.318 275 A HA 0.777 5.097 4.320 -0.000 0.000 0.324 275 A C -0.158 177.267 177.584 -0.266 0.000 1.170 275 A CA -0.238 51.526 52.037 -0.455 0.000 0.810 275 A CB 0.819 19.684 19.000 -0.225 0.000 1.198 275 A HN 2.126 nan 8.150 nan 0.000 0.484 276 V N 0.181 120.046 119.914 -0.083 0.000 2.735 276 V HA 0.567 4.687 4.120 -0.000 0.000 0.310 276 V C -0.252 175.878 176.094 0.060 0.000 1.061 276 V CA -1.256 61.054 62.300 0.016 0.000 0.913 276 V CB 1.278 33.154 31.823 0.090 0.000 1.005 276 V HN 0.847 nan 8.190 nan 0.000 0.428 277 K N 2.488 122.931 120.400 0.072 0.000 2.469 277 K HA 0.480 4.800 4.320 -0.000 0.000 0.274 277 K C 0.583 177.233 176.600 0.084 0.000 0.983 277 K CA 0.521 56.851 56.287 0.072 0.000 0.974 277 K CB 0.701 33.242 32.500 0.069 0.000 0.913 277 K HN 1.106 nan 8.250 nan 0.000 0.493 278 A N 4.471 127.308 122.820 0.029 0.000 2.425 278 A HA 0.218 4.537 4.320 -0.000 0.000 0.249 278 A C -2.094 175.463 177.584 -0.044 0.000 1.084 278 A CA -1.221 50.788 52.037 -0.047 0.000 0.781 278 A CB -0.258 18.710 19.000 -0.052 0.000 1.019 278 A HN 0.447 nan 8.150 nan 0.000 0.490 279 P HA 0.419 nan 4.420 nan 0.000 0.276 279 P C 0.591 177.866 177.300 -0.041 0.000 1.235 279 P CA 1.477 64.518 63.100 -0.099 0.000 0.772 279 P CB 0.674 32.166 31.700 -0.346 0.000 0.871 280 G N 2.900 111.740 108.800 0.067 0.000 2.660 280 G HA2 0.040 4.000 3.960 -0.000 0.000 0.215 280 G HA3 0.040 4.000 3.960 -0.000 0.000 0.215 280 G C -1.172 173.851 174.900 0.205 0.000 1.345 280 G CA -0.317 44.845 45.100 0.104 0.000 0.877 280 G HN 0.674 nan 8.290 nan 0.000 0.549 281 F N -1.948 118.003 119.950 0.001 0.000 2.596 281 F HA 0.728 5.255 4.527 0.000 0.000 0.311 281 F C 1.053 176.854 175.800 0.002 0.000 1.116 281 F CA 0.261 58.262 58.000 0.002 0.000 0.957 281 F CB 1.196 40.201 39.000 0.009 0.000 1.250 281 F HN 2.396 nan 8.300 nan 0.000 0.444 282 G N 2.514 111.346 108.800 0.054 0.000 2.815 282 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.326 282 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.326 282 G C 0.609 175.447 174.900 -0.102 0.000 1.191 282 G CA 1.071 46.165 45.100 -0.010 0.000 0.965 282 G HN 0.733 nan 8.290 nan 0.000 0.564 283 D N 1.254 121.553 120.400 -0.169 0.000 2.137 283 D HA 0.022 4.662 4.640 -0.000 0.000 0.202 283 D C 2.552 178.750 176.300 -0.170 0.000 0.970 283 D CA 1.409 55.325 54.000 -0.140 0.000 0.837 283 D CB -0.329 40.402 40.800 -0.114 0.000 0.981 283 D HN 0.738 nan 8.370 nan 0.000 0.475 284 R N 0.591 120.926 120.500 -0.275 0.000 2.339 284 R HA 0.122 4.462 4.340 -0.000 0.000 0.199 284 R C 1.909 178.099 176.300 -0.184 0.000 1.018 284 R CA 0.401 56.362 56.100 -0.232 0.000 1.036 284 R CB 0.023 30.152 30.300 -0.284 0.000 0.899 284 R HN 0.074 nan 8.270 nan 0.000 0.473 285 R N 1.929 122.329 120.500 -0.167 0.000 2.033 285 R HA 0.048 4.388 4.340 -0.000 0.000 0.219 285 R C 1.462 177.707 176.300 -0.091 0.000 1.223 285 R CA 0.746 56.782 56.100 -0.108 0.000 0.971 285 R CB 0.037 30.300 30.300 -0.062 0.000 0.855 285 R HN 0.068 nan 8.270 nan 0.000 0.452 286 K N 0.438 120.794 120.400 -0.072 0.000 2.218 286 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 286 K C 1.923 178.486 176.600 -0.063 0.000 1.046 286 K CA 1.435 57.687 56.287 -0.058 0.000 0.933 286 K CB -0.113 32.360 32.500 -0.043 0.000 0.728 286 K HN 0.279 nan 8.250 nan 0.000 0.454 287 A N 1.194 123.971 122.820 -0.072 0.000 1.854 287 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 287 A C 2.096 179.635 177.584 -0.075 0.000 1.192 287 A CA 1.112 53.108 52.037 -0.067 0.000 0.611 287 A CB -0.318 18.640 19.000 -0.069 0.000 0.832 287 A HN 0.143 nan 8.150 nan 0.000 0.442 288 M N -0.695 118.848 119.600 -0.094 0.000 2.374 288 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 288 M C 1.883 178.101 176.300 -0.136 0.000 1.067 288 M CA 0.895 56.129 55.300 -0.111 0.000 1.103 288 M CB -0.277 32.245 32.600 -0.130 0.000 1.402 288 M HN 0.358 nan 8.290 nan 0.000 0.444 289 L N -0.690 120.457 121.223 -0.126 0.000 2.131 289 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 289 L C 2.452 179.274 176.870 -0.080 0.000 1.087 289 L CA 0.904 55.671 54.840 -0.122 0.000 0.767 289 L CB -0.302 41.696 42.059 -0.102 0.000 0.917 289 L HN 0.225 nan 8.230 nan 0.000 0.441 290 Q N -0.004 119.758 119.800 -0.063 0.000 2.369 290 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 290 Q C 1.435 177.410 176.000 -0.041 0.000 0.963 290 Q CA 1.227 57.004 55.803 -0.044 0.000 0.894 290 Q CB 0.065 28.781 28.738 -0.037 0.000 0.965 290 Q HN 0.370 nan 8.270 nan 0.000 0.475 291 D N -0.349 120.020 120.400 -0.051 0.000 2.084 291 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 291 D C 1.531 177.811 176.300 -0.035 0.000 0.985 291 D CA 1.346 55.321 54.000 -0.042 0.000 0.826 291 D CB -0.095 40.676 40.800 -0.049 0.000 0.978 291 D HN 0.320 nan 8.370 nan 0.000 0.456 292 I N 0.909 121.448 120.570 -0.052 0.000 2.335 292 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 292 I C 2.370 178.479 176.117 -0.014 0.000 1.129 292 I CA 0.903 62.183 61.300 -0.034 0.000 1.402 292 I CB -0.367 37.593 38.000 -0.067 0.000 1.069 292 I HN -0.043 nan 8.210 nan 0.000 0.424 293 A N 1.354 124.162 122.820 -0.020 0.000 1.859 293 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 293 A C 2.392 179.975 177.584 -0.001 0.000 1.198 293 A CA 2.848 54.880 52.037 -0.008 0.000 0.629 293 A CB -1.329 17.664 19.000 -0.012 0.000 0.830 293 A HN 0.524 nan 8.150 nan 0.000 0.446 294 T N -2.339 112.212 114.554 -0.005 0.000 3.113 294 T HA 0.132 4.482 4.350 -0.000 0.000 0.256 294 T C 1.591 176.291 174.700 0.001 0.000 1.131 294 T CA 0.761 62.861 62.100 -0.002 0.000 1.074 294 T CB -0.007 68.858 68.868 -0.005 0.000 0.944 294 T HN 0.215 nan 8.240 nan 0.000 0.516 295 L N 2.561 123.785 121.223 0.002 0.000 2.068 295 L HA 0.046 4.386 4.340 -0.000 0.000 0.204 295 L C 2.464 179.342 176.870 0.013 0.000 1.076 295 L CA 2.456 57.301 54.840 0.008 0.000 0.753 295 L CB -1.180 40.886 42.059 0.013 0.000 0.910 295 L HN 0.554 nan 8.230 nan 0.000 0.439 296 T N -3.155 111.409 114.554 0.016 0.000 3.037 296 T HA 0.242 4.592 4.350 -0.000 0.000 0.251 296 T C 1.026 175.739 174.700 0.022 0.000 1.079 296 T CA 0.452 62.564 62.100 0.020 0.000 1.067 296 T CB -0.045 68.841 68.868 0.030 0.000 0.948 296 T HN 0.606 nan 8.240 nan 0.000 0.496 297 G N 0.026 108.838 108.800 0.019 0.000 2.884 297 G HA2 0.381 4.341 3.960 -0.000 0.000 0.261 297 G HA3 0.381 4.341 3.960 -0.000 0.000 0.261 297 G C -0.008 174.911 174.900 0.031 0.000 1.025 297 G CA -0.423 44.691 45.100 0.022 0.000 1.228 297 G HN 1.142 nan 8.290 nan 0.000 0.558 298 G N -0.674 108.140 108.800 0.023 0.000 2.721 298 G HA2 0.959 4.919 3.960 -0.000 0.000 0.296 298 G HA3 0.959 4.919 3.960 -0.000 0.000 0.296 298 G C -0.761 174.146 174.900 0.012 0.000 1.383 298 G CA 0.281 45.396 45.100 0.024 0.000 0.788 298 G HN 1.044 nan 8.290 nan 0.000 0.500 299 T N 0.589 115.149 114.554 0.010 0.000 2.890 299 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 299 T C -0.220 174.479 174.700 -0.002 0.000 0.993 299 T CA -0.337 61.764 62.100 0.002 0.000 0.979 299 T CB 1.508 70.377 68.868 0.002 0.000 0.967 299 T HN 0.504 nan 8.240 nan 0.000 0.441 300 V N 5.131 125.040 119.914 -0.007 0.000 2.508 300 V HA 0.321 4.441 4.120 -0.000 0.000 0.281 300 V C 0.551 176.639 176.094 -0.010 0.000 1.041 300 V CA -0.607 61.686 62.300 -0.011 0.000 1.016 300 V CB -0.072 31.739 31.823 -0.020 0.000 0.984 300 V HN 0.819 nan 8.190 nan 0.000 0.478 301 I N 3.019 123.585 120.570 -0.008 0.000 2.321 301 I HA 0.757 4.927 4.170 -0.000 0.000 0.291 301 I C 0.239 176.352 176.117 -0.006 0.000 0.998 301 I CA -0.178 61.118 61.300 -0.006 0.000 1.227 301 I CB 1.491 39.488 38.000 -0.004 0.000 1.368 301 I HN 0.600 nan 8.210 nan 0.000 0.466 302 S N 2.539 118.235 115.700 -0.006 0.000 2.566 302 S HA 0.448 4.918 4.470 -0.000 0.000 0.298 302 S C 0.359 174.958 174.600 -0.003 0.000 1.083 302 S CA -0.830 57.367 58.200 -0.005 0.000 0.978 302 S CB 2.138 65.334 63.200 -0.008 0.000 1.073 302 S HN 0.725 nan 8.310 nan 0.000 0.491 303 E N 0.887 121.087 120.200 -0.001 0.000 2.208 303 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 303 E C 1.317 177.917 176.600 0.000 0.000 0.988 303 E CA 0.941 57.342 56.400 0.001 0.000 0.828 303 E CB -0.084 29.618 29.700 0.003 0.000 0.763 303 E HN 0.775 nan 8.360 nan 0.000 0.478 304 E N 0.760 120.960 120.200 -0.001 0.000 2.106 304 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 304 E C 1.991 178.590 176.600 -0.002 0.000 0.984 304 E CA 0.864 57.263 56.400 -0.001 0.000 0.806 304 E CB -0.038 29.661 29.700 -0.002 0.000 0.750 304 E HN 0.309 nan 8.360 nan 0.000 0.458 305 I N -0.597 119.971 120.570 -0.003 0.000 2.500 305 I HA 0.022 4.192 4.170 -0.000 0.000 0.252 305 I C 1.487 177.602 176.117 -0.002 0.000 1.142 305 I CA 0.794 62.092 61.300 -0.003 0.000 1.451 305 I CB 0.152 38.150 38.000 -0.004 0.000 1.093 305 I HN 0.274 nan 8.210 nan 0.000 0.430 306 G N 0.981 109.780 108.800 -0.002 0.000 2.148 306 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.157 306 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.157 306 G C 0.154 175.054 174.900 -0.002 0.000 1.012 306 G CA -0.610 44.490 45.100 -0.001 0.000 0.677 306 G HN 0.149 nan 8.290 nan 0.000 0.506 307 M N 1.782 121.380 119.600 -0.002 0.000 2.094 307 M HA 0.362 4.842 4.480 -0.000 0.000 0.348 307 M C 0.376 176.675 176.300 -0.002 0.000 1.267 307 M CA -0.029 55.270 55.300 -0.002 0.000 1.125 307 M CB 0.795 33.393 32.600 -0.004 0.000 1.527 307 M HN 0.142 nan 8.290 nan 0.000 0.447 308 E N 2.144 122.343 120.200 -0.001 0.000 2.314 308 E HA 0.195 4.545 4.350 -0.000 0.000 0.262 308 E C 0.393 176.992 176.600 -0.002 0.000 1.093 308 E CA -0.404 55.996 56.400 -0.000 0.000 0.908 308 E CB 1.445 31.145 29.700 0.000 0.000 1.091 308 E HN 0.647 nan 8.360 nan 0.000 0.425 309 L N 1.501 122.724 121.223 -0.000 0.000 2.633 309 L HA -0.126 4.214 4.340 -0.000 0.000 0.235 309 L C 0.952 177.819 176.870 -0.005 0.000 1.163 309 L CA 0.909 55.748 54.840 -0.002 0.000 0.859 309 L CB -0.275 41.785 42.059 0.002 0.000 0.973 309 L HN 0.408 nan 8.230 nan 0.000 0.451 310 E N -1.085 119.112 120.200 -0.005 0.000 2.465 310 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 310 E C 1.390 177.984 176.600 -0.009 0.000 1.028 310 E CA 0.024 56.419 56.400 -0.007 0.000 0.899 310 E CB 0.304 30.001 29.700 -0.005 0.000 1.032 310 E HN 0.165 nan 8.360 nan 0.000 0.468 311 K N -0.085 120.309 120.400 -0.009 0.000 2.367 311 K HA 0.309 4.629 4.320 -0.000 0.000 0.198 311 K C 0.611 177.204 176.600 -0.012 0.000 1.132 311 K CA 0.226 56.507 56.287 -0.009 0.000 0.941 311 K CB 0.604 33.101 32.500 -0.006 0.000 1.052 311 K HN 0.028 nan 8.250 nan 0.000 0.507 312 A N 2.876 125.689 122.820 -0.013 0.000 2.404 312 A HA 0.242 4.562 4.320 -0.000 0.000 0.273 312 A C 0.738 178.306 177.584 -0.025 0.000 1.144 312 A CA -0.150 51.877 52.037 -0.015 0.000 0.806 312 A CB -0.092 18.901 19.000 -0.012 0.000 1.080 312 A HN 0.341 nan 8.150 nan 0.000 0.509 313 T N 0.953 115.490 114.554 -0.028 0.000 3.018 313 T HA 0.368 4.718 4.350 -0.000 0.000 0.338 313 T C 1.334 175.995 174.700 -0.066 0.000 1.208 313 T CA -0.037 62.038 62.100 -0.042 0.000 0.963 313 T CB -0.083 68.766 68.868 -0.032 0.000 1.697 313 T HN 0.314 nan 8.240 nan 0.000 0.560 314 L N -0.108 121.063 121.223 -0.086 0.000 2.095 314 L HA 0.157 4.497 4.340 -0.000 0.000 0.204 314 L C 2.964 179.776 176.870 -0.097 0.000 1.080 314 L CA 1.296 56.044 54.840 -0.152 0.000 0.759 314 L CB -0.431 41.526 42.059 -0.170 0.000 0.914 314 L HN 0.751 nan 8.230 nan 0.000 0.439 315 E N -0.153 120.029 120.200 -0.030 0.000 2.481 315 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 315 E C 1.045 177.661 176.600 0.027 0.000 1.047 315 E CA 0.235 56.649 56.400 0.022 0.000 0.867 315 E CB 0.286 30.000 29.700 0.024 0.000 0.858 315 E HN 0.392 nan 8.360 nan 0.000 0.513 316 D N -0.073 120.330 120.400 0.005 0.000 2.224 316 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 316 D C 0.035 176.350 176.300 0.023 0.000 0.965 316 D CA 0.417 54.422 54.000 0.009 0.000 0.852 316 D CB 0.162 40.960 40.800 -0.004 0.000 0.947 316 D HN 0.075 nan 8.370 nan 0.000 0.494 317 L N 0.415 121.656 121.223 0.030 0.000 2.473 317 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 317 L C 1.418 178.358 176.870 0.117 0.000 1.215 317 L CA 0.074 54.956 54.840 0.070 0.000 0.823 317 L CB 0.281 42.384 42.059 0.073 0.000 1.099 317 L HN -0.083 nan 8.230 nan 0.000 0.483 318 G N 0.975 109.843 108.800 0.113 0.000 2.476 318 G HA2 0.484 4.444 3.960 -0.000 0.000 0.269 318 G HA3 0.484 4.444 3.960 -0.000 0.000 0.269 318 G C -0.812 174.160 174.900 0.120 0.000 1.195 318 G CA -0.414 44.744 45.100 0.097 0.000 0.843 318 G HN 0.570 nan 8.290 nan 0.000 0.545 319 Q N -0.542 119.295 119.800 0.062 0.000 2.321 319 Q HA 0.597 4.937 4.340 -0.000 0.000 0.270 319 Q C -0.678 175.304 176.000 -0.029 0.000 1.032 319 Q CA -0.679 55.118 55.803 -0.011 0.000 0.784 319 Q CB 2.460 31.183 28.738 -0.026 0.000 1.264 319 Q HN 0.726 nan 8.270 nan 0.000 0.448 320 A N 1.696 124.480 122.820 -0.060 0.000 2.475 320 A HA 0.406 4.726 4.320 -0.000 0.000 0.301 320 A C -0.135 177.406 177.584 -0.072 0.000 1.059 320 A CA -0.647 51.363 52.037 -0.044 0.000 0.710 320 A CB 1.585 20.576 19.000 -0.015 0.000 1.288 320 A HN 0.790 nan 8.150 nan 0.000 0.408 321 K N -0.036 120.331 120.400 -0.055 0.000 2.296 321 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 321 K C 0.432 177.001 176.600 -0.052 0.000 1.048 321 K CA 1.115 57.365 56.287 -0.061 0.000 0.966 321 K CB 0.069 32.542 32.500 -0.045 0.000 0.754 321 K HN 0.651 nan 8.250 nan 0.000 0.466 322 R N -0.556 119.920 120.500 -0.039 0.000 2.629 322 R HA 0.280 4.620 4.340 -0.000 0.000 0.266 322 R C -1.829 174.457 176.300 -0.024 0.000 1.051 322 R CA -0.788 55.293 56.100 -0.031 0.000 0.895 322 R CB 2.337 32.622 30.300 -0.025 0.000 1.246 322 R HN -0.052 nan 8.270 nan 0.000 0.459 323 V N -1.218 118.683 119.914 -0.021 0.000 2.971 323 V HA 0.755 4.875 4.120 -0.000 0.000 0.309 323 V C -0.919 175.162 176.094 -0.021 0.000 1.130 323 V CA -0.837 61.451 62.300 -0.020 0.000 0.964 323 V CB 2.178 33.994 31.823 -0.011 0.000 1.029 323 V HN 0.409 nan 8.190 nan 0.000 0.427 324 V N 4.497 124.391 119.914 -0.033 0.000 2.604 324 V HA 0.639 4.759 4.120 -0.000 0.000 0.305 324 V C -0.525 175.544 176.094 -0.042 0.000 1.043 324 V CA -0.355 61.929 62.300 -0.027 0.000 0.888 324 V CB 1.780 33.589 31.823 -0.024 0.000 0.995 324 V HN 0.843 nan 8.190 nan 0.000 0.429 325 I N 4.631 125.200 120.570 -0.000 0.000 2.468 325 I HA 0.456 4.626 4.170 -0.000 0.000 0.284 325 I C -0.354 175.841 176.117 0.130 0.000 1.038 325 I CA -0.347 60.968 61.300 0.025 0.000 1.083 325 I CB 1.688 39.720 38.000 0.053 0.000 1.223 325 I HN 0.533 nan 8.210 nan 0.000 0.443 326 N N 4.315 123.052 118.700 0.062 0.000 2.538 326 N HA 0.334 5.074 4.740 -0.000 0.000 0.292 326 N C 0.979 176.442 175.510 -0.079 0.000 1.262 326 N CA -0.792 52.315 53.050 0.095 0.000 0.976 326 N CB 0.726 39.228 38.487 0.024 0.000 1.161 326 N HN 0.403 nan 8.380 nan 0.000 0.598 327 K N -0.286 120.022 120.400 -0.153 0.000 2.059 327 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 327 K C -0.552 175.780 176.600 -0.448 0.000 1.050 327 K CA 2.154 58.126 56.287 -0.525 0.000 0.927 327 K CB -0.079 32.304 32.500 -0.195 0.000 0.714 327 K HN 0.696 nan 8.250 nan 0.000 0.447 328 D N -1.411 118.855 120.400 -0.223 0.000 2.760 328 D HA 0.101 4.741 4.640 -0.000 0.000 0.314 328 D C -1.183 175.045 176.300 -0.119 0.000 1.464 328 D CA -0.386 53.521 54.000 -0.155 0.000 0.797 328 D CB 1.275 42.017 40.800 -0.096 0.000 1.149 328 D HN -0.152 nan 8.370 nan 0.000 0.455 329 T N 0.177 114.647 114.554 -0.140 0.000 3.066 329 T HA 0.426 4.776 4.350 -0.000 0.000 0.318 329 T C -0.611 173.959 174.700 -0.218 0.000 0.979 329 T CA -0.548 61.459 62.100 -0.155 0.000 1.025 329 T CB 1.553 70.365 68.868 -0.093 0.000 1.002 329 T HN -0.070 nan 8.240 nan 0.000 0.453 330 T N 2.672 116.977 114.554 -0.414 0.000 2.829 330 T HA 0.705 5.055 4.350 -0.000 0.000 0.282 330 T C 0.093 174.437 174.700 -0.594 0.000 0.990 330 T CA -0.626 61.154 62.100 -0.533 0.000 1.028 330 T CB 1.619 70.010 68.868 -0.795 0.000 0.951 330 T HN 0.600 nan 8.240 nan 0.000 0.460 331 T N 2.588 116.951 114.554 -0.318 0.000 2.912 331 T HA 0.687 5.037 4.350 -0.000 0.000 0.299 331 T C -0.966 173.681 174.700 -0.088 0.000 1.052 331 T CA -0.747 61.236 62.100 -0.195 0.000 0.996 331 T CB 0.604 69.399 68.868 -0.122 0.000 1.070 331 T HN 0.493 nan 8.240 nan 0.000 0.465 332 I N 4.731 125.288 120.570 -0.021 0.000 2.412 332 I HA 0.539 4.709 4.170 -0.000 0.000 0.296 332 I C -0.539 175.582 176.117 0.007 0.000 0.987 332 I CA -1.062 60.251 61.300 0.021 0.000 1.180 332 I CB 1.666 39.715 38.000 0.081 0.000 1.340 332 I HN 0.587 nan 8.210 nan 0.000 0.455 333 I N 5.251 125.821 120.570 -0.001 0.000 2.466 333 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 333 I C -0.881 175.231 176.117 -0.008 0.000 1.026 333 I CA -0.579 60.717 61.300 -0.007 0.000 1.078 333 I CB 1.701 39.693 38.000 -0.014 0.000 1.249 333 I HN 0.544 nan 8.210 nan 0.000 0.429 334 D N 4.676 125.072 120.400 -0.006 0.000 4.028 334 D HA -0.119 4.521 4.640 -0.000 0.000 0.233 334 D C -0.289 176.005 176.300 -0.011 0.000 1.080 334 D CA 1.095 55.089 54.000 -0.009 0.000 1.181 334 D CB 0.008 40.799 40.800 -0.014 0.000 0.815 334 D HN 0.841 nan 8.370 nan 0.000 0.401 335 G N 0.862 109.659 108.800 -0.004 0.000 2.473 335 G HA2 0.555 4.515 3.960 -0.000 0.000 0.321 335 G HA3 0.555 4.515 3.960 -0.000 0.000 0.321 335 G C 0.275 175.174 174.900 -0.002 0.000 1.200 335 G CA -0.645 44.453 45.100 -0.003 0.000 0.963 335 G HN 0.304 nan 8.290 nan 0.000 0.483 336 V N 1.519 121.433 119.914 -0.000 0.000 1.973 336 V HA 0.380 4.500 4.120 -0.000 0.000 0.255 336 V C 1.107 177.207 176.094 0.009 0.000 1.605 336 V CA 0.095 62.397 62.300 0.004 0.000 1.542 336 V CB -0.454 31.374 31.823 0.007 0.000 1.504 336 V HN 0.762 nan 8.190 nan 0.000 0.505 337 G N 1.259 110.063 108.800 0.006 0.000 2.368 337 G HA2 0.504 4.464 3.960 -0.000 0.000 0.320 337 G HA3 0.504 4.464 3.960 -0.000 0.000 0.320 337 G C -0.238 174.665 174.900 0.004 0.000 1.158 337 G CA -0.425 44.678 45.100 0.006 0.000 0.912 337 G HN 0.326 nan 8.290 nan 0.000 0.456 338 E N 1.004 121.207 120.200 0.004 0.000 2.422 338 E HA -0.024 4.326 4.350 -0.000 0.000 0.260 338 E C 1.259 177.859 176.600 0.001 0.000 1.108 338 E CA -0.151 56.250 56.400 0.003 0.000 0.943 338 E CB 1.440 31.141 29.700 0.003 0.000 0.961 338 E HN 0.776 nan 8.360 nan 0.000 0.443 339 E N 2.090 122.290 120.200 0.000 0.000 2.048 339 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 339 E C 1.588 178.187 176.600 -0.001 0.000 1.021 339 E CA 2.331 58.731 56.400 -0.001 0.000 0.825 339 E CB -0.195 29.504 29.700 -0.001 0.000 0.756 339 E HN 0.530 nan 8.360 nan 0.000 0.454 340 A N 0.074 122.894 122.820 -0.001 0.000 2.067 340 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 340 A C 2.282 179.865 177.584 -0.002 0.000 1.156 340 A CA 1.403 53.439 52.037 -0.002 0.000 0.683 340 A CB -0.597 18.402 19.000 -0.002 0.000 0.808 340 A HN 0.410 nan 8.150 nan 0.000 0.455 341 A N 0.177 122.996 122.820 -0.001 0.000 1.897 341 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 341 A C 2.038 179.620 177.584 -0.003 0.000 1.181 341 A CA 1.440 53.476 52.037 -0.002 0.000 0.620 341 A CB -0.438 18.562 19.000 -0.000 0.000 0.821 341 A HN 0.474 nan 8.150 nan 0.000 0.443 342 I N -1.410 119.159 120.570 -0.002 0.000 2.339 342 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 342 I C 2.671 178.786 176.117 -0.004 0.000 1.096 342 I CA 1.244 62.542 61.300 -0.003 0.000 1.408 342 I CB -0.324 37.675 38.000 -0.001 0.000 1.092 342 I HN 0.352 nan 8.210 nan 0.000 0.423 343 Q N 0.777 120.574 119.800 -0.004 0.000 2.311 343 Q HA -0.062 4.278 4.340 -0.000 0.000 0.203 343 Q C 2.097 178.094 176.000 -0.006 0.000 0.954 343 Q CA 1.080 56.880 55.803 -0.005 0.000 0.885 343 Q CB 0.033 28.769 28.738 -0.004 0.000 0.963 343 Q HN 0.581 nan 8.270 nan 0.000 0.471 344 G N -0.074 108.723 108.800 -0.005 0.000 2.551 344 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 344 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 344 G C 1.411 176.306 174.900 -0.008 0.000 1.137 344 G CA 0.143 45.240 45.100 -0.006 0.000 0.798 344 G HN 0.145 nan 8.290 nan 0.000 0.536 345 R N 0.160 120.654 120.500 -0.008 0.000 2.115 345 R HA 0.068 4.408 4.340 -0.000 0.000 0.226 345 R C 2.437 178.730 176.300 -0.012 0.000 1.100 345 R CA 1.010 57.103 56.100 -0.011 0.000 0.980 345 R CB -0.419 29.874 30.300 -0.012 0.000 0.875 345 R HN 0.199 nan 8.270 nan 0.000 0.445 346 V N 0.438 120.345 119.914 -0.011 0.000 2.379 346 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 346 V C 2.298 178.385 176.094 -0.012 0.000 1.044 346 V CA 1.703 63.996 62.300 -0.011 0.000 1.036 346 V CB -0.805 31.012 31.823 -0.010 0.000 0.664 346 V HN 0.462 nan 8.190 nan 0.000 0.453 347 A N -0.549 122.265 122.820 -0.010 0.000 1.969 347 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 347 A C 2.273 179.851 177.584 -0.010 0.000 1.169 347 A CA 1.982 54.013 52.037 -0.009 0.000 0.635 347 A CB -0.477 18.519 19.000 -0.008 0.000 0.810 347 A HN 0.599 nan 8.150 nan 0.000 0.445 348 Q N -0.354 119.439 119.800 -0.011 0.000 2.046 348 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 348 Q C 1.958 177.949 176.000 -0.014 0.000 0.975 348 Q CA 1.752 57.548 55.803 -0.012 0.000 0.836 348 Q CB -0.221 28.510 28.738 -0.012 0.000 0.896 348 Q HN 0.690 nan 8.270 nan 0.000 0.428 349 I N 0.123 120.684 120.570 -0.016 0.000 2.252 349 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 349 I C 2.706 178.812 176.117 -0.019 0.000 1.102 349 I CA 1.067 62.355 61.300 -0.019 0.000 1.385 349 I CB -0.254 37.732 38.000 -0.022 0.000 1.064 349 I HN 0.175 nan 8.210 nan 0.000 0.414 350 R N 0.513 121.003 120.500 -0.016 0.000 2.152 350 R HA -0.214 4.126 4.340 -0.000 0.000 0.232 350 R C 2.294 178.586 176.300 -0.013 0.000 1.117 350 R CA 1.345 57.436 56.100 -0.016 0.000 0.981 350 R CB -0.108 30.184 30.300 -0.013 0.000 0.870 350 R HN 0.410 nan 8.270 nan 0.000 0.451 351 Q N -0.056 119.737 119.800 -0.012 0.000 2.230 351 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 351 Q C 1.717 177.711 176.000 -0.010 0.000 0.963 351 Q CA 1.109 56.906 55.803 -0.010 0.000 0.866 351 Q CB 0.253 28.985 28.738 -0.009 0.000 0.931 351 Q HN 0.476 nan 8.270 nan 0.000 0.452 352 Q N -0.053 119.740 119.800 -0.012 0.000 2.226 352 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 352 Q C 1.897 177.890 176.000 -0.011 0.000 0.975 352 Q CA 1.072 56.868 55.803 -0.012 0.000 0.866 352 Q CB 0.011 28.740 28.738 -0.016 0.000 0.915 352 Q HN 0.487 nan 8.270 nan 0.000 0.440 353 I N 0.690 121.252 120.570 -0.014 0.000 2.252 353 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 353 I C 1.972 178.083 176.117 -0.009 0.000 1.102 353 I CA 0.917 62.209 61.300 -0.014 0.000 1.385 353 I CB -0.251 37.738 38.000 -0.018 0.000 1.064 353 I HN 0.122 nan 8.210 nan 0.000 0.414 354 E N 0.905 121.101 120.200 -0.008 0.000 2.274 354 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 354 E C 1.880 178.478 176.600 -0.003 0.000 0.996 354 E CA 0.851 57.248 56.400 -0.005 0.000 0.840 354 E CB -0.048 29.649 29.700 -0.005 0.000 0.772 354 E HN 0.595 nan 8.360 nan 0.000 0.491 355 E N 0.635 120.832 120.200 -0.004 0.000 2.122 355 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 355 E C 0.477 177.077 176.600 0.000 0.000 0.977 355 E CA 0.375 56.774 56.400 -0.002 0.000 0.820 355 E CB 0.270 29.968 29.700 -0.004 0.000 0.770 355 E HN 0.016 nan 8.360 nan 0.000 0.462 356 A N 1.365 124.185 122.820 0.001 0.000 2.294 356 A HA 0.175 4.495 4.320 -0.000 0.000 0.316 356 A C 0.765 178.355 177.584 0.008 0.000 1.359 356 A CA -0.464 51.576 52.037 0.006 0.000 0.956 356 A CB 0.094 19.099 19.000 0.008 0.000 1.155 356 A HN 0.174 nan 8.150 nan 0.000 0.544 357 T N 0.026 114.586 114.554 0.010 0.000 3.252 357 T HA 0.106 4.456 4.350 -0.000 0.000 0.250 357 T C 0.856 175.567 174.700 0.019 0.000 1.123 357 T CA 0.566 62.673 62.100 0.012 0.000 1.006 357 T CB -0.338 68.535 68.868 0.009 0.000 0.992 357 T HN 0.487 nan 8.240 nan 0.000 0.547 358 S N 0.612 116.328 115.700 0.027 0.000 2.580 358 S HA 0.185 4.655 4.470 -0.000 0.000 0.274 358 S C 0.848 175.478 174.600 0.050 0.000 1.329 358 S CA -0.530 57.696 58.200 0.044 0.000 1.036 358 S CB 0.971 64.206 63.200 0.058 0.000 0.919 358 S HN 0.358 nan 8.310 nan 0.000 0.515 359 D N 1.292 121.733 120.400 0.068 0.000 2.271 359 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 359 D C 1.309 177.662 176.300 0.089 0.000 0.967 359 D CA 0.872 54.910 54.000 0.064 0.000 0.867 359 D CB -0.029 40.807 40.800 0.060 0.000 0.960 359 D HN 0.708 nan 8.370 nan 0.000 0.509 360 Y N 0.707 121.009 120.300 0.003 0.000 2.301 360 Y HA 0.009 4.559 4.550 -0.000 0.000 0.295 360 Y C 1.510 177.410 175.900 -0.000 0.000 1.119 360 Y CA 1.038 59.141 58.100 0.005 0.000 1.162 360 Y CB 0.144 38.610 38.460 0.010 0.000 1.046 360 Y HN -0.166 nan 8.280 nan 0.000 0.538 361 D N 0.382 120.868 120.400 0.142 0.000 2.311 361 D HA -0.184 4.456 4.640 -0.000 0.000 0.212 361 D C 2.006 178.276 176.300 -0.049 0.000 0.972 361 D CA 0.940 54.968 54.000 0.047 0.000 0.887 361 D CB -0.207 40.635 40.800 0.070 0.000 0.915 361 D HN 0.413 nan 8.370 nan 0.000 0.497 362 R N 0.983 121.449 120.500 -0.056 0.000 2.062 362 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 362 R C 1.877 178.109 176.300 -0.114 0.000 1.128 362 R CA 0.954 57.015 56.100 -0.066 0.000 0.960 362 R CB 0.103 30.380 30.300 -0.038 0.000 0.855 362 R HN 0.088 nan 8.270 nan 0.000 0.432 363 E N -0.124 119.962 120.200 -0.190 0.000 2.265 363 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 363 E C 1.609 178.072 176.600 -0.229 0.000 0.996 363 E CA 0.742 57.009 56.400 -0.222 0.000 0.832 363 E CB 0.259 29.776 29.700 -0.305 0.000 0.756 363 E HN 0.182 nan 8.360 nan 0.000 0.491 364 K N 0.179 120.425 120.400 -0.257 0.000 2.211 364 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 364 K C 2.083 178.620 176.600 -0.105 0.000 1.052 364 K CA 0.375 56.552 56.287 -0.184 0.000 0.973 364 K CB 0.071 32.466 32.500 -0.175 0.000 0.766 364 K HN 0.178 nan 8.250 nan 0.000 0.466 365 L N 0.871 122.040 121.223 -0.089 0.000 2.217 365 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 365 L C 2.290 179.129 176.870 -0.052 0.000 1.107 365 L CA 0.903 55.708 54.840 -0.060 0.000 0.783 365 L CB -0.254 41.776 42.059 -0.048 0.000 0.919 365 L HN 0.139 nan 8.230 nan 0.000 0.442 366 Q N -0.190 119.574 119.800 -0.061 0.000 2.172 366 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 366 Q C 1.953 177.928 176.000 -0.042 0.000 0.964 366 Q CA 1.001 56.775 55.803 -0.048 0.000 0.855 366 Q CB 0.093 28.800 28.738 -0.052 0.000 0.918 366 Q HN 0.490 nan 8.270 nan 0.000 0.444 367 E N 0.237 120.407 120.200 -0.051 0.000 2.208 367 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 367 E C 1.922 178.509 176.600 -0.021 0.000 0.988 367 E CA 0.390 56.769 56.400 -0.035 0.000 0.828 367 E CB 0.171 29.846 29.700 -0.041 0.000 0.763 367 E HN 0.241 nan 8.360 nan 0.000 0.478 368 R N 0.422 120.904 120.500 -0.029 0.000 2.075 368 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 368 R C 2.649 178.940 176.300 -0.015 0.000 1.114 368 R CA 1.306 57.393 56.100 -0.022 0.000 0.972 368 R CB -0.249 30.031 30.300 -0.033 0.000 0.869 368 R HN 0.143 nan 8.270 nan 0.000 0.437 369 V N -1.795 118.108 119.914 -0.019 0.000 2.427 369 V HA -0.025 4.095 4.120 -0.000 0.000 0.248 369 V C 2.276 178.364 176.094 -0.010 0.000 1.051 369 V CA 1.685 63.976 62.300 -0.015 0.000 1.048 369 V CB -0.929 30.883 31.823 -0.018 0.000 0.666 369 V HN 0.193 nan 8.190 nan 0.000 0.456 370 A N 0.390 123.203 122.820 -0.011 0.000 1.972 370 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 370 A C 2.305 179.889 177.584 -0.001 0.000 1.169 370 A CA 1.956 53.988 52.037 -0.008 0.000 0.635 370 A CB -0.543 18.450 19.000 -0.011 0.000 0.810 370 A HN 0.617 nan 8.150 nan 0.000 0.446 371 K N -1.483 118.920 120.400 0.005 0.000 2.296 371 K HA 0.090 4.410 4.320 -0.000 0.000 0.200 371 K C 1.493 178.103 176.600 0.017 0.000 1.048 371 K CA 0.793 57.091 56.287 0.018 0.000 0.966 371 K CB -0.046 32.474 32.500 0.033 0.000 0.754 371 K HN 0.376 nan 8.250 nan 0.000 0.466 372 L N -0.614 120.613 121.223 0.007 0.000 2.445 372 L HA 0.184 4.524 4.340 -0.000 0.000 0.207 372 L C 1.907 178.779 176.870 0.002 0.000 1.053 372 L CA 0.750 55.593 54.840 0.005 0.000 0.841 372 L CB -0.123 41.936 42.059 -0.000 0.000 1.074 372 L HN -0.005 nan 8.230 nan 0.000 0.479 373 A N -0.512 122.306 122.820 -0.002 0.000 1.825 373 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 373 A C 1.502 179.084 177.584 -0.003 0.000 1.206 373 A CA 1.107 53.142 52.037 -0.004 0.000 0.609 373 A CB -1.439 17.558 19.000 -0.006 0.000 0.851 373 A HN 0.350 nan 8.150 nan 0.000 0.445 374 G N -0.350 108.447 108.800 -0.004 0.000 2.807 374 G HA2 0.450 4.410 3.960 -0.000 0.000 0.316 374 G HA3 0.450 4.410 3.960 -0.000 0.000 0.316 374 G C 0.722 175.620 174.900 -0.003 0.000 0.900 374 G CA 0.349 45.447 45.100 -0.004 0.000 1.499 374 G HN 0.592 nan 8.290 nan 0.000 0.484 375 G N 0.992 109.791 108.800 -0.001 0.000 2.632 375 G HA2 0.207 4.167 3.960 -0.000 0.000 0.183 375 G HA3 0.207 4.167 3.960 -0.000 0.000 0.183 375 G C -0.048 174.851 174.900 -0.003 0.000 1.592 375 G CA 0.695 45.795 45.100 0.001 0.000 0.880 375 G HN 0.678 nan 8.290 nan 0.000 0.399 376 V N 0.527 120.438 119.914 -0.005 0.000 2.525 376 V HA 0.662 4.782 4.120 -0.000 0.000 0.299 376 V C 0.143 176.230 176.094 -0.010 0.000 1.034 376 V CA -0.862 61.432 62.300 -0.009 0.000 0.863 376 V CB 1.136 32.952 31.823 -0.010 0.000 0.999 376 V HN 0.782 nan 8.190 nan 0.000 0.423 377 A N 4.669 127.481 122.820 -0.013 0.000 2.362 377 A HA 0.700 5.020 4.320 -0.000 0.000 0.276 377 A C -0.342 177.234 177.584 -0.013 0.000 1.153 377 A CA -0.226 51.803 52.037 -0.012 0.000 0.813 377 A CB 0.597 19.590 19.000 -0.013 0.000 1.081 377 A HN 0.738 nan 8.150 nan 0.000 0.507 378 V N 4.621 124.528 119.914 -0.011 0.000 2.417 378 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 378 V C -0.160 175.928 176.094 -0.009 0.000 1.024 378 V CA -0.200 62.094 62.300 -0.011 0.000 0.861 378 V CB 1.415 33.232 31.823 -0.011 0.000 0.985 378 V HN 0.745 nan 8.190 nan 0.000 0.436 379 I N 5.376 125.941 120.570 -0.009 0.000 2.312 379 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 379 I C 0.100 176.213 176.117 -0.006 0.000 1.008 379 I CA -0.442 60.854 61.300 -0.007 0.000 1.226 379 I CB 1.106 39.102 38.000 -0.006 0.000 1.371 379 I HN 0.495 nan 8.210 nan 0.000 0.468 380 K N 6.318 126.714 120.400 -0.006 0.000 2.299 380 K HA 0.367 4.687 4.320 -0.000 0.000 0.268 380 K C -0.717 175.880 176.600 -0.004 0.000 1.075 380 K CA -0.607 55.677 56.287 -0.005 0.000 0.936 380 K CB 1.548 34.045 32.500 -0.006 0.000 1.228 380 K HN 0.332 nan 8.250 nan 0.000 0.454 381 V N 3.047 122.958 119.914 -0.003 0.000 2.364 381 V HA 0.105 4.225 4.120 -0.000 0.000 0.252 381 V C 0.852 176.944 176.094 -0.003 0.000 1.075 381 V CA -0.523 61.775 62.300 -0.003 0.000 1.033 381 V CB 0.199 32.021 31.823 -0.002 0.000 1.116 381 V HN 0.833 nan 8.190 nan 0.000 0.488 382 G N 2.974 111.772 108.800 -0.003 0.000 2.356 382 G HA2 0.596 4.556 3.960 -0.000 0.000 0.298 382 G HA3 0.596 4.556 3.960 -0.000 0.000 0.298 382 G C 0.390 175.289 174.900 -0.003 0.000 1.145 382 G CA 0.297 45.395 45.100 -0.003 0.000 0.850 382 G HN 0.971 nan 8.290 nan 0.000 0.487 383 A N 0.750 123.568 122.820 -0.003 0.000 2.458 383 A HA 0.783 5.103 4.320 -0.000 0.000 0.152 383 A C 0.804 178.386 177.584 -0.003 0.000 1.790 383 A CA 1.214 53.249 52.037 -0.003 0.000 1.327 383 A CB -0.502 18.496 19.000 -0.003 0.000 1.572 383 A HN 2.768 nan 8.150 nan 0.000 0.416 384 A N -0.845 121.973 122.820 -0.003 0.000 2.435 384 A HA 0.501 4.821 4.320 -0.000 0.000 0.686 384 A C 0.967 178.549 177.584 -0.003 0.000 0.138 384 A CA 0.589 52.624 52.037 -0.003 0.000 0.024 384 A CB -2.648 16.350 19.000 -0.003 0.000 3.974 384 A HN 3.139 nan 8.150 nan 0.000 0.548 385 T N -1.554 112.999 114.554 -0.003 0.000 0.543 385 T HA 0.060 4.410 4.350 -0.000 0.000 0.774 385 T C 0.349 175.047 174.700 -0.003 0.000 0.992 385 T CA 2.016 64.114 62.100 -0.003 0.000 4.075 385 T CB -0.829 68.038 68.868 -0.003 0.000 2.302 385 T HN 2.524 nan 8.240 nan 0.000 0.398 386 E N 2.067 122.265 120.200 -0.003 0.000 2.049 386 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 386 E C 1.972 178.570 176.600 -0.004 0.000 1.007 386 E CA 2.390 58.788 56.400 -0.004 0.000 0.809 386 E CB -0.423 29.275 29.700 -0.004 0.000 0.749 386 E HN 0.739 nan 8.360 nan 0.000 0.450 387 V N 0.745 120.657 119.914 -0.004 0.000 2.407 387 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 387 V C 2.097 178.189 176.094 -0.003 0.000 1.041 387 V CA 2.032 64.330 62.300 -0.004 0.000 1.040 387 V CB -0.582 31.239 31.823 -0.003 0.000 0.671 387 V HN 0.273 nan 8.190 nan 0.000 0.455 388 E N -0.354 119.844 120.200 -0.003 0.000 2.338 388 E HA -0.145 4.204 4.350 -0.000 0.000 0.197 388 E C 2.038 178.637 176.600 -0.003 0.000 1.007 388 E CA 0.865 57.264 56.400 -0.003 0.000 0.849 388 E CB -0.058 29.640 29.700 -0.003 0.000 0.774 388 E HN 0.458 nan 8.360 nan 0.000 0.506 389 M N 0.547 120.145 119.600 -0.003 0.000 2.429 389 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 389 M C 1.598 177.896 176.300 -0.003 0.000 1.120 389 M CA 1.162 56.460 55.300 -0.003 0.000 1.173 389 M CB 0.139 32.737 32.600 -0.003 0.000 1.343 389 M HN -0.179 nan 8.290 nan 0.000 0.464 390 K N 0.543 120.941 120.400 -0.003 0.000 2.280 390 K HA -0.148 4.172 4.320 -0.000 0.000 0.202 390 K C 1.814 178.412 176.600 -0.003 0.000 1.047 390 K CA 0.925 57.209 56.287 -0.003 0.000 0.942 390 K CB -0.200 32.297 32.500 -0.004 0.000 0.739 390 K HN 0.453 nan 8.250 nan 0.000 0.457 391 E N 1.126 121.324 120.200 -0.003 0.000 2.190 391 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 391 E C 1.825 178.424 176.600 -0.002 0.000 0.978 391 E CA 0.694 57.092 56.400 -0.003 0.000 0.839 391 E CB 0.287 29.984 29.700 -0.004 0.000 0.787 391 E HN 0.159 nan 8.360 nan 0.000 0.473 392 K N 1.022 121.421 120.400 -0.002 0.000 2.007 392 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 392 K C 2.317 178.917 176.600 0.000 0.000 1.047 392 K CA 1.094 57.380 56.287 -0.001 0.000 0.937 392 K CB -0.083 32.416 32.500 -0.001 0.000 0.718 392 K HN -0.142 nan 8.250 nan 0.000 0.438 393 K N 0.958 121.358 120.400 0.000 0.000 2.063 393 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 393 K C 1.835 178.438 176.600 0.005 0.000 1.048 393 K CA 1.593 57.882 56.287 0.002 0.000 0.928 393 K CB -0.265 32.236 32.500 0.001 0.000 0.713 393 K HN 0.214 nan 8.250 nan 0.000 0.442 394 A N 1.655 124.476 122.820 0.002 0.000 1.940 394 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 394 A C 2.193 179.780 177.584 0.005 0.000 1.176 394 A CA 1.382 53.420 52.037 0.002 0.000 0.631 394 A CB -0.419 18.579 19.000 -0.002 0.000 0.814 394 A HN 0.395 nan 8.150 nan 0.000 0.446 395 R N -0.714 119.788 120.500 0.004 0.000 2.148 395 R HA -0.022 4.318 4.340 -0.000 0.000 0.223 395 R C 1.818 178.124 176.300 0.010 0.000 1.088 395 R CA 1.162 57.265 56.100 0.005 0.000 0.985 395 R CB -0.318 29.983 30.300 0.002 0.000 0.880 395 R HN 0.428 nan 8.270 nan 0.000 0.451 396 V N 1.068 120.989 119.914 0.011 0.000 2.626 396 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 396 V C 1.806 177.916 176.094 0.026 0.000 1.067 396 V CA 1.635 63.944 62.300 0.014 0.000 1.081 396 V CB -0.363 31.465 31.823 0.009 0.000 0.686 396 V HN 0.330 nan 8.190 nan 0.000 0.468 397 E N -0.087 120.134 120.200 0.034 0.000 2.033 397 E HA -0.154 4.195 4.350 -0.000 0.000 0.189 397 E C 1.631 178.285 176.600 0.091 0.000 0.979 397 E CA 1.092 57.532 56.400 0.067 0.000 0.802 397 E CB -0.134 29.602 29.700 0.060 0.000 0.763 397 E HN 0.522 nan 8.360 nan 0.000 0.449 398 D N -0.075 120.354 120.400 0.047 0.000 2.390 398 D HA -0.025 4.615 4.640 -0.000 0.000 0.235 398 D C 1.063 177.391 176.300 0.046 0.000 1.040 398 D CA 0.327 54.348 54.000 0.036 0.000 0.923 398 D CB 0.457 41.258 40.800 0.002 0.000 0.886 398 D HN 0.138 nan 8.370 nan 0.000 0.532 399 A N -0.027 122.821 122.820 0.048 0.000 2.055 399 A HA 0.059 4.379 4.320 -0.000 0.000 0.205 399 A C 1.900 179.509 177.584 0.041 0.000 1.235 399 A CA -0.123 51.936 52.037 0.037 0.000 0.822 399 A CB -0.068 18.945 19.000 0.021 0.000 0.903 399 A HN 0.172 nan 8.150 nan 0.000 0.473 400 L N -0.578 120.674 121.223 0.047 0.000 2.093 400 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 400 L C 2.234 179.104 176.870 -0.001 0.000 1.085 400 L CA 1.907 56.755 54.840 0.014 0.000 0.755 400 L CB -0.621 41.438 42.059 -0.001 0.000 0.904 400 L HN 0.507 nan 8.230 nan 0.000 0.435 401 H N -0.964 118.102 119.070 -0.006 0.000 2.389 401 H HA -0.027 4.529 4.556 0.000 0.000 0.299 401 H C 2.043 177.369 175.328 -0.003 0.000 1.081 401 H CA 1.330 57.375 56.048 -0.005 0.000 1.345 401 H CB 0.173 29.931 29.762 -0.007 0.000 1.393 401 H HN 0.513 nan 8.280 nan 0.000 0.520 402 A N 0.165 123.052 122.820 0.112 0.000 1.929 402 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 402 A C 2.548 180.151 177.584 0.032 0.000 1.176 402 A CA 1.651 53.725 52.037 0.061 0.000 0.628 402 A CB -0.610 18.417 19.000 0.045 0.000 0.816 402 A HN 0.330 nan 8.150 nan 0.000 0.444 403 T N -0.485 114.081 114.554 0.019 0.000 2.821 403 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 403 T C 2.110 176.805 174.700 -0.009 0.000 1.046 403 T CA 1.000 63.102 62.100 0.003 0.000 1.139 403 T CB -0.211 68.656 68.868 -0.002 0.000 0.871 403 T HN 0.291 nan 8.240 nan 0.000 0.454 404 R N 1.244 121.729 120.500 -0.026 0.000 2.083 404 R HA 0.011 4.351 4.340 -0.000 0.000 0.237 404 R C 2.644 178.934 176.300 -0.018 0.000 1.137 404 R CA 1.627 57.701 56.100 -0.043 0.000 0.951 404 R CB -0.898 29.341 30.300 -0.102 0.000 0.851 404 R HN 0.446 nan 8.270 nan 0.000 0.434 405 A N 0.289 123.111 122.820 0.002 0.000 2.014 405 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 405 A C 2.195 179.787 177.584 0.014 0.000 1.163 405 A CA 1.298 53.345 52.037 0.016 0.000 0.652 405 A CB -0.259 18.762 19.000 0.035 0.000 0.808 405 A HN 0.353 nan 8.150 nan 0.000 0.449 406 A N -0.644 122.183 122.820 0.011 0.000 2.066 406 A HA 0.144 4.463 4.320 -0.000 0.000 0.218 406 A C 2.013 179.600 177.584 0.006 0.000 1.157 406 A CA 1.575 53.618 52.037 0.010 0.000 0.670 406 A CB -0.381 18.624 19.000 0.009 0.000 0.804 406 A HN 0.326 nan 8.150 nan 0.000 0.453 407 V N -0.560 119.355 119.914 0.001 0.000 2.575 407 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 407 V C 2.252 178.346 176.094 0.001 0.000 1.045 407 V CA 1.611 63.911 62.300 -0.001 0.000 1.065 407 V CB -0.554 31.265 31.823 -0.007 0.000 0.717 407 V HN 0.573 nan 8.190 nan 0.000 0.467 408 E N 0.165 120.366 120.200 0.001 0.000 2.047 408 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 408 E C 1.878 178.484 176.600 0.008 0.000 0.987 408 E CA 1.484 57.886 56.400 0.004 0.000 0.799 408 E CB 0.069 29.772 29.700 0.005 0.000 0.752 408 E HN 0.641 nan 8.360 nan 0.000 0.449 409 E N -1.096 119.111 120.200 0.012 0.000 2.474 409 E HA 0.210 4.559 4.350 -0.000 0.000 0.215 409 E C 0.524 177.132 176.600 0.013 0.000 0.867 409 E CA 0.283 56.691 56.400 0.014 0.000 1.135 409 E CB 1.770 31.481 29.700 0.018 0.000 1.147 409 E HN 0.198 nan 8.360 nan 0.000 0.534 410 G N 1.211 110.019 108.800 0.013 0.000 2.466 410 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.316 410 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.316 410 G C -0.831 174.078 174.900 0.015 0.000 1.270 410 G CA -0.524 44.584 45.100 0.013 0.000 0.982 410 G HN 0.394 nan 8.290 nan 0.000 0.506 411 V N -1.995 117.928 119.914 0.015 0.000 2.588 411 V HA 0.890 5.010 4.120 -0.000 0.000 0.304 411 V C 0.742 176.846 176.094 0.017 0.000 1.042 411 V CA -0.072 62.238 62.300 0.016 0.000 0.877 411 V CB 0.779 32.611 31.823 0.014 0.000 0.996 411 V HN 2.179 nan 8.190 nan 0.000 0.425 412 V N 1.536 121.461 119.914 0.019 0.000 3.302 412 V HA 0.989 5.109 4.120 -0.000 0.000 0.316 412 V C 0.804 176.910 176.094 0.021 0.000 1.111 412 V CA -0.423 61.890 62.300 0.021 0.000 1.029 412 V CB 1.340 33.177 31.823 0.023 0.000 1.170 412 V HN 1.663 nan 8.190 nan 0.000 0.452 413 A N 0.803 123.637 122.820 0.024 0.000 2.454 413 A HA 0.656 4.976 4.320 -0.000 0.000 0.260 413 A C 0.821 178.416 177.584 0.020 0.000 1.106 413 A CA 0.368 52.419 52.037 0.024 0.000 0.780 413 A CB -0.515 18.504 19.000 0.033 0.000 1.044 413 A HN 1.698 nan 8.150 nan 0.000 0.498 414 G N 0.900 109.707 108.800 0.012 0.000 2.486 414 G HA2 0.487 4.447 3.960 -0.000 0.000 0.272 414 G HA3 0.487 4.447 3.960 -0.000 0.000 0.272 414 G C 1.186 176.092 174.900 0.009 0.000 1.426 414 G CA 0.027 45.132 45.100 0.009 0.000 1.058 414 G HN 2.235 nan 8.290 nan 0.000 0.531 415 G N -2.333 106.471 108.800 0.007 0.000 2.166 415 G HA2 0.200 4.160 3.960 -0.000 0.000 0.260 415 G HA3 0.200 4.160 3.960 -0.000 0.000 0.260 415 G C 1.530 176.446 174.900 0.027 0.000 0.986 415 G CA 1.134 46.243 45.100 0.015 0.000 0.683 415 G HN 2.515 nan 8.290 nan 0.000 0.527 416 G N -2.091 106.723 108.800 0.024 0.000 2.153 416 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.252 416 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.252 416 G C 1.767 176.686 174.900 0.031 0.000 0.994 416 G CA 1.941 47.057 45.100 0.026 0.000 0.698 416 G HN 2.243 nan 8.290 nan 0.000 0.521 417 V N -2.855 117.079 119.914 0.033 0.000 2.951 417 V HA 0.455 4.575 4.120 -0.000 0.000 0.255 417 V C 2.734 178.852 176.094 0.041 0.000 1.088 417 V CA 1.661 63.986 62.300 0.041 0.000 1.109 417 V CB -0.563 31.286 31.823 0.044 0.000 0.724 417 V HN 1.295 nan 8.190 nan 0.000 0.471 418 A N 1.262 124.103 122.820 0.034 0.000 1.883 418 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 418 A C 2.199 179.802 177.584 0.031 0.000 1.186 418 A CA 2.382 54.438 52.037 0.032 0.000 0.624 418 A CB -0.713 18.304 19.000 0.028 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.071 120.169 121.223 0.029 0.000 2.109 419 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 419 L C 2.438 179.325 176.870 0.028 0.000 1.086 419 L CA 1.111 55.968 54.840 0.027 0.000 0.760 419 L CB -0.318 41.756 42.059 0.025 0.000 0.910 419 L HN 0.431 nan 8.230 nan 0.000 0.437 420 I N -0.519 120.070 120.570 0.032 0.000 2.676 420 I HA -0.231 3.939 4.170 -0.000 0.000 0.259 420 I C 2.643 178.783 176.117 0.039 0.000 1.194 420 I CA 0.649 61.969 61.300 0.035 0.000 1.473 420 I CB 0.072 38.095 38.000 0.038 0.000 1.096 420 I HN 0.176 nan 8.210 nan 0.000 0.443 421 R N 0.050 120.575 120.500 0.042 0.000 2.093 421 R HA -0.031 4.309 4.340 -0.000 0.000 0.224 421 R C 1.981 178.300 176.300 0.033 0.000 1.101 421 R CA 1.353 57.479 56.100 0.043 0.000 0.979 421 R CB -0.677 29.651 30.300 0.048 0.000 0.877 421 R HN 0.189 nan 8.270 nan 0.000 0.441 422 V N 0.820 120.752 119.914 0.029 0.000 2.407 422 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 422 V C 2.270 178.377 176.094 0.021 0.000 1.055 422 V CA 1.822 64.136 62.300 0.023 0.000 1.049 422 V CB -0.810 31.026 31.823 0.021 0.000 0.662 422 V HN 0.475 nan 8.190 nan 0.000 0.455 423 A N 0.794 123.627 122.820 0.022 0.000 1.908 423 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 423 A C 2.532 180.127 177.584 0.019 0.000 1.181 423 A CA 2.490 54.539 52.037 0.020 0.000 0.627 423 A CB -0.794 18.218 19.000 0.021 0.000 0.818 423 A HN 0.703 nan 8.150 nan 0.000 0.445 424 S N -0.715 114.998 115.700 0.022 0.000 2.453 424 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 424 S C 1.580 176.191 174.600 0.017 0.000 1.005 424 S CA 1.268 59.480 58.200 0.020 0.000 0.949 424 S CB -0.214 63.001 63.200 0.025 0.000 0.774 424 S HN 0.587 nan 8.310 nan 0.000 0.510 425 K N 0.378 120.789 120.400 0.017 0.000 2.426 425 K HA 0.347 4.667 4.320 -0.000 0.000 0.193 425 K C 0.618 177.225 176.600 0.012 0.000 1.028 425 K CA 0.221 56.517 56.287 0.015 0.000 1.047 425 K CB 0.032 32.542 32.500 0.016 0.000 0.821 425 K HN 0.385 nan 8.250 nan 0.000 0.513 426 L N -0.259 120.971 121.223 0.012 0.000 3.066 426 L HA 0.257 4.597 4.340 -0.000 0.000 0.265 426 L C 1.414 178.289 176.870 0.009 0.000 1.232 426 L CA -0.194 54.652 54.840 0.010 0.000 1.031 426 L CB 0.597 42.662 42.059 0.010 0.000 1.379 426 L HN 0.029 nan 8.230 nan 0.000 0.563 427 A N -0.478 122.347 122.820 0.009 0.000 2.067 427 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 427 A C 1.542 179.130 177.584 0.006 0.000 1.158 427 A CA 1.314 53.356 52.037 0.008 0.000 0.661 427 A CB -0.129 18.876 19.000 0.008 0.000 0.801 427 A HN 0.288 nan 8.150 nan 0.000 0.452 428 D N -1.017 119.387 120.400 0.006 0.000 2.340 428 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 428 D C 0.196 176.498 176.300 0.004 0.000 1.039 428 D CA -0.047 53.956 54.000 0.005 0.000 0.866 428 D CB -0.049 40.754 40.800 0.004 0.000 0.913 428 D HN 0.340 nan 8.370 nan 0.000 0.523 429 L N 1.655 122.881 121.223 0.005 0.000 2.410 429 L HA 0.166 4.506 4.340 -0.000 0.000 0.273 429 L C 0.096 176.969 176.870 0.004 0.000 1.152 429 L CA 0.417 55.259 54.840 0.004 0.000 0.855 429 L CB 0.248 42.309 42.059 0.005 0.000 1.129 429 L HN -0.244 nan 8.230 nan 0.000 0.463 430 R N 2.991 123.492 120.500 0.003 0.000 2.867 430 R HA 0.636 4.976 4.340 -0.000 0.000 0.268 430 R C -0.064 176.238 176.300 0.002 0.000 1.014 430 R CA -0.277 55.825 56.100 0.003 0.000 0.946 430 R CB 1.503 31.805 30.300 0.002 0.000 1.208 430 R HN 0.811 nan 8.270 nan 0.000 0.477 431 G N -0.116 108.685 108.800 0.002 0.000 3.075 431 G HA2 0.142 4.102 3.960 -0.000 0.000 0.156 431 G HA3 0.142 4.102 3.960 -0.000 0.000 0.156 431 G C 0.200 175.101 174.900 0.001 0.000 1.403 431 G CA 0.046 45.147 45.100 0.002 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.685 119.116 119.800 0.001 0.000 2.442 432 Q HA 0.165 4.505 4.340 -0.000 0.000 0.228 432 Q C 0.008 176.009 176.000 0.001 0.000 0.902 432 Q CA 0.281 56.085 55.803 0.001 0.000 0.933 432 Q CB 0.458 29.196 28.738 0.001 0.000 1.071 432 Q HN 0.626 nan 8.270 nan 0.000 0.562 433 N N -1.308 117.393 118.700 0.002 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.125 175.637 175.510 0.002 0.000 1.344 433 N CA -0.485 52.566 53.050 0.002 0.000 0.789 433 N CB 0.511 38.999 38.487 0.002 0.000 1.508 433 N HN -0.262 nan 8.380 nan 0.000 0.516 434 E N -0.332 119.869 120.200 0.002 0.000 2.118 434 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 434 E C 0.417 177.018 176.600 0.003 0.000 0.992 434 E CA 1.719 58.120 56.400 0.002 0.000 0.804 434 E CB -0.323 29.378 29.700 0.002 0.000 0.741 434 E HN 0.593 nan 8.360 nan 0.000 0.458 435 D N -0.088 120.314 120.400 0.003 0.000 2.144 435 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 435 D C 1.865 178.167 176.300 0.004 0.000 0.984 435 D CA 0.894 54.896 54.000 0.003 0.000 0.834 435 D CB -0.196 40.606 40.800 0.003 0.000 0.955 435 D HN 0.388 nan 8.370 nan 0.000 0.465 436 Q N 0.080 119.882 119.800 0.003 0.000 2.123 436 Q HA -0.064 4.276 4.340 -0.000 0.000 0.199 436 Q C 1.780 177.782 176.000 0.003 0.000 0.966 436 Q CA 0.553 56.358 55.803 0.003 0.000 0.845 436 Q CB 0.036 28.775 28.738 0.002 0.000 0.907 436 Q HN 0.236 nan 8.270 nan 0.000 0.439 437 N N 0.140 118.842 118.700 0.003 0.000 2.166 437 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 437 N C 1.813 177.326 175.510 0.004 0.000 1.019 437 N CA 1.052 54.104 53.050 0.003 0.000 0.856 437 N CB -0.150 38.339 38.487 0.003 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.565 120.481 119.914 0.004 0.000 2.453 438 V HA -0.065 4.055 4.120 -0.000 0.000 0.247 438 V C 2.448 178.545 176.094 0.005 0.000 1.048 438 V CA 1.729 64.031 62.300 0.004 0.000 1.049 438 V CB -1.150 30.676 31.823 0.004 0.000 0.672 438 V HN 0.298 nan 8.190 nan 0.000 0.457 439 G N 0.341 109.144 108.800 0.005 0.000 2.442 439 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 439 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 439 G C 1.547 176.450 174.900 0.005 0.000 1.141 439 G CA 1.193 46.296 45.100 0.005 0.000 0.763 439 G HN 0.515 nan 8.290 nan 0.000 0.554 440 I N 0.149 120.722 120.570 0.005 0.000 2.233 440 I HA -0.075 4.095 4.170 -0.000 0.000 0.243 440 I C 2.588 178.709 176.117 0.006 0.000 1.093 440 I CA 0.898 62.201 61.300 0.005 0.000 1.380 440 I CB -0.088 37.915 38.000 0.005 0.000 1.067 440 I HN -0.061 nan 8.210 nan 0.000 0.413 441 K N 0.624 121.028 120.400 0.006 0.000 2.209 441 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 441 K C 2.133 178.738 176.600 0.007 0.000 1.048 441 K CA 0.924 57.215 56.287 0.007 0.000 0.940 441 K CB -0.493 32.010 32.500 0.006 0.000 0.729 441 K HN 0.222 nan 8.250 nan 0.000 0.451 442 V N 1.437 121.355 119.914 0.007 0.000 2.307 442 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 442 V C 2.431 178.530 176.094 0.009 0.000 1.045 442 V CA 1.977 64.282 62.300 0.008 0.000 1.024 442 V CB -0.661 31.166 31.823 0.008 0.000 0.651 442 V HN 0.282 nan 8.190 nan 0.000 0.449 443 A N -0.498 122.328 122.820 0.009 0.000 1.930 443 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 443 A C 2.168 179.759 177.584 0.011 0.000 1.175 443 A CA 1.508 53.551 52.037 0.010 0.000 0.627 443 A CB -0.439 18.567 19.000 0.009 0.000 0.815 443 A HN 0.513 nan 8.150 nan 0.000 0.443 444 L N -1.365 119.864 121.223 0.011 0.000 2.109 444 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 444 L C 2.670 179.547 176.870 0.012 0.000 1.086 444 L CA 0.950 55.797 54.840 0.012 0.000 0.760 444 L CB -0.363 41.703 42.059 0.011 0.000 0.910 444 L HN 0.297 nan 8.230 nan 0.000 0.437 445 R N -0.184 120.322 120.500 0.011 0.000 2.276 445 R HA 0.026 4.366 4.340 -0.000 0.000 0.203 445 R C 2.193 178.500 176.300 0.011 0.000 1.017 445 R CA 0.788 56.895 56.100 0.011 0.000 1.010 445 R CB -0.096 30.209 30.300 0.009 0.000 0.900 445 R HN 0.301 nan 8.270 nan 0.000 0.469 446 A N 0.427 123.254 122.820 0.012 0.000 2.021 446 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 446 A C 1.921 179.515 177.584 0.015 0.000 1.163 446 A CA 0.636 52.681 52.037 0.013 0.000 0.676 446 A CB -0.106 18.903 19.000 0.014 0.000 0.818 446 A HN 0.151 nan 8.150 nan 0.000 0.453 447 M N -0.488 119.121 119.600 0.016 0.000 2.476 447 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 447 M C 1.592 177.903 176.300 0.019 0.000 1.079 447 M CA 0.942 56.253 55.300 0.018 0.000 1.104 447 M CB -0.146 32.466 32.600 0.019 0.000 1.409 447 M HN 0.431 nan 8.290 nan 0.000 0.467 448 E N 0.384 120.594 120.200 0.016 0.000 2.216 448 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 448 E C 2.145 178.752 176.600 0.012 0.000 0.988 448 E CA 0.839 57.248 56.400 0.015 0.000 0.834 448 E CB -0.045 29.663 29.700 0.013 0.000 0.772 448 E HN 0.517 nan 8.360 nan 0.000 0.479 449 A N 2.188 125.014 122.820 0.011 0.000 1.908 449 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 449 A C -0.327 177.262 177.584 0.009 0.000 1.181 449 A CA 1.149 53.191 52.037 0.009 0.000 0.627 449 A CB -1.392 17.614 19.000 0.010 0.000 0.818 449 A HN 0.129 nan 8.150 nan 0.000 0.445 450 P HA -0.185 nan 4.420 nan 0.000 0.214 450 P C 1.804 179.112 177.300 0.013 0.000 1.163 450 P CA 1.067 64.175 63.100 0.014 0.000 0.889 450 P CB -0.135 31.576 31.700 0.018 0.000 0.790 451 L N -0.712 120.520 121.223 0.015 0.000 1.989 451 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 451 L C 2.516 179.386 176.870 -0.000 0.000 1.071 451 L CA 1.801 56.650 54.840 0.015 0.000 0.749 451 L CB -0.369 41.702 42.059 0.020 0.000 0.890 451 L HN -0.201 nan 8.230 nan 0.000 0.431 452 R N -0.869 119.628 120.500 -0.006 0.000 2.127 452 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 452 R C 2.296 178.586 176.300 -0.016 0.000 1.134 452 R CA 1.696 57.785 56.100 -0.018 0.000 0.975 452 R CB -0.282 30.012 30.300 -0.011 0.000 0.865 452 R HN 0.408 nan 8.270 nan 0.000 0.447 453 Q N 0.727 120.524 119.800 -0.005 0.000 2.172 453 Q HA -0.012 4.328 4.340 -0.000 0.000 0.200 453 Q C 1.772 177.772 176.000 0.001 0.000 0.964 453 Q CA 1.277 57.079 55.803 -0.002 0.000 0.855 453 Q CB 0.067 28.807 28.738 0.003 0.000 0.918 453 Q HN 0.342 nan 8.270 nan 0.000 0.444 454 I N -0.881 119.693 120.570 0.007 0.000 2.252 454 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 454 I C 1.905 178.035 176.117 0.023 0.000 1.102 454 I CA 0.699 62.012 61.300 0.021 0.000 1.385 454 I CB -0.256 37.766 38.000 0.037 0.000 1.064 454 I HN 0.005 nan 8.210 nan 0.000 0.414 455 V N 0.735 120.643 119.914 -0.010 0.000 2.407 455 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 455 V C 2.405 178.473 176.094 -0.043 0.000 1.055 455 V CA 1.455 63.716 62.300 -0.065 0.000 1.049 455 V CB -0.520 31.199 31.823 -0.174 0.000 0.662 455 V HN 0.344 nan 8.190 nan 0.000 0.455 456 L N 0.955 122.161 121.223 -0.029 0.000 2.046 456 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 456 L C 2.156 179.022 176.870 -0.007 0.000 1.077 456 L CA 1.935 56.764 54.840 -0.019 0.000 0.747 456 L CB -0.789 41.262 42.059 -0.014 0.000 0.896 456 L HN 0.334 nan 8.230 nan 0.000 0.432 457 N N -1.546 117.154 118.700 0.001 0.000 2.309 457 N HA -0.176 4.564 4.740 -0.000 0.000 0.182 457 N C 1.830 177.348 175.510 0.013 0.000 1.018 457 N CA 1.352 54.406 53.050 0.006 0.000 0.876 457 N CB -0.976 37.516 38.487 0.008 0.000 0.972 457 N HN 0.460 nan 8.380 nan 0.000 0.434 458 C N -0.098 119.216 119.300 0.023 0.000 2.522 458 C HA 0.299 4.759 4.460 -0.000 0.000 0.271 458 C C 1.814 176.821 174.990 0.027 0.000 1.425 458 C CA 0.809 59.852 59.018 0.042 0.000 1.751 458 C CB -1.578 26.224 27.740 0.105 0.000 1.775 458 C HN 0.636 nan 8.230 nan 0.000 0.557 459 G N 0.393 109.197 108.800 0.008 0.000 2.253 459 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.251 459 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.251 459 G C 0.018 174.914 174.900 -0.007 0.000 0.998 459 G CA 0.395 45.497 45.100 0.002 0.000 0.621 459 G HN 0.573 nan 8.290 nan 0.000 0.524 460 E N 1.317 121.505 120.200 -0.020 0.000 2.374 460 E HA 0.342 4.692 4.350 -0.000 0.000 0.260 460 E C 0.365 176.925 176.600 -0.066 0.000 1.101 460 E CA -0.296 56.075 56.400 -0.048 0.000 0.907 460 E CB 0.494 30.136 29.700 -0.097 0.000 1.014 460 E HN 0.589 nan 8.360 nan 0.000 0.427 461 E N 3.084 123.250 120.200 -0.057 0.000 2.265 461 E HA 0.003 4.353 4.350 -0.000 0.000 0.272 461 E C -1.393 175.162 176.600 -0.073 0.000 1.067 461 E CA -1.349 55.022 56.400 -0.049 0.000 0.900 461 E CB 0.675 30.358 29.700 -0.028 0.000 1.017 461 E HN 0.227 nan 8.360 nan 0.000 0.431 462 P HA -0.203 nan 4.420 nan 0.000 0.217 462 P C 1.120 178.388 177.300 -0.053 0.000 1.150 462 P CA 1.192 64.248 63.100 -0.073 0.000 0.832 462 P CB 0.232 31.904 31.700 -0.046 0.000 0.787 463 S N 0.087 115.767 115.700 -0.033 0.000 2.370 463 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 463 S C 2.163 176.754 174.600 -0.015 0.000 1.033 463 S CA 1.570 59.759 58.200 -0.019 0.000 1.011 463 S CB -1.900 61.293 63.200 -0.012 0.000 0.852 463 S HN -0.009 nan 8.310 nan 0.000 0.457 464 V N 1.666 121.568 119.914 -0.020 0.000 2.307 464 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 464 V C 2.599 178.696 176.094 0.005 0.000 1.045 464 V CA 1.501 63.797 62.300 -0.006 0.000 1.024 464 V CB -0.847 30.975 31.823 -0.003 0.000 0.651 464 V HN 0.424 nan 8.190 nan 0.000 0.449 465 V N 0.338 120.231 119.914 -0.035 0.000 2.307 465 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 465 V C 2.729 178.839 176.094 0.027 0.000 1.045 465 V CA 1.901 64.184 62.300 -0.028 0.000 1.024 465 V CB -1.069 30.556 31.823 -0.330 0.000 0.651 465 V HN 0.538 nan 8.190 nan 0.000 0.449 466 A N 0.237 123.052 122.820 -0.008 0.000 1.933 466 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 466 A C 2.033 179.639 177.584 0.037 0.000 1.175 466 A CA 2.305 54.353 52.037 0.018 0.000 0.628 466 A CB -0.835 18.166 19.000 0.003 0.000 0.814 466 A HN 0.603 nan 8.150 nan 0.000 0.444 467 N N -0.720 117.996 118.700 0.026 0.000 2.244 467 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 467 N C 1.584 177.115 175.510 0.036 0.000 1.016 467 N CA 1.950 55.015 53.050 0.025 0.000 0.866 467 N CB -0.185 38.310 38.487 0.013 0.000 0.980 467 N HN 0.437 nan 8.380 nan 0.000 0.430 468 T N -1.084 113.497 114.554 0.045 0.000 2.896 468 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 468 T C 1.931 176.712 174.700 0.135 0.000 1.050 468 T CA 0.753 62.873 62.100 0.033 0.000 1.140 468 T CB -0.224 68.599 68.868 -0.075 0.000 0.877 468 T HN -0.019 nan 8.240 nan 0.000 0.457 469 V N 1.550 121.562 119.914 0.164 0.000 2.427 469 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 469 V C 2.448 178.652 176.094 0.183 0.000 1.051 469 V CA 1.415 63.841 62.300 0.210 0.000 1.048 469 V CB -0.464 31.444 31.823 0.141 0.000 0.666 469 V HN 0.438 nan 8.190 nan 0.000 0.456 470 K N 0.196 120.662 120.400 0.110 0.000 2.148 470 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 470 K C 2.237 178.874 176.600 0.062 0.000 1.050 470 K CA 1.227 57.559 56.287 0.076 0.000 0.942 470 K CB -0.471 32.058 32.500 0.048 0.000 0.724 470 K HN 0.556 nan 8.250 nan 0.000 0.446 471 G N 1.234 110.067 108.800 0.054 0.000 2.402 471 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 471 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 471 G C 0.760 175.652 174.900 -0.013 0.000 1.162 471 G CA 0.660 45.768 45.100 0.014 0.000 0.777 471 G HN 0.368 nan 8.290 nan 0.000 0.539 472 G N -0.619 108.180 108.800 -0.001 0.000 2.572 472 G HA2 0.469 4.429 3.960 -0.000 0.000 0.261 472 G HA3 0.469 4.429 3.960 -0.000 0.000 0.261 472 G C -1.082 173.829 174.900 0.019 0.000 1.197 472 G CA -0.362 44.669 45.100 -0.116 0.000 0.870 472 G HN 0.136 nan 8.290 nan 0.000 0.548 473 D N -0.971 119.416 120.400 -0.022 0.000 2.419 473 D HA 0.614 5.254 4.640 -0.000 0.000 0.234 473 D C 0.820 177.163 176.300 0.071 0.000 1.014 473 D CA 0.948 54.969 54.000 0.034 0.000 0.919 473 D CB 1.915 42.716 40.800 0.002 0.000 1.366 473 D HN 0.878 nan 8.370 nan 0.000 0.490 474 G N 1.421 110.267 108.800 0.077 0.000 2.496 474 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.243 474 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.243 474 G C 0.077 175.042 174.900 0.108 0.000 1.176 474 G CA -0.363 44.785 45.100 0.079 0.000 0.940 474 G HN 0.590 nan 8.290 nan 0.000 0.573 475 N N 0.495 119.262 118.700 0.111 0.000 2.346 475 N HA 0.181 4.921 4.740 -0.000 0.000 0.225 475 N C -0.295 175.302 175.510 0.145 0.000 1.144 475 N CA -0.040 53.072 53.050 0.103 0.000 0.837 475 N CB 0.348 38.877 38.487 0.070 0.000 1.069 475 N HN 0.444 nan 8.380 nan 0.000 0.487 476 Y N 1.147 121.479 120.300 0.053 0.000 2.365 476 Y HA 0.428 4.978 4.550 -0.000 0.000 0.340 476 Y C 0.438 176.405 175.900 0.112 0.000 1.016 476 Y CA -0.232 57.914 58.100 0.076 0.000 1.196 476 Y CB 0.456 38.952 38.460 0.061 0.000 1.167 476 Y HN -0.014 nan 8.280 nan 0.000 0.509 477 G N 4.184 112.797 108.800 -0.312 0.000 2.870 477 G HA2 0.255 4.215 3.960 -0.000 0.000 0.299 477 G HA3 0.255 4.215 3.960 -0.000 0.000 0.299 477 G C -2.419 172.389 174.900 -0.153 0.000 1.324 477 G CA -0.900 44.087 45.100 -0.187 0.000 0.808 477 G HN 0.520 nan 8.290 nan 0.000 0.535 478 Y N 1.296 121.476 120.300 -0.199 0.000 2.335 478 Y HA 0.568 5.118 4.550 0.000 0.000 0.338 478 Y C -0.204 175.552 175.900 -0.241 0.000 0.977 478 Y CA -1.232 56.669 58.100 -0.331 0.000 1.114 478 Y CB 1.581 39.833 38.460 -0.347 0.000 1.182 478 Y HN 0.411 nan 8.280 nan 0.000 0.463 479 N N 4.632 122.857 118.700 -0.792 0.000 2.437 479 N HA 0.218 4.958 4.740 -0.000 0.000 0.243 479 N C 0.311 175.295 175.510 -0.878 0.000 1.041 479 N CA 0.527 53.213 53.050 -0.607 0.000 0.940 479 N CB 1.531 39.776 38.487 -0.404 0.000 1.133 479 N HN 0.916 nan 8.380 nan 0.000 0.506 480 A N 3.740 126.288 122.820 -0.454 0.000 2.014 480 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 480 A C 1.996 179.486 177.584 -0.157 0.000 1.163 480 A CA 1.416 53.335 52.037 -0.196 0.000 0.652 480 A CB -0.419 18.611 19.000 0.051 0.000 0.808 480 A HN 0.699 nan 8.150 nan 0.000 0.449 481 A N -0.191 122.533 122.820 -0.160 0.000 1.898 481 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 481 A C 2.293 179.804 177.584 -0.122 0.000 1.181 481 A CA 2.313 54.284 52.037 -0.109 0.000 0.620 481 A CB -0.943 18.003 19.000 -0.090 0.000 0.819 481 A HN 0.729 nan 8.150 nan 0.000 0.442 482 T N -3.871 110.573 114.554 -0.183 0.000 3.040 482 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 482 T C 0.309 174.897 174.700 -0.186 0.000 1.058 482 T CA 0.663 62.669 62.100 -0.157 0.000 0.988 482 T CB -0.177 68.606 68.868 -0.142 0.000 0.993 482 T HN 0.576 nan 8.240 nan 0.000 0.519 483 E N 1.006 121.024 120.200 -0.303 0.000 2.637 483 E HA -0.141 4.209 4.350 -0.000 0.000 0.265 483 E C -0.744 175.658 176.600 -0.330 0.000 1.073 483 E CA 0.541 56.763 56.400 -0.297 0.000 0.778 483 E CB -1.011 28.664 29.700 -0.043 0.000 1.362 483 E HN 0.637 nan 8.360 nan 0.000 0.413 484 E N -0.205 119.712 120.200 -0.471 0.000 2.212 484 E HA 0.358 4.708 4.350 -0.000 0.000 0.268 484 E C -0.471 175.890 176.600 -0.399 0.000 0.902 484 E CA -0.621 55.613 56.400 -0.276 0.000 0.779 484 E CB 1.067 30.684 29.700 -0.138 0.000 1.172 484 E HN 0.052 nan 8.360 nan 0.000 0.409 485 Y N 0.193 120.444 120.300 -0.081 0.000 2.326 485 Y HA 0.567 5.117 4.550 -0.000 0.000 0.324 485 Y C 1.248 177.102 175.900 -0.077 0.000 1.291 485 Y CA 0.610 58.644 58.100 -0.110 0.000 1.348 485 Y CB 1.562 40.016 38.460 -0.010 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.544 109.366 108.800 0.037 0.000 2.356 486 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.288 486 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.288 486 G C -1.810 173.146 174.900 0.094 0.000 1.302 486 G CA -1.245 43.937 45.100 0.137 0.000 0.887 486 G HN 0.539 nan 8.290 nan 0.000 0.521 487 N N 0.917 119.694 118.700 0.128 0.000 2.452 487 N HA 0.101 4.841 4.740 -0.000 0.000 0.266 487 N C 1.718 177.250 175.510 0.036 0.000 1.209 487 N CA -0.311 52.797 53.050 0.098 0.000 0.929 487 N CB 0.740 39.280 38.487 0.088 0.000 1.063 487 N HN 0.395 nan 8.380 nan 0.000 0.472 488 M N 3.655 123.269 119.600 0.025 0.000 2.132 488 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 488 M C 1.733 178.035 176.300 0.003 0.000 1.065 488 M CA 0.922 56.221 55.300 -0.002 0.000 1.122 488 M CB -0.627 31.972 32.600 -0.001 0.000 1.365 488 M HN 0.526 nan 8.290 nan 0.000 0.411 489 I N 0.784 121.364 120.570 0.017 0.000 2.208 489 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 489 I C 1.808 177.931 176.117 0.011 0.000 1.097 489 I CA 1.509 62.817 61.300 0.014 0.000 1.363 489 I CB -1.654 36.359 38.000 0.021 0.000 1.051 489 I HN 0.248 nan 8.210 nan 0.000 0.413 490 D N 0.342 120.751 120.400 0.016 0.000 2.219 490 D HA -0.113 4.526 4.640 -0.000 0.000 0.205 490 D C 2.185 178.487 176.300 0.002 0.000 0.970 490 D CA 0.980 54.987 54.000 0.013 0.000 0.851 490 D CB -0.070 40.743 40.800 0.022 0.000 0.943 490 D HN 0.346 nan 8.370 nan 0.000 0.488 491 M N -0.876 118.721 119.600 -0.005 0.000 2.561 491 M HA 0.137 4.617 4.480 -0.000 0.000 0.238 491 M C 1.101 177.387 176.300 -0.023 0.000 1.131 491 M CA 0.377 55.665 55.300 -0.021 0.000 1.046 491 M CB 0.713 33.290 32.600 -0.039 0.000 1.532 491 M HN 0.095 nan 8.290 nan 0.000 0.497 492 G N 1.696 110.488 108.800 -0.014 0.000 2.179 492 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 492 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 492 G C 0.128 175.019 174.900 -0.015 0.000 0.977 492 G CA -0.225 44.868 45.100 -0.012 0.000 0.641 492 G HN 0.478 nan 8.290 nan 0.000 0.533 493 I N 1.546 122.104 120.570 -0.020 0.000 2.308 493 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 493 I C 0.270 176.382 176.117 -0.009 0.000 1.078 493 I CA -0.525 60.762 61.300 -0.021 0.000 1.292 493 I CB 0.359 38.337 38.000 -0.037 0.000 1.423 493 I HN 0.263 nan 8.210 nan 0.000 0.493 494 L N 4.032 125.253 121.223 -0.003 0.000 2.466 494 L HA 0.711 5.051 4.340 -0.000 0.000 0.258 494 L C -1.416 175.458 176.870 0.007 0.000 0.973 494 L CA -0.826 54.017 54.840 0.004 0.000 0.826 494 L CB 1.666 43.730 42.059 0.007 0.000 1.372 494 L HN 0.099 nan 8.230 nan 0.000 0.409 495 D N 1.118 121.526 120.400 0.012 0.000 2.375 495 D HA 0.483 5.123 4.640 -0.000 0.000 0.247 495 D C -2.709 173.603 176.300 0.019 0.000 1.061 495 D CA -1.277 52.732 54.000 0.015 0.000 0.834 495 D CB 2.319 43.129 40.800 0.017 0.000 1.247 495 D HN 0.373 nan 8.370 nan 0.000 0.489 496 P HA 0.033 nan 4.420 nan 0.000 0.264 496 P C 0.903 178.219 177.300 0.026 0.000 1.193 496 P CA 0.062 63.176 63.100 0.024 0.000 0.763 496 P CB 0.599 32.316 31.700 0.028 0.000 0.810 497 T N 2.580 117.149 114.554 0.024 0.000 2.737 497 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 497 T C 1.624 176.343 174.700 0.031 0.000 1.040 497 T CA 1.348 63.463 62.100 0.025 0.000 1.142 497 T CB -0.308 68.573 68.868 0.022 0.000 0.861 497 T HN 0.492 nan 8.240 nan 0.000 0.456 498 K N 0.540 120.959 120.400 0.033 0.000 2.032 498 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 498 K C 2.383 179.015 176.600 0.053 0.000 1.048 498 K CA 1.375 57.687 56.287 0.042 0.000 0.927 498 K CB -0.496 32.028 32.500 0.041 0.000 0.712 498 K HN 0.238 nan 8.250 nan 0.000 0.441 499 V N 0.799 120.741 119.914 0.047 0.000 2.427 499 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 499 V C 1.654 177.779 176.094 0.050 0.000 1.051 499 V CA 2.536 64.865 62.300 0.049 0.000 1.048 499 V CB -0.389 31.456 31.823 0.037 0.000 0.666 499 V HN 0.468 nan 8.190 nan 0.000 0.456 500 T N 0.120 114.699 114.554 0.042 0.000 2.857 500 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 500 T C 1.958 176.686 174.700 0.047 0.000 1.048 500 T CA 1.583 63.707 62.100 0.040 0.000 1.139 500 T CB -0.312 68.575 68.868 0.032 0.000 0.874 500 T HN 0.520 nan 8.240 nan 0.000 0.455 501 R N 1.010 121.537 120.500 0.047 0.000 2.075 501 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 501 R C 2.498 178.838 176.300 0.066 0.000 1.126 501 R CA 1.478 57.604 56.100 0.043 0.000 0.963 501 R CB -0.287 30.034 30.300 0.034 0.000 0.858 501 R HN 0.231 nan 8.270 nan 0.000 0.435 502 S N 0.539 116.303 115.700 0.107 0.000 2.356 502 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 502 S C 1.992 176.739 174.600 0.246 0.000 1.032 502 S CA 1.155 59.486 58.200 0.218 0.000 1.005 502 S CB -0.198 63.135 63.200 0.222 0.000 0.867 502 S HN 0.560 nan 8.310 nan 0.000 0.449 503 A N 1.067 123.969 122.820 0.136 0.000 1.940 503 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 503 A C 2.131 179.777 177.584 0.102 0.000 1.176 503 A CA 1.428 53.529 52.037 0.106 0.000 0.631 503 A CB -0.604 18.432 19.000 0.060 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.446 504 L N -0.681 120.588 121.223 0.077 0.000 2.068 504 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 504 L C 2.487 179.383 176.870 0.043 0.000 1.076 504 L CA 2.066 56.937 54.840 0.051 0.000 0.753 504 L CB -0.671 41.407 42.059 0.032 0.000 0.910 504 L HN 0.468 nan 8.230 nan 0.000 0.439 505 Q N -1.588 118.225 119.800 0.022 0.000 2.050 505 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 505 Q C 2.180 178.135 176.000 -0.076 0.000 0.980 505 Q CA 2.322 58.089 55.803 -0.060 0.000 0.840 505 Q CB -0.336 28.315 28.738 -0.145 0.000 0.898 505 Q HN 0.516 nan 8.270 nan 0.000 0.424 506 Y N -0.079 120.225 120.300 0.007 0.000 2.163 506 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 506 Y C 2.366 178.269 175.900 0.006 0.000 1.136 506 Y CA 1.174 59.278 58.100 0.006 0.000 1.147 506 Y CB -0.482 37.981 38.460 0.005 0.000 0.987 506 Y HN 0.149 nan 8.280 nan 0.000 0.509 507 A N -0.223 122.694 122.820 0.162 0.000 1.972 507 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 507 A C 2.374 179.993 177.584 0.058 0.000 1.169 507 A CA 1.766 53.858 52.037 0.092 0.000 0.635 507 A CB -1.105 17.937 19.000 0.069 0.000 0.810 507 A HN 0.411 nan 8.150 nan 0.000 0.446 508 A N -1.116 121.728 122.820 0.039 0.000 1.930 508 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 508 A C 2.419 180.010 177.584 0.012 0.000 1.176 508 A CA 1.789 53.837 52.037 0.018 0.000 0.632 508 A CB -0.865 18.136 19.000 0.003 0.000 0.819 508 A HN 0.517 nan 8.150 nan 0.000 0.445 509 S N -0.710 114.992 115.700 0.004 0.000 2.359 509 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 509 S C 1.972 176.587 174.600 0.025 0.000 1.035 509 S CA 1.830 60.028 58.200 -0.002 0.000 1.018 509 S CB -0.513 62.669 63.200 -0.030 0.000 0.876 509 S HN 0.440 nan 8.310 nan 0.000 0.448 510 V N 1.572 121.516 119.914 0.049 0.000 2.358 510 V HA 0.010 4.130 4.120 -0.000 0.000 0.246 510 V C 2.624 178.738 176.094 0.034 0.000 1.047 510 V CA 1.964 64.292 62.300 0.047 0.000 1.035 510 V CB -1.043 30.815 31.823 0.059 0.000 0.658 510 V HN 0.583 nan 8.190 nan 0.000 0.452 511 A N -0.003 122.836 122.820 0.031 0.000 1.940 511 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 511 A C 2.339 179.935 177.584 0.020 0.000 1.176 511 A CA 1.979 54.030 52.037 0.025 0.000 0.631 511 A CB -1.379 17.635 19.000 0.023 0.000 0.814 511 A HN 0.653 nan 8.150 nan 0.000 0.446 512 G N -0.208 108.602 108.800 0.017 0.000 2.418 512 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 512 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 512 G C 1.551 176.460 174.900 0.015 0.000 1.158 512 G CA 1.061 46.169 45.100 0.012 0.000 0.771 512 G HN 0.442 nan 8.290 nan 0.000 0.545 513 L N -0.357 120.877 121.223 0.018 0.000 2.093 513 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 513 L C 3.030 179.914 176.870 0.022 0.000 1.085 513 L CA 0.829 55.681 54.840 0.019 0.000 0.755 513 L CB -0.234 41.838 42.059 0.022 0.000 0.904 513 L HN 0.211 nan 8.230 nan 0.000 0.435 514 M N -0.920 118.694 119.600 0.023 0.000 2.319 514 M HA -0.130 4.350 4.480 -0.000 0.000 0.265 514 M C 2.148 178.462 176.300 0.023 0.000 1.068 514 M CA 1.492 56.807 55.300 0.025 0.000 1.118 514 M CB -0.039 32.577 32.600 0.026 0.000 1.395 514 M HN 0.213 nan 8.290 nan 0.000 0.435 515 I N -0.195 120.387 120.570 0.020 0.000 2.439 515 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 515 I C 1.805 177.934 176.117 0.019 0.000 1.139 515 I CA 1.208 62.519 61.300 0.018 0.000 1.438 515 I CB -0.160 37.849 38.000 0.015 0.000 1.085 515 I HN 0.322 nan 8.210 nan 0.000 0.427 516 T N -2.546 112.021 114.554 0.020 0.000 3.272 516 T HA 0.107 4.457 4.350 -0.000 0.000 0.250 516 T C 0.619 175.336 174.700 0.027 0.000 1.082 516 T CA -0.172 61.941 62.100 0.022 0.000 0.968 516 T CB -0.738 68.141 68.868 0.019 0.000 1.015 516 T HN -0.009 nan 8.240 nan 0.000 0.563 517 T N 2.379 116.950 114.554 0.029 0.000 2.780 517 T HA 0.292 4.642 4.350 -0.000 0.000 0.294 517 T C 0.622 175.346 174.700 0.041 0.000 0.949 517 T CA -0.539 61.581 62.100 0.034 0.000 1.074 517 T CB 1.589 70.476 68.868 0.032 0.000 0.910 517 T HN 0.126 nan 8.240 nan 0.000 0.501 518 E N 0.471 120.704 120.200 0.055 0.000 2.421 518 E HA 0.156 4.506 4.350 -0.000 0.000 0.209 518 E C 0.103 176.763 176.600 0.102 0.000 0.871 518 E CA 0.149 56.599 56.400 0.083 0.000 1.064 518 E CB 0.882 30.642 29.700 0.099 0.000 1.075 518 E HN 0.577 nan 8.360 nan 0.000 0.513 519 C N 1.012 120.347 119.300 0.058 0.000 2.609 519 C HA 0.703 5.163 4.460 -0.000 0.000 0.313 519 C C -1.043 173.918 174.990 -0.048 0.000 1.175 519 C CA -0.526 58.469 59.018 -0.038 0.000 1.434 519 C CB 0.226 27.979 27.740 0.022 0.000 2.005 519 C HN 0.152 nan 8.230 nan 0.000 0.471 520 M N 5.311 124.863 119.600 -0.080 0.000 2.326 520 M HA 0.568 5.048 4.480 -0.000 0.000 0.306 520 M C -1.114 175.244 176.300 0.097 0.000 1.054 520 M CA -0.505 54.839 55.300 0.074 0.000 0.922 520 M CB 2.119 34.875 32.600 0.260 0.000 1.632 520 M HN 0.387 nan 8.290 nan 0.000 0.436 521 V N 1.736 121.661 119.914 0.017 0.000 2.407 521 V HA 0.673 4.793 4.120 -0.000 0.000 0.291 521 V C -0.312 175.708 176.094 -0.123 0.000 1.018 521 V CA -0.403 61.877 62.300 -0.034 0.000 0.842 521 V CB 1.810 33.612 31.823 -0.035 0.000 0.996 521 V HN 0.936 nan 8.190 nan 0.000 0.426 522 T N 2.136 116.554 114.554 -0.227 0.000 2.838 522 T HA 0.451 4.801 4.350 -0.000 0.000 0.292 522 T C -1.126 173.444 174.700 -0.216 0.000 1.113 522 T CA -0.540 61.376 62.100 -0.306 0.000 1.008 522 T CB 1.894 70.400 68.868 -0.603 0.000 1.259 522 T HN 0.616 nan 8.240 nan 0.000 0.520 523 D N 1.389 121.682 120.400 -0.178 0.000 2.382 523 D HA 0.308 4.948 4.640 -0.000 0.000 0.240 523 D C -0.135 176.101 176.300 -0.107 0.000 1.146 523 D CA -0.041 53.892 54.000 -0.112 0.000 0.897 523 D CB 0.489 41.238 40.800 -0.085 0.000 1.197 523 D HN 0.337 nan 8.370 nan 0.000 0.432 524 L N 3.522 124.711 121.223 -0.055 0.000 2.349 524 L HA 0.299 4.639 4.340 -0.000 0.000 0.275 524 L C -1.628 175.227 176.870 -0.024 0.000 1.115 524 L CA -0.964 53.860 54.840 -0.027 0.000 0.820 524 L CB 0.231 42.287 42.059 -0.005 0.000 1.135 524 L HN 0.373 nan 8.230 nan 0.000 0.445 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.706 31.700 0.011 0.000 0.726