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 1sx4_1_N 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 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 A N 3.441 126.260 122.820 -0.001 0.000 2.477 3 A HA 0.563 4.883 4.320 -0.000 0.000 0.246 3 A C 0.446 178.030 177.584 -0.000 0.000 1.078 3 A CA 0.185 52.224 52.037 0.004 0.000 0.770 3 A CB 0.156 19.163 19.000 0.010 0.000 1.011 3 A HN 0.631 nan 8.150 nan 0.000 0.494 4 K N 1.389 121.792 120.400 0.004 0.000 2.132 4 K HA 0.428 4.747 4.320 -0.000 0.000 0.241 4 K C -1.071 175.548 176.600 0.031 0.000 1.000 4 K CA -0.672 55.614 56.287 -0.002 0.000 0.911 4 K CB 1.085 33.579 32.500 -0.010 0.000 1.093 4 K HN 0.692 nan 8.250 nan 0.000 0.460 5 D N 0.878 121.302 120.400 0.041 0.000 2.408 5 D HA 0.311 4.950 4.640 -0.000 0.000 0.243 5 D C -1.330 175.103 176.300 0.221 0.000 1.075 5 D CA -0.611 53.472 54.000 0.137 0.000 0.832 5 D CB 1.213 42.119 40.800 0.176 0.000 1.162 5 D HN 0.081 nan 8.370 nan 0.000 0.515 6 V N 4.011 124.032 119.914 0.178 0.000 2.448 6 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 6 V C 0.165 176.251 176.094 -0.013 0.000 1.025 6 V CA -0.780 61.560 62.300 0.066 0.000 0.859 6 V CB 1.658 33.478 31.823 -0.005 0.000 0.988 6 V HN 0.379 nan 8.190 nan 0.000 0.431 7 K N 3.181 123.480 120.400 -0.169 0.000 2.316 7 K HA 0.737 5.057 4.320 -0.000 0.000 0.251 7 K C -1.637 174.721 176.600 -0.402 0.000 0.934 7 K CA -0.446 55.673 56.287 -0.280 0.000 0.802 7 K CB 2.051 34.181 32.500 -0.617 0.000 1.171 7 K HN 0.497 nan 8.250 nan 0.000 0.426 8 F N 0.826 120.734 119.950 -0.069 0.000 2.522 8 F HA 0.354 4.881 4.527 -0.001 0.000 0.324 8 F C 1.369 177.144 175.800 -0.042 0.000 1.077 8 F CA 0.236 58.214 58.000 -0.035 0.000 0.944 8 F CB 1.877 40.864 39.000 -0.022 0.000 1.175 8 F HN 0.822 nan 8.300 nan 0.000 0.468 9 G N 2.449 111.362 108.800 0.189 0.000 2.684 9 G HA2 -0.519 3.441 3.960 -0.000 0.000 0.358 9 G HA3 -0.519 3.441 3.960 -0.000 0.000 0.358 9 G C 1.344 176.272 174.900 0.047 0.000 1.164 9 G CA 1.624 46.786 45.100 0.104 0.000 0.935 9 G HN 0.671 nan 8.290 nan 0.000 0.574 10 N N 1.248 119.970 118.700 0.038 0.000 2.039 10 N HA -0.043 4.696 4.740 -0.000 0.000 0.193 10 N C 1.908 177.407 175.510 -0.018 0.000 1.044 10 N CA 1.977 55.032 53.050 0.008 0.000 0.847 10 N CB -0.396 38.094 38.487 0.005 0.000 1.030 10 N HN 0.570 nan 8.380 nan 0.000 0.422 11 D N 0.608 120.991 120.400 -0.028 0.000 2.205 11 D HA -0.258 4.382 4.640 -0.000 0.000 0.190 11 D C 1.850 178.067 176.300 -0.139 0.000 1.002 11 D CA 1.729 55.675 54.000 -0.089 0.000 0.848 11 D CB -1.064 39.670 40.800 -0.111 0.000 0.975 11 D HN 0.328 nan 8.370 nan 0.000 0.449 12 A N 1.423 124.153 122.820 -0.151 0.000 1.893 12 A HA -0.362 3.958 4.320 -0.000 0.000 0.222 12 A C 2.199 179.740 177.584 -0.072 0.000 1.309 12 A CA 2.995 54.945 52.037 -0.146 0.000 0.681 12 A CB -0.920 18.030 19.000 -0.084 0.000 0.842 12 A HN 0.280 nan 8.150 nan 0.000 0.468 13 R N -1.225 119.255 120.500 -0.034 0.000 2.081 13 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 13 R C 2.109 178.401 176.300 -0.014 0.000 1.131 13 R CA 1.296 57.389 56.100 -0.011 0.000 0.960 13 R CB -0.811 29.489 30.300 0.000 0.000 0.856 13 R HN 0.412 nan 8.270 nan 0.000 0.436 14 V N 1.952 121.850 119.914 -0.027 0.000 2.231 14 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 14 V C 2.290 178.372 176.094 -0.020 0.000 1.054 14 V CA 1.809 64.095 62.300 -0.023 0.000 1.015 14 V CB -0.408 31.397 31.823 -0.030 0.000 0.638 14 V HN 0.223 nan 8.190 nan 0.000 0.444 15 K N -0.668 119.706 120.400 -0.044 0.000 2.077 15 K HA -0.232 4.088 4.320 -0.000 0.000 0.213 15 K C 2.081 178.700 176.600 0.032 0.000 1.051 15 K CA 1.955 58.235 56.287 -0.012 0.000 0.929 15 K CB -0.767 31.697 32.500 -0.060 0.000 0.715 15 K HN 0.424 nan 8.250 nan 0.000 0.451 16 M N -0.129 119.488 119.600 0.029 0.000 2.108 16 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 16 M C 2.130 178.448 176.300 0.030 0.000 1.066 16 M CA 1.142 56.468 55.300 0.043 0.000 1.107 16 M CB -0.282 32.340 32.600 0.037 0.000 1.356 16 M HN 0.069 nan 8.290 nan 0.000 0.406 17 L N 0.690 121.924 121.223 0.018 0.000 1.970 17 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 17 L C 2.440 179.320 176.870 0.016 0.000 1.071 17 L CA 1.964 56.813 54.840 0.015 0.000 0.751 17 L CB -0.731 41.333 42.059 0.008 0.000 0.889 17 L HN 0.200 nan 8.230 nan 0.000 0.432 18 R N -0.411 120.099 120.500 0.016 0.000 2.096 18 R HA -0.182 4.157 4.340 -0.000 0.000 0.240 18 R C 2.182 178.495 176.300 0.022 0.000 1.139 18 R CA 1.427 57.537 56.100 0.017 0.000 0.952 18 R CB -1.515 28.796 30.300 0.018 0.000 0.854 18 R HN 0.613 nan 8.270 nan 0.000 0.436 19 G N 1.247 110.066 108.800 0.030 0.000 2.586 19 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 19 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 19 G C 1.479 176.392 174.900 0.023 0.000 1.216 19 G CA 1.308 46.427 45.100 0.032 0.000 0.786 19 G HN 0.329 nan 8.290 nan 0.000 0.583 20 V N 1.105 121.032 119.914 0.022 0.000 2.343 20 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 20 V C 2.275 178.378 176.094 0.015 0.000 1.051 20 V CA 2.834 65.145 62.300 0.018 0.000 1.036 20 V CB -0.844 30.990 31.823 0.018 0.000 0.654 20 V HN 0.525 nan 8.190 nan 0.000 0.451 21 N N -0.101 118.607 118.700 0.014 0.000 2.061 21 N HA -0.186 4.554 4.740 -0.000 0.000 0.193 21 N C 1.805 177.321 175.510 0.011 0.000 1.030 21 N CA 1.892 54.950 53.050 0.012 0.000 0.856 21 N CB -0.380 38.114 38.487 0.011 0.000 1.023 21 N HN 0.448 nan 8.380 nan 0.000 0.424 22 V N 1.632 121.553 119.914 0.012 0.000 2.255 22 V HA -0.239 3.880 4.120 -0.000 0.000 0.247 22 V C 2.255 178.354 176.094 0.008 0.000 1.051 22 V CA 1.392 63.698 62.300 0.010 0.000 1.018 22 V CB -0.620 31.210 31.823 0.011 0.000 0.641 22 V HN 0.387 nan 8.190 nan 0.000 0.445 23 L N -0.072 121.156 121.223 0.008 0.000 1.963 23 L HA -0.304 4.035 4.340 -0.000 0.000 0.220 23 L C 2.638 179.512 176.870 0.005 0.000 1.076 23 L CA 2.602 57.445 54.840 0.006 0.000 0.772 23 L CB -0.825 41.238 42.059 0.006 0.000 0.892 23 L HN 0.409 nan 8.230 nan 0.000 0.435 24 A N -0.702 122.122 122.820 0.007 0.000 1.940 24 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 24 A C 1.773 179.362 177.584 0.007 0.000 1.176 24 A CA 2.133 54.174 52.037 0.007 0.000 0.631 24 A CB -0.571 18.434 19.000 0.009 0.000 0.814 24 A HN 0.566 nan 8.150 nan 0.000 0.446 25 D N -0.507 119.897 120.400 0.007 0.000 2.277 25 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 25 D C 2.041 178.345 176.300 0.006 0.000 0.962 25 D CA 1.114 55.118 54.000 0.007 0.000 0.865 25 D CB -0.176 40.629 40.800 0.007 0.000 0.939 25 D HN 0.447 nan 8.370 nan 0.000 0.510 26 A N 0.311 123.134 122.820 0.005 0.000 1.970 26 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 26 A C 2.225 179.811 177.584 0.003 0.000 1.170 26 A CA 0.582 52.621 52.037 0.004 0.000 0.645 26 A CB -0.287 18.715 19.000 0.004 0.000 0.816 26 A HN 0.166 nan 8.150 nan 0.000 0.447 27 V N 0.660 120.576 119.914 0.003 0.000 2.878 27 V HA -0.072 4.047 4.120 -0.000 0.000 0.250 27 V C 2.259 178.355 176.094 0.002 0.000 1.075 27 V CA 1.921 64.222 62.300 0.001 0.000 1.096 27 V CB -0.310 31.513 31.823 -0.000 0.000 0.724 27 V HN 0.790 nan 8.190 nan 0.000 0.467 28 K N 0.358 120.761 120.400 0.004 0.000 2.361 28 K HA 0.016 4.336 4.320 -0.000 0.000 0.196 28 K C 1.484 178.088 176.600 0.006 0.000 1.039 28 K CA 1.421 57.712 56.287 0.006 0.000 1.001 28 K CB -0.159 32.346 32.500 0.008 0.000 0.795 28 K HN 0.445 nan 8.250 nan 0.000 0.495 29 V N -0.062 119.855 119.914 0.005 0.000 3.305 29 V HA -0.062 4.058 4.120 -0.000 0.000 0.269 29 V C 1.691 177.787 176.094 0.004 0.000 1.157 29 V CA 1.323 63.627 62.300 0.006 0.000 1.157 29 V CB -1.025 30.801 31.823 0.005 0.000 0.772 29 V HN 0.485 nan 8.190 nan 0.000 0.498 30 T N -2.976 111.580 114.554 0.003 0.000 3.145 30 T HA 0.256 4.606 4.350 -0.000 0.000 0.255 30 T C 1.278 175.978 174.700 0.000 0.000 1.039 30 T CA 0.438 62.538 62.100 0.001 0.000 0.928 30 T CB 0.515 69.383 68.868 -0.001 0.000 1.029 30 T HN 0.351 nan 8.240 nan 0.000 0.554 31 L N 2.570 123.794 121.223 0.003 0.000 2.007 31 L HA 0.430 4.770 4.340 -0.000 0.000 0.205 31 L C 1.626 178.496 176.870 0.000 0.000 1.073 31 L CA 1.401 56.242 54.840 0.002 0.000 0.744 31 L CB -1.378 40.685 42.059 0.006 0.000 0.898 31 L HN 0.374 nan 8.230 nan 0.000 0.435 32 G N -0.182 108.620 108.800 0.003 0.000 2.883 32 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.309 32 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.309 32 G C -1.537 173.355 174.900 -0.014 0.000 1.278 32 G CA 0.248 45.346 45.100 -0.003 0.000 1.103 32 G HN 0.485 nan 8.290 nan 0.000 0.676 33 P HA 0.064 nan 4.420 nan 0.000 0.242 33 P C 0.410 177.695 177.300 -0.024 0.000 1.197 33 P CA 1.012 64.094 63.100 -0.031 0.000 0.765 33 P CB 0.393 32.063 31.700 -0.051 0.000 0.936 34 K N 0.407 120.797 120.400 -0.016 0.000 3.239 34 K HA 0.321 4.641 4.320 -0.000 0.000 0.204 34 K C 0.719 177.317 176.600 -0.003 0.000 1.126 34 K CA -0.348 55.933 56.287 -0.010 0.000 0.948 34 K CB 1.013 33.508 32.500 -0.009 0.000 0.818 34 K HN 0.013 nan 8.250 nan 0.000 0.480 35 G N 0.651 109.449 108.800 -0.003 0.000 2.621 35 G HA2 0.288 4.248 3.960 -0.000 0.000 0.271 35 G HA3 0.288 4.248 3.960 -0.000 0.000 0.271 35 G C -0.033 174.867 174.900 0.000 0.000 1.236 35 G CA -0.455 44.645 45.100 0.000 0.000 0.958 35 G HN 0.117 nan 8.290 nan 0.000 0.512 36 R N -0.428 120.073 120.500 0.002 0.000 2.856 36 R HA 0.357 4.697 4.340 -0.000 0.000 0.258 36 R C -0.214 176.087 176.300 0.001 0.000 1.066 36 R CA -0.940 55.161 56.100 0.002 0.000 1.045 36 R CB 0.773 31.075 30.300 0.003 0.000 1.178 36 R HN 0.580 nan 8.270 nan 0.000 0.499 37 N N 0.045 118.746 118.700 0.001 0.000 2.509 37 N HA 0.292 5.032 4.740 -0.000 0.000 0.287 37 N C -0.590 174.922 175.510 0.002 0.000 1.121 37 N CA -0.388 52.663 53.050 0.001 0.000 0.977 37 N CB 1.795 40.283 38.487 0.001 0.000 1.167 37 N HN 0.079 nan 8.380 nan 0.000 0.476 38 V N 1.466 121.381 119.914 0.002 0.000 2.628 38 V HA 0.335 4.455 4.120 -0.000 0.000 0.306 38 V C 0.079 176.174 176.094 0.003 0.000 1.045 38 V CA -0.829 61.472 62.300 0.002 0.000 0.905 38 V CB 2.166 33.990 31.823 0.002 0.000 0.997 38 V HN 0.314 nan 8.190 nan 0.000 0.436 39 V N 5.562 125.477 119.914 0.003 0.000 2.394 39 V HA 0.438 4.558 4.120 -0.000 0.000 0.282 39 V C -0.618 175.479 176.094 0.004 0.000 1.031 39 V CA -0.526 61.776 62.300 0.004 0.000 0.881 39 V CB 1.477 33.302 31.823 0.003 0.000 0.982 39 V HN 0.513 nan 8.190 nan 0.000 0.451 40 L N 4.350 125.576 121.223 0.006 0.000 2.318 40 L HA 0.484 4.823 4.340 -0.000 0.000 0.277 40 L C -0.016 176.860 176.870 0.010 0.000 1.008 40 L CA -0.273 54.571 54.840 0.007 0.000 0.846 40 L CB 0.993 43.057 42.059 0.008 0.000 1.220 40 L HN 0.588 nan 8.230 nan 0.000 0.423 41 D N 3.293 123.698 120.400 0.008 0.000 2.400 41 D HA 0.137 4.777 4.640 -0.000 0.000 0.238 41 D C -0.179 176.131 176.300 0.017 0.000 1.157 41 D CA 0.458 54.463 54.000 0.008 0.000 0.889 41 D CB 0.822 41.623 40.800 0.001 0.000 1.199 41 D HN 0.268 nan 8.370 nan 0.000 0.436 42 K N 2.019 122.434 120.400 0.025 0.000 2.507 42 K HA 0.203 4.523 4.320 -0.000 0.000 0.251 42 K C 0.641 177.280 176.600 0.065 0.000 0.943 42 K CA -0.548 55.768 56.287 0.048 0.000 0.794 42 K CB 1.480 34.011 32.500 0.051 0.000 1.188 42 K HN 0.380 nan 8.250 nan 0.000 0.428 43 S N 2.796 118.555 115.700 0.097 0.000 2.490 43 S HA -0.159 4.311 4.470 -0.000 0.000 0.243 43 S C 0.437 175.047 174.600 0.016 0.000 1.052 43 S CA 1.538 59.779 58.200 0.067 0.000 1.254 43 S CB -0.321 63.015 63.200 0.227 0.000 1.191 43 S HN 0.472 nan 8.310 nan 0.000 0.422 44 F N 1.014 120.963 119.950 -0.002 0.000 2.375 44 F HA 0.567 5.093 4.527 -0.001 0.000 0.333 44 F C 1.221 177.020 175.800 -0.001 0.000 1.104 44 F CA 0.029 58.028 58.000 -0.002 0.000 1.149 44 F CB 0.030 39.028 39.000 -0.002 0.000 1.190 44 F HN 0.602 nan 8.300 nan 0.000 0.533 45 G N 0.503 109.396 108.800 0.154 0.000 2.693 45 G HA2 0.220 4.180 3.960 -0.000 0.000 0.226 45 G HA3 0.220 4.180 3.960 -0.000 0.000 0.226 45 G C -0.793 174.137 174.900 0.051 0.000 1.354 45 G CA -0.696 44.458 45.100 0.090 0.000 0.873 45 G HN 1.152 nan 8.290 nan 0.000 0.562 46 A N 1.088 123.932 122.820 0.039 0.000 2.340 46 A HA 0.819 5.139 4.320 -0.000 0.000 0.268 46 A C -0.759 176.839 177.584 0.024 0.000 1.100 46 A CA -0.133 51.919 52.037 0.024 0.000 0.803 46 A CB 0.087 19.099 19.000 0.020 0.000 1.043 46 A HN 0.934 nan 8.150 nan 0.000 0.488 47 P HA 0.240 nan 4.420 nan 0.000 0.275 47 P C -0.349 176.960 177.300 0.015 0.000 1.270 47 P CA -0.028 63.081 63.100 0.015 0.000 0.791 47 P CB 0.334 32.039 31.700 0.008 0.000 1.089 48 T N 0.763 115.325 114.554 0.013 0.000 2.770 48 T HA 0.512 4.862 4.350 -0.000 0.000 0.283 48 T C 0.082 174.787 174.700 0.008 0.000 0.988 48 T CA -0.366 61.741 62.100 0.012 0.000 0.957 48 T CB -0.035 68.841 68.868 0.013 0.000 0.930 48 T HN 0.159 nan 8.240 nan 0.000 0.443 49 I N 2.995 123.569 120.570 0.007 0.000 2.336 49 I HA 0.568 4.738 4.170 -0.000 0.000 0.292 49 I C 0.466 176.585 176.117 0.004 0.000 0.991 49 I CA -0.552 60.750 61.300 0.005 0.000 1.227 49 I CB 1.715 39.717 38.000 0.004 0.000 1.366 49 I HN 0.462 nan 8.210 nan 0.000 0.466 50 T N 4.398 118.954 114.554 0.003 0.000 2.889 50 T HA 0.334 4.684 4.350 -0.000 0.000 0.315 50 T C -0.289 174.412 174.700 0.001 0.000 1.291 50 T CA -0.594 61.507 62.100 0.002 0.000 1.028 50 T CB 1.797 70.666 68.868 0.003 0.000 1.235 50 T HN 0.698 nan 8.240 nan 0.000 0.491 51 K N 1.569 121.969 120.400 -0.000 0.000 2.564 51 K HA 0.214 4.534 4.320 -0.000 0.000 0.205 51 K C -0.805 175.794 176.600 -0.002 0.000 1.053 51 K CA -0.230 56.056 56.287 -0.001 0.000 1.072 51 K CB 0.472 32.971 32.500 -0.002 0.000 0.822 51 K HN 0.455 nan 8.250 nan 0.000 0.497 52 D N -0.410 119.989 120.400 -0.002 0.000 2.441 52 D HA 0.142 4.782 4.640 -0.000 0.000 0.231 52 D C 1.053 177.351 176.300 -0.004 0.000 1.073 52 D CA -0.462 53.535 54.000 -0.003 0.000 0.850 52 D CB 1.418 42.216 40.800 -0.002 0.000 1.062 52 D HN 0.155 nan 8.370 nan 0.000 0.524 53 G N 2.305 111.101 108.800 -0.006 0.000 2.462 53 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 53 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 53 G C 1.402 176.297 174.900 -0.009 0.000 1.121 53 G CA 0.782 45.878 45.100 -0.007 0.000 0.758 53 G HN 0.467 nan 8.290 nan 0.000 0.559 54 V N 0.894 120.801 119.914 -0.012 0.000 2.379 54 V HA -0.161 3.958 4.120 -0.000 0.000 0.245 54 V C 3.073 179.161 176.094 -0.010 0.000 1.044 54 V CA 2.085 64.376 62.300 -0.015 0.000 1.036 54 V CB -0.451 31.361 31.823 -0.018 0.000 0.664 54 V HN 0.372 nan 8.190 nan 0.000 0.453 55 S N 0.102 115.799 115.700 -0.006 0.000 2.359 55 S HA -0.210 4.259 4.470 -0.000 0.000 0.223 55 S C 2.038 176.637 174.600 -0.001 0.000 1.039 55 S CA 1.751 59.949 58.200 -0.002 0.000 1.042 55 S CB -0.393 62.807 63.200 0.000 0.000 0.915 55 S HN 0.362 nan 8.310 nan 0.000 0.439 56 V N 2.252 122.165 119.914 -0.002 0.000 2.255 56 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 56 V C 2.711 178.803 176.094 -0.002 0.000 1.051 56 V CA 1.809 64.108 62.300 -0.001 0.000 1.018 56 V CB -1.405 30.418 31.823 -0.000 0.000 0.641 56 V HN 0.562 nan 8.190 nan 0.000 0.445 57 A N 0.276 123.093 122.820 -0.005 0.000 1.915 57 A HA -0.371 3.949 4.320 -0.000 0.000 0.220 57 A C 2.371 179.951 177.584 -0.007 0.000 1.198 57 A CA 2.721 54.754 52.037 -0.007 0.000 0.647 57 A CB -0.727 18.266 19.000 -0.012 0.000 0.825 57 A HN 0.576 nan 8.150 nan 0.000 0.456 58 R N -0.890 119.606 120.500 -0.007 0.000 2.120 58 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 58 R C 1.631 177.929 176.300 -0.003 0.000 1.123 58 R CA 1.797 57.893 56.100 -0.006 0.000 0.975 58 R CB -0.169 30.128 30.300 -0.005 0.000 0.866 58 R HN 0.404 nan 8.270 nan 0.000 0.446 59 E N 0.011 120.210 120.200 -0.000 0.000 2.385 59 E HA 0.085 4.435 4.350 -0.000 0.000 0.194 59 E C -0.192 176.409 176.600 0.001 0.000 1.013 59 E CA 0.123 56.525 56.400 0.002 0.000 0.866 59 E CB 0.239 29.942 29.700 0.004 0.000 0.832 59 E HN 0.208 nan 8.360 nan 0.000 0.500 60 I N 2.124 122.694 120.570 -0.000 0.000 2.436 60 I HA 0.120 4.290 4.170 -0.000 0.000 0.289 60 I C 0.220 176.337 176.117 -0.000 0.000 1.083 60 I CA 0.282 61.582 61.300 0.001 0.000 1.372 60 I CB 0.033 38.034 38.000 0.001 0.000 1.408 60 I HN 0.040 nan 8.210 nan 0.000 0.516 61 E N 7.754 127.955 120.200 0.001 0.000 2.287 61 E HA 0.474 4.824 4.350 -0.000 0.000 0.274 61 E C -1.685 174.916 176.600 0.002 0.000 0.896 61 E CA -0.587 55.813 56.400 -0.001 0.000 0.788 61 E CB 1.529 31.227 29.700 -0.003 0.000 1.244 61 E HN 0.455 nan 8.360 nan 0.000 0.408 62 L N 3.060 124.286 121.223 0.004 0.000 2.400 62 L HA 0.415 4.754 4.340 -0.000 0.000 0.264 62 L C 1.586 178.460 176.870 0.007 0.000 1.061 62 L CA -0.566 54.279 54.840 0.009 0.000 0.799 62 L CB 0.941 43.011 42.059 0.017 0.000 1.240 62 L HN 0.713 nan 8.230 nan 0.000 0.461 63 E N 0.023 120.230 120.200 0.012 0.000 2.051 63 E HA -0.140 4.209 4.350 -0.000 0.000 0.189 63 E C 0.364 176.974 176.600 0.016 0.000 0.979 63 E CA 0.294 56.700 56.400 0.010 0.000 0.803 63 E CB 0.275 29.982 29.700 0.012 0.000 0.761 63 E HN 0.626 nan 8.360 nan 0.000 0.451 64 D N 1.936 122.358 120.400 0.036 0.000 2.389 64 D HA -0.041 4.599 4.640 -0.000 0.000 0.263 64 D C -0.408 175.929 176.300 0.062 0.000 1.255 64 D CA 0.233 54.276 54.000 0.071 0.000 0.914 64 D CB 0.489 41.346 40.800 0.094 0.000 1.116 64 D HN 0.097 nan 8.370 nan 0.000 0.502 65 K N 2.851 123.255 120.400 0.006 0.000 2.188 65 K HA 0.081 4.401 4.320 -0.000 0.000 0.246 65 K C 0.713 177.304 176.600 -0.016 0.000 1.026 65 K CA -0.436 55.786 56.287 -0.108 0.000 0.871 65 K CB 0.720 33.054 32.500 -0.278 0.000 1.042 65 K HN 0.381 nan 8.250 nan 0.000 0.509 66 F N -1.245 118.695 119.950 -0.016 0.000 2.520 66 F HA -0.356 4.170 4.527 -0.001 0.000 0.760 66 F C 1.993 177.785 175.800 -0.013 0.000 0.485 66 F CA 1.686 59.675 58.000 -0.019 0.000 0.771 66 F CB -1.418 37.571 39.000 -0.018 0.000 1.613 66 F HN 0.750 nan 8.300 nan 0.000 0.280 67 E N 0.251 120.585 120.200 0.223 0.000 2.086 67 E HA -0.340 4.010 4.350 -0.000 0.000 0.205 67 E C 1.612 178.254 176.600 0.070 0.000 1.027 67 E CA 2.058 58.523 56.400 0.108 0.000 0.830 67 E CB -0.382 29.369 29.700 0.084 0.000 0.751 67 E HN 0.480 nan 8.360 nan 0.000 0.456 68 N N -0.068 118.664 118.700 0.053 0.000 2.084 68 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 68 N C 1.788 177.305 175.510 0.011 0.000 1.030 68 N CA 1.559 54.620 53.050 0.019 0.000 0.849 68 N CB -0.043 38.441 38.487 -0.005 0.000 1.012 68 N HN 0.107 nan 8.380 nan 0.000 0.423 69 M N -0.395 119.210 119.600 0.009 0.000 2.089 69 M HA -0.146 4.333 4.480 -0.000 0.000 0.257 69 M C 2.233 178.548 176.300 0.025 0.000 1.071 69 M CA 1.854 57.157 55.300 0.006 0.000 1.096 69 M CB -1.050 31.555 32.600 0.009 0.000 1.330 69 M HN 0.367 nan 8.290 nan 0.000 0.403 70 G N 0.174 109.002 108.800 0.046 0.000 2.553 70 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 70 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 70 G C 1.613 176.527 174.900 0.024 0.000 1.195 70 G CA 1.420 46.544 45.100 0.039 0.000 0.779 70 G HN 0.574 nan 8.290 nan 0.000 0.577 71 A N -0.654 122.179 122.820 0.021 0.000 1.933 71 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 71 A C 2.409 179.997 177.584 0.006 0.000 1.175 71 A CA 1.995 54.040 52.037 0.013 0.000 0.628 71 A CB -0.322 18.685 19.000 0.011 0.000 0.814 71 A HN 0.333 nan 8.150 nan 0.000 0.444 72 Q N -0.734 119.069 119.800 0.004 0.000 2.167 72 Q HA -0.051 4.288 4.340 -0.000 0.000 0.202 72 Q C 2.050 178.049 176.000 -0.003 0.000 0.970 72 Q CA 1.463 57.263 55.803 -0.004 0.000 0.855 72 Q CB -0.442 28.290 28.738 -0.010 0.000 0.911 72 Q HN 0.789 nan 8.270 nan 0.000 0.438 73 M N -0.728 118.875 119.600 0.005 0.000 2.175 73 M HA -0.124 4.355 4.480 -0.000 0.000 0.264 73 M C 2.145 178.450 176.300 0.009 0.000 1.063 73 M CA 0.915 56.220 55.300 0.009 0.000 1.119 73 M CB -0.085 32.525 32.600 0.017 0.000 1.377 73 M HN -0.064 nan 8.290 nan 0.000 0.415 74 V N 0.203 120.122 119.914 0.009 0.000 2.407 74 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 74 V C 2.123 178.214 176.094 -0.006 0.000 1.041 74 V CA 1.603 63.908 62.300 0.009 0.000 1.040 74 V CB -0.529 31.302 31.823 0.013 0.000 0.671 74 V HN 0.407 nan 8.190 nan 0.000 0.455 75 K N -0.063 120.331 120.400 -0.011 0.000 2.074 75 K HA -0.260 4.059 4.320 -0.000 0.000 0.209 75 K C 2.210 178.788 176.600 -0.038 0.000 1.048 75 K CA 1.875 58.149 56.287 -0.023 0.000 0.926 75 K CB -0.195 32.294 32.500 -0.018 0.000 0.713 75 K HN 0.493 nan 8.250 nan 0.000 0.444 76 E N 0.467 120.649 120.200 -0.030 0.000 2.058 76 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 76 E C 1.993 178.549 176.600 -0.074 0.000 0.997 76 E CA 1.253 57.629 56.400 -0.039 0.000 0.801 76 E CB 0.114 29.802 29.700 -0.019 0.000 0.746 76 E HN 0.100 nan 8.360 nan 0.000 0.450 77 V N 0.278 120.157 119.914 -0.059 0.000 2.446 77 V HA -0.070 4.050 4.120 -0.000 0.000 0.244 77 V C 2.192 178.147 176.094 -0.232 0.000 1.039 77 V CA 1.525 63.770 62.300 -0.092 0.000 1.045 77 V CB -0.038 31.820 31.823 0.058 0.000 0.681 77 V HN 0.402 nan 8.190 nan 0.000 0.459 78 A N -0.523 122.224 122.820 -0.121 0.000 1.940 78 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 78 A C 2.553 180.031 177.584 -0.175 0.000 1.176 78 A CA 2.394 54.356 52.037 -0.124 0.000 0.631 78 A CB -0.874 18.093 19.000 -0.055 0.000 0.814 78 A HN 0.639 nan 8.150 nan 0.000 0.446 79 S N -0.084 115.523 115.700 -0.155 0.000 2.402 79 S HA -0.167 4.302 4.470 -0.000 0.000 0.229 79 S C 1.916 176.390 174.600 -0.209 0.000 1.021 79 S CA 1.503 59.616 58.200 -0.146 0.000 0.974 79 S CB -0.363 62.780 63.200 -0.094 0.000 0.800 79 S HN 0.643 nan 8.310 nan 0.000 0.484 80 K N 1.304 121.515 120.400 -0.315 0.000 2.097 80 K HA 0.034 4.353 4.320 -0.000 0.000 0.206 80 K C 2.502 178.773 176.600 -0.548 0.000 1.049 80 K CA 1.075 57.117 56.287 -0.409 0.000 0.933 80 K CB -0.554 31.643 32.500 -0.505 0.000 0.717 80 K HN 0.456 nan 8.250 nan 0.000 0.442 81 A N 2.850 125.240 122.820 -0.718 0.000 1.859 81 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 81 A C 2.153 179.638 177.584 -0.165 0.000 1.198 81 A CA 1.977 53.791 52.037 -0.372 0.000 0.629 81 A CB -0.958 17.942 19.000 -0.168 0.000 0.830 81 A HN 0.373 nan 8.150 nan 0.000 0.446 82 N N 0.056 118.659 118.700 -0.161 0.000 2.091 82 N HA -0.232 4.508 4.740 -0.000 0.000 0.193 82 N C 1.211 176.641 175.510 -0.135 0.000 1.021 82 N CA 2.054 55.025 53.050 -0.132 0.000 0.862 82 N CB -0.446 37.969 38.487 -0.121 0.000 1.018 82 N HN 0.433 nan 8.380 nan 0.000 0.429 83 D N 0.185 120.506 120.400 -0.132 0.000 2.133 83 D HA -0.116 4.523 4.640 -0.000 0.000 0.195 83 D C 1.538 177.804 176.300 -0.056 0.000 0.997 83 D CA 1.447 55.392 54.000 -0.091 0.000 0.840 83 D CB -0.269 40.480 40.800 -0.085 0.000 0.947 83 D HN 0.462 nan 8.370 nan 0.000 0.452 84 A N -0.457 122.341 122.820 -0.037 0.000 2.147 84 A HA 0.427 4.747 4.320 -0.000 0.000 0.211 84 A C 1.900 179.493 177.584 0.015 0.000 1.160 84 A CA 1.163 53.213 52.037 0.022 0.000 0.781 84 A CB 0.332 19.393 19.000 0.102 0.000 0.842 84 A HN 0.210 nan 8.150 nan 0.000 0.475 85 A N -2.615 120.191 122.820 -0.022 0.000 2.138 85 A HA 0.483 4.802 4.320 -0.000 0.000 0.203 85 A C 1.587 179.112 177.584 -0.097 0.000 1.286 85 A CA 1.127 53.148 52.037 -0.027 0.000 0.929 85 A CB 0.020 19.020 19.000 -0.000 0.000 0.975 85 A HN 1.721 nan 8.150 nan 0.000 0.480 86 G N -1.130 107.548 108.800 -0.203 0.000 2.148 86 G HA2 0.008 3.967 3.960 -0.000 0.000 0.203 86 G HA3 0.008 3.967 3.960 -0.000 0.000 0.203 86 G C -0.374 174.394 174.900 -0.220 0.000 0.993 86 G CA 0.355 45.220 45.100 -0.392 0.000 0.661 86 G HN 0.791 nan 8.290 nan 0.000 0.518 87 D N -2.815 117.506 120.400 -0.131 0.000 2.926 87 D HA 0.565 5.205 4.640 -0.000 0.000 0.272 87 D C 0.883 177.151 176.300 -0.053 0.000 1.172 87 D CA 1.470 55.423 54.000 -0.078 0.000 0.731 87 D CB 0.400 41.169 40.800 -0.052 0.000 1.282 87 D HN 1.381 nan 8.370 nan 0.000 0.430 88 G N -0.144 108.634 108.800 -0.037 0.000 2.253 88 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.209 88 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.209 88 G C 1.201 176.086 174.900 -0.025 0.000 0.997 88 G CA 1.137 46.225 45.100 -0.019 0.000 0.640 88 G HN 0.767 nan 8.290 nan 0.000 0.496 89 T N 0.983 115.509 114.554 -0.046 0.000 2.634 89 T HA -0.348 4.001 4.350 -0.000 0.000 0.256 89 T C 2.245 176.928 174.700 -0.028 0.000 1.131 89 T CA 3.053 65.124 62.100 -0.049 0.000 1.149 89 T CB -1.217 67.620 68.868 -0.052 0.000 0.849 89 T HN 0.596 nan 8.240 nan 0.000 0.457 90 T N 1.323 115.865 114.554 -0.020 0.000 2.732 90 T HA -0.074 4.276 4.350 -0.000 0.000 0.261 90 T C 2.369 177.068 174.700 -0.002 0.000 1.040 90 T CA 1.621 63.715 62.100 -0.010 0.000 1.145 90 T CB -0.856 68.007 68.868 -0.008 0.000 0.866 90 T HN 0.472 nan 8.240 nan 0.000 0.427 91 T N 2.227 116.782 114.554 0.000 0.000 2.635 91 T HA -0.157 4.192 4.350 -0.000 0.000 0.267 91 T C 2.364 177.073 174.700 0.015 0.000 1.040 91 T CA 1.484 63.590 62.100 0.009 0.000 1.156 91 T CB -0.721 68.154 68.868 0.011 0.000 0.863 91 T HN 0.438 nan 8.240 nan 0.000 0.430 92 A N 1.142 123.971 122.820 0.015 0.000 1.873 92 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 92 A C 2.567 180.164 177.584 0.023 0.000 1.193 92 A CA 2.561 54.616 52.037 0.029 0.000 0.629 92 A CB -1.491 17.524 19.000 0.024 0.000 0.826 92 A HN 0.514 nan 8.150 nan 0.000 0.447 93 T N -0.210 114.349 114.554 0.008 0.000 2.635 93 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 93 T C 1.882 176.590 174.700 0.013 0.000 1.040 93 T CA 1.843 63.948 62.100 0.008 0.000 1.156 93 T CB -0.641 68.228 68.868 0.001 0.000 0.863 93 T HN 0.191 nan 8.240 nan 0.000 0.430 94 V N 1.402 121.323 119.914 0.012 0.000 2.332 94 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 94 V C 2.485 178.590 176.094 0.018 0.000 1.055 94 V CA 1.611 63.919 62.300 0.014 0.000 1.038 94 V CB -0.731 31.100 31.823 0.014 0.000 0.651 94 V HN 0.428 nan 8.190 nan 0.000 0.450 95 L N -0.026 121.210 121.223 0.021 0.000 2.141 95 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 95 L C 2.718 179.603 176.870 0.025 0.000 1.094 95 L CA 1.292 56.147 54.840 0.024 0.000 0.763 95 L CB -0.789 41.287 42.059 0.029 0.000 0.908 95 L HN 0.338 nan 8.230 nan 0.000 0.437 96 A N -0.324 122.513 122.820 0.027 0.000 1.908 96 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 96 A C 2.298 179.896 177.584 0.022 0.000 1.181 96 A CA 2.075 54.129 52.037 0.029 0.000 0.627 96 A CB -0.599 18.419 19.000 0.030 0.000 0.818 96 A HN 0.513 nan 8.150 nan 0.000 0.445 97 Q N -0.618 119.193 119.800 0.019 0.000 2.046 97 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 97 Q C 2.235 178.244 176.000 0.016 0.000 0.975 97 Q CA 1.568 57.380 55.803 0.016 0.000 0.836 97 Q CB -0.372 28.375 28.738 0.014 0.000 0.896 97 Q HN 0.583 nan 8.270 nan 0.000 0.428 98 A N 0.909 123.739 122.820 0.016 0.000 1.892 98 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 98 A C 1.985 179.577 177.584 0.015 0.000 1.188 98 A CA 1.784 53.830 52.037 0.015 0.000 0.631 98 A CB -0.775 18.234 19.000 0.016 0.000 0.822 98 A HN 0.483 nan 8.150 nan 0.000 0.447 99 I N -0.320 120.260 120.570 0.016 0.000 2.163 99 I HA -0.228 3.941 4.170 -0.000 0.000 0.240 99 I C 2.311 178.437 176.117 0.014 0.000 1.081 99 I CA 1.340 62.649 61.300 0.015 0.000 1.353 99 I CB -0.423 37.587 38.000 0.016 0.000 1.054 99 I HN 0.278 nan 8.210 nan 0.000 0.407 100 I N 0.424 121.003 120.570 0.016 0.000 2.194 100 I HA -0.330 3.839 4.170 -0.000 0.000 0.246 100 I C 2.572 178.697 176.117 0.013 0.000 1.093 100 I CA 1.667 62.976 61.300 0.015 0.000 1.355 100 I CB -0.793 37.217 38.000 0.017 0.000 1.046 100 I HN 0.307 nan 8.210 nan 0.000 0.413 101 T N 0.004 114.565 114.554 0.012 0.000 2.708 101 T HA -0.159 4.190 4.350 -0.000 0.000 0.266 101 T C 1.876 176.582 174.700 0.009 0.000 1.037 101 T CA 1.332 63.438 62.100 0.010 0.000 1.146 101 T CB -0.081 68.793 68.868 0.010 0.000 0.865 101 T HN 0.296 nan 8.240 nan 0.000 0.435 102 E N 0.286 120.492 120.200 0.009 0.000 2.060 102 E HA 0.086 4.435 4.350 -0.000 0.000 0.189 102 E C 2.574 179.179 176.600 0.008 0.000 0.974 102 E CA 0.802 57.207 56.400 0.008 0.000 0.808 102 E CB -0.743 28.962 29.700 0.009 0.000 0.768 102 E HN 0.505 nan 8.360 nan 0.000 0.453 103 G N 1.159 109.964 108.800 0.009 0.000 2.432 103 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 103 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 103 G C 1.501 176.406 174.900 0.008 0.000 1.135 103 G CA 0.389 45.494 45.100 0.009 0.000 0.767 103 G HN 0.152 nan 8.290 nan 0.000 0.550 104 L N 0.042 121.271 121.223 0.009 0.000 2.270 104 L HA 0.281 4.621 4.340 -0.000 0.000 0.210 104 L C 2.601 179.474 176.870 0.006 0.000 1.104 104 L CA 1.223 56.068 54.840 0.008 0.000 0.804 104 L CB -0.428 41.636 42.059 0.009 0.000 0.937 104 L HN 0.122 nan 8.230 nan 0.000 0.450 105 K N -0.990 119.414 120.400 0.006 0.000 2.057 105 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 105 K C 2.121 178.724 176.600 0.004 0.000 1.050 105 K CA 1.251 57.541 56.287 0.005 0.000 0.935 105 K CB -0.211 32.292 32.500 0.005 0.000 0.715 105 K HN 0.339 nan 8.250 nan 0.000 0.439 106 A N 1.077 123.901 122.820 0.005 0.000 1.873 106 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 106 A C 2.320 179.907 177.584 0.005 0.000 1.193 106 A CA 2.160 54.200 52.037 0.005 0.000 0.629 106 A CB -1.184 17.819 19.000 0.005 0.000 0.826 106 A HN 0.264 nan 8.150 nan 0.000 0.447 107 V N -1.625 118.293 119.914 0.006 0.000 2.392 107 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 107 V C 2.378 178.475 176.094 0.006 0.000 1.059 107 V CA 2.503 64.807 62.300 0.007 0.000 1.051 107 V CB -1.084 30.745 31.823 0.009 0.000 0.658 107 V HN 0.634 nan 8.190 nan 0.000 0.455 108 A N -0.288 122.535 122.820 0.005 0.000 2.167 108 A HA 0.506 4.825 4.320 -0.000 0.000 0.214 108 A C 2.292 179.878 177.584 0.002 0.000 1.151 108 A CA 1.252 53.291 52.037 0.003 0.000 0.735 108 A CB -0.629 18.373 19.000 0.002 0.000 0.802 108 A HN 1.057 nan 8.150 nan 0.000 0.467 109 A N -1.630 121.191 122.820 0.003 0.000 2.178 109 A HA 0.429 4.748 4.320 -0.000 0.000 0.211 109 A C 1.613 179.198 177.584 0.002 0.000 1.157 109 A CA 1.150 53.188 52.037 0.002 0.000 0.780 109 A CB -0.516 18.485 19.000 0.002 0.000 0.828 109 A HN 1.742 nan 8.150 nan 0.000 0.476 110 G N -1.441 107.360 108.800 0.002 0.000 2.145 110 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.176 110 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.176 110 G C 0.039 174.941 174.900 0.003 0.000 1.013 110 G CA 0.182 45.283 45.100 0.002 0.000 0.689 110 G HN 0.332 nan 8.290 nan 0.000 0.506 111 M N 0.027 119.629 119.600 0.004 0.000 2.369 111 M HA 0.376 4.856 4.480 -0.000 0.000 0.291 111 M C 0.610 176.913 176.300 0.005 0.000 1.178 111 M CA -0.839 54.463 55.300 0.004 0.000 0.996 111 M CB 0.609 33.211 32.600 0.004 0.000 1.472 111 M HN 0.104 nan 8.290 nan 0.000 0.496 112 N N 1.404 120.107 118.700 0.005 0.000 2.406 112 N HA 0.185 4.925 4.740 -0.000 0.000 0.251 112 N C -2.187 173.327 175.510 0.007 0.000 1.069 112 N CA -1.583 51.471 53.050 0.006 0.000 0.947 112 N CB 1.223 39.713 38.487 0.005 0.000 1.111 112 N HN 0.225 nan 8.380 nan 0.000 0.497 113 P HA -0.149 nan 4.420 nan 0.000 0.217 113 P C 1.338 178.643 177.300 0.009 0.000 1.151 113 P CA 1.311 64.417 63.100 0.010 0.000 0.849 113 P CB 0.287 31.994 31.700 0.013 0.000 0.787 114 M N -1.061 118.544 119.600 0.008 0.000 2.200 114 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 114 M C 1.458 177.762 176.300 0.005 0.000 1.066 114 M CA 1.605 56.909 55.300 0.007 0.000 1.127 114 M CB -0.796 31.808 32.600 0.007 0.000 1.379 114 M HN -0.218 nan 8.290 nan 0.000 0.420 115 D N -0.275 120.128 120.400 0.005 0.000 2.144 115 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 115 D C 2.042 178.344 176.300 0.004 0.000 0.978 115 D CA 1.244 55.247 54.000 0.004 0.000 0.833 115 D CB -0.180 40.622 40.800 0.003 0.000 0.961 115 D HN 0.348 nan 8.370 nan 0.000 0.470 116 L N 0.779 122.005 121.223 0.005 0.000 2.046 116 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 116 L C 2.575 179.448 176.870 0.005 0.000 1.077 116 L CA 1.070 55.913 54.840 0.005 0.000 0.747 116 L CB -0.357 41.706 42.059 0.006 0.000 0.896 116 L HN -0.020 nan 8.230 nan 0.000 0.432 117 K N 0.488 120.891 120.400 0.005 0.000 2.009 117 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 117 K C 2.275 178.876 176.600 0.002 0.000 1.049 117 K CA 1.573 57.862 56.287 0.004 0.000 0.929 117 K CB -0.051 32.452 32.500 0.005 0.000 0.714 117 K HN 0.031 nan 8.250 nan 0.000 0.440 118 R N -0.113 120.388 120.500 0.001 0.000 2.143 118 R HA -0.203 4.136 4.340 -0.000 0.000 0.239 118 R C 2.263 178.563 176.300 -0.000 0.000 1.126 118 R CA 2.295 58.395 56.100 -0.000 0.000 0.927 118 R CB -1.117 29.183 30.300 0.001 0.000 0.860 118 R HN 0.481 nan 8.270 nan 0.000 0.433 119 G N 0.775 109.576 108.800 0.001 0.000 2.764 119 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.219 119 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.219 119 G C 1.453 176.354 174.900 0.001 0.000 1.259 119 G CA 1.715 46.816 45.100 0.001 0.000 0.793 119 G HN 0.398 nan 8.290 nan 0.000 0.633 120 I N 1.087 121.658 120.570 0.002 0.000 2.103 120 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 120 I C 2.479 178.595 176.117 -0.001 0.000 1.036 120 I CA 1.955 63.256 61.300 0.002 0.000 1.300 120 I CB -0.351 37.651 38.000 0.004 0.000 1.010 120 I HN 0.130 nan 8.210 nan 0.000 0.406 121 D N 0.380 120.778 120.400 -0.004 0.000 2.182 121 D HA -0.195 4.444 4.640 -0.000 0.000 0.201 121 D C 2.075 178.371 176.300 -0.008 0.000 0.986 121 D CA 1.114 55.109 54.000 -0.009 0.000 0.847 121 D CB -0.236 40.558 40.800 -0.010 0.000 0.942 121 D HN 0.357 nan 8.370 nan 0.000 0.467 122 K N 0.514 120.912 120.400 -0.005 0.000 2.001 122 K HA -0.069 4.250 4.320 -0.000 0.000 0.208 122 K C 2.099 178.698 176.600 -0.002 0.000 1.048 122 K CA 1.075 57.360 56.287 -0.004 0.000 0.932 122 K CB -0.058 32.441 32.500 -0.002 0.000 0.715 122 K HN 0.002 nan 8.250 nan 0.000 0.437 123 A N 0.865 123.685 122.820 -0.000 0.000 1.903 123 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 123 A C 2.279 179.863 177.584 0.001 0.000 1.191 123 A CA 2.026 54.064 52.037 0.002 0.000 0.638 123 A CB -0.880 18.122 19.000 0.003 0.000 0.823 123 A HN 0.189 nan 8.150 nan 0.000 0.451 124 V N -0.591 119.322 119.914 -0.002 0.000 2.237 124 V HA -0.252 3.867 4.120 -0.000 0.000 0.245 124 V C 2.729 178.818 176.094 -0.007 0.000 1.046 124 V CA 2.544 64.841 62.300 -0.005 0.000 1.007 124 V CB -1.399 30.418 31.823 -0.011 0.000 0.638 124 V HN 0.618 nan 8.190 nan 0.000 0.445 125 T N 0.371 114.919 114.554 -0.010 0.000 2.685 125 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 125 T C 1.954 176.651 174.700 -0.005 0.000 1.034 125 T CA 1.981 64.075 62.100 -0.010 0.000 1.149 125 T CB -0.452 68.410 68.868 -0.010 0.000 0.860 125 T HN 0.601 nan 8.240 nan 0.000 0.449 126 A N 0.950 123.769 122.820 -0.002 0.000 1.897 126 A HA 0.316 4.635 4.320 -0.000 0.000 0.215 126 A C 2.610 180.195 177.584 0.003 0.000 1.181 126 A CA 1.618 53.656 52.037 0.001 0.000 0.620 126 A CB -0.967 18.034 19.000 0.002 0.000 0.821 126 A HN 0.508 nan 8.150 nan 0.000 0.443 127 A N -0.471 122.351 122.820 0.004 0.000 1.929 127 A HA 0.095 4.414 4.320 -0.000 0.000 0.216 127 A C 2.172 179.759 177.584 0.006 0.000 1.176 127 A CA 1.473 53.514 52.037 0.007 0.000 0.628 127 A CB -0.888 18.117 19.000 0.009 0.000 0.816 127 A HN 0.350 nan 8.150 nan 0.000 0.444 128 V N 0.140 120.055 119.914 0.002 0.000 2.250 128 V HA -0.328 3.791 4.120 -0.000 0.000 0.250 128 V C 2.553 178.649 176.094 0.003 0.000 1.060 128 V CA 2.574 64.874 62.300 0.001 0.000 1.030 128 V CB -0.883 30.936 31.823 -0.007 0.000 0.643 128 V HN 0.602 nan 8.190 nan 0.000 0.445 129 E N 0.118 120.319 120.200 0.002 0.000 2.035 129 E HA -0.226 4.124 4.350 -0.000 0.000 0.204 129 E C 2.309 178.914 176.600 0.007 0.000 1.025 129 E CA 1.659 58.062 56.400 0.004 0.000 0.835 129 E CB -0.373 29.329 29.700 0.003 0.000 0.764 129 E HN 0.556 nan 8.360 nan 0.000 0.457 130 E N -0.136 120.069 120.200 0.008 0.000 2.086 130 E HA -0.237 4.112 4.350 -0.000 0.000 0.200 130 E C 2.166 178.774 176.600 0.013 0.000 1.012 130 E CA 0.996 57.403 56.400 0.011 0.000 0.812 130 E CB -0.446 29.261 29.700 0.012 0.000 0.743 130 E HN 0.172 nan 8.360 nan 0.000 0.453 131 L N 1.579 122.810 121.223 0.014 0.000 2.051 131 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 131 L C 2.231 179.110 176.870 0.014 0.000 1.076 131 L CA 1.825 56.674 54.840 0.016 0.000 0.758 131 L CB -0.477 41.591 42.059 0.015 0.000 0.890 131 L HN 0.083 nan 8.230 nan 0.000 0.433 132 K N -1.264 119.143 120.400 0.012 0.000 2.209 132 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 132 K C 1.998 178.605 176.600 0.012 0.000 1.048 132 K CA 1.218 57.512 56.287 0.011 0.000 0.940 132 K CB -0.281 32.224 32.500 0.009 0.000 0.729 132 K HN 0.384 nan 8.250 nan 0.000 0.451 133 A N 1.207 124.034 122.820 0.012 0.000 1.930 133 A HA -0.059 4.260 4.320 -0.000 0.000 0.215 133 A C 2.046 179.639 177.584 0.015 0.000 1.176 133 A CA 0.655 52.700 52.037 0.013 0.000 0.632 133 A CB -0.241 18.765 19.000 0.012 0.000 0.819 133 A HN 0.192 nan 8.150 nan 0.000 0.445 134 L N -0.145 121.089 121.223 0.018 0.000 2.179 134 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 134 L C 1.318 178.201 176.870 0.022 0.000 1.096 134 L CA 0.972 55.826 54.840 0.022 0.000 0.779 134 L CB -0.581 41.494 42.059 0.026 0.000 0.922 134 L HN 0.209 nan 8.230 nan 0.000 0.443 135 S N -0.381 115.331 115.700 0.020 0.000 2.702 135 S HA 0.051 4.520 4.470 -0.000 0.000 0.314 135 S C -0.136 174.474 174.600 0.018 0.000 1.244 135 S CA -0.268 57.943 58.200 0.018 0.000 1.058 135 S CB -0.134 63.075 63.200 0.016 0.000 0.783 135 S HN 0.101 nan 8.310 nan 0.000 0.503 136 V N 9.227 129.151 119.914 0.018 0.000 2.394 136 V HA 0.354 4.474 4.120 -0.000 0.000 0.282 136 V C -1.927 174.176 176.094 0.015 0.000 1.031 136 V CA -1.828 60.482 62.300 0.016 0.000 0.881 136 V CB 1.309 33.142 31.823 0.018 0.000 0.982 136 V HN 0.725 nan 8.190 nan 0.000 0.451 137 P HA 0.140 nan 4.420 nan 0.000 0.270 137 P C -0.734 176.573 177.300 0.012 0.000 1.223 137 P CA -0.226 62.882 63.100 0.012 0.000 0.785 137 P CB 0.407 32.113 31.700 0.011 0.000 0.923 138 C N 1.960 121.267 119.300 0.012 0.000 2.356 138 C HA 0.619 5.079 4.460 -0.000 0.000 0.324 138 C C 1.208 176.204 174.990 0.010 0.000 1.167 138 C CA 0.394 59.418 59.018 0.011 0.000 1.420 138 C CB -0.556 27.191 27.740 0.012 0.000 2.036 138 C HN 0.654 nan 8.230 nan 0.000 0.435 139 S N 3.173 118.878 115.700 0.008 0.000 3.056 139 S HA 0.196 4.665 4.470 -0.000 0.000 0.255 139 S C 0.307 174.911 174.600 0.006 0.000 1.079 139 S CA 0.579 58.784 58.200 0.007 0.000 0.810 139 S CB -0.198 63.007 63.200 0.007 0.000 0.810 139 S HN 0.934 nan 8.310 nan 0.000 0.477 140 D N 1.368 121.772 120.400 0.005 0.000 2.360 140 D HA 0.324 4.964 4.640 -0.000 0.000 0.242 140 D C 1.033 177.335 176.300 0.003 0.000 1.184 140 D CA -0.034 53.968 54.000 0.004 0.000 0.930 140 D CB 0.368 41.171 40.800 0.004 0.000 1.161 140 D HN 0.094 nan 8.370 nan 0.000 0.447 141 S N -0.496 115.205 115.700 0.002 0.000 2.383 141 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 141 S C 1.573 176.174 174.600 0.002 0.000 1.030 141 S CA 1.547 59.748 58.200 0.001 0.000 1.002 141 S CB -0.328 62.873 63.200 0.000 0.000 0.829 141 S HN 0.618 nan 8.310 nan 0.000 0.467 142 K N 0.954 121.355 120.400 0.002 0.000 2.009 142 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 142 K C 2.160 178.762 176.600 0.004 0.000 1.049 142 K CA 1.420 57.709 56.287 0.003 0.000 0.929 142 K CB -0.418 32.084 32.500 0.003 0.000 0.714 142 K HN 0.306 nan 8.250 nan 0.000 0.440 143 A N 1.098 123.921 122.820 0.005 0.000 1.930 143 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 143 A C 2.009 179.596 177.584 0.006 0.000 1.175 143 A CA 1.173 53.213 52.037 0.006 0.000 0.627 143 A CB -0.469 18.536 19.000 0.007 0.000 0.815 143 A HN 0.309 nan 8.150 nan 0.000 0.443 144 I N 0.089 120.662 120.570 0.005 0.000 2.179 144 I HA -0.238 3.931 4.170 -0.000 0.000 0.242 144 I C 2.886 179.005 176.117 0.004 0.000 1.088 144 I CA 1.494 62.797 61.300 0.005 0.000 1.357 144 I CB -1.583 36.419 38.000 0.003 0.000 1.051 144 I HN 0.359 nan 8.210 nan 0.000 0.409 145 A N -0.248 122.573 122.820 0.002 0.000 1.929 145 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 145 A C 2.235 179.820 177.584 0.002 0.000 1.176 145 A CA 1.478 53.516 52.037 0.001 0.000 0.628 145 A CB -0.570 18.430 19.000 0.000 0.000 0.816 145 A HN 0.428 nan 8.150 nan 0.000 0.444 146 Q N 0.226 120.028 119.800 0.003 0.000 1.943 146 Q HA -0.218 4.122 4.340 -0.000 0.000 0.213 146 Q C 2.076 178.078 176.000 0.004 0.000 1.017 146 Q CA 3.361 59.166 55.803 0.003 0.000 0.874 146 Q CB -0.833 27.907 28.738 0.005 0.000 0.960 146 Q HN 0.701 nan 8.270 nan 0.000 0.417 147 V N -0.341 119.577 119.914 0.006 0.000 2.490 147 V HA -0.074 4.046 4.120 -0.000 0.000 0.250 147 V C 1.881 177.980 176.094 0.008 0.000 1.061 147 V CA 2.566 64.871 62.300 0.008 0.000 1.064 147 V CB -1.303 30.527 31.823 0.011 0.000 0.670 147 V HN 0.513 nan 8.190 nan 0.000 0.461 148 G N 0.722 109.526 108.800 0.007 0.000 2.480 148 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.216 148 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.216 148 G C 1.800 176.702 174.900 0.004 0.000 1.200 148 G CA 2.356 47.459 45.100 0.006 0.000 0.782 148 G HN 0.742 nan 8.290 nan 0.000 0.554 149 T N 0.270 114.825 114.554 0.001 0.000 2.720 149 T HA -0.105 4.244 4.350 -0.000 0.000 0.268 149 T C 2.417 177.116 174.700 -0.001 0.000 1.037 149 T CA 1.442 63.542 62.100 -0.001 0.000 1.144 149 T CB -0.384 68.483 68.868 -0.002 0.000 0.864 149 T HN 0.241 nan 8.240 nan 0.000 0.444 150 I N 1.733 122.302 120.570 -0.001 0.000 2.226 150 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 150 I C 2.992 179.107 176.117 -0.002 0.000 1.100 150 I CA 1.497 62.795 61.300 -0.003 0.000 1.374 150 I CB -0.495 37.503 38.000 -0.003 0.000 1.057 150 I HN 0.323 nan 8.210 nan 0.000 0.413 151 S N 0.234 115.935 115.700 0.003 0.000 2.489 151 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 151 S C 1.664 176.268 174.600 0.007 0.000 0.995 151 S CA 0.780 58.984 58.200 0.007 0.000 0.934 151 S CB -0.084 63.126 63.200 0.015 0.000 0.771 151 S HN 0.423 nan 8.310 nan 0.000 0.522 152 A N 1.451 124.273 122.820 0.004 0.000 2.545 152 A HA 0.411 4.731 4.320 -0.000 0.000 0.277 152 A C 0.492 178.074 177.584 -0.002 0.000 1.301 152 A CA -0.208 51.830 52.037 0.003 0.000 0.935 152 A CB -0.671 18.330 19.000 0.002 0.000 1.093 152 A HN 0.690 nan 8.150 nan 0.000 0.519 153 N N 0.245 118.942 118.700 -0.004 0.000 2.729 153 N HA -0.199 4.541 4.740 -0.000 0.000 0.259 153 N C 0.128 175.632 175.510 -0.009 0.000 1.119 153 N CA 0.533 53.578 53.050 -0.008 0.000 0.679 153 N CB -1.137 37.345 38.487 -0.008 0.000 0.892 153 N HN 0.395 nan 8.380 nan 0.000 0.558 154 S N -0.783 114.911 115.700 -0.009 0.000 3.257 154 S HA -0.230 4.240 4.470 -0.000 0.000 0.300 154 S C -0.185 174.411 174.600 -0.007 0.000 1.275 154 S CA 1.368 59.562 58.200 -0.009 0.000 1.023 154 S CB -0.698 62.495 63.200 -0.012 0.000 1.180 154 S HN 0.791 nan 8.310 nan 0.000 0.660 155 D N 1.285 121.682 120.400 -0.006 0.000 2.422 155 D HA 0.285 4.924 4.640 -0.000 0.000 0.227 155 D C 0.989 177.286 176.300 -0.004 0.000 1.190 155 D CA -0.189 53.808 54.000 -0.005 0.000 0.905 155 D CB 0.469 41.266 40.800 -0.005 0.000 1.034 155 D HN 0.422 nan 8.370 nan 0.000 0.507 156 E N 1.000 121.197 120.200 -0.004 0.000 2.209 156 E HA -0.183 4.166 4.350 -0.000 0.000 0.196 156 E C 1.763 178.361 176.600 -0.004 0.000 0.993 156 E CA 1.403 57.801 56.400 -0.004 0.000 0.819 156 E CB 0.257 29.955 29.700 -0.003 0.000 0.745 156 E HN 0.638 nan 8.360 nan 0.000 0.477 157 T N -1.710 112.841 114.554 -0.004 0.000 2.867 157 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 157 T C 1.987 176.684 174.700 -0.005 0.000 1.057 157 T CA 1.044 63.141 62.100 -0.005 0.000 1.136 157 T CB -0.304 68.561 68.868 -0.005 0.000 0.874 157 T HN -0.030 nan 8.240 nan 0.000 0.466 158 V N 1.834 121.745 119.914 -0.005 0.000 2.358 158 V HA 0.080 4.200 4.120 -0.000 0.000 0.246 158 V C 3.156 179.247 176.094 -0.005 0.000 1.047 158 V CA 1.576 63.872 62.300 -0.005 0.000 1.035 158 V CB -1.596 30.224 31.823 -0.004 0.000 0.658 158 V HN 0.649 nan 8.190 nan 0.000 0.452 159 G N -0.085 108.713 108.800 -0.003 0.000 2.476 159 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.218 159 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.218 159 G C 1.627 176.525 174.900 -0.003 0.000 1.164 159 G CA 1.349 46.448 45.100 -0.002 0.000 0.768 159 G HN 0.486 nan 8.290 nan 0.000 0.560 160 K N -0.497 119.901 120.400 -0.004 0.000 2.001 160 K HA -0.086 4.234 4.320 -0.000 0.000 0.214 160 K C 2.539 179.136 176.600 -0.006 0.000 1.050 160 K CA 1.327 57.611 56.287 -0.004 0.000 0.934 160 K CB -0.338 32.160 32.500 -0.004 0.000 0.718 160 K HN 0.217 nan 8.250 nan 0.000 0.443 161 L N 1.023 122.242 121.223 -0.007 0.000 2.042 161 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 161 L C 2.140 179.004 176.870 -0.011 0.000 1.076 161 L CA 1.531 56.365 54.840 -0.009 0.000 0.749 161 L CB -0.326 41.727 42.059 -0.011 0.000 0.893 161 L HN 0.278 nan 8.230 nan 0.000 0.432 162 I N -1.281 119.283 120.570 -0.010 0.000 2.163 162 I HA -0.306 3.863 4.170 -0.000 0.000 0.240 162 I C 2.636 178.748 176.117 -0.008 0.000 1.081 162 I CA 1.172 62.465 61.300 -0.011 0.000 1.353 162 I CB -0.651 37.343 38.000 -0.009 0.000 1.054 162 I HN 0.222 nan 8.210 nan 0.000 0.407 163 A N 0.335 123.151 122.820 -0.005 0.000 1.927 163 A HA -0.314 4.006 4.320 -0.000 0.000 0.220 163 A C 2.254 179.835 177.584 -0.005 0.000 1.185 163 A CA 2.270 54.304 52.037 -0.004 0.000 0.639 163 A CB -0.780 18.219 19.000 -0.002 0.000 0.820 163 A HN 0.501 nan 8.150 nan 0.000 0.451 164 E N -0.802 119.394 120.200 -0.006 0.000 2.072 164 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 164 E C 2.415 179.010 176.600 -0.008 0.000 0.985 164 E CA 0.762 57.158 56.400 -0.007 0.000 0.801 164 E CB -0.256 29.439 29.700 -0.007 0.000 0.750 164 E HN 0.631 nan 8.360 nan 0.000 0.452 165 A N 1.656 124.469 122.820 -0.010 0.000 1.841 165 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 165 A C 2.230 179.807 177.584 -0.011 0.000 1.199 165 A CA 1.909 53.938 52.037 -0.012 0.000 0.621 165 A CB -0.694 18.296 19.000 -0.017 0.000 0.835 165 A HN 0.167 nan 8.150 nan 0.000 0.445 166 M N -0.841 118.753 119.600 -0.010 0.000 2.116 166 M HA -0.272 4.208 4.480 -0.000 0.000 0.255 166 M C 1.769 178.066 176.300 -0.006 0.000 1.075 166 M CA 2.366 57.662 55.300 -0.007 0.000 1.087 166 M CB -1.182 31.415 32.600 -0.005 0.000 1.340 166 M HN 0.529 nan 8.290 nan 0.000 0.402 167 D N 0.234 120.631 120.400 -0.005 0.000 2.263 167 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 167 D C 1.863 178.160 176.300 -0.005 0.000 0.971 167 D CA 1.149 55.147 54.000 -0.004 0.000 0.867 167 D CB 0.249 41.047 40.800 -0.004 0.000 0.929 167 D HN 0.371 nan 8.370 nan 0.000 0.492 168 K N -1.077 119.319 120.400 -0.006 0.000 2.262 168 K HA 0.132 4.451 4.320 -0.000 0.000 0.200 168 K C 1.319 177.915 176.600 -0.007 0.000 1.058 168 K CA 0.235 56.518 56.287 -0.007 0.000 0.974 168 K CB 0.768 33.264 32.500 -0.008 0.000 0.910 168 K HN -0.025 nan 8.250 nan 0.000 0.484 169 V N 0.357 120.266 119.914 -0.008 0.000 3.528 169 V HA 0.296 4.416 4.120 -0.000 0.000 0.294 169 V C -0.192 175.899 176.094 -0.006 0.000 1.404 169 V CA 0.687 62.983 62.300 -0.007 0.000 1.065 169 V CB 0.310 32.128 31.823 -0.009 0.000 0.904 169 V HN 0.512 nan 8.190 nan 0.000 0.435 170 G N 0.836 109.632 108.800 -0.005 0.000 2.619 170 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 170 G C -0.070 174.828 174.900 -0.003 0.000 1.256 170 G CA -0.099 44.999 45.100 -0.004 0.000 0.826 170 G HN 0.333 nan 8.290 nan 0.000 0.619 171 K N 0.068 120.468 120.400 -0.001 0.000 2.515 171 K HA 0.028 4.348 4.320 -0.000 0.000 0.196 171 K C 1.874 178.474 176.600 0.001 0.000 1.038 171 K CA 1.635 57.922 56.287 0.000 0.000 0.967 171 K CB 0.158 32.660 32.500 0.003 0.000 0.780 171 K HN 0.422 nan 8.250 nan 0.000 0.483 172 E N 0.690 120.890 120.200 0.000 0.000 2.057 172 E HA 0.066 4.415 4.350 -0.000 0.000 0.191 172 E C 0.678 177.276 176.600 -0.003 0.000 0.959 172 E CA 0.538 56.939 56.400 0.001 0.000 0.828 172 E CB -0.445 29.256 29.700 0.002 0.000 0.800 172 E HN 0.283 nan 8.360 nan 0.000 0.460 173 G N 1.304 110.101 108.800 -0.004 0.000 2.548 173 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.243 173 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.243 173 G C -0.000 174.892 174.900 -0.013 0.000 0.801 173 G CA 0.069 45.165 45.100 -0.007 0.000 0.977 173 G HN 0.117 nan 8.290 nan 0.000 0.363 174 V N 4.460 124.366 119.914 -0.014 0.000 2.446 174 V HA 0.143 4.263 4.120 -0.000 0.000 0.276 174 V C 0.876 176.952 176.094 -0.030 0.000 1.030 174 V CA 0.468 62.753 62.300 -0.024 0.000 1.033 174 V CB 0.147 31.956 31.823 -0.023 0.000 0.993 174 V HN 0.488 nan 8.190 nan 0.000 0.477 175 I N 5.646 126.192 120.570 -0.039 0.000 2.382 175 I HA 0.491 4.660 4.170 -0.000 0.000 0.286 175 I C 0.414 176.497 176.117 -0.057 0.000 1.002 175 I CA -0.248 61.026 61.300 -0.043 0.000 1.135 175 I CB 1.754 39.730 38.000 -0.040 0.000 1.288 175 I HN 0.660 nan 8.210 nan 0.000 0.448 176 T N 2.560 117.084 114.554 -0.050 0.000 2.940 176 T HA 0.786 5.136 4.350 -0.000 0.000 0.288 176 T C -0.401 174.272 174.700 -0.046 0.000 1.045 176 T CA -0.840 61.227 62.100 -0.055 0.000 1.018 176 T CB 2.282 71.120 68.868 -0.051 0.000 1.151 176 T HN 0.187 nan 8.240 nan 0.000 0.529 177 V N 0.845 120.732 119.914 -0.046 0.000 2.540 177 V HA 0.578 4.698 4.120 -0.000 0.000 0.302 177 V C -0.283 175.793 176.094 -0.030 0.000 1.035 177 V CA -0.787 61.491 62.300 -0.036 0.000 0.873 177 V CB 1.400 33.200 31.823 -0.038 0.000 0.992 177 V HN 0.976 nan 8.190 nan 0.000 0.428 178 E N 1.356 121.542 120.200 -0.025 0.000 2.281 178 E HA 0.425 4.775 4.350 -0.000 0.000 0.262 178 E C -1.341 175.248 176.600 -0.017 0.000 0.933 178 E CA -1.010 55.377 56.400 -0.021 0.000 0.809 178 E CB 1.636 31.323 29.700 -0.021 0.000 1.242 178 E HN 0.665 nan 8.360 nan 0.000 0.418 179 D N 0.628 121.019 120.400 -0.015 0.000 2.455 179 D HA 0.179 4.819 4.640 -0.000 0.000 0.241 179 D C -0.110 176.182 176.300 -0.013 0.000 1.138 179 D CA 0.464 54.457 54.000 -0.012 0.000 0.877 179 D CB 0.846 41.640 40.800 -0.010 0.000 1.187 179 D HN 0.436 nan 8.370 nan 0.000 0.451 180 G N 0.171 108.964 108.800 -0.011 0.000 2.444 180 G HA2 0.366 4.326 3.960 -0.000 0.000 0.268 180 G HA3 0.366 4.326 3.960 -0.000 0.000 0.268 180 G C 0.903 175.798 174.900 -0.010 0.000 1.203 180 G CA -0.370 44.724 45.100 -0.011 0.000 0.835 180 G HN 0.488 nan 8.290 nan 0.000 0.543 181 T N -1.180 113.368 114.554 -0.010 0.000 3.001 181 T HA 0.388 4.737 4.350 -0.000 0.000 0.251 181 T C 1.156 175.851 174.700 -0.008 0.000 1.040 181 T CA 0.627 62.721 62.100 -0.009 0.000 0.985 181 T CB 0.551 69.413 68.868 -0.010 0.000 1.011 181 T HN 0.733 nan 8.240 nan 0.000 0.509 182 G N 1.143 109.939 108.800 -0.008 0.000 3.122 182 G HA2 0.545 4.505 3.960 -0.000 0.000 0.180 182 G HA3 0.545 4.505 3.960 -0.000 0.000 0.180 182 G C 0.137 175.033 174.900 -0.006 0.000 1.279 182 G CA -0.373 44.723 45.100 -0.007 0.000 0.987 182 G HN 0.214 nan 8.290 nan 0.000 0.589 183 L N -0.920 120.299 121.223 -0.006 0.000 2.513 183 L HA 0.365 4.705 4.340 -0.000 0.000 0.222 183 L C 0.700 177.566 176.870 -0.006 0.000 1.096 183 L CA 0.407 55.243 54.840 -0.006 0.000 0.857 183 L CB -0.237 41.819 42.059 -0.005 0.000 1.026 183 L HN 0.237 nan 8.230 nan 0.000 0.469 184 Q N 1.720 121.516 119.800 -0.006 0.000 2.288 184 Q HA 0.164 4.503 4.340 -0.000 0.000 0.254 184 Q C -0.749 175.246 176.000 -0.008 0.000 0.932 184 Q CA -0.220 55.579 55.803 -0.007 0.000 0.902 184 Q CB 0.860 29.595 28.738 -0.007 0.000 1.203 184 Q HN 0.313 nan 8.270 nan 0.000 0.415 185 D N 2.152 122.547 120.400 -0.008 0.000 2.399 185 D HA 0.124 4.763 4.640 -0.000 0.000 0.241 185 D C -0.262 176.032 176.300 -0.009 0.000 1.133 185 D CA 0.432 54.427 54.000 -0.009 0.000 0.890 185 D CB 0.911 41.706 40.800 -0.009 0.000 1.201 185 D HN 0.372 nan 8.370 nan 0.000 0.432 186 E N 0.304 120.498 120.200 -0.011 0.000 2.317 186 E HA 0.520 4.869 4.350 -0.000 0.000 0.270 186 E C -0.843 175.750 176.600 -0.012 0.000 0.885 186 E CA -0.721 55.672 56.400 -0.011 0.000 0.760 186 E CB 2.626 32.319 29.700 -0.011 0.000 1.227 186 E HN 0.159 nan 8.360 nan 0.000 0.434 187 L N 2.752 123.968 121.223 -0.012 0.000 2.372 187 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 187 L C -1.547 175.316 176.870 -0.012 0.000 0.988 187 L CA -0.454 54.378 54.840 -0.013 0.000 0.833 187 L CB 0.956 43.008 42.059 -0.012 0.000 1.236 187 L HN 0.606 nan 8.230 nan 0.000 0.410 188 D N 4.315 124.707 120.400 -0.014 0.000 2.646 188 D HA 0.368 5.008 4.640 -0.000 0.000 0.245 188 D C -0.516 175.776 176.300 -0.014 0.000 1.099 188 D CA -0.244 53.748 54.000 -0.013 0.000 0.849 188 D CB 3.205 43.997 40.800 -0.013 0.000 1.448 188 D HN 0.299 nan 8.370 nan 0.000 0.489 189 V N -0.399 119.508 119.914 -0.012 0.000 2.567 189 V HA 0.777 4.897 4.120 -0.000 0.000 0.289 189 V C -0.053 176.035 176.094 -0.011 0.000 1.049 189 V CA -0.424 61.869 62.300 -0.012 0.000 0.969 189 V CB 1.601 33.419 31.823 -0.010 0.000 0.995 189 V HN 0.330 nan 8.190 nan 0.000 0.471 190 V N 2.055 121.962 119.914 -0.011 0.000 3.048 190 V HA 0.454 4.573 4.120 -0.000 0.000 0.303 190 V C -0.566 175.523 176.094 -0.008 0.000 1.214 190 V CA -0.566 61.728 62.300 -0.011 0.000 0.984 190 V CB 2.252 34.066 31.823 -0.014 0.000 1.054 190 V HN 1.096 nan 8.190 nan 0.000 0.430 191 E N 2.716 122.912 120.200 -0.007 0.000 2.529 191 E HA 0.459 4.808 4.350 -0.000 0.000 0.259 191 E C 0.399 176.998 176.600 -0.001 0.000 0.966 191 E CA 1.243 57.642 56.400 -0.003 0.000 0.937 191 E CB 0.818 30.517 29.700 -0.003 0.000 0.923 191 E HN 1.128 nan 8.360 nan 0.000 0.468 192 G N 1.087 109.890 108.800 0.005 0.000 2.392 192 G HA2 0.495 4.455 3.960 -0.000 0.000 0.260 192 G HA3 0.495 4.455 3.960 -0.000 0.000 0.260 192 G C -0.975 173.938 174.900 0.022 0.000 1.226 192 G CA -0.320 44.786 45.100 0.010 0.000 0.913 192 G HN 0.458 nan 8.290 nan 0.000 0.483 193 M N -0.377 119.238 119.600 0.024 0.000 3.070 193 M HA 0.375 4.855 4.480 -0.000 0.000 0.244 193 M C -2.435 173.887 176.300 0.035 0.000 0.841 193 M CA -0.511 54.819 55.300 0.050 0.000 0.809 193 M CB 1.958 34.618 32.600 0.100 0.000 1.604 193 M HN 0.896 nan 8.290 nan 0.000 0.582 194 Q N 2.766 122.596 119.800 0.050 0.000 2.309 194 Q HA 0.735 5.075 4.340 -0.000 0.000 0.273 194 Q C -2.225 173.819 176.000 0.073 0.000 1.040 194 Q CA -0.628 55.156 55.803 -0.032 0.000 0.834 194 Q CB 2.384 31.084 28.738 -0.062 0.000 1.345 194 Q HN 0.542 nan 8.270 nan 0.000 0.414 195 F N -0.074 119.872 119.950 -0.007 0.000 2.588 195 F HA 0.505 5.032 4.527 -0.001 0.000 0.310 195 F C -0.479 175.320 175.800 -0.002 0.000 1.082 195 F CA -1.132 56.866 58.000 -0.003 0.000 0.929 195 F CB 1.248 40.248 39.000 -0.000 0.000 1.254 195 F HN 0.317 nan 8.300 nan 0.000 0.455 196 D N 3.283 123.818 120.400 0.224 0.000 2.745 196 D HA 0.133 4.773 4.640 -0.000 0.000 0.229 196 D C -0.220 176.171 176.300 0.151 0.000 1.088 196 D CA 0.466 54.538 54.000 0.119 0.000 1.054 196 D CB -0.231 40.626 40.800 0.096 0.000 1.132 196 D HN 0.310 nan 8.370 nan 0.000 0.464 197 R N -0.231 120.358 120.500 0.149 0.000 2.673 197 R HA 0.658 4.998 4.340 -0.000 0.000 0.281 197 R C 0.306 176.597 176.300 -0.015 0.000 0.991 197 R CA -0.817 55.360 56.100 0.128 0.000 0.896 197 R CB 2.190 32.678 30.300 0.314 0.000 1.201 197 R HN 0.156 nan 8.270 nan 0.000 0.457 198 G N 0.869 109.637 108.800 -0.053 0.000 2.537 198 G HA2 0.459 4.418 3.960 -0.000 0.000 0.323 198 G HA3 0.459 4.418 3.960 -0.000 0.000 0.323 198 G C -0.698 174.150 174.900 -0.088 0.000 1.207 198 G CA -0.613 44.377 45.100 -0.184 0.000 0.976 198 G HN 0.456 nan 8.290 nan 0.000 0.487 199 Y N -0.867 119.468 120.300 0.058 0.000 2.788 199 Y HA 0.181 4.731 4.550 -0.000 0.000 0.341 199 Y C 1.024 177.026 175.900 0.170 0.000 1.258 199 Y CA -0.797 57.377 58.100 0.122 0.000 1.503 199 Y CB 0.311 38.885 38.460 0.191 0.000 1.325 199 Y HN 0.207 nan 8.280 nan 0.000 0.614 200 L N 1.966 123.500 121.223 0.518 0.000 2.558 200 L HA 0.146 4.486 4.340 -0.000 0.000 0.225 200 L C 0.608 177.705 176.870 0.379 0.000 1.128 200 L CA 0.804 55.881 54.840 0.395 0.000 0.868 200 L CB -0.102 42.157 42.059 0.334 0.000 1.006 200 L HN 0.811 nan 8.230 nan 0.000 0.454 201 S N -1.436 114.525 115.700 0.435 0.000 2.563 201 S HA 0.337 4.807 4.470 -0.000 0.000 0.279 201 S C -2.411 171.995 174.600 -0.324 0.000 1.155 201 S CA -0.910 57.284 58.200 -0.010 0.000 0.928 201 S CB 1.743 64.770 63.200 -0.288 0.000 1.107 201 S HN -0.244 nan 8.310 nan 0.000 0.462 202 P HA -0.017 nan 4.420 nan 0.000 0.222 202 P C 0.490 177.433 177.300 -0.595 0.000 1.147 202 P CA 0.888 63.532 63.100 -0.759 0.000 0.790 202 P CB -0.141 31.238 31.700 -0.534 0.000 0.780 203 Y N -2.613 117.447 120.300 -0.400 0.000 2.616 203 Y HA -0.006 4.543 4.550 -0.000 0.000 0.296 203 Y C 1.762 177.476 175.900 -0.310 0.000 1.154 203 Y CA 0.295 58.192 58.100 -0.338 0.000 1.325 203 Y CB -1.236 37.021 38.460 -0.339 0.000 1.007 203 Y HN -0.062 nan 8.280 nan 0.000 0.542 204 F N -0.270 119.630 119.950 -0.083 0.000 2.325 204 F HA -0.003 4.523 4.527 -0.001 0.000 0.299 204 F C 1.139 176.885 175.800 -0.091 0.000 1.090 204 F CA -0.384 57.573 58.000 -0.071 0.000 1.392 204 F CB -0.789 38.169 39.000 -0.070 0.000 1.053 204 F HN -0.179 nan 8.300 nan 0.000 0.521 205 I N 2.581 123.142 120.570 -0.015 0.000 2.919 205 I HA -0.228 3.941 4.170 -0.000 0.000 0.299 205 I C 0.895 177.025 176.117 0.022 0.000 1.221 205 I CA 0.435 61.718 61.300 -0.028 0.000 1.424 205 I CB 0.156 38.092 38.000 -0.107 0.000 1.358 205 I HN 0.215 nan 8.210 nan 0.000 0.551 206 N N 5.337 124.058 118.700 0.035 0.000 2.184 206 N HA 0.054 4.794 4.740 -0.000 0.000 0.206 206 N C -0.237 175.285 175.510 0.020 0.000 1.151 206 N CA -0.099 52.969 53.050 0.030 0.000 0.878 206 N CB 0.421 38.929 38.487 0.036 0.000 1.014 206 N HN 0.469 nan 8.380 nan 0.000 0.512 207 K N 0.892 121.304 120.400 0.019 0.000 2.920 207 K HA 0.272 4.592 4.320 -0.000 0.000 0.175 207 K C -2.170 174.441 176.600 0.018 0.000 1.099 207 K CA -1.539 54.758 56.287 0.017 0.000 0.939 207 K CB 2.013 34.523 32.500 0.018 0.000 1.148 207 K HN -0.081 nan 8.250 nan 0.000 0.613 208 P HA -0.183 nan 4.420 nan 0.000 0.224 208 P C 0.193 177.502 177.300 0.015 0.000 1.142 208 P CA 1.227 64.333 63.100 0.010 0.000 0.778 208 P CB 0.396 32.099 31.700 0.006 0.000 0.764 209 E N -1.112 119.098 120.200 0.017 0.000 2.299 209 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 209 E C 1.456 178.072 176.600 0.026 0.000 0.998 209 E CA 1.021 57.432 56.400 0.018 0.000 0.851 209 E CB -0.864 28.845 29.700 0.014 0.000 0.795 209 E HN 0.248 nan 8.360 nan 0.000 0.492 210 T N -0.681 113.892 114.554 0.032 0.000 3.086 210 T HA 0.203 4.552 4.350 -0.000 0.000 0.250 210 T C 1.242 175.978 174.700 0.059 0.000 1.074 210 T CA 0.269 62.395 62.100 0.045 0.000 0.988 210 T CB 0.320 69.212 68.868 0.041 0.000 0.988 210 T HN 0.305 nan 8.240 nan 0.000 0.530 211 G N 1.852 110.683 108.800 0.052 0.000 2.393 211 G HA2 0.049 4.008 3.960 -0.000 0.000 0.299 211 G HA3 0.049 4.008 3.960 -0.000 0.000 0.299 211 G C 0.053 175.028 174.900 0.126 0.000 0.990 211 G CA 0.162 45.303 45.100 0.069 0.000 1.118 211 G HN 0.971 nan 8.290 nan 0.000 0.513 212 A N -1.229 121.649 122.820 0.096 0.000 2.587 212 A HA 0.860 5.180 4.320 -0.000 0.000 0.293 212 A C -0.484 177.152 177.584 0.085 0.000 1.087 212 A CA -0.308 51.805 52.037 0.128 0.000 0.692 212 A CB 1.920 20.977 19.000 0.094 0.000 1.291 212 A HN 1.239 nan 8.150 nan 0.000 0.407 213 V N 1.009 120.986 119.914 0.104 0.000 2.427 213 V HA 0.532 4.652 4.120 -0.000 0.000 0.286 213 V C -0.039 176.078 176.094 0.038 0.000 1.034 213 V CA -0.236 62.107 62.300 0.071 0.000 0.893 213 V CB 1.344 33.220 31.823 0.089 0.000 0.982 213 V HN 0.883 nan 8.190 nan 0.000 0.452 214 E N 4.515 124.729 120.200 0.023 0.000 2.325 214 E HA 0.508 4.857 4.350 -0.000 0.000 0.248 214 E C -1.524 175.077 176.600 0.001 0.000 0.912 214 E CA -0.406 55.997 56.400 0.006 0.000 0.782 214 E CB 1.374 31.077 29.700 0.005 0.000 1.264 214 E HN 0.588 nan 8.360 nan 0.000 0.417 215 L N 3.001 124.219 121.223 -0.009 0.000 2.317 215 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 215 L C 0.044 176.901 176.870 -0.022 0.000 1.024 215 L CA -0.669 54.164 54.840 -0.011 0.000 0.810 215 L CB 1.560 43.611 42.059 -0.014 0.000 1.240 215 L HN 0.351 nan 8.230 nan 0.000 0.427 216 E N 1.859 122.046 120.200 -0.022 0.000 2.129 216 E HA 0.233 4.583 4.350 -0.000 0.000 0.268 216 E C -0.196 176.371 176.600 -0.055 0.000 0.900 216 E CA -0.373 56.006 56.400 -0.034 0.000 0.755 216 E CB 1.593 31.277 29.700 -0.025 0.000 1.117 216 E HN 0.645 nan 8.360 nan 0.000 0.410 217 S N 1.766 117.418 115.700 -0.079 0.000 3.635 217 S HA -0.103 4.366 4.470 -0.000 0.000 0.328 217 S C -2.208 172.271 174.600 -0.201 0.000 1.135 217 S CA 0.144 58.264 58.200 -0.133 0.000 0.942 217 S CB -0.973 62.150 63.200 -0.129 0.000 0.930 217 S HN 0.480 nan 8.310 nan 0.000 0.512 218 P HA 0.359 nan 4.420 nan 0.000 0.274 218 P C 0.168 177.372 177.300 -0.159 0.000 1.231 218 P CA -0.369 62.672 63.100 -0.099 0.000 0.790 218 P CB 0.334 32.020 31.700 -0.022 0.000 0.951 219 F N 1.106 121.055 119.950 -0.002 0.000 2.410 219 F HA 0.312 4.838 4.527 -0.000 0.000 0.334 219 F C 1.065 176.865 175.800 0.001 0.000 1.134 219 F CA 0.076 58.076 58.000 0.000 0.000 1.227 219 F CB 0.297 39.297 39.000 0.001 0.000 1.194 219 F HN 0.075 nan 8.300 nan 0.000 0.571 220 I N 3.787 124.474 120.570 0.196 0.000 2.411 220 I HA 0.207 4.376 4.170 -0.000 0.000 0.284 220 I C -1.077 175.098 176.117 0.096 0.000 1.012 220 I CA -0.807 60.561 61.300 0.114 0.000 1.119 220 I CB 1.542 39.590 38.000 0.080 0.000 1.261 220 I HN 0.277 nan 8.210 nan 0.000 0.448 221 L N 8.064 129.330 121.223 0.071 0.000 2.313 221 L HA 0.353 4.693 4.340 -0.000 0.000 0.282 221 L C -0.554 176.338 176.870 0.036 0.000 1.092 221 L CA 0.342 55.209 54.840 0.044 0.000 0.831 221 L CB 0.470 42.547 42.059 0.030 0.000 1.159 221 L HN 0.535 nan 8.230 nan 0.000 0.442 222 L N 6.748 127.987 121.223 0.026 0.000 2.843 222 L HA 0.499 4.838 4.340 -0.000 0.000 0.234 222 L C 0.312 177.184 176.870 0.004 0.000 1.264 222 L CA -0.311 54.538 54.840 0.014 0.000 1.052 222 L CB 0.342 42.408 42.059 0.010 0.000 1.372 222 L HN 0.813 nan 8.230 nan 0.000 0.466 223 A N 0.003 122.828 122.820 0.007 0.000 2.366 223 A HA 0.264 4.583 4.320 -0.000 0.000 0.272 223 A C -0.088 177.496 177.584 0.000 0.000 1.135 223 A CA -0.297 51.743 52.037 0.005 0.000 0.804 223 A CB 0.372 19.379 19.000 0.011 0.000 1.064 223 A HN 0.466 nan 8.150 nan 0.000 0.499 224 D N 1.746 122.144 120.400 -0.002 0.000 2.638 224 D HA 0.420 5.060 4.640 -0.000 0.000 0.245 224 D C -0.121 176.181 176.300 0.003 0.000 1.176 224 D CA -0.074 53.923 54.000 -0.004 0.000 0.996 224 D CB -0.480 40.314 40.800 -0.010 0.000 1.012 224 D HN 0.662 nan 8.370 nan 0.000 0.515 225 K N -0.474 119.931 120.400 0.009 0.000 2.735 225 K HA 0.314 4.634 4.320 -0.000 0.000 0.295 225 K C -1.348 175.264 176.600 0.020 0.000 1.052 225 K CA -1.140 55.155 56.287 0.014 0.000 0.853 225 K CB 0.659 33.166 32.500 0.012 0.000 1.535 225 K HN -0.160 nan 8.250 nan 0.000 0.383 226 K N 1.359 121.773 120.400 0.023 0.000 2.258 226 K HA 0.358 4.678 4.320 -0.000 0.000 0.284 226 K C -0.585 176.032 176.600 0.028 0.000 1.051 226 K CA -0.408 55.896 56.287 0.028 0.000 0.923 226 K CB 0.673 33.190 32.500 0.029 0.000 1.046 226 K HN 0.363 nan 8.250 nan 0.000 0.474 227 I N 2.716 123.306 120.570 0.034 0.000 2.297 227 I HA 0.017 4.186 4.170 -0.000 0.000 0.291 227 I C 0.702 176.842 176.117 0.039 0.000 1.033 227 I CA 0.113 61.434 61.300 0.035 0.000 1.253 227 I CB 1.393 39.416 38.000 0.038 0.000 1.396 227 I HN 0.684 nan 8.210 nan 0.000 0.476 228 S N 4.023 119.742 115.700 0.032 0.000 2.591 228 S HA 0.189 4.659 4.470 -0.000 0.000 0.235 228 S C 0.628 175.246 174.600 0.030 0.000 1.074 228 S CA -0.017 58.202 58.200 0.032 0.000 0.925 228 S CB 0.283 63.498 63.200 0.025 0.000 0.818 228 S HN 0.608 nan 8.310 nan 0.000 0.535 229 N N 1.579 120.294 118.700 0.025 0.000 2.430 229 N HA 0.317 5.057 4.740 -0.000 0.000 0.292 229 N C 0.069 175.593 175.510 0.024 0.000 1.051 229 N CA -0.247 52.816 53.050 0.022 0.000 0.917 229 N CB 1.825 40.322 38.487 0.016 0.000 1.164 229 N HN 0.076 nan 8.380 nan 0.000 0.484 230 I N 1.769 122.354 120.570 0.024 0.000 3.111 230 I HA -0.101 4.068 4.170 -0.000 0.000 0.272 230 I C 2.013 178.140 176.117 0.016 0.000 1.268 230 I CA 0.593 61.908 61.300 0.024 0.000 1.467 230 I CB 0.089 38.104 38.000 0.026 0.000 1.087 230 I HN 0.461 nan 8.210 nan 0.000 0.467 231 R N 0.840 121.348 120.500 0.013 0.000 2.083 231 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 231 R C 1.892 178.196 176.300 0.007 0.000 1.137 231 R CA 1.913 58.017 56.100 0.008 0.000 0.951 231 R CB -0.146 30.159 30.300 0.007 0.000 0.851 231 R HN 0.460 nan 8.270 nan 0.000 0.434 232 E N -0.264 119.941 120.200 0.009 0.000 2.209 232 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 232 E C 1.829 178.432 176.600 0.005 0.000 0.993 232 E CA 0.909 57.313 56.400 0.007 0.000 0.819 232 E CB 0.006 29.711 29.700 0.010 0.000 0.745 232 E HN 0.273 nan 8.360 nan 0.000 0.477 233 M N 0.073 119.678 119.600 0.008 0.000 2.248 233 M HA -0.004 4.475 4.480 -0.000 0.000 0.265 233 M C 2.282 178.582 176.300 -0.001 0.000 1.079 233 M CA 0.966 56.270 55.300 0.007 0.000 1.150 233 M CB -0.571 32.039 32.600 0.016 0.000 1.366 233 M HN 0.160 nan 8.290 nan 0.000 0.433 234 L N 0.584 121.807 121.223 0.000 0.000 2.189 234 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 234 L C -0.377 176.486 176.870 -0.012 0.000 1.097 234 L CA 1.353 56.191 54.840 -0.004 0.000 0.764 234 L CB -2.051 40.008 42.059 -0.001 0.000 0.900 234 L HN 0.203 nan 8.230 nan 0.000 0.436 235 P HA -0.094 nan 4.420 nan 0.000 0.216 235 P C 1.838 179.115 177.300 -0.038 0.000 1.153 235 P CA 1.216 64.301 63.100 -0.025 0.000 0.844 235 P CB 0.141 31.827 31.700 -0.022 0.000 0.787 236 V N 0.254 120.145 119.914 -0.038 0.000 2.488 236 V HA -0.127 3.993 4.120 -0.000 0.000 0.246 236 V C 2.752 178.811 176.094 -0.060 0.000 1.046 236 V CA 1.189 63.454 62.300 -0.058 0.000 1.053 236 V CB -1.118 30.678 31.823 -0.046 0.000 0.679 236 V HN -0.007 nan 8.190 nan 0.000 0.458 237 L N -0.320 120.884 121.223 -0.031 0.000 2.362 237 L HA -0.143 4.197 4.340 -0.000 0.000 0.219 237 L C 2.441 179.297 176.870 -0.023 0.000 1.134 237 L CA 1.305 56.134 54.840 -0.018 0.000 0.807 237 L CB -0.278 41.782 42.059 0.002 0.000 0.927 237 L HN 0.417 nan 8.230 nan 0.000 0.447 238 E N -0.417 119.765 120.200 -0.031 0.000 2.122 238 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 238 E C 2.245 178.817 176.600 -0.046 0.000 0.977 238 E CA 0.795 57.177 56.400 -0.030 0.000 0.820 238 E CB 0.093 29.777 29.700 -0.026 0.000 0.770 238 E HN 0.462 nan 8.360 nan 0.000 0.462 239 A N 0.397 123.172 122.820 -0.076 0.000 1.929 239 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 239 A C 2.324 179.819 177.584 -0.148 0.000 1.176 239 A CA 0.714 52.683 52.037 -0.114 0.000 0.628 239 A CB -0.373 18.536 19.000 -0.152 0.000 0.816 239 A HN 0.123 nan 8.150 nan 0.000 0.444 240 V N -0.082 119.741 119.914 -0.152 0.000 2.307 240 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 240 V C 3.053 179.143 176.094 -0.007 0.000 1.045 240 V CA 1.876 64.106 62.300 -0.117 0.000 1.024 240 V CB -1.051 30.730 31.823 -0.069 0.000 0.651 240 V HN 0.588 nan 8.190 nan 0.000 0.449 241 A N -0.832 121.984 122.820 -0.006 0.000 2.024 241 A HA -0.239 4.080 4.320 -0.000 0.000 0.220 241 A C 2.288 179.881 177.584 0.015 0.000 1.164 241 A CA 1.888 53.933 52.037 0.013 0.000 0.643 241 A CB -0.376 18.628 19.000 0.007 0.000 0.806 241 A HN 0.538 nan 8.150 nan 0.000 0.451 242 K N -0.824 119.575 120.400 -0.000 0.000 2.186 242 K HA 0.132 4.452 4.320 -0.000 0.000 0.202 242 K C 1.921 178.536 176.600 0.025 0.000 1.052 242 K CA 0.769 57.058 56.287 0.004 0.000 0.965 242 K CB -0.118 32.376 32.500 -0.011 0.000 0.746 242 K HN 0.401 nan 8.250 nan 0.000 0.457 243 A N 0.774 123.617 122.820 0.038 0.000 2.235 243 A HA 0.110 4.430 4.320 -0.000 0.000 0.208 243 A C 1.185 178.846 177.584 0.127 0.000 1.172 243 A CA 0.771 52.873 52.037 0.107 0.000 0.786 243 A CB -0.611 18.506 19.000 0.195 0.000 0.804 243 A HN 0.398 nan 8.150 nan 0.000 0.479 244 G N -0.255 108.598 108.800 0.088 0.000 2.356 244 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.296 244 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.296 244 G C 0.061 175.014 174.900 0.089 0.000 1.022 244 G CA 1.026 46.169 45.100 0.072 0.000 0.961 244 G HN 0.615 nan 8.290 nan 0.000 0.510 245 K N 0.037 120.523 120.400 0.142 0.000 2.385 245 K HA 0.556 4.875 4.320 -0.000 0.000 0.248 245 K C -2.303 174.385 176.600 0.146 0.000 0.955 245 K CA -2.048 54.325 56.287 0.142 0.000 0.816 245 K CB 2.807 35.420 32.500 0.190 0.000 1.250 245 K HN 0.039 nan 8.250 nan 0.000 0.434 246 P HA 0.222 nan 4.420 nan 0.000 0.275 246 P C -1.241 176.130 177.300 0.118 0.000 1.266 246 P CA -0.578 62.570 63.100 0.081 0.000 0.793 246 P CB 0.636 32.359 31.700 0.038 0.000 1.074 247 L N 0.246 121.517 121.223 0.079 0.000 2.464 247 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 247 L C -1.708 175.175 176.870 0.021 0.000 0.965 247 L CA -0.880 54.012 54.840 0.086 0.000 0.833 247 L CB 1.749 43.860 42.059 0.086 0.000 1.296 247 L HN 0.137 nan 8.230 nan 0.000 0.405 248 L N 5.765 127.005 121.223 0.029 0.000 2.287 248 L HA 0.624 4.964 4.340 -0.000 0.000 0.287 248 L C -0.937 175.941 176.870 0.013 0.000 1.022 248 L CA -0.271 54.565 54.840 -0.006 0.000 0.814 248 L CB 1.183 43.247 42.059 0.009 0.000 1.217 248 L HN 0.475 nan 8.230 nan 0.000 0.420 249 I N 6.803 127.365 120.570 -0.013 0.000 2.331 249 I HA 0.275 4.444 4.170 -0.000 0.000 0.292 249 I C -0.056 176.082 176.117 0.035 0.000 0.998 249 I CA -0.150 61.157 61.300 0.012 0.000 1.267 249 I CB 1.001 39.004 38.000 0.006 0.000 1.386 249 I HN 0.549 nan 8.210 nan 0.000 0.476 250 I N 5.877 126.477 120.570 0.051 0.000 2.621 250 I HA 0.442 4.612 4.170 -0.000 0.000 0.276 250 I C 0.364 176.497 176.117 0.026 0.000 1.118 250 I CA -0.157 61.182 61.300 0.064 0.000 1.159 250 I CB 1.025 39.076 38.000 0.086 0.000 1.357 250 I HN 0.666 nan 8.210 nan 0.000 0.513 251 A N 3.338 126.177 122.820 0.030 0.000 2.312 251 A HA 0.445 4.765 4.320 -0.000 0.000 0.310 251 A C 1.165 178.762 177.584 0.022 0.000 1.139 251 A CA -0.451 51.598 52.037 0.020 0.000 0.886 251 A CB 1.068 20.085 19.000 0.027 0.000 1.350 251 A HN 0.658 nan 8.150 nan 0.000 0.479 252 E N -0.772 119.440 120.200 0.019 0.000 2.097 252 E HA -0.183 4.166 4.350 -0.000 0.000 0.196 252 E C -0.089 176.536 176.600 0.041 0.000 1.000 252 E CA 1.886 58.302 56.400 0.026 0.000 0.804 252 E CB 0.124 29.840 29.700 0.027 0.000 0.740 252 E HN 0.620 nan 8.360 nan 0.000 0.454 253 D N -2.206 118.221 120.400 0.045 0.000 2.725 253 D HA 0.250 4.890 4.640 -0.000 0.000 0.292 253 D C -1.912 174.425 176.300 0.061 0.000 1.288 253 D CA -0.524 53.510 54.000 0.057 0.000 0.784 253 D CB 1.970 42.802 40.800 0.053 0.000 1.308 253 D HN -0.104 nan 8.370 nan 0.000 0.429 254 V N 1.510 121.470 119.914 0.077 0.000 2.569 254 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 254 V C -0.452 175.694 176.094 0.086 0.000 1.044 254 V CA -0.647 61.703 62.300 0.083 0.000 0.874 254 V CB 1.825 33.711 31.823 0.104 0.000 1.002 254 V HN 0.424 nan 8.190 nan 0.000 0.424 255 E N 2.152 122.393 120.200 0.068 0.000 2.227 255 E HA 0.592 4.942 4.350 -0.000 0.000 0.268 255 E C 1.066 177.698 176.600 0.053 0.000 0.907 255 E CA 0.126 56.560 56.400 0.058 0.000 0.786 255 E CB 2.207 31.934 29.700 0.044 0.000 1.191 255 E HN 0.832 nan 8.360 nan 0.000 0.411 256 G N 2.987 111.815 108.800 0.047 0.000 2.928 256 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.329 256 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.329 256 G C 1.210 176.132 174.900 0.038 0.000 1.006 256 G CA 1.281 46.404 45.100 0.038 0.000 0.883 256 G HN 0.704 nan 8.290 nan 0.000 0.946 257 E N 1.086 121.305 120.200 0.031 0.000 2.028 257 E HA -0.251 4.099 4.350 -0.000 0.000 0.217 257 E C 3.025 179.646 176.600 0.036 0.000 1.039 257 E CA 2.442 58.859 56.400 0.028 0.000 0.882 257 E CB -0.850 28.864 29.700 0.024 0.000 0.794 257 E HN 0.793 nan 8.360 nan 0.000 0.488 258 A N 0.851 123.697 122.820 0.044 0.000 1.978 258 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 258 A C 2.235 179.867 177.584 0.080 0.000 1.170 258 A CA 1.658 53.729 52.037 0.055 0.000 0.636 258 A CB -0.633 18.399 19.000 0.055 0.000 0.810 258 A HN 0.370 nan 8.150 nan 0.000 0.448 259 L N -0.293 120.983 121.223 0.087 0.000 1.973 259 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 259 L C 2.685 179.600 176.870 0.076 0.000 1.073 259 L CA 2.355 57.266 54.840 0.118 0.000 0.746 259 L CB -0.933 41.194 42.059 0.113 0.000 0.891 259 L HN 0.300 nan 8.230 nan 0.000 0.433 260 A N -1.775 121.070 122.820 0.040 0.000 2.131 260 A HA -0.177 4.142 4.320 -0.000 0.000 0.220 260 A C 2.115 179.698 177.584 -0.001 0.000 1.158 260 A CA 2.100 54.141 52.037 0.007 0.000 0.665 260 A CB -1.120 17.884 19.000 0.006 0.000 0.795 260 A HN 0.611 nan 8.150 nan 0.000 0.460 261 T N 0.236 114.805 114.554 0.024 0.000 2.698 261 T HA -0.025 4.324 4.350 -0.000 0.000 0.260 261 T C 1.800 176.524 174.700 0.041 0.000 1.044 261 T CA 1.297 63.412 62.100 0.024 0.000 1.149 261 T CB -0.393 68.495 68.868 0.033 0.000 0.864 261 T HN 0.357 nan 8.240 nan 0.000 0.419 262 L N 1.118 122.396 121.223 0.091 0.000 2.127 262 L HA -0.102 4.237 4.340 -0.000 0.000 0.211 262 L C 2.629 179.586 176.870 0.146 0.000 1.089 262 L CA 0.641 55.575 54.840 0.157 0.000 0.757 262 L CB -0.734 41.477 42.059 0.254 0.000 0.899 262 L HN 0.140 nan 8.230 nan 0.000 0.434 263 V N -0.659 119.266 119.914 0.017 0.000 2.233 263 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 263 V C 2.245 178.264 176.094 -0.125 0.000 1.050 263 V CA 1.800 63.999 62.300 -0.169 0.000 1.010 263 V CB -0.365 31.341 31.823 -0.195 0.000 0.637 263 V HN 0.228 nan 8.190 nan 0.000 0.444 264 V N 0.252 120.107 119.914 -0.098 0.000 3.305 264 V HA -0.153 3.967 4.120 -0.000 0.000 0.269 264 V C 1.905 177.969 176.094 -0.050 0.000 1.157 264 V CA 1.616 63.855 62.300 -0.101 0.000 1.157 264 V CB -1.262 30.506 31.823 -0.092 0.000 0.772 264 V HN 0.593 nan 8.190 nan 0.000 0.498 265 N N 0.357 119.052 118.700 -0.008 0.000 2.416 265 N HA -0.101 4.639 4.740 -0.000 0.000 0.177 265 N C 1.906 177.435 175.510 0.032 0.000 1.036 265 N CA 1.367 54.428 53.050 0.019 0.000 0.901 265 N CB 0.245 38.759 38.487 0.045 0.000 0.976 265 N HN 0.653 nan 8.380 nan 0.000 0.444 266 T N -2.287 112.295 114.554 0.046 0.000 3.022 266 T HA 0.124 4.473 4.350 -0.000 0.000 0.250 266 T C 1.661 176.366 174.700 0.007 0.000 1.060 266 T CA -0.110 62.026 62.100 0.061 0.000 1.013 266 T CB 0.149 69.112 68.868 0.160 0.000 0.982 266 T HN -0.085 nan 8.240 nan 0.000 0.508 267 M N 2.214 121.786 119.600 -0.046 0.000 2.067 267 M HA 0.143 4.623 4.480 -0.000 0.000 0.260 267 M C 2.106 178.368 176.300 -0.063 0.000 1.069 267 M CA 1.676 56.922 55.300 -0.091 0.000 1.117 267 M CB -0.176 32.324 32.600 -0.166 0.000 1.334 267 M HN 0.185 nan 8.290 nan 0.000 0.407 268 R N -0.423 120.047 120.500 -0.050 0.000 2.310 268 R HA 0.351 4.691 4.340 -0.000 0.000 0.202 268 R C 0.838 177.127 176.300 -0.018 0.000 0.933 268 R CA 0.539 56.617 56.100 -0.036 0.000 1.054 268 R CB -0.509 29.770 30.300 -0.035 0.000 0.985 268 R HN 0.545 nan 8.270 nan 0.000 0.489 269 G N 1.777 110.573 108.800 -0.007 0.000 2.314 269 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 269 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 269 G C 0.515 175.421 174.900 0.010 0.000 1.059 269 G CA 0.266 45.370 45.100 0.008 0.000 0.982 269 G HN 0.374 nan 8.290 nan 0.000 0.505 270 I N -1.357 119.220 120.570 0.012 0.000 2.296 270 I HA 0.063 4.232 4.170 -0.000 0.000 0.242 270 I C 0.900 177.030 176.117 0.022 0.000 1.087 270 I CA 1.103 62.410 61.300 0.013 0.000 1.393 270 I CB 0.013 38.018 38.000 0.008 0.000 1.093 270 I HN 0.135 nan 8.210 nan 0.000 0.421 271 V N 0.861 120.795 119.914 0.032 0.000 2.525 271 V HA 0.307 4.426 4.120 -0.000 0.000 0.299 271 V C -0.648 175.481 176.094 0.057 0.000 1.034 271 V CA -1.151 61.174 62.300 0.042 0.000 0.863 271 V CB 1.407 33.254 31.823 0.040 0.000 0.999 271 V HN 0.057 nan 8.190 nan 0.000 0.423 272 K N 2.915 123.349 120.400 0.057 0.000 2.383 272 K HA 0.606 4.926 4.320 -0.000 0.000 0.286 272 K C -0.581 176.059 176.600 0.067 0.000 1.051 272 K CA 0.222 56.551 56.287 0.070 0.000 0.974 272 K CB 1.023 33.556 32.500 0.055 0.000 0.968 272 K HN 0.570 nan 8.250 nan 0.000 0.475 273 V N 1.235 121.201 119.914 0.088 0.000 3.114 273 V HA 0.849 4.969 4.120 -0.000 0.000 0.308 273 V C -1.139 174.876 176.094 -0.133 0.000 1.168 273 V CA -1.038 61.276 62.300 0.023 0.000 1.015 273 V CB 2.204 34.065 31.823 0.064 0.000 1.050 273 V HN 0.801 nan 8.190 nan 0.000 0.433 274 A N 1.703 124.303 122.820 -0.367 0.000 2.574 274 A HA 1.023 5.343 4.320 -0.000 0.000 0.297 274 A C -0.928 176.289 177.584 -0.611 0.000 1.062 274 A CA -0.091 51.372 52.037 -0.957 0.000 0.686 274 A CB 1.976 20.611 19.000 -0.608 0.000 1.285 274 A HN 1.888 nan 8.150 nan 0.000 0.403 275 A N 0.502 122.895 122.820 -0.712 0.000 2.414 275 A HA 0.864 5.183 4.320 -0.000 0.000 0.306 275 A C -0.602 176.952 177.584 -0.050 0.000 1.054 275 A CA -0.096 51.816 52.037 -0.209 0.000 0.724 275 A CB 1.441 20.406 19.000 -0.058 0.000 1.267 275 A HN 2.312 nan 8.150 nan 0.000 0.418 276 V N -0.622 119.315 119.914 0.037 0.000 2.888 276 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 276 V C -0.407 175.766 176.094 0.131 0.000 1.114 276 V CA -1.260 61.104 62.300 0.107 0.000 0.940 276 V CB 1.375 33.271 31.823 0.123 0.000 1.021 276 V HN 0.892 nan 8.190 nan 0.000 0.426 277 K N 2.101 122.579 120.400 0.129 0.000 2.440 277 K HA 0.517 4.837 4.320 -0.000 0.000 0.270 277 K C 0.581 177.244 176.600 0.104 0.000 0.980 277 K CA 0.526 56.876 56.287 0.104 0.000 0.953 277 K CB 0.724 33.280 32.500 0.093 0.000 0.925 277 K HN 1.127 nan 8.250 nan 0.000 0.497 278 A N 3.591 126.424 122.820 0.022 0.000 2.332 278 A HA 0.292 4.612 4.320 -0.000 0.000 0.258 278 A C -2.112 175.396 177.584 -0.127 0.000 1.087 278 A CA -1.270 50.704 52.037 -0.105 0.000 0.802 278 A CB -0.205 18.733 19.000 -0.102 0.000 1.042 278 A HN 0.481 nan 8.150 nan 0.000 0.489 279 P HA 0.382 nan 4.420 nan 0.000 0.275 279 P C 0.564 177.816 177.300 -0.080 0.000 1.227 279 P CA 1.403 64.375 63.100 -0.212 0.000 0.781 279 P CB 0.540 31.971 31.700 -0.448 0.000 0.906 280 G N 2.262 111.084 108.800 0.037 0.000 2.915 280 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.337 280 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.337 280 G C -0.835 174.157 174.900 0.153 0.000 1.477 280 G CA -0.169 44.979 45.100 0.080 0.000 0.916 280 G HN 0.689 nan 8.290 nan 0.000 0.550 281 F N -1.117 118.835 119.950 0.004 0.000 2.576 281 F HA 0.822 5.349 4.527 -0.001 0.000 0.313 281 F C 0.996 176.803 175.800 0.010 0.000 1.078 281 F CA 0.041 58.045 58.000 0.007 0.000 0.921 281 F CB 1.349 40.358 39.000 0.015 0.000 1.232 281 F HN 2.352 nan 8.300 nan 0.000 0.459 282 G N 2.313 111.173 108.800 0.099 0.000 2.536 282 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.277 282 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.277 282 G C 0.355 175.225 174.900 -0.049 0.000 1.155 282 G CA 0.649 45.769 45.100 0.033 0.000 0.960 282 G HN 0.727 nan 8.290 nan 0.000 0.544 283 D N 1.279 121.629 120.400 -0.083 0.000 2.084 283 D HA -0.029 4.611 4.640 -0.000 0.000 0.196 283 D C 2.538 178.779 176.300 -0.098 0.000 0.985 283 D CA 1.720 55.677 54.000 -0.073 0.000 0.826 283 D CB -0.343 40.423 40.800 -0.057 0.000 0.978 283 D HN 0.682 nan 8.370 nan 0.000 0.456 284 R N 0.784 121.191 120.500 -0.156 0.000 2.339 284 R HA 0.117 4.456 4.340 -0.000 0.000 0.199 284 R C 2.008 178.226 176.300 -0.137 0.000 1.018 284 R CA 0.293 56.305 56.100 -0.147 0.000 1.036 284 R CB -0.242 29.957 30.300 -0.169 0.000 0.899 284 R HN 0.109 nan 8.270 nan 0.000 0.473 285 R N 2.296 122.721 120.500 -0.126 0.000 2.066 285 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 285 R C 1.289 177.540 176.300 -0.081 0.000 1.131 285 R CA 1.521 57.565 56.100 -0.093 0.000 0.955 285 R CB 0.011 30.283 30.300 -0.047 0.000 0.851 285 R HN 0.180 nan 8.270 nan 0.000 0.432 286 K N 0.224 120.586 120.400 -0.063 0.000 2.097 286 K HA -0.044 4.276 4.320 -0.000 0.000 0.205 286 K C 2.161 178.728 176.600 -0.056 0.000 1.050 286 K CA 1.314 57.570 56.287 -0.051 0.000 0.938 286 K CB -0.142 32.337 32.500 -0.036 0.000 0.718 286 K HN 0.251 nan 8.250 nan 0.000 0.442 287 A N 1.404 124.188 122.820 -0.061 0.000 1.883 287 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 287 A C 2.147 179.689 177.584 -0.070 0.000 1.186 287 A CA 1.577 53.578 52.037 -0.059 0.000 0.624 287 A CB -0.460 18.503 19.000 -0.061 0.000 0.822 287 A HN 0.179 nan 8.150 nan 0.000 0.444 288 M N -1.068 118.479 119.600 -0.090 0.000 2.229 288 M HA -0.030 4.450 4.480 -0.000 0.000 0.264 288 M C 2.237 178.460 176.300 -0.129 0.000 1.063 288 M CA 1.090 56.324 55.300 -0.110 0.000 1.114 288 M CB -0.350 32.168 32.600 -0.136 0.000 1.387 288 M HN 0.484 nan 8.290 nan 0.000 0.420 289 L N -0.029 121.122 121.223 -0.121 0.000 2.072 289 L HA -0.226 4.114 4.340 -0.000 0.000 0.205 289 L C 2.576 179.403 176.870 -0.073 0.000 1.079 289 L CA 1.269 56.039 54.840 -0.115 0.000 0.752 289 L CB -0.266 41.739 42.059 -0.090 0.000 0.906 289 L HN 0.268 nan 8.230 nan 0.000 0.436 290 Q N 0.300 120.066 119.800 -0.057 0.000 2.181 290 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 290 Q C 1.583 177.563 176.000 -0.033 0.000 0.980 290 Q CA 1.943 57.723 55.803 -0.038 0.000 0.862 290 Q CB -0.239 28.479 28.738 -0.033 0.000 0.905 290 Q HN 0.454 nan 8.270 nan 0.000 0.429 291 D N -0.722 119.652 120.400 -0.043 0.000 2.144 291 D HA -0.077 4.562 4.640 -0.000 0.000 0.200 291 D C 1.723 178.012 176.300 -0.018 0.000 0.978 291 D CA 0.963 54.945 54.000 -0.031 0.000 0.833 291 D CB -0.056 40.721 40.800 -0.037 0.000 0.961 291 D HN 0.374 nan 8.370 nan 0.000 0.470 292 I N 0.687 121.240 120.570 -0.027 0.000 2.439 292 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 292 I C 2.386 178.508 176.117 0.009 0.000 1.139 292 I CA 0.526 61.826 61.300 0.001 0.000 1.438 292 I CB -0.252 37.743 38.000 -0.009 0.000 1.085 292 I HN -0.085 nan 8.210 nan 0.000 0.427 293 A N 1.449 124.267 122.820 -0.003 0.000 1.841 293 A HA -0.247 4.072 4.320 -0.000 0.000 0.216 293 A C 2.414 180.002 177.584 0.007 0.000 1.199 293 A CA 2.853 54.893 52.037 0.004 0.000 0.621 293 A CB -1.350 17.648 19.000 -0.003 0.000 0.835 293 A HN 0.398 nan 8.150 nan 0.000 0.445 294 T N 0.464 115.018 114.554 0.001 0.000 2.721 294 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 294 T C 1.777 176.480 174.700 0.006 0.000 1.038 294 T CA 1.431 63.532 62.100 0.002 0.000 1.145 294 T CB -0.384 68.481 68.868 -0.004 0.000 0.858 294 T HN 0.293 nan 8.240 nan 0.000 0.459 295 L N 1.619 122.848 121.223 0.009 0.000 2.093 295 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 295 L C 2.304 179.182 176.870 0.014 0.000 1.085 295 L CA 2.163 57.011 54.840 0.013 0.000 0.755 295 L CB -1.028 41.044 42.059 0.022 0.000 0.904 295 L HN 0.498 nan 8.230 nan 0.000 0.435 296 T N -4.375 110.190 114.554 0.019 0.000 3.092 296 T HA 0.240 4.589 4.350 -0.000 0.000 0.258 296 T C 1.209 175.922 174.700 0.023 0.000 1.031 296 T CA 0.290 62.401 62.100 0.020 0.000 0.925 296 T CB 0.001 68.887 68.868 0.030 0.000 1.036 296 T HN 0.459 nan 8.240 nan 0.000 0.544 297 G N 0.891 109.703 108.800 0.019 0.000 2.341 297 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.292 297 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.292 297 G C 0.418 175.336 174.900 0.031 0.000 1.021 297 G CA -0.070 45.042 45.100 0.021 0.000 0.905 297 G HN 1.035 nan 8.290 nan 0.000 0.508 298 G N -1.420 107.399 108.800 0.032 0.000 2.502 298 G HA2 0.674 4.634 3.960 -0.000 0.000 0.305 298 G HA3 0.674 4.634 3.960 -0.000 0.000 0.305 298 G C -0.100 174.814 174.900 0.023 0.000 1.190 298 G CA 0.167 45.290 45.100 0.037 0.000 0.933 298 G HN 0.501 nan 8.290 nan 0.000 0.503 299 T N 0.278 114.845 114.554 0.021 0.000 2.794 299 T HA 0.401 4.750 4.350 -0.000 0.000 0.280 299 T C 0.110 174.815 174.700 0.007 0.000 0.987 299 T CA -0.290 61.817 62.100 0.011 0.000 0.993 299 T CB 1.685 70.558 68.868 0.009 0.000 0.939 299 T HN 0.274 nan 8.240 nan 0.000 0.449 300 V N 4.757 124.671 119.914 0.001 0.000 2.488 300 V HA 0.270 4.390 4.120 -0.000 0.000 0.277 300 V C 0.446 176.538 176.094 -0.003 0.000 1.046 300 V CA -0.457 61.841 62.300 -0.003 0.000 0.986 300 V CB 0.632 32.448 31.823 -0.011 0.000 0.989 300 V HN 0.785 nan 8.190 nan 0.000 0.475 301 I N 5.112 125.681 120.570 -0.001 0.000 2.268 301 I HA 0.191 4.360 4.170 -0.000 0.000 0.290 301 I C 0.321 176.437 176.117 -0.002 0.000 1.125 301 I CA 0.080 61.380 61.300 -0.001 0.000 1.236 301 I CB 0.342 38.342 38.000 0.001 0.000 1.469 301 I HN 0.614 nan 8.210 nan 0.000 0.512 302 S N 3.598 119.296 115.700 -0.003 0.000 2.430 302 S HA 0.248 4.718 4.470 -0.000 0.000 0.289 302 S C 0.901 175.500 174.600 -0.001 0.000 1.143 302 S CA -0.815 57.383 58.200 -0.003 0.000 1.067 302 S CB 1.806 65.002 63.200 -0.006 0.000 0.964 302 S HN 0.532 nan 8.310 nan 0.000 0.485 303 E N 2.046 122.247 120.200 0.001 0.000 2.273 303 E HA -0.202 4.147 4.350 -0.000 0.000 0.198 303 E C 0.743 177.344 176.600 0.002 0.000 1.002 303 E CA 1.139 57.541 56.400 0.002 0.000 0.828 303 E CB 0.004 29.707 29.700 0.004 0.000 0.747 303 E HN 0.796 nan 8.360 nan 0.000 0.491 304 E N -0.434 119.767 120.200 0.001 0.000 2.512 304 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 304 E C 1.111 177.711 176.600 -0.001 0.000 1.083 304 E CA 0.265 56.665 56.400 0.000 0.000 0.873 304 E CB 0.211 29.911 29.700 -0.001 0.000 0.897 304 E HN 0.337 nan 8.360 nan 0.000 0.514 305 I N -1.323 119.246 120.570 -0.001 0.000 4.439 305 I HA 0.269 4.438 4.170 -0.000 0.000 0.331 305 I C 1.013 177.129 176.117 -0.001 0.000 1.345 305 I CA -0.109 61.190 61.300 -0.002 0.000 1.193 305 I CB 1.236 39.235 38.000 -0.003 0.000 1.221 305 I HN 0.107 nan 8.210 nan 0.000 0.429 306 G N 2.364 111.164 108.800 -0.000 0.000 2.167 306 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.194 306 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.194 306 G C -0.083 174.816 174.900 -0.001 0.000 1.027 306 G CA -0.375 44.725 45.100 -0.000 0.000 0.717 306 G HN 0.256 nan 8.290 nan 0.000 0.501 307 M N 0.545 120.145 119.600 -0.001 0.000 2.125 307 M HA 0.623 5.103 4.480 -0.000 0.000 0.321 307 M C -0.030 176.270 176.300 -0.001 0.000 0.983 307 M CA -0.688 54.612 55.300 -0.001 0.000 0.934 307 M CB 1.551 34.150 32.600 -0.002 0.000 1.542 307 M HN 0.166 nan 8.290 nan 0.000 0.424 308 E N 2.247 122.446 120.200 -0.001 0.000 2.312 308 E HA 0.314 4.663 4.350 -0.000 0.000 0.259 308 E C 0.333 176.932 176.600 -0.002 0.000 1.122 308 E CA -0.599 55.801 56.400 -0.000 0.000 0.922 308 E CB 1.397 31.096 29.700 -0.000 0.000 1.109 308 E HN 0.699 nan 8.360 nan 0.000 0.442 309 L N 0.967 122.189 121.223 -0.000 0.000 2.478 309 L HA -0.068 4.271 4.340 -0.000 0.000 0.223 309 L C 1.513 178.379 176.870 -0.006 0.000 1.140 309 L CA 0.631 55.470 54.840 -0.003 0.000 0.842 309 L CB -0.331 41.728 42.059 0.001 0.000 0.953 309 L HN 0.513 nan 8.230 nan 0.000 0.452 310 E N 0.996 121.193 120.200 -0.005 0.000 2.204 310 E HA -0.120 4.229 4.350 -0.000 0.000 0.194 310 E C 0.360 176.954 176.600 -0.010 0.000 0.989 310 E CA 0.909 57.304 56.400 -0.007 0.000 0.824 310 E CB 0.045 29.742 29.700 -0.004 0.000 0.756 310 E HN 0.353 nan 8.360 nan 0.000 0.477 311 K N 0.521 120.915 120.400 -0.009 0.000 2.457 311 K HA 0.568 4.887 4.320 -0.000 0.000 0.226 311 K C -1.054 175.538 176.600 -0.013 0.000 1.114 311 K CA -0.222 56.058 56.287 -0.011 0.000 1.089 311 K CB 1.461 33.957 32.500 -0.008 0.000 1.739 311 K HN -0.046 nan 8.250 nan 0.000 0.473 312 A N 1.249 124.058 122.820 -0.020 0.000 2.497 312 A HA 0.422 4.742 4.320 -0.000 0.000 0.280 312 A C -0.187 177.373 177.584 -0.041 0.000 1.065 312 A CA -0.793 51.229 52.037 -0.025 0.000 0.781 312 A CB 0.588 19.576 19.000 -0.021 0.000 1.289 312 A HN 0.404 nan 8.150 nan 0.000 0.415 313 T N 0.149 114.676 114.554 -0.045 0.000 2.897 313 T HA 0.567 4.916 4.350 -0.000 0.000 0.278 313 T C 1.442 176.087 174.700 -0.091 0.000 0.981 313 T CA -0.664 61.395 62.100 -0.068 0.000 0.973 313 T CB 0.462 69.298 68.868 -0.054 0.000 1.092 313 T HN 0.362 nan 8.240 nan 0.000 0.543 314 L N 0.053 121.188 121.223 -0.147 0.000 2.051 314 L HA -0.183 4.157 4.340 -0.000 0.000 0.214 314 L C 2.966 179.787 176.870 -0.081 0.000 1.076 314 L CA 1.940 56.642 54.840 -0.231 0.000 0.758 314 L CB -0.721 41.144 42.059 -0.324 0.000 0.890 314 L HN 0.872 nan 8.230 nan 0.000 0.433 315 E N -0.184 119.997 120.200 -0.032 0.000 2.339 315 E HA -0.271 4.078 4.350 -0.000 0.000 0.201 315 E C 1.376 177.988 176.600 0.020 0.000 1.015 315 E CA 1.324 57.731 56.400 0.012 0.000 0.841 315 E CB 0.096 29.798 29.700 0.003 0.000 0.754 315 E HN 0.518 nan 8.360 nan 0.000 0.508 316 D N -0.505 119.897 120.400 0.004 0.000 2.216 316 D HA -0.033 4.606 4.640 -0.000 0.000 0.208 316 D C 0.161 176.481 176.300 0.033 0.000 0.960 316 D CA 0.136 54.143 54.000 0.012 0.000 0.861 316 D CB 0.106 40.904 40.800 -0.003 0.000 0.985 316 D HN 0.090 nan 8.370 nan 0.000 0.493 317 L N 1.526 122.774 121.223 0.042 0.000 2.490 317 L HA 0.213 4.552 4.340 -0.000 0.000 0.274 317 L C 1.515 178.471 176.870 0.143 0.000 1.201 317 L CA 0.140 55.036 54.840 0.093 0.000 0.869 317 L CB 0.237 42.363 42.059 0.111 0.000 1.123 317 L HN -0.126 nan 8.230 nan 0.000 0.484 318 G N 2.406 111.275 108.800 0.114 0.000 2.611 318 G HA2 0.387 4.347 3.960 -0.000 0.000 0.273 318 G HA3 0.387 4.347 3.960 -0.000 0.000 0.273 318 G C -0.718 174.245 174.900 0.106 0.000 1.305 318 G CA -0.243 44.912 45.100 0.093 0.000 1.010 318 G HN 0.599 nan 8.290 nan 0.000 0.509 319 Q N -1.703 118.118 119.800 0.035 0.000 2.327 319 Q HA 0.536 4.876 4.340 -0.000 0.000 0.265 319 Q C -1.219 174.747 176.000 -0.055 0.000 0.993 319 Q CA -0.656 55.117 55.803 -0.050 0.000 0.885 319 Q CB 1.916 30.589 28.738 -0.108 0.000 1.379 319 Q HN 0.960 nan 8.270 nan 0.000 0.408 320 A N 2.596 125.371 122.820 -0.076 0.000 2.556 320 A HA 0.480 4.800 4.320 -0.000 0.000 0.294 320 A C -0.495 177.043 177.584 -0.075 0.000 1.091 320 A CA -0.608 51.396 52.037 -0.056 0.000 0.704 320 A CB 1.764 20.748 19.000 -0.027 0.000 1.300 320 A HN 0.790 nan 8.150 nan 0.000 0.406 321 K N -0.634 119.730 120.400 -0.060 0.000 2.432 321 K HA 0.105 4.424 4.320 -0.000 0.000 0.196 321 K C 0.404 176.971 176.600 -0.054 0.000 1.038 321 K CA 0.921 57.170 56.287 -0.062 0.000 0.986 321 K CB 0.114 32.584 32.500 -0.049 0.000 0.782 321 K HN 0.556 nan 8.250 nan 0.000 0.485 322 R N -0.751 119.721 120.500 -0.048 0.000 2.687 322 R HA 0.204 4.544 4.340 -0.000 0.000 0.265 322 R C -2.012 174.264 176.300 -0.039 0.000 1.048 322 R CA -0.631 55.444 56.100 -0.041 0.000 0.884 322 R CB 1.963 32.241 30.300 -0.036 0.000 1.258 322 R HN -0.078 nan 8.270 nan 0.000 0.469 323 V N -0.663 119.228 119.914 -0.038 0.000 2.932 323 V HA 0.808 4.928 4.120 -0.000 0.000 0.307 323 V C -1.303 174.764 176.094 -0.044 0.000 1.147 323 V CA -0.803 61.470 62.300 -0.045 0.000 0.951 323 V CB 2.148 33.947 31.823 -0.041 0.000 1.031 323 V HN 0.404 nan 8.190 nan 0.000 0.426 324 V N 5.454 125.333 119.914 -0.058 0.000 2.525 324 V HA 0.615 4.735 4.120 -0.000 0.000 0.299 324 V C -0.300 175.761 176.094 -0.055 0.000 1.034 324 V CA -0.358 61.917 62.300 -0.042 0.000 0.863 324 V CB 1.700 33.499 31.823 -0.041 0.000 0.999 324 V HN 0.981 nan 8.190 nan 0.000 0.423 325 I N 1.577 122.142 120.570 -0.008 0.000 2.646 325 I HA 0.742 4.911 4.170 -0.000 0.000 0.299 325 I C -0.821 175.347 176.117 0.086 0.000 1.036 325 I CA -0.577 60.725 61.300 0.003 0.000 1.074 325 I CB 2.404 40.416 38.000 0.021 0.000 1.258 325 I HN 0.406 nan 8.210 nan 0.000 0.430 326 N N 3.118 121.811 118.700 -0.011 0.000 2.741 326 N HA 0.316 5.056 4.740 -0.000 0.000 0.310 326 N C 0.657 175.922 175.510 -0.409 0.000 1.295 326 N CA -0.789 52.237 53.050 -0.040 0.000 0.893 326 N CB 1.277 39.716 38.487 -0.080 0.000 1.247 326 N HN 0.663 nan 8.380 nan 0.000 0.596 327 K N -0.050 120.101 120.400 -0.415 0.000 2.097 327 K HA -0.243 4.077 4.320 -0.000 0.000 0.214 327 K C -0.420 175.882 176.600 -0.496 0.000 1.052 327 K CA 2.626 58.541 56.287 -0.620 0.000 0.932 327 K CB -0.013 32.370 32.500 -0.195 0.000 0.716 327 K HN 0.702 nan 8.250 nan 0.000 0.455 328 D N -2.203 118.034 120.400 -0.272 0.000 2.615 328 D HA 0.091 4.730 4.640 -0.000 0.000 0.274 328 D C -0.958 175.271 176.300 -0.118 0.000 1.512 328 D CA -0.425 53.475 54.000 -0.167 0.000 0.803 328 D CB 0.812 41.552 40.800 -0.100 0.000 1.182 328 D HN -0.070 nan 8.370 nan 0.000 0.473 329 T N -0.240 114.228 114.554 -0.143 0.000 2.916 329 T HA 0.634 4.984 4.350 -0.000 0.000 0.298 329 T C -0.665 173.895 174.700 -0.233 0.000 1.031 329 T CA -0.572 61.434 62.100 -0.157 0.000 0.993 329 T CB 2.138 70.935 68.868 -0.118 0.000 1.045 329 T HN -0.144 nan 8.240 nan 0.000 0.454 330 T N 2.422 116.718 114.554 -0.429 0.000 2.779 330 T HA 0.666 5.016 4.350 -0.000 0.000 0.280 330 T C -0.240 174.108 174.700 -0.586 0.000 0.987 330 T CA -0.576 61.176 62.100 -0.580 0.000 0.966 330 T CB 1.358 69.657 68.868 -0.949 0.000 0.933 330 T HN 0.730 nan 8.240 nan 0.000 0.442 331 T N 3.372 117.734 114.554 -0.320 0.000 2.881 331 T HA 0.640 4.989 4.350 -0.000 0.000 0.291 331 T C -0.832 173.791 174.700 -0.127 0.000 0.990 331 T CA -0.697 61.278 62.100 -0.209 0.000 0.976 331 T CB 0.243 69.028 68.868 -0.138 0.000 0.970 331 T HN 0.480 nan 8.240 nan 0.000 0.438 332 I N 5.966 126.488 120.570 -0.080 0.000 2.328 332 I HA 0.445 4.615 4.170 -0.000 0.000 0.287 332 I C -0.351 175.753 176.117 -0.021 0.000 1.012 332 I CA -0.818 60.464 61.300 -0.030 0.000 1.195 332 I CB 1.253 39.270 38.000 0.028 0.000 1.350 332 I HN 0.591 nan 8.210 nan 0.000 0.464 333 I N 6.117 126.670 120.570 -0.028 0.000 2.339 333 I HA 0.264 4.433 4.170 -0.000 0.000 0.290 333 I C -0.454 175.648 176.117 -0.024 0.000 0.994 333 I CA -0.434 60.850 61.300 -0.027 0.000 1.191 333 I CB 1.136 39.116 38.000 -0.033 0.000 1.343 333 I HN 0.554 nan 8.210 nan 0.000 0.458 334 D N 5.151 125.540 120.400 -0.019 0.000 4.044 334 D HA -0.116 4.523 4.640 -0.000 0.000 0.242 334 D C -0.071 176.216 176.300 -0.021 0.000 1.076 334 D CA 0.821 54.809 54.000 -0.020 0.000 1.171 334 D CB -0.193 40.592 40.800 -0.025 0.000 0.866 334 D HN 0.812 nan 8.370 nan 0.000 0.413 335 G N 1.342 110.135 108.800 -0.012 0.000 2.356 335 G HA2 0.460 4.420 3.960 -0.000 0.000 0.298 335 G HA3 0.460 4.420 3.960 -0.000 0.000 0.298 335 G C 1.402 176.295 174.900 -0.012 0.000 1.145 335 G CA -0.321 44.774 45.100 -0.009 0.000 0.850 335 G HN 0.351 nan 8.290 nan 0.000 0.487 336 V N 2.682 122.586 119.914 -0.017 0.000 2.759 336 V HA 0.006 4.126 4.120 -0.000 0.000 0.256 336 V C 2.161 178.252 176.094 -0.004 0.000 1.080 336 V CA 0.857 63.148 62.300 -0.015 0.000 1.101 336 V CB -1.280 30.529 31.823 -0.024 0.000 0.698 336 V HN 0.794 nan 8.190 nan 0.000 0.477 337 G N 1.298 110.099 108.800 0.001 0.000 2.178 337 G HA2 0.022 3.982 3.960 -0.000 0.000 0.244 337 G HA3 0.022 3.982 3.960 -0.000 0.000 0.244 337 G C 0.000 174.901 174.900 0.002 0.000 1.213 337 G CA -0.079 45.025 45.100 0.005 0.000 0.912 337 G HN 0.548 nan 8.290 nan 0.000 0.474 338 E N 1.632 121.833 120.200 0.002 0.000 2.374 338 E HA 0.067 4.416 4.350 -0.000 0.000 0.260 338 E C 0.832 177.431 176.600 -0.000 0.000 1.101 338 E CA -0.453 55.948 56.400 0.000 0.000 0.907 338 E CB 1.211 30.912 29.700 0.001 0.000 1.014 338 E HN 0.611 nan 8.360 nan 0.000 0.427 339 E N 1.070 121.269 120.200 -0.002 0.000 2.204 339 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 339 E C 1.855 178.454 176.600 -0.002 0.000 0.989 339 E CA 0.757 57.155 56.400 -0.002 0.000 0.824 339 E CB -0.072 29.627 29.700 -0.003 0.000 0.756 339 E HN 0.579 nan 8.360 nan 0.000 0.477 340 A N 2.059 124.879 122.820 -0.002 0.000 1.884 340 A HA -0.231 4.088 4.320 -0.000 0.000 0.219 340 A C 2.453 180.035 177.584 -0.002 0.000 1.197 340 A CA 2.349 54.385 52.037 -0.002 0.000 0.637 340 A CB -0.645 18.355 19.000 -0.001 0.000 0.827 340 A HN 0.312 nan 8.150 nan 0.000 0.450 341 A N -0.631 122.189 122.820 -0.001 0.000 1.874 341 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 341 A C 2.147 179.730 177.584 -0.002 0.000 1.189 341 A CA 1.325 53.361 52.037 -0.001 0.000 0.615 341 A CB -0.571 18.430 19.000 0.000 0.000 0.830 341 A HN 0.466 nan 8.150 nan 0.000 0.443 342 I N -0.713 119.856 120.570 -0.002 0.000 2.226 342 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 342 I C 2.775 178.889 176.117 -0.004 0.000 1.100 342 I CA 1.362 62.661 61.300 -0.002 0.000 1.374 342 I CB -0.208 37.792 38.000 -0.001 0.000 1.057 342 I HN 0.261 nan 8.210 nan 0.000 0.413 343 Q N 0.849 120.647 119.800 -0.004 0.000 2.046 343 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 343 Q C 2.271 178.267 176.000 -0.006 0.000 0.975 343 Q CA 1.873 57.673 55.803 -0.005 0.000 0.836 343 Q CB -1.058 27.678 28.738 -0.004 0.000 0.896 343 Q HN 0.525 nan 8.270 nan 0.000 0.428 344 G N 0.112 108.909 108.800 -0.005 0.000 2.469 344 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 344 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 344 G C 1.634 176.529 174.900 -0.007 0.000 1.150 344 G CA 1.180 46.277 45.100 -0.006 0.000 0.763 344 G HN 0.324 nan 8.290 nan 0.000 0.561 345 R N -0.011 120.484 120.500 -0.008 0.000 2.092 345 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 345 R C 2.607 178.900 176.300 -0.012 0.000 1.119 345 R CA 1.274 57.368 56.100 -0.010 0.000 0.970 345 R CB -0.590 29.704 30.300 -0.010 0.000 0.864 345 R HN 0.234 nan 8.270 nan 0.000 0.440 346 V N 0.693 120.601 119.914 -0.010 0.000 2.343 346 V HA -0.180 3.939 4.120 -0.000 0.000 0.247 346 V C 2.345 178.432 176.094 -0.011 0.000 1.051 346 V CA 1.853 64.147 62.300 -0.011 0.000 1.036 346 V CB -0.924 30.894 31.823 -0.009 0.000 0.654 346 V HN 0.519 nan 8.190 nan 0.000 0.451 347 A N -0.848 121.966 122.820 -0.010 0.000 1.933 347 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 347 A C 2.210 179.788 177.584 -0.010 0.000 1.175 347 A CA 1.855 53.886 52.037 -0.009 0.000 0.628 347 A CB -0.410 18.585 19.000 -0.007 0.000 0.814 347 A HN 0.625 nan 8.150 nan 0.000 0.444 348 Q N -0.468 119.326 119.800 -0.011 0.000 1.993 348 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 348 Q C 2.097 178.088 176.000 -0.015 0.000 0.984 348 Q CA 1.670 57.465 55.803 -0.012 0.000 0.837 348 Q CB -0.317 28.413 28.738 -0.013 0.000 0.902 348 Q HN 0.723 nan 8.270 nan 0.000 0.423 349 I N 0.258 120.817 120.570 -0.018 0.000 2.264 349 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 349 I C 2.486 178.591 176.117 -0.020 0.000 1.111 349 I CA 0.914 62.201 61.300 -0.022 0.000 1.382 349 I CB -0.269 37.716 38.000 -0.024 0.000 1.060 349 I HN 0.161 nan 8.210 nan 0.000 0.418 350 R N 0.973 121.463 120.500 -0.017 0.000 2.115 350 R HA -0.256 4.083 4.340 -0.000 0.000 0.239 350 R C 2.362 178.653 176.300 -0.015 0.000 1.133 350 R CA 2.018 58.108 56.100 -0.015 0.000 0.935 350 R CB -0.386 29.907 30.300 -0.012 0.000 0.853 350 R HN 0.377 nan 8.270 nan 0.000 0.433 351 Q N -0.386 119.406 119.800 -0.013 0.000 2.181 351 Q HA -0.221 4.119 4.340 -0.000 0.000 0.205 351 Q C 2.106 178.098 176.000 -0.013 0.000 0.980 351 Q CA 1.603 57.400 55.803 -0.011 0.000 0.862 351 Q CB 0.001 28.733 28.738 -0.010 0.000 0.905 351 Q HN 0.535 nan 8.270 nan 0.000 0.429 352 Q N 0.060 119.851 119.800 -0.016 0.000 2.226 352 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 352 Q C 2.015 178.004 176.000 -0.018 0.000 0.975 352 Q CA 0.979 56.772 55.803 -0.017 0.000 0.866 352 Q CB -0.197 28.528 28.738 -0.022 0.000 0.915 352 Q HN 0.507 nan 8.270 nan 0.000 0.440 353 I N 1.201 121.760 120.570 -0.019 0.000 2.493 353 I HA -0.220 3.949 4.170 -0.000 0.000 0.254 353 I C 1.965 178.075 176.117 -0.013 0.000 1.160 353 I CA 0.771 62.060 61.300 -0.019 0.000 1.445 353 I CB -0.269 37.718 38.000 -0.021 0.000 1.086 353 I HN 0.063 nan 8.210 nan 0.000 0.433 354 E N 1.527 121.721 120.200 -0.011 0.000 2.072 354 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 354 E C 1.195 177.792 176.600 -0.006 0.000 0.982 354 E CA 1.035 57.430 56.400 -0.007 0.000 0.803 354 E CB -0.496 29.200 29.700 -0.007 0.000 0.755 354 E HN 0.609 nan 8.360 nan 0.000 0.453 355 E N 1.080 121.276 120.200 -0.007 0.000 2.303 355 E HA 0.345 4.695 4.350 -0.000 0.000 0.211 355 E C -0.326 176.272 176.600 -0.004 0.000 1.223 355 E CA -0.173 56.224 56.400 -0.005 0.000 1.344 355 E CB 0.306 30.003 29.700 -0.006 0.000 1.299 355 E HN 0.085 nan 8.360 nan 0.000 0.441 356 A N 0.957 123.774 122.820 -0.004 0.000 2.290 356 A HA 0.329 4.649 4.320 -0.000 0.000 0.310 356 A C 1.015 178.601 177.584 0.004 0.000 1.202 356 A CA -0.612 51.424 52.037 -0.001 0.000 0.837 356 A CB 0.470 19.466 19.000 -0.006 0.000 1.139 356 A HN 0.246 nan 8.150 nan 0.000 0.509 357 T N -1.100 113.460 114.554 0.009 0.000 3.010 357 T HA 0.296 4.646 4.350 -0.000 0.000 0.257 357 T C 0.743 175.454 174.700 0.019 0.000 1.020 357 T CA 0.578 62.685 62.100 0.012 0.000 0.938 357 T CB -0.067 68.807 68.868 0.010 0.000 1.049 357 T HN 0.732 nan 8.240 nan 0.000 0.522 358 S N -0.332 115.384 115.700 0.027 0.000 2.600 358 S HA 0.407 4.877 4.470 -0.000 0.000 0.300 358 S C 0.019 174.647 174.600 0.047 0.000 1.087 358 S CA -0.640 57.586 58.200 0.044 0.000 0.965 358 S CB 1.735 64.973 63.200 0.064 0.000 1.089 358 S HN 0.081 nan 8.310 nan 0.000 0.496 359 D N 0.849 121.286 120.400 0.062 0.000 2.137 359 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 359 D C 1.260 177.603 176.300 0.072 0.000 0.970 359 D CA 1.069 55.102 54.000 0.055 0.000 0.837 359 D CB -0.161 40.672 40.800 0.054 0.000 0.981 359 D HN 0.711 nan 8.370 nan 0.000 0.475 360 Y N 2.079 122.377 120.300 -0.003 0.000 2.274 360 Y HA -0.156 4.394 4.550 -0.001 0.000 0.290 360 Y C 1.725 177.617 175.900 -0.014 0.000 1.145 360 Y CA 1.393 59.490 58.100 -0.005 0.000 1.203 360 Y CB 0.094 38.554 38.460 -0.001 0.000 0.984 360 Y HN -0.127 nan 8.280 nan 0.000 0.533 361 D N -0.497 119.948 120.400 0.076 0.000 2.312 361 D HA -0.104 4.536 4.640 -0.000 0.000 0.211 361 D C 1.969 178.230 176.300 -0.065 0.000 0.964 361 D CA 0.633 54.632 54.000 -0.003 0.000 0.877 361 D CB 0.023 40.846 40.800 0.039 0.000 0.924 361 D HN 0.424 nan 8.370 nan 0.000 0.515 362 R N 0.876 121.341 120.500 -0.058 0.000 2.052 362 R HA -0.069 4.271 4.340 -0.000 0.000 0.224 362 R C 2.313 178.554 176.300 -0.098 0.000 1.165 362 R CA 0.853 56.917 56.100 -0.060 0.000 0.939 362 R CB 0.095 30.378 30.300 -0.030 0.000 0.834 362 R HN 0.091 nan 8.270 nan 0.000 0.435 363 E N 0.947 121.076 120.200 -0.119 0.000 2.147 363 E HA -0.256 4.093 4.350 -0.000 0.000 0.199 363 E C 1.643 178.139 176.600 -0.174 0.000 1.005 363 E CA 1.061 57.382 56.400 -0.131 0.000 0.810 363 E CB -0.201 29.422 29.700 -0.127 0.000 0.736 363 E HN 0.152 nan 8.360 nan 0.000 0.460 364 K N 0.743 120.978 120.400 -0.274 0.000 2.209 364 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 364 K C 2.277 178.783 176.600 -0.157 0.000 1.048 364 K CA 0.644 56.769 56.287 -0.271 0.000 0.940 364 K CB -0.226 32.039 32.500 -0.391 0.000 0.729 364 K HN 0.287 nan 8.250 nan 0.000 0.451 365 L N -0.054 121.094 121.223 -0.123 0.000 2.249 365 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 365 L C 2.168 179.000 176.870 -0.064 0.000 1.090 365 L CA 0.696 55.487 54.840 -0.082 0.000 0.802 365 L CB -0.204 41.817 42.059 -0.064 0.000 0.947 365 L HN 0.102 nan 8.230 nan 0.000 0.453 366 Q N -0.016 119.745 119.800 -0.065 0.000 2.311 366 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 366 Q C 1.849 177.822 176.000 -0.044 0.000 0.954 366 Q CA 0.823 56.598 55.803 -0.048 0.000 0.885 366 Q CB 0.182 28.895 28.738 -0.042 0.000 0.963 366 Q HN 0.437 nan 8.270 nan 0.000 0.471 367 E N 0.077 120.243 120.200 -0.057 0.000 2.204 367 E HA -0.113 4.236 4.350 -0.000 0.000 0.194 367 E C 1.826 178.405 176.600 -0.034 0.000 0.989 367 E CA 0.474 56.847 56.400 -0.044 0.000 0.824 367 E CB 0.176 29.843 29.700 -0.055 0.000 0.756 367 E HN 0.180 nan 8.360 nan 0.000 0.477 368 R N 0.292 120.765 120.500 -0.045 0.000 2.080 368 R HA -0.071 4.268 4.340 -0.000 0.000 0.222 368 R C 2.630 178.914 176.300 -0.026 0.000 1.107 368 R CA 1.201 57.279 56.100 -0.037 0.000 0.980 368 R CB -0.222 30.048 30.300 -0.050 0.000 0.879 368 R HN 0.188 nan 8.270 nan 0.000 0.439 369 V N -1.121 118.776 119.914 -0.028 0.000 2.392 369 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 369 V C 2.169 178.254 176.094 -0.014 0.000 1.059 369 V CA 1.838 64.126 62.300 -0.020 0.000 1.051 369 V CB -0.952 30.859 31.823 -0.021 0.000 0.658 369 V HN 0.244 nan 8.190 nan 0.000 0.455 370 A N 0.843 123.655 122.820 -0.014 0.000 1.824 370 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 370 A C 2.283 179.866 177.584 -0.002 0.000 1.209 370 A CA 2.235 54.267 52.037 -0.009 0.000 0.614 370 A CB -0.909 18.085 19.000 -0.010 0.000 0.852 370 A HN 0.536 nan 8.150 nan 0.000 0.447 371 K N -1.224 119.178 120.400 0.004 0.000 2.163 371 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 371 K C 1.833 178.443 176.600 0.016 0.000 1.048 371 K CA 1.848 58.145 56.287 0.018 0.000 0.928 371 K CB -0.334 32.185 32.500 0.033 0.000 0.716 371 K HN 0.385 nan 8.250 nan 0.000 0.459 372 L N -0.505 120.722 121.223 0.007 0.000 2.121 372 L HA 0.071 4.411 4.340 -0.000 0.000 0.200 372 L C 1.967 178.838 176.870 0.002 0.000 1.077 372 L CA 1.738 56.581 54.840 0.005 0.000 0.766 372 L CB -0.543 41.515 42.059 -0.002 0.000 0.931 372 L HN 0.097 nan 8.230 nan 0.000 0.452 373 A N -1.169 121.649 122.820 -0.002 0.000 2.123 373 A HA 0.177 4.496 4.320 -0.000 0.000 0.214 373 A C 2.146 179.728 177.584 -0.003 0.000 1.152 373 A CA 0.863 52.898 52.037 -0.003 0.000 0.728 373 A CB -1.053 17.944 19.000 -0.006 0.000 0.814 373 A HN 0.484 nan 8.150 nan 0.000 0.464 374 G N -0.595 108.204 108.800 -0.002 0.000 2.403 374 G HA2 0.372 4.332 3.960 -0.000 0.000 0.216 374 G HA3 0.372 4.332 3.960 -0.000 0.000 0.216 374 G C 1.109 176.008 174.900 -0.002 0.000 1.154 374 G CA 0.682 45.781 45.100 -0.002 0.000 0.784 374 G HN 1.648 nan 8.290 nan 0.000 0.538 375 G N -1.723 107.077 108.800 0.000 0.000 2.782 375 G HA2 0.034 3.994 3.960 -0.000 0.000 0.228 375 G HA3 0.034 3.994 3.960 -0.000 0.000 0.228 375 G C -0.715 174.182 174.900 -0.004 0.000 1.372 375 G CA -0.346 44.753 45.100 -0.001 0.000 0.862 375 G HN 0.995 nan 8.290 nan 0.000 0.547 376 V N 0.200 120.109 119.914 -0.008 0.000 2.588 376 V HA 0.755 4.875 4.120 -0.000 0.000 0.304 376 V C 0.666 176.750 176.094 -0.017 0.000 1.042 376 V CA -0.078 62.214 62.300 -0.014 0.000 0.877 376 V CB 1.504 33.317 31.823 -0.017 0.000 0.996 376 V HN 2.103 nan 8.190 nan 0.000 0.425 377 A N 4.400 127.208 122.820 -0.020 0.000 2.252 377 A HA 0.739 5.059 4.320 -0.000 0.000 0.309 377 A C -0.250 177.319 177.584 -0.024 0.000 1.285 377 A CA -0.463 51.562 52.037 -0.020 0.000 0.900 377 A CB 0.978 19.967 19.000 -0.018 0.000 1.157 377 A HN 1.414 nan 8.150 nan 0.000 0.536 378 V N 2.477 122.378 119.914 -0.022 0.000 2.427 378 V HA 0.695 4.814 4.120 -0.000 0.000 0.286 378 V C -0.289 175.792 176.094 -0.023 0.000 1.034 378 V CA -0.623 61.662 62.300 -0.025 0.000 0.893 378 V CB 0.838 32.646 31.823 -0.025 0.000 0.982 378 V HN 0.627 nan 8.190 nan 0.000 0.452 379 I N 5.462 126.017 120.570 -0.025 0.000 2.336 379 I HA 0.456 4.625 4.170 -0.000 0.000 0.292 379 I C 0.242 176.347 176.117 -0.021 0.000 0.991 379 I CA -0.526 60.761 61.300 -0.022 0.000 1.227 379 I CB 1.531 39.517 38.000 -0.024 0.000 1.366 379 I HN 0.658 nan 8.210 nan 0.000 0.466 380 K N 5.921 126.311 120.400 -0.017 0.000 2.240 380 K HA 0.459 4.779 4.320 -0.000 0.000 0.271 380 K C -0.946 175.645 176.600 -0.014 0.000 1.018 380 K CA -0.690 55.587 56.287 -0.016 0.000 0.874 380 K CB 2.211 34.703 32.500 -0.015 0.000 1.098 380 K HN 0.293 nan 8.250 nan 0.000 0.458 381 V N 2.991 122.897 119.914 -0.014 0.000 2.389 381 V HA 0.202 4.322 4.120 -0.000 0.000 0.264 381 V C 0.731 176.819 176.094 -0.010 0.000 1.049 381 V CA -0.509 61.784 62.300 -0.011 0.000 0.932 381 V CB 0.928 32.744 31.823 -0.011 0.000 1.011 381 V HN 0.913 nan 8.190 nan 0.000 0.475 382 G N 3.479 112.274 108.800 -0.009 0.000 2.451 382 G HA2 0.786 4.745 3.960 -0.000 0.000 0.303 382 G HA3 0.786 4.745 3.960 -0.000 0.000 0.303 382 G C -0.359 174.537 174.900 -0.007 0.000 1.166 382 G CA 0.282 45.377 45.100 -0.008 0.000 0.884 382 G HN 1.207 nan 8.290 nan 0.000 0.514 383 A N -0.543 122.274 122.820 -0.006 0.000 2.511 383 A HA 0.782 5.102 4.320 -0.000 0.000 0.293 383 A C 0.740 178.321 177.584 -0.005 0.000 1.098 383 A CA 0.437 52.471 52.037 -0.005 0.000 0.643 383 A CB 0.296 19.293 19.000 -0.005 0.000 1.302 383 A HN 1.778 nan 8.150 nan 0.000 0.446 384 A N -0.519 122.298 122.820 -0.004 0.000 1.855 384 A HA 0.445 4.765 4.320 -0.000 0.000 0.213 384 A C 1.393 178.974 177.584 -0.004 0.000 1.195 384 A CA 2.357 54.391 52.037 -0.004 0.000 0.610 384 A CB -0.645 18.353 19.000 -0.004 0.000 0.837 384 A HN 1.948 nan 8.150 nan 0.000 0.444 385 T N -2.433 112.118 114.554 -0.004 0.000 2.932 385 T HA 0.378 4.728 4.350 -0.000 0.000 0.289 385 T C 0.751 175.449 174.700 -0.003 0.000 1.039 385 T CA 0.061 62.159 62.100 -0.003 0.000 1.024 385 T CB 1.664 70.530 68.868 -0.003 0.000 1.090 385 T HN 0.379 nan 8.240 nan 0.000 0.496 386 E N 1.047 121.245 120.200 -0.003 0.000 2.097 386 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 386 E C 1.936 178.535 176.600 -0.003 0.000 1.000 386 E CA 1.883 58.281 56.400 -0.003 0.000 0.804 386 E CB -0.168 29.530 29.700 -0.003 0.000 0.740 386 E HN 0.569 nan 8.360 nan 0.000 0.454 387 V N 0.806 120.718 119.914 -0.002 0.000 2.237 387 V HA -0.277 3.842 4.120 -0.000 0.000 0.245 387 V C 2.288 178.381 176.094 -0.002 0.000 1.046 387 V CA 2.251 64.549 62.300 -0.002 0.000 1.007 387 V CB -0.793 31.029 31.823 -0.002 0.000 0.638 387 V HN 0.315 nan 8.190 nan 0.000 0.445 388 E N -0.539 119.659 120.200 -0.003 0.000 2.086 388 E HA -0.321 4.029 4.350 -0.000 0.000 0.205 388 E C 2.244 178.842 176.600 -0.003 0.000 1.027 388 E CA 2.245 58.644 56.400 -0.003 0.000 0.830 388 E CB -0.208 29.490 29.700 -0.003 0.000 0.751 388 E HN 0.465 nan 8.360 nan 0.000 0.456 389 M N 0.419 120.017 119.600 -0.004 0.000 2.065 389 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 389 M C 1.894 178.191 176.300 -0.004 0.000 1.071 389 M CA 1.686 56.983 55.300 -0.004 0.000 1.109 389 M CB -0.184 32.413 32.600 -0.005 0.000 1.313 389 M HN -0.093 nan 8.290 nan 0.000 0.408 390 K N -0.404 119.994 120.400 -0.003 0.000 2.555 390 K HA -0.108 4.212 4.320 -0.000 0.000 0.193 390 K C 1.775 178.375 176.600 -0.001 0.000 1.032 390 K CA 0.359 56.644 56.287 -0.002 0.000 1.004 390 K CB 0.115 32.614 32.500 -0.002 0.000 0.804 390 K HN 0.315 nan 8.250 nan 0.000 0.496 391 E N 1.293 121.492 120.200 -0.001 0.000 2.075 391 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 391 E C 1.686 178.285 176.600 -0.001 0.000 0.969 391 E CA 0.921 57.321 56.400 -0.000 0.000 0.815 391 E CB 0.248 29.948 29.700 -0.001 0.000 0.776 391 E HN 0.087 nan 8.360 nan 0.000 0.457 392 K N 1.149 121.548 120.400 -0.002 0.000 2.020 392 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 392 K C 2.306 178.904 176.600 -0.004 0.000 1.050 392 K CA 1.622 57.907 56.287 -0.003 0.000 0.929 392 K CB -0.118 32.379 32.500 -0.005 0.000 0.714 392 K HN -0.089 nan 8.250 nan 0.000 0.443 393 K N 0.073 120.470 120.400 -0.005 0.000 2.127 393 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 393 K C 1.918 178.515 176.600 -0.004 0.000 1.047 393 K CA 1.512 57.795 56.287 -0.007 0.000 0.927 393 K CB -0.181 32.315 32.500 -0.007 0.000 0.716 393 K HN 0.261 nan 8.250 nan 0.000 0.450 394 A N 1.131 123.952 122.820 0.001 0.000 1.902 394 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 394 A C 2.092 179.682 177.584 0.011 0.000 1.181 394 A CA 1.388 53.429 52.037 0.007 0.000 0.623 394 A CB -0.386 18.619 19.000 0.009 0.000 0.818 394 A HN 0.325 nan 8.150 nan 0.000 0.443 395 R N -0.729 119.775 120.500 0.007 0.000 2.115 395 R HA -0.029 4.310 4.340 -0.000 0.000 0.230 395 R C 1.968 178.272 176.300 0.007 0.000 1.111 395 R CA 1.162 57.267 56.100 0.009 0.000 0.976 395 R CB -0.368 29.935 30.300 0.004 0.000 0.870 395 R HN 0.401 nan 8.270 nan 0.000 0.445 396 V N 1.076 120.990 119.914 -0.001 0.000 2.295 396 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 396 V C 1.860 177.944 176.094 -0.017 0.000 1.049 396 V CA 1.867 64.162 62.300 -0.009 0.000 1.024 396 V CB -0.387 31.427 31.823 -0.014 0.000 0.648 396 V HN 0.337 nan 8.190 nan 0.000 0.447 397 E N -0.261 119.927 120.200 -0.020 0.000 2.153 397 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 397 E C 1.973 178.579 176.600 0.009 0.000 0.988 397 E CA 1.223 57.598 56.400 -0.042 0.000 0.811 397 E CB -0.140 29.539 29.700 -0.035 0.000 0.746 397 E HN 0.598 nan 8.360 nan 0.000 0.466 398 D N 0.258 120.689 120.400 0.051 0.000 2.097 398 D HA -0.138 4.501 4.640 -0.000 0.000 0.195 398 D C 1.924 178.277 176.300 0.089 0.000 0.989 398 D CA 1.359 55.416 54.000 0.094 0.000 0.827 398 D CB -0.135 40.697 40.800 0.054 0.000 0.966 398 D HN 0.164 nan 8.370 nan 0.000 0.456 399 A N 0.936 123.781 122.820 0.042 0.000 1.873 399 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 399 A C 2.314 179.917 177.584 0.031 0.000 1.186 399 A CA 0.921 52.978 52.037 0.032 0.000 0.616 399 A CB -0.942 18.066 19.000 0.013 0.000 0.823 399 A HN 0.234 nan 8.150 nan 0.000 0.442 400 L N -0.923 120.299 121.223 -0.001 0.000 2.010 400 L HA -0.315 4.025 4.340 -0.000 0.000 0.219 400 L C 2.597 179.460 176.870 -0.011 0.000 1.077 400 L CA 2.436 57.255 54.840 -0.035 0.000 0.773 400 L CB -0.509 41.494 42.059 -0.093 0.000 0.892 400 L HN 0.524 nan 8.230 nan 0.000 0.436 401 H N -0.386 118.681 119.070 -0.005 0.000 2.252 401 H HA -0.193 4.363 4.556 -0.001 0.000 0.292 401 H C 2.153 177.481 175.328 -0.001 0.000 1.082 401 H CA 1.795 57.841 56.048 -0.004 0.000 1.229 401 H CB -0.674 29.085 29.762 -0.004 0.000 1.353 401 H HN 0.549 nan 8.280 nan 0.000 0.488 402 A N -0.106 122.802 122.820 0.148 0.000 2.024 402 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 402 A C 2.570 180.186 177.584 0.054 0.000 1.164 402 A CA 2.105 54.186 52.037 0.073 0.000 0.643 402 A CB -0.640 18.388 19.000 0.046 0.000 0.806 402 A HN 0.511 nan 8.150 nan 0.000 0.451 403 T N -1.030 113.553 114.554 0.049 0.000 2.894 403 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 403 T C 2.068 176.786 174.700 0.030 0.000 1.043 403 T CA 1.053 63.170 62.100 0.029 0.000 1.141 403 T CB -0.159 68.719 68.868 0.017 0.000 0.873 403 T HN 0.475 nan 8.240 nan 0.000 0.449 404 R N 0.878 121.401 120.500 0.038 0.000 2.105 404 R HA -0.006 4.334 4.340 -0.000 0.000 0.239 404 R C 2.712 179.038 176.300 0.043 0.000 1.135 404 R CA 1.333 57.455 56.100 0.036 0.000 0.967 404 R CB -0.385 29.940 30.300 0.042 0.000 0.861 404 R HN 0.376 nan 8.270 nan 0.000 0.442 405 A N 0.626 123.480 122.820 0.056 0.000 1.898 405 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 405 A C 2.282 179.885 177.584 0.032 0.000 1.181 405 A CA 1.490 53.555 52.037 0.046 0.000 0.620 405 A CB -0.500 18.528 19.000 0.048 0.000 0.819 405 A HN 0.406 nan 8.150 nan 0.000 0.442 406 A N -0.449 122.388 122.820 0.029 0.000 1.898 406 A HA 0.045 4.364 4.320 -0.000 0.000 0.216 406 A C 2.211 179.806 177.584 0.020 0.000 1.181 406 A CA 1.633 53.683 52.037 0.022 0.000 0.620 406 A CB -0.938 18.074 19.000 0.020 0.000 0.819 406 A HN 0.340 nan 8.150 nan 0.000 0.442 407 V N 0.278 120.204 119.914 0.020 0.000 2.231 407 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 407 V C 2.453 178.557 176.094 0.017 0.000 1.054 407 V CA 2.539 64.849 62.300 0.016 0.000 1.015 407 V CB -0.995 30.837 31.823 0.015 0.000 0.638 407 V HN 0.666 nan 8.190 nan 0.000 0.444 408 E N -0.295 119.917 120.200 0.020 0.000 2.097 408 E HA -0.227 4.122 4.350 -0.000 0.000 0.196 408 E C 1.717 178.328 176.600 0.018 0.000 1.000 408 E CA 1.714 58.126 56.400 0.020 0.000 0.804 408 E CB -0.065 29.649 29.700 0.024 0.000 0.740 408 E HN 0.730 nan 8.360 nan 0.000 0.454 409 E N -0.979 119.232 120.200 0.019 0.000 2.676 409 E HA 0.253 4.603 4.350 -0.000 0.000 0.225 409 E C 0.389 176.999 176.600 0.017 0.000 0.944 409 E CA 0.166 56.577 56.400 0.017 0.000 1.156 409 E CB 1.654 31.365 29.700 0.018 0.000 1.117 409 E HN 0.209 nan 8.360 nan 0.000 0.523 410 G N 1.566 110.376 108.800 0.017 0.000 2.728 410 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.294 410 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.294 410 G C -0.218 174.692 174.900 0.017 0.000 1.342 410 G CA -0.460 44.650 45.100 0.016 0.000 0.866 410 G HN 0.470 nan 8.290 nan 0.000 0.534 411 V N -2.334 117.590 119.914 0.016 0.000 3.103 411 V HA 1.010 5.130 4.120 -0.000 0.000 0.318 411 V C 0.756 176.861 176.094 0.018 0.000 1.114 411 V CA 0.362 62.672 62.300 0.016 0.000 1.020 411 V CB 1.278 33.110 31.823 0.015 0.000 1.085 411 V HN 2.605 nan 8.190 nan 0.000 0.446 412 V N -1.548 118.377 119.914 0.018 0.000 3.203 412 V HA 0.963 5.083 4.120 -0.000 0.000 0.305 412 V C 0.248 176.355 176.094 0.021 0.000 1.361 412 V CA -0.770 61.544 62.300 0.022 0.000 1.066 412 V CB 1.157 32.994 31.823 0.023 0.000 1.085 412 V HN 2.329 nan 8.190 nan 0.000 0.456 413 A N 0.547 123.383 122.820 0.027 0.000 2.553 413 A HA 0.478 4.798 4.320 -0.000 0.000 0.258 413 A C 1.399 178.994 177.584 0.018 0.000 1.069 413 A CA 0.601 52.654 52.037 0.026 0.000 0.767 413 A CB -0.376 18.648 19.000 0.041 0.000 0.997 413 A HN 2.191 nan 8.150 nan 0.000 0.512 414 G N 2.015 110.819 108.800 0.007 0.000 2.920 414 G HA2 0.217 4.177 3.960 -0.000 0.000 0.208 414 G HA3 0.217 4.177 3.960 -0.000 0.000 0.208 414 G C 0.923 175.823 174.900 -0.000 0.000 1.159 414 G CA 0.750 45.851 45.100 0.001 0.000 0.784 414 G HN 1.086 nan 8.290 nan 0.000 0.535 415 G N -0.911 107.892 108.800 0.005 0.000 3.189 415 G HA2 0.402 4.361 3.960 -0.000 0.000 0.225 415 G HA3 0.402 4.361 3.960 -0.000 0.000 0.225 415 G C 1.199 176.114 174.900 0.024 0.000 1.159 415 G CA 0.358 45.460 45.100 0.002 0.000 0.763 415 G HN 1.129 nan 8.290 nan 0.000 0.549 416 G N -0.597 108.219 108.800 0.026 0.000 2.284 416 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.230 416 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.230 416 G C 1.460 176.386 174.900 0.042 0.000 1.021 416 G CA 0.564 45.685 45.100 0.035 0.000 0.619 416 G HN 0.616 nan 8.290 nan 0.000 0.510 417 V N 1.535 121.478 119.914 0.048 0.000 2.252 417 V HA -0.178 3.942 4.120 -0.000 0.000 0.255 417 V C 3.354 179.480 176.094 0.052 0.000 1.071 417 V CA 3.518 65.853 62.300 0.058 0.000 1.050 417 V CB -1.516 30.341 31.823 0.056 0.000 0.654 417 V HN 1.316 nan 8.190 nan 0.000 0.448 418 A N -0.309 122.536 122.820 0.042 0.000 1.908 418 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 418 A C 2.211 179.817 177.584 0.036 0.000 1.181 418 A CA 1.881 53.941 52.037 0.038 0.000 0.627 418 A CB -0.490 18.528 19.000 0.031 0.000 0.818 418 A HN 0.441 nan 8.150 nan 0.000 0.445 419 L N -0.470 120.773 121.223 0.033 0.000 2.056 419 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 419 L C 2.522 179.412 176.870 0.033 0.000 1.078 419 L CA 1.222 56.080 54.840 0.030 0.000 0.749 419 L CB -1.025 41.051 42.059 0.028 0.000 0.901 419 L HN 0.331 nan 8.230 nan 0.000 0.433 420 I N 0.148 120.742 120.570 0.040 0.000 2.335 420 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 420 I C 2.741 178.884 176.117 0.043 0.000 1.129 420 I CA 1.243 62.569 61.300 0.043 0.000 1.402 420 I CB -0.492 37.541 38.000 0.054 0.000 1.069 420 I HN 0.312 nan 8.210 nan 0.000 0.424 421 R N 0.940 121.469 120.500 0.047 0.000 2.057 421 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 421 R C 2.351 178.671 176.300 0.033 0.000 1.136 421 R CA 1.978 58.106 56.100 0.046 0.000 0.952 421 R CB -0.537 29.794 30.300 0.053 0.000 0.848 421 R HN 0.268 nan 8.270 nan 0.000 0.430 422 V N -0.882 119.050 119.914 0.030 0.000 2.490 422 V HA -0.072 4.048 4.120 -0.000 0.000 0.250 422 V C 2.126 178.232 176.094 0.020 0.000 1.061 422 V CA 1.798 64.112 62.300 0.023 0.000 1.064 422 V CB -1.080 30.755 31.823 0.020 0.000 0.670 422 V HN 0.385 nan 8.190 nan 0.000 0.461 423 A N 1.511 124.344 122.820 0.022 0.000 1.898 423 A HA -0.137 4.182 4.320 -0.000 0.000 0.216 423 A C 2.596 180.190 177.584 0.017 0.000 1.181 423 A CA 2.351 54.399 52.037 0.018 0.000 0.620 423 A CB -1.048 17.964 19.000 0.019 0.000 0.819 423 A HN 1.018 nan 8.150 nan 0.000 0.442 424 S N -0.361 115.350 115.700 0.020 0.000 2.481 424 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 424 S C 1.725 176.333 174.600 0.013 0.000 0.996 424 S CA 1.142 59.352 58.200 0.017 0.000 0.942 424 S CB -0.257 62.955 63.200 0.020 0.000 0.768 424 S HN 0.573 nan 8.310 nan 0.000 0.520 425 K N 0.996 121.404 120.400 0.014 0.000 1.991 425 K HA 0.044 4.363 4.320 -0.000 0.000 0.207 425 K C 0.650 177.255 176.600 0.008 0.000 1.045 425 K CA 1.123 57.417 56.287 0.011 0.000 0.937 425 K CB -0.515 31.993 32.500 0.013 0.000 0.720 425 K HN 0.482 nan 8.250 nan 0.000 0.438 426 L N -0.376 120.853 121.223 0.009 0.000 2.865 426 L HA 0.354 4.693 4.340 -0.000 0.000 0.233 426 L C 0.680 177.554 176.870 0.006 0.000 1.320 426 L CA -0.074 54.770 54.840 0.007 0.000 1.225 426 L CB 0.419 42.482 42.059 0.006 0.000 1.542 426 L HN -0.098 nan 8.230 nan 0.000 0.432 427 A N -1.309 121.515 122.820 0.006 0.000 2.415 427 A HA 0.232 4.552 4.320 -0.000 0.000 0.248 427 A C 1.083 178.669 177.584 0.004 0.000 1.299 427 A CA -0.038 52.002 52.037 0.005 0.000 0.899 427 A CB -0.198 18.805 19.000 0.006 0.000 0.997 427 A HN 0.410 nan 8.150 nan 0.000 0.506 428 D N -0.820 119.582 120.400 0.003 0.000 2.389 428 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 428 D C 0.399 176.701 176.300 0.002 0.000 1.055 428 D CA -0.124 53.877 54.000 0.002 0.000 0.856 428 D CB 0.066 40.867 40.800 0.002 0.000 0.957 428 D HN 0.299 nan 8.370 nan 0.000 0.509 429 L N 2.179 123.403 121.223 0.003 0.000 2.615 429 L HA -0.052 4.288 4.340 -0.000 0.000 0.284 429 L C 0.494 177.365 176.870 0.002 0.000 1.237 429 L CA 0.868 55.710 54.840 0.002 0.000 0.905 429 L CB 0.024 42.085 42.059 0.003 0.000 1.149 429 L HN -0.110 nan 8.230 nan 0.000 0.499 430 R N 3.029 123.530 120.500 0.002 0.000 2.919 430 R HA 0.743 5.082 4.340 -0.000 0.000 0.260 430 R C -0.043 176.257 176.300 0.001 0.000 1.067 430 R CA -0.335 55.766 56.100 0.001 0.000 1.003 430 R CB 1.384 31.684 30.300 0.001 0.000 1.192 430 R HN 0.782 nan 8.270 nan 0.000 0.488 431 G N -0.013 108.787 108.800 0.001 0.000 3.122 431 G HA2 0.296 4.256 3.960 -0.000 0.000 0.180 431 G HA3 0.296 4.256 3.960 -0.000 0.000 0.180 431 G C -0.194 174.707 174.900 0.001 0.000 1.279 431 G CA -0.078 45.023 45.100 0.001 0.000 0.987 431 G HN 0.371 nan 8.290 nan 0.000 0.589 432 Q N -0.534 119.266 119.800 0.001 0.000 2.514 432 Q HA 0.177 4.517 4.340 -0.000 0.000 0.208 432 Q C 1.084 177.085 176.000 0.001 0.000 0.938 432 Q CA -0.094 55.709 55.803 0.001 0.000 0.892 432 Q CB -0.306 28.433 28.738 0.001 0.000 1.050 432 Q HN 0.540 nan 8.270 nan 0.000 0.595 433 N N 2.088 120.789 118.700 0.001 0.000 2.412 433 N HA -0.105 4.635 4.740 -0.000 0.000 0.254 433 N C 0.853 176.364 175.510 0.002 0.000 1.232 433 N CA 0.069 53.120 53.050 0.001 0.000 0.880 433 N CB 0.534 39.023 38.487 0.002 0.000 1.076 433 N HN 0.371 nan 8.380 nan 0.000 0.458 434 E N 2.272 122.473 120.200 0.001 0.000 2.331 434 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 434 E C 0.137 176.738 176.600 0.002 0.000 1.008 434 E CA 1.231 57.632 56.400 0.002 0.000 0.843 434 E CB 0.076 29.776 29.700 0.001 0.000 0.761 434 E HN 0.583 nan 8.360 nan 0.000 0.507 435 D N 1.204 121.606 120.400 0.002 0.000 2.144 435 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 435 D C 1.887 178.189 176.300 0.003 0.000 0.984 435 D CA 1.131 55.133 54.000 0.003 0.000 0.834 435 D CB -0.118 40.684 40.800 0.003 0.000 0.955 435 D HN 0.414 nan 8.370 nan 0.000 0.465 436 Q N -0.110 119.692 119.800 0.002 0.000 2.245 436 Q HA -0.035 4.305 4.340 -0.000 0.000 0.201 436 Q C 1.686 177.688 176.000 0.002 0.000 0.955 436 Q CA 0.375 56.180 55.803 0.002 0.000 0.870 436 Q CB 0.116 28.855 28.738 0.002 0.000 0.945 436 Q HN 0.193 nan 8.270 nan 0.000 0.461 437 N N 0.239 118.940 118.700 0.002 0.000 2.069 437 N HA -0.138 4.601 4.740 -0.000 0.000 0.191 437 N C 1.824 177.336 175.510 0.003 0.000 1.031 437 N CA 1.121 54.172 53.050 0.002 0.000 0.852 437 N CB -0.357 38.131 38.487 0.002 0.000 1.018 437 N HN 0.039 nan 8.380 nan 0.000 0.423 438 V N 0.808 120.724 119.914 0.003 0.000 2.343 438 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 438 V C 2.423 178.519 176.094 0.004 0.000 1.051 438 V CA 1.978 64.281 62.300 0.004 0.000 1.036 438 V CB -1.321 30.504 31.823 0.004 0.000 0.654 438 V HN 0.348 nan 8.190 nan 0.000 0.451 439 G N 0.489 109.291 108.800 0.004 0.000 2.514 439 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 439 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 439 G C 1.541 176.443 174.900 0.004 0.000 1.198 439 G CA 1.463 46.566 45.100 0.004 0.000 0.780 439 G HN 0.504 nan 8.290 nan 0.000 0.565 440 I N 0.665 121.238 120.570 0.004 0.000 2.163 440 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 440 I C 2.836 178.956 176.117 0.005 0.000 1.085 440 I CA 1.443 62.746 61.300 0.004 0.000 1.347 440 I CB -0.212 37.790 38.000 0.003 0.000 1.044 440 I HN 0.102 nan 8.210 nan 0.000 0.408 441 K N 0.583 120.986 120.400 0.005 0.000 1.978 441 K HA -0.162 4.157 4.320 -0.000 0.000 0.214 441 K C 2.184 178.788 176.600 0.007 0.000 1.049 441 K CA 1.637 57.928 56.287 0.006 0.000 0.939 441 K CB -0.715 31.788 32.500 0.005 0.000 0.721 441 K HN 0.120 nan 8.250 nan 0.000 0.441 442 V N 1.756 121.674 119.914 0.007 0.000 2.236 442 V HA -0.379 3.740 4.120 -0.000 0.000 0.255 442 V C 2.507 178.606 176.094 0.009 0.000 1.068 442 V CA 2.353 64.657 62.300 0.008 0.000 1.044 442 V CB -0.891 30.937 31.823 0.008 0.000 0.653 442 V HN 0.493 nan 8.190 nan 0.000 0.448 443 A N -0.872 121.953 122.820 0.008 0.000 1.851 443 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 443 A C 2.215 179.805 177.584 0.010 0.000 1.195 443 A CA 2.249 54.291 52.037 0.009 0.000 0.622 443 A CB -0.654 18.350 19.000 0.007 0.000 0.831 443 A HN 0.502 nan 8.150 nan 0.000 0.444 444 L N -0.916 120.313 121.223 0.010 0.000 2.013 444 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 444 L C 2.894 179.772 176.870 0.013 0.000 1.073 444 L CA 2.042 56.888 54.840 0.011 0.000 0.753 444 L CB -0.476 41.589 42.059 0.009 0.000 0.890 444 L HN 0.539 nan 8.230 nan 0.000 0.432 445 R N 0.366 120.873 120.500 0.011 0.000 2.189 445 R HA -0.111 4.229 4.340 -0.000 0.000 0.218 445 R C 2.132 178.440 176.300 0.014 0.000 1.074 445 R CA 1.040 57.147 56.100 0.012 0.000 0.991 445 R CB -0.107 30.198 30.300 0.010 0.000 0.883 445 R HN 0.325 nan 8.270 nan 0.000 0.457 446 A N 1.210 124.038 122.820 0.014 0.000 1.972 446 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 446 A C 2.107 179.702 177.584 0.018 0.000 1.169 446 A CA 1.398 53.444 52.037 0.016 0.000 0.635 446 A CB -0.356 18.654 19.000 0.015 0.000 0.810 446 A HN 0.378 nan 8.150 nan 0.000 0.446 447 M N -0.602 119.009 119.600 0.018 0.000 2.476 447 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 447 M C 1.450 177.765 176.300 0.024 0.000 1.079 447 M CA 0.949 56.262 55.300 0.021 0.000 1.104 447 M CB -0.308 32.304 32.600 0.020 0.000 1.409 447 M HN 0.462 nan 8.290 nan 0.000 0.467 448 E N 0.825 121.039 120.200 0.023 0.000 2.358 448 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 448 E C 2.108 178.724 176.600 0.026 0.000 1.010 448 E CA 0.659 57.075 56.400 0.026 0.000 0.856 448 E CB -0.075 29.639 29.700 0.022 0.000 0.795 448 E HN 0.498 nan 8.360 nan 0.000 0.504 449 A N 2.631 125.465 122.820 0.023 0.000 1.859 449 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 449 A C -0.204 177.394 177.584 0.024 0.000 1.198 449 A CA 1.516 53.566 52.037 0.021 0.000 0.629 449 A CB -1.606 17.405 19.000 0.019 0.000 0.830 449 A HN 0.142 nan 8.150 nan 0.000 0.446 450 P HA -0.165 nan 4.420 nan 0.000 0.214 450 P C 1.756 179.076 177.300 0.033 0.000 1.163 450 P CA 1.165 64.281 63.100 0.026 0.000 0.889 450 P CB -0.104 31.611 31.700 0.025 0.000 0.790 451 L N -0.649 120.598 121.223 0.041 0.000 1.989 451 L HA -0.189 4.150 4.340 -0.000 0.000 0.211 451 L C 2.455 179.356 176.870 0.052 0.000 1.071 451 L CA 1.978 56.852 54.840 0.057 0.000 0.749 451 L CB -0.751 41.347 42.059 0.066 0.000 0.890 451 L HN -0.271 nan 8.230 nan 0.000 0.431 452 R N -0.943 119.580 120.500 0.038 0.000 2.096 452 R HA -0.256 4.084 4.340 -0.000 0.000 0.240 452 R C 2.364 178.682 176.300 0.030 0.000 1.139 452 R CA 1.935 58.052 56.100 0.029 0.000 0.952 452 R CB -0.566 29.746 30.300 0.021 0.000 0.854 452 R HN 0.421 nan 8.270 nan 0.000 0.436 453 Q N 0.543 120.359 119.800 0.028 0.000 2.061 453 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 453 Q C 1.870 177.888 176.000 0.030 0.000 0.984 453 Q CA 1.746 57.564 55.803 0.025 0.000 0.846 453 Q CB -0.162 28.588 28.738 0.020 0.000 0.902 453 Q HN 0.298 nan 8.270 nan 0.000 0.421 454 I N -0.387 120.205 120.570 0.037 0.000 2.118 454 I HA -0.294 3.875 4.170 -0.000 0.000 0.241 454 I C 2.198 178.352 176.117 0.062 0.000 1.070 454 I CA 1.274 62.599 61.300 0.042 0.000 1.327 454 I CB -1.282 36.746 38.000 0.047 0.000 1.034 454 I HN 0.108 nan 8.210 nan 0.000 0.405 455 V N 1.026 120.992 119.914 0.087 0.000 2.324 455 V HA -0.286 3.833 4.120 -0.000 0.000 0.250 455 V C 2.574 178.699 176.094 0.052 0.000 1.060 455 V CA 1.976 64.333 62.300 0.095 0.000 1.042 455 V CB -0.655 31.200 31.823 0.053 0.000 0.650 455 V HN 0.355 nan 8.190 nan 0.000 0.450 456 L N 0.428 121.672 121.223 0.035 0.000 2.027 456 L HA -0.102 4.237 4.340 -0.000 0.000 0.206 456 L C 2.211 179.094 176.870 0.021 0.000 1.074 456 L CA 1.887 56.740 54.840 0.022 0.000 0.745 456 L CB -0.826 41.243 42.059 0.017 0.000 0.898 456 L HN 0.288 nan 8.230 nan 0.000 0.433 457 N N -0.473 118.240 118.700 0.022 0.000 2.091 457 N HA -0.233 4.507 4.740 -0.000 0.000 0.193 457 N C 1.847 177.368 175.510 0.018 0.000 1.021 457 N CA 1.941 55.002 53.050 0.017 0.000 0.862 457 N CB -1.039 37.457 38.487 0.016 0.000 1.018 457 N HN 0.464 nan 8.380 nan 0.000 0.429 458 C N -0.978 118.339 119.300 0.028 0.000 2.432 458 C HA 0.160 4.619 4.460 -0.000 0.000 0.282 458 C C 1.783 176.790 174.990 0.028 0.000 1.388 458 C CA 0.610 59.647 59.018 0.031 0.000 1.777 458 C CB -1.287 26.488 27.740 0.058 0.000 1.882 458 C HN 0.681 nan 8.230 nan 0.000 0.520 459 G N 0.478 109.294 108.800 0.025 0.000 2.141 459 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.242 459 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.242 459 G C -0.193 174.718 174.900 0.018 0.000 0.982 459 G CA 0.165 45.276 45.100 0.018 0.000 0.662 459 G HN 0.577 nan 8.290 nan 0.000 0.527 460 E N 0.369 120.584 120.200 0.025 0.000 2.292 460 E HA 0.406 4.756 4.350 -0.000 0.000 0.258 460 E C -0.058 176.539 176.600 -0.006 0.000 1.115 460 E CA -0.765 55.641 56.400 0.009 0.000 0.929 460 E CB 0.892 30.597 29.700 0.007 0.000 1.161 460 E HN 0.305 nan 8.360 nan 0.000 0.453 461 E N 1.624 121.810 120.200 -0.024 0.000 2.257 461 E HA 0.080 4.429 4.350 -0.000 0.000 0.278 461 E C -1.752 174.826 176.600 -0.037 0.000 1.049 461 E CA -1.469 54.916 56.400 -0.026 0.000 0.876 461 E CB 1.023 30.706 29.700 -0.029 0.000 1.035 461 E HN 0.236 nan 8.360 nan 0.000 0.419 462 P HA -0.139 nan 4.420 nan 0.000 0.209 462 P C 1.481 178.769 177.300 -0.021 0.000 1.203 462 P CA 1.274 64.364 63.100 -0.016 0.000 0.916 462 P CB 0.008 31.708 31.700 -0.000 0.000 0.763 463 S N -0.268 115.424 115.700 -0.012 0.000 2.502 463 S HA -0.285 4.185 4.470 -0.000 0.000 0.288 463 S C 1.992 176.580 174.600 -0.021 0.000 1.186 463 S CA 2.541 60.734 58.200 -0.012 0.000 1.182 463 S CB -2.173 61.022 63.200 -0.010 0.000 1.135 463 S HN -0.032 nan 8.310 nan 0.000 0.442 464 V N 1.495 121.391 119.914 -0.030 0.000 2.244 464 V HA -0.108 4.012 4.120 -0.000 0.000 0.244 464 V C 2.699 178.762 176.094 -0.052 0.000 1.042 464 V CA 1.743 64.020 62.300 -0.038 0.000 1.006 464 V CB -0.834 30.968 31.823 -0.035 0.000 0.641 464 V HN 0.507 nan 8.190 nan 0.000 0.446 465 V N 0.254 120.114 119.914 -0.089 0.000 2.392 465 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 465 V C 2.659 178.745 176.094 -0.014 0.000 1.059 465 V CA 2.009 64.247 62.300 -0.104 0.000 1.051 465 V CB -1.080 30.533 31.823 -0.350 0.000 0.658 465 V HN 0.565 nan 8.190 nan 0.000 0.455 466 A N 0.765 123.579 122.820 -0.011 0.000 1.851 466 A HA -0.332 3.988 4.320 -0.000 0.000 0.216 466 A C 2.069 179.659 177.584 0.011 0.000 1.195 466 A CA 2.466 54.513 52.037 0.017 0.000 0.622 466 A CB -1.025 17.983 19.000 0.014 0.000 0.831 466 A HN 0.678 nan 8.150 nan 0.000 0.444 467 N N -0.438 118.257 118.700 -0.008 0.000 2.060 467 N HA -0.227 4.513 4.740 -0.000 0.000 0.195 467 N C 1.824 177.318 175.510 -0.026 0.000 1.028 467 N CA 3.445 56.486 53.050 -0.014 0.000 0.861 467 N CB -0.577 37.896 38.487 -0.023 0.000 1.029 467 N HN 0.522 nan 8.380 nan 0.000 0.428 468 T N -1.740 112.774 114.554 -0.066 0.000 2.821 468 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 468 T C 1.959 176.640 174.700 -0.032 0.000 1.046 468 T CA 1.535 63.559 62.100 -0.127 0.000 1.139 468 T CB -0.838 67.829 68.868 -0.334 0.000 0.871 468 T HN 0.044 nan 8.240 nan 0.000 0.454 469 V N 2.197 122.132 119.914 0.034 0.000 2.324 469 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 469 V C 2.877 179.054 176.094 0.138 0.000 1.060 469 V CA 2.184 64.565 62.300 0.135 0.000 1.042 469 V CB -0.596 31.315 31.823 0.146 0.000 0.650 469 V HN 0.572 nan 8.190 nan 0.000 0.450 470 K N 0.215 120.660 120.400 0.074 0.000 2.152 470 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 470 K C 2.145 178.769 176.600 0.039 0.000 1.048 470 K CA 1.479 57.797 56.287 0.052 0.000 0.933 470 K CB -0.609 31.908 32.500 0.028 0.000 0.721 470 K HN 0.587 nan 8.250 nan 0.000 0.447 471 G N 1.179 109.996 108.800 0.028 0.000 2.534 471 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.217 471 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.217 471 G C 0.849 175.732 174.900 -0.028 0.000 1.128 471 G CA 0.639 45.736 45.100 -0.006 0.000 0.784 471 G HN 0.357 nan 8.290 nan 0.000 0.542 472 G N -0.911 107.901 108.800 0.020 0.000 2.531 472 G HA2 0.497 4.456 3.960 -0.000 0.000 0.253 472 G HA3 0.497 4.456 3.960 -0.000 0.000 0.253 472 G C -0.827 174.060 174.900 -0.023 0.000 1.439 472 G CA -0.372 44.683 45.100 -0.075 0.000 1.056 472 G HN 0.154 nan 8.290 nan 0.000 0.555 473 D N -2.361 118.029 120.400 -0.016 0.000 2.596 473 D HA 0.479 5.118 4.640 -0.000 0.000 0.262 473 D C 0.843 177.182 176.300 0.064 0.000 1.210 473 D CA 0.523 54.532 54.000 0.015 0.000 0.873 473 D CB 1.750 42.535 40.800 -0.025 0.000 1.408 473 D HN 0.838 nan 8.370 nan 0.000 0.441 474 G N 1.345 110.177 108.800 0.052 0.000 2.672 474 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.324 474 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.324 474 G C 0.371 175.326 174.900 0.091 0.000 1.286 474 G CA 0.292 45.428 45.100 0.060 0.000 1.004 474 G HN 0.581 nan 8.290 nan 0.000 0.548 475 N N 0.356 119.118 118.700 0.103 0.000 2.320 475 N HA 0.174 4.914 4.740 -0.000 0.000 0.237 475 N C -0.141 175.469 175.510 0.166 0.000 1.129 475 N CA 0.018 53.133 53.050 0.109 0.000 0.854 475 N CB 0.366 38.898 38.487 0.074 0.000 1.083 475 N HN 0.473 nan 8.380 nan 0.000 0.504 476 Y N 1.185 121.516 120.300 0.051 0.000 2.359 476 Y HA 0.436 4.986 4.550 -0.000 0.000 0.330 476 Y C 0.818 176.780 175.900 0.103 0.000 1.143 476 Y CA 0.196 58.340 58.100 0.074 0.000 1.318 476 Y CB 0.506 39.002 38.460 0.061 0.000 1.234 476 Y HN 0.141 nan 8.280 nan 0.000 0.522 477 G N 3.646 112.327 108.800 -0.199 0.000 2.650 477 G HA2 0.287 4.247 3.960 -0.000 0.000 0.310 477 G HA3 0.287 4.247 3.960 -0.000 0.000 0.310 477 G C -2.520 172.345 174.900 -0.058 0.000 1.270 477 G CA -0.844 44.215 45.100 -0.068 0.000 0.810 477 G HN 0.576 nan 8.290 nan 0.000 0.493 478 Y N 1.208 121.456 120.300 -0.087 0.000 2.350 478 Y HA 0.669 5.219 4.550 -0.001 0.000 0.338 478 Y C -0.679 175.110 175.900 -0.185 0.000 0.961 478 Y CA -1.615 56.367 58.100 -0.197 0.000 1.100 478 Y CB 2.044 40.429 38.460 -0.125 0.000 1.179 478 Y HN 0.470 nan 8.280 nan 0.000 0.454 479 N N 4.955 123.177 118.700 -0.796 0.000 2.678 479 N HA 0.263 5.003 4.740 -0.000 0.000 0.231 479 N C 0.673 175.630 175.510 -0.922 0.000 1.038 479 N CA 0.468 53.150 53.050 -0.614 0.000 0.932 479 N CB 0.990 39.259 38.487 -0.363 0.000 1.176 479 N HN 0.892 nan 8.380 nan 0.000 0.511 480 A N 3.546 125.871 122.820 -0.824 0.000 2.023 480 A HA -0.253 4.066 4.320 -0.000 0.000 0.223 480 A C 2.091 179.498 177.584 -0.295 0.000 1.180 480 A CA 2.290 54.031 52.037 -0.493 0.000 0.659 480 A CB -0.919 17.992 19.000 -0.149 0.000 0.817 480 A HN 0.739 nan 8.150 nan 0.000 0.466 481 A N -1.242 121.429 122.820 -0.248 0.000 1.930 481 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 481 A C 2.160 179.651 177.584 -0.155 0.000 1.175 481 A CA 2.230 54.173 52.037 -0.156 0.000 0.627 481 A CB -0.715 18.212 19.000 -0.122 0.000 0.815 481 A HN 0.999 nan 8.150 nan 0.000 0.443 482 T N -2.776 111.648 114.554 -0.216 0.000 3.132 482 T HA 0.233 4.583 4.350 -0.000 0.000 0.274 482 T C 0.097 174.679 174.700 -0.197 0.000 1.011 482 T CA 0.543 62.541 62.100 -0.169 0.000 0.899 482 T CB -0.416 68.365 68.868 -0.145 0.000 1.089 482 T HN 0.604 nan 8.240 nan 0.000 0.543 483 E N 0.448 120.467 120.200 -0.301 0.000 2.294 483 E HA -0.240 4.109 4.350 -0.000 0.000 0.228 483 E C -0.661 175.804 176.600 -0.225 0.000 1.253 483 E CA 0.696 56.949 56.400 -0.245 0.000 0.716 483 E CB -2.135 27.583 29.700 0.030 0.000 1.184 483 E HN 0.727 nan 8.360 nan 0.000 0.374 484 E N -0.185 119.794 120.200 -0.368 0.000 2.187 484 E HA 0.409 4.759 4.350 -0.000 0.000 0.268 484 E C -0.729 175.686 176.600 -0.308 0.000 0.896 484 E CA -0.714 55.536 56.400 -0.249 0.000 0.766 484 E CB 0.996 30.625 29.700 -0.119 0.000 1.142 484 E HN 0.129 nan 8.360 nan 0.000 0.408 485 Y N 1.083 121.387 120.300 0.006 0.000 2.314 485 Y HA 0.599 5.148 4.550 -0.000 0.000 0.334 485 Y C 1.235 177.030 175.900 -0.176 0.000 1.266 485 Y CA 0.520 58.516 58.100 -0.174 0.000 1.391 485 Y CB 1.265 39.576 38.460 -0.247 0.000 1.306 485 Y HN 0.641 nan 8.280 nan 0.000 0.558 486 G N 0.566 109.261 108.800 -0.174 0.000 2.356 486 G HA2 0.005 3.964 3.960 -0.000 0.000 0.281 486 G HA3 0.005 3.964 3.960 -0.000 0.000 0.281 486 G C -1.909 173.037 174.900 0.075 0.000 1.246 486 G CA -1.080 44.045 45.100 0.042 0.000 0.889 486 G HN 0.547 nan 8.290 nan 0.000 0.486 487 N N 1.150 119.920 118.700 0.117 0.000 2.485 487 N HA 0.170 4.910 4.740 -0.000 0.000 0.243 487 N C 1.665 177.201 175.510 0.045 0.000 0.987 487 N CA -0.612 52.508 53.050 0.117 0.000 0.940 487 N CB 0.890 39.444 38.487 0.111 0.000 1.122 487 N HN 0.372 nan 8.380 nan 0.000 0.509 488 M N 3.207 122.821 119.600 0.025 0.000 2.146 488 M HA -0.222 4.258 4.480 -0.000 0.000 0.256 488 M C 1.601 177.901 176.300 0.001 0.000 1.075 488 M CA 1.482 56.779 55.300 -0.006 0.000 1.082 488 M CB -0.587 32.014 32.600 0.002 0.000 1.355 488 M HN 0.595 nan 8.290 nan 0.000 0.402 489 I N -0.155 120.426 120.570 0.018 0.000 2.206 489 I HA -0.241 3.929 4.170 -0.000 0.000 0.239 489 I C 1.945 178.068 176.117 0.011 0.000 1.078 489 I CA 1.024 62.333 61.300 0.014 0.000 1.367 489 I CB -0.401 37.612 38.000 0.022 0.000 1.078 489 I HN 0.168 nan 8.210 nan 0.000 0.413 490 D N 0.890 121.301 120.400 0.019 0.000 2.133 490 D HA -0.246 4.394 4.640 -0.000 0.000 0.192 490 D C 2.056 178.358 176.300 0.003 0.000 1.001 490 D CA 1.722 55.731 54.000 0.016 0.000 0.844 490 D CB -0.326 40.490 40.800 0.028 0.000 0.944 490 D HN 0.317 nan 8.370 nan 0.000 0.447 491 M N -0.762 118.835 119.600 -0.005 0.000 2.700 491 M HA 0.107 4.587 4.480 -0.000 0.000 0.249 491 M C 1.113 177.394 176.300 -0.032 0.000 1.082 491 M CA 0.833 56.118 55.300 -0.025 0.000 1.077 491 M CB 0.117 32.687 32.600 -0.049 0.000 1.477 491 M HN 0.133 nan 8.290 nan 0.000 0.529 492 G N 1.469 110.257 108.800 -0.021 0.000 2.160 492 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 492 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 492 G C -0.218 174.666 174.900 -0.026 0.000 1.022 492 G CA -0.408 44.680 45.100 -0.020 0.000 0.741 492 G HN 0.372 nan 8.290 nan 0.000 0.508 493 I N 1.581 122.133 120.570 -0.030 0.000 2.557 493 I HA 0.479 4.649 4.170 -0.000 0.000 0.277 493 I C 0.477 176.583 176.117 -0.018 0.000 1.106 493 I CA -1.296 59.983 61.300 -0.034 0.000 1.180 493 I CB 0.378 38.343 38.000 -0.057 0.000 1.392 493 I HN 0.414 nan 8.210 nan 0.000 0.506 494 L N 1.999 123.217 121.223 -0.010 0.000 2.333 494 L HA 0.854 5.194 4.340 -0.000 0.000 0.263 494 L C -1.369 175.502 176.870 0.002 0.000 1.014 494 L CA -0.559 54.282 54.840 0.000 0.000 0.820 494 L CB 3.106 45.167 42.059 0.004 0.000 1.352 494 L HN 0.056 nan 8.230 nan 0.000 0.421 495 D N 1.353 121.757 120.400 0.008 0.000 2.646 495 D HA 0.504 5.144 4.640 -0.000 0.000 0.245 495 D C -2.649 173.658 176.300 0.012 0.000 1.099 495 D CA -1.231 52.774 54.000 0.008 0.000 0.849 495 D CB 2.468 43.273 40.800 0.009 0.000 1.448 495 D HN 0.380 nan 8.370 nan 0.000 0.489 496 P HA 0.018 nan 4.420 nan 0.000 0.266 496 P C 0.858 178.168 177.300 0.018 0.000 1.193 496 P CA 0.120 63.230 63.100 0.017 0.000 0.770 496 P CB 0.696 32.407 31.700 0.019 0.000 0.836 497 T N 1.661 116.226 114.554 0.019 0.000 2.746 497 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 497 T C 1.646 176.359 174.700 0.021 0.000 1.039 497 T CA 1.234 63.346 62.100 0.019 0.000 1.142 497 T CB -0.347 68.531 68.868 0.018 0.000 0.866 497 T HN 0.469 nan 8.240 nan 0.000 0.444 498 K N 0.575 120.988 120.400 0.023 0.000 2.059 498 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 498 K C 2.413 179.031 176.600 0.031 0.000 1.050 498 K CA 1.791 58.094 56.287 0.027 0.000 0.927 498 K CB -0.514 32.004 32.500 0.029 0.000 0.714 498 K HN 0.294 nan 8.250 nan 0.000 0.447 499 V N -0.165 119.762 119.914 0.023 0.000 2.307 499 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 499 V C 1.765 177.875 176.094 0.027 0.000 1.045 499 V CA 2.468 64.780 62.300 0.020 0.000 1.024 499 V CB -0.652 31.171 31.823 -0.001 0.000 0.651 499 V HN 0.367 nan 8.190 nan 0.000 0.449 500 T N 0.684 115.252 114.554 0.024 0.000 2.720 500 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 500 T C 1.936 176.656 174.700 0.032 0.000 1.037 500 T CA 2.250 64.365 62.100 0.026 0.000 1.144 500 T CB -0.402 68.480 68.868 0.023 0.000 0.864 500 T HN 0.661 nan 8.240 nan 0.000 0.444 501 R N 0.967 121.485 120.500 0.030 0.000 2.075 501 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 501 R C 2.596 178.921 176.300 0.042 0.000 1.140 501 R CA 1.951 58.067 56.100 0.026 0.000 0.928 501 R CB -0.627 29.683 30.300 0.016 0.000 0.834 501 R HN 0.220 nan 8.270 nan 0.000 0.429 502 S N 0.801 116.543 115.700 0.070 0.000 2.381 502 S HA -0.278 4.192 4.470 -0.000 0.000 0.230 502 S C 2.075 176.802 174.600 0.212 0.000 1.052 502 S CA 1.616 59.910 58.200 0.157 0.000 1.068 502 S CB -0.547 62.763 63.200 0.184 0.000 0.918 502 S HN 0.629 nan 8.310 nan 0.000 0.448 503 A N 1.063 123.960 122.820 0.128 0.000 1.917 503 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 503 A C 2.156 179.801 177.584 0.103 0.000 1.182 503 A CA 1.476 53.576 52.037 0.106 0.000 0.633 503 A CB -0.725 18.308 19.000 0.054 0.000 0.819 503 A HN 0.479 nan 8.150 nan 0.000 0.448 504 L N -1.221 120.042 121.223 0.067 0.000 2.072 504 L HA -0.185 4.154 4.340 -0.000 0.000 0.205 504 L C 2.808 179.696 176.870 0.030 0.000 1.079 504 L CA 1.679 56.544 54.840 0.042 0.000 0.752 504 L CB -0.442 41.631 42.059 0.023 0.000 0.906 504 L HN 0.521 nan 8.230 nan 0.000 0.436 505 Q N -1.385 118.416 119.800 0.001 0.000 2.119 505 Q HA -0.226 4.114 4.340 -0.000 0.000 0.201 505 Q C 1.951 177.892 176.000 -0.099 0.000 0.972 505 Q CA 1.697 57.448 55.803 -0.086 0.000 0.847 505 Q CB -0.053 28.583 28.738 -0.171 0.000 0.903 505 Q HN 0.453 nan 8.270 nan 0.000 0.433 506 Y N -0.369 119.930 120.300 -0.000 0.000 2.314 506 Y HA -0.072 4.478 4.550 -0.000 0.000 0.293 506 Y C 2.189 178.089 175.900 -0.000 0.000 1.129 506 Y CA 0.947 59.046 58.100 -0.001 0.000 1.201 506 Y CB -0.208 38.250 38.460 -0.004 0.000 0.999 506 Y HN 0.121 nan 8.280 nan 0.000 0.541 507 A N -0.488 122.425 122.820 0.154 0.000 2.014 507 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 507 A C 2.341 179.960 177.584 0.059 0.000 1.163 507 A CA 1.359 53.451 52.037 0.091 0.000 0.652 507 A CB -0.923 18.113 19.000 0.061 0.000 0.808 507 A HN 0.344 nan 8.150 nan 0.000 0.449 508 A N -0.409 122.433 122.820 0.037 0.000 2.014 508 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 508 A C 2.403 179.994 177.584 0.012 0.000 1.163 508 A CA 1.812 53.858 52.037 0.015 0.000 0.652 508 A CB -0.680 18.319 19.000 -0.002 0.000 0.808 508 A HN 0.667 nan 8.150 nan 0.000 0.449 509 S N -0.519 115.188 115.700 0.012 0.000 2.345 509 S HA -0.129 4.341 4.470 -0.000 0.000 0.220 509 S C 1.963 176.583 174.600 0.032 0.000 1.031 509 S CA 1.728 59.932 58.200 0.007 0.000 0.996 509 S CB -0.650 62.543 63.200 -0.011 0.000 0.882 509 S HN 0.594 nan 8.310 nan 0.000 0.445 510 V N 1.670 121.618 119.914 0.057 0.000 2.548 510 V HA 0.109 4.229 4.120 -0.000 0.000 0.249 510 V C 2.654 178.769 176.094 0.036 0.000 1.055 510 V CA 1.794 64.125 62.300 0.052 0.000 1.065 510 V CB -1.061 30.799 31.823 0.062 0.000 0.681 510 V HN 0.634 nan 8.190 nan 0.000 0.462 511 A N 0.258 123.098 122.820 0.032 0.000 1.873 511 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 511 A C 2.395 179.990 177.584 0.019 0.000 1.186 511 A CA 1.834 53.885 52.037 0.024 0.000 0.616 511 A CB -1.556 17.457 19.000 0.021 0.000 0.823 511 A HN 0.639 nan 8.150 nan 0.000 0.442 512 G N 0.151 108.960 108.800 0.015 0.000 2.553 512 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 512 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 512 G C 1.400 176.308 174.900 0.014 0.000 1.195 512 G CA 1.402 46.509 45.100 0.012 0.000 0.779 512 G HN 0.330 nan 8.290 nan 0.000 0.577 513 L N 0.195 121.429 121.223 0.017 0.000 2.010 513 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 513 L C 3.074 179.956 176.870 0.019 0.000 1.077 513 L CA 1.801 56.652 54.840 0.019 0.000 0.773 513 L CB -0.808 41.265 42.059 0.024 0.000 0.892 513 L HN 0.291 nan 8.230 nan 0.000 0.436 514 M N -1.750 117.862 119.600 0.021 0.000 2.067 514 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 514 M C 2.230 178.541 176.300 0.018 0.000 1.069 514 M CA 1.724 57.036 55.300 0.020 0.000 1.117 514 M CB -0.329 32.284 32.600 0.021 0.000 1.334 514 M HN 0.163 nan 8.290 nan 0.000 0.407 515 I N 0.007 120.586 120.570 0.016 0.000 2.657 515 I HA -0.229 3.941 4.170 -0.000 0.000 0.261 515 I C 1.449 177.575 176.117 0.016 0.000 1.212 515 I CA 1.267 62.576 61.300 0.015 0.000 1.453 515 I CB -0.353 37.654 38.000 0.013 0.000 1.092 515 I HN 0.396 nan 8.210 nan 0.000 0.452 516 T N -3.979 110.585 114.554 0.016 0.000 3.215 516 T HA 0.202 4.552 4.350 -0.000 0.000 0.271 516 T C 0.485 175.198 174.700 0.021 0.000 1.012 516 T CA -0.324 61.787 62.100 0.018 0.000 0.899 516 T CB -0.236 68.641 68.868 0.015 0.000 1.089 516 T HN -0.085 nan 8.240 nan 0.000 0.552 517 T N 2.265 116.831 114.554 0.021 0.000 2.799 517 T HA 0.370 4.720 4.350 -0.000 0.000 0.286 517 T C 0.510 175.225 174.700 0.026 0.000 0.973 517 T CA -0.486 61.626 62.100 0.020 0.000 1.035 517 T CB 1.647 70.525 68.868 0.018 0.000 0.932 517 T HN 0.028 nan 8.240 nan 0.000 0.469 518 E N 0.445 120.663 120.200 0.031 0.000 2.434 518 E HA 0.197 4.547 4.350 -0.000 0.000 0.207 518 E C 0.217 176.838 176.600 0.034 0.000 0.929 518 E CA 0.117 56.553 56.400 0.060 0.000 1.001 518 E CB 0.660 30.416 29.700 0.093 0.000 1.016 518 E HN 0.572 nan 8.360 nan 0.000 0.502 519 C N 0.107 119.383 119.300 -0.040 0.000 3.090 519 C HA 0.754 5.214 4.460 -0.000 0.000 0.305 519 C C -1.449 173.460 174.990 -0.134 0.000 1.292 519 C CA -0.571 58.323 59.018 -0.207 0.000 1.482 519 C CB 0.838 28.424 27.740 -0.256 0.000 1.897 519 C HN 0.181 nan 8.230 nan 0.000 0.469 520 M N 4.435 123.945 119.600 -0.149 0.000 2.221 520 M HA 0.402 4.881 4.480 -0.000 0.000 0.259 520 M C -1.265 175.097 176.300 0.103 0.000 1.001 520 M CA -0.280 55.052 55.300 0.053 0.000 1.009 520 M CB 1.840 34.579 32.600 0.231 0.000 1.939 520 M HN 0.423 nan 8.290 nan 0.000 0.477 521 V N 1.561 121.477 119.914 0.004 0.000 2.667 521 V HA 0.914 5.034 4.120 -0.000 0.000 0.308 521 V C -0.040 175.973 176.094 -0.134 0.000 1.048 521 V CA -0.269 62.008 62.300 -0.040 0.000 0.928 521 V CB 2.171 33.966 31.823 -0.047 0.000 1.004 521 V HN 0.927 nan 8.190 nan 0.000 0.444 522 T N 1.379 115.821 114.554 -0.187 0.000 2.676 522 T HA 0.191 4.541 4.350 -0.000 0.000 0.308 522 T C -1.876 172.705 174.700 -0.198 0.000 1.740 522 T CA -0.655 61.281 62.100 -0.273 0.000 0.982 522 T CB 1.615 70.143 68.868 -0.566 0.000 1.724 522 T HN 0.714 nan 8.240 nan 0.000 0.497 523 D N 1.398 121.696 120.400 -0.170 0.000 2.354 523 D HA 0.335 4.975 4.640 -0.000 0.000 0.247 523 D C 0.205 176.451 176.300 -0.090 0.000 1.138 523 D CA -0.323 53.616 54.000 -0.103 0.000 0.958 523 D CB 0.883 41.638 40.800 -0.075 0.000 1.144 523 D HN 0.400 nan 8.370 nan 0.000 0.458 524 L N 2.080 123.277 121.223 -0.043 0.000 2.456 524 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 524 L C -1.425 175.435 176.870 -0.017 0.000 1.189 524 L CA -1.355 53.476 54.840 -0.015 0.000 0.846 524 L CB 0.137 42.197 42.059 0.001 0.000 1.111 524 L HN 0.224 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.102 63.100 0.003 0.000 0.800 525 P CB 0.000 31.715 31.700 0.025 0.000 0.726