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 1gru_1_L 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 TDLPK 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 A N 3.367 126.183 122.820 -0.006 0.000 2.450 3 A HA 0.598 4.918 4.320 -0.000 0.000 0.255 3 A C 0.386 177.966 177.584 -0.007 0.000 1.096 3 A CA 0.083 52.119 52.037 -0.000 0.000 0.778 3 A CB 0.180 19.183 19.000 0.004 0.000 1.031 3 A HN 0.604 nan 8.150 nan 0.000 0.494 4 K N 1.379 121.780 120.400 0.001 0.000 2.132 4 K HA 0.438 4.758 4.320 -0.000 0.000 0.241 4 K C -0.906 175.703 176.600 0.014 0.000 1.000 4 K CA -0.674 55.608 56.287 -0.008 0.000 0.911 4 K CB 1.056 33.556 32.500 0.000 0.000 1.093 4 K HN 0.725 nan 8.250 nan 0.000 0.460 5 D N 0.660 121.060 120.400 0.001 0.000 2.308 5 D HA 0.360 5.000 4.640 -0.000 0.000 0.242 5 D C -1.355 175.080 176.300 0.225 0.000 1.059 5 D CA -0.640 53.406 54.000 0.077 0.000 0.830 5 D CB 1.236 42.028 40.800 -0.013 0.000 1.161 5 D HN 0.064 nan 8.370 nan 0.000 0.494 6 V N 4.363 124.440 119.914 0.272 0.000 2.531 6 V HA 0.459 4.579 4.120 -0.000 0.000 0.301 6 V C 0.112 176.322 176.094 0.193 0.000 1.034 6 V CA -0.804 61.637 62.300 0.235 0.000 0.865 6 V CB 1.834 33.729 31.823 0.120 0.000 0.995 6 V HN 0.415 nan 8.190 nan 0.000 0.424 7 K N 3.378 123.743 120.400 -0.057 0.000 2.281 7 K HA 0.793 5.113 4.320 -0.000 0.000 0.242 7 K C -1.574 174.886 176.600 -0.234 0.000 0.971 7 K CA -0.566 55.640 56.287 -0.135 0.000 0.834 7 K CB 2.397 34.563 32.500 -0.556 0.000 1.181 7 K HN 0.416 nan 8.250 nan 0.000 0.435 8 F N -0.500 119.377 119.950 -0.122 0.000 2.631 8 F HA 0.407 4.934 4.527 -0.000 0.000 0.328 8 F C 1.318 177.066 175.800 -0.086 0.000 1.067 8 F CA -0.129 57.822 58.000 -0.082 0.000 0.969 8 F CB 1.009 39.982 39.000 -0.046 0.000 1.332 8 F HN 0.809 nan 8.300 nan 0.000 0.490 9 G N 1.609 110.498 108.800 0.149 0.000 2.685 9 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.357 9 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.357 9 G C 1.123 176.027 174.900 0.007 0.000 1.272 9 G CA 1.375 46.512 45.100 0.062 0.000 0.972 9 G HN 0.682 nan 8.290 nan 0.000 0.550 10 N N 1.278 119.980 118.700 0.004 0.000 2.013 10 N HA -0.036 4.704 4.740 -0.000 0.000 0.195 10 N C 1.848 177.332 175.510 -0.043 0.000 1.051 10 N CA 1.890 54.929 53.050 -0.018 0.000 0.851 10 N CB -0.718 37.762 38.487 -0.011 0.000 1.044 10 N HN 0.632 nan 8.380 nan 0.000 0.422 11 D N 0.126 120.503 120.400 -0.037 0.000 2.242 11 D HA -0.265 4.375 4.640 -0.000 0.000 0.190 11 D C 1.702 177.901 176.300 -0.169 0.000 1.012 11 D CA 2.012 55.967 54.000 -0.076 0.000 0.875 11 D CB -0.445 40.328 40.800 -0.045 0.000 0.922 11 D HN 0.403 nan 8.370 nan 0.000 0.448 12 A N 0.302 123.016 122.820 -0.177 0.000 1.841 12 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 12 A C 2.149 179.628 177.584 -0.176 0.000 1.195 12 A CA 1.517 53.392 52.037 -0.272 0.000 0.611 12 A CB -0.460 18.410 19.000 -0.217 0.000 0.835 12 A HN 0.093 nan 8.150 nan 0.000 0.443 13 R N -0.559 119.882 120.500 -0.099 0.000 2.083 13 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 13 R C 2.077 178.347 176.300 -0.050 0.000 1.137 13 R CA 1.568 57.632 56.100 -0.060 0.000 0.951 13 R CB -0.830 29.449 30.300 -0.035 0.000 0.851 13 R HN 0.384 nan 8.270 nan 0.000 0.434 14 V N 1.804 121.687 119.914 -0.051 0.000 2.252 14 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 14 V C 2.386 178.461 176.094 -0.032 0.000 1.056 14 V CA 1.785 64.064 62.300 -0.035 0.000 1.022 14 V CB -0.454 31.349 31.823 -0.032 0.000 0.641 14 V HN 0.259 nan 8.190 nan 0.000 0.445 15 K N -0.561 119.806 120.400 -0.055 0.000 2.020 15 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 15 K C 2.142 178.745 176.600 0.006 0.000 1.050 15 K CA 1.876 58.151 56.287 -0.020 0.000 0.929 15 K CB -0.694 31.775 32.500 -0.051 0.000 0.714 15 K HN 0.421 nan 8.250 nan 0.000 0.443 16 M N 0.216 119.808 119.600 -0.014 0.000 2.144 16 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 16 M C 2.192 178.495 176.300 0.005 0.000 1.067 16 M CA 1.220 56.523 55.300 0.004 0.000 1.095 16 M CB -0.319 32.274 32.600 -0.012 0.000 1.365 16 M HN 0.068 nan 8.290 nan 0.000 0.406 17 L N 0.320 121.541 121.223 -0.003 0.000 2.007 17 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 17 L C 2.354 179.228 176.870 0.005 0.000 1.073 17 L CA 1.833 56.672 54.840 -0.000 0.000 0.744 17 L CB -0.593 41.463 42.059 -0.004 0.000 0.898 17 L HN 0.123 nan 8.230 nan 0.000 0.435 18 R N -0.305 120.199 120.500 0.007 0.000 2.094 18 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 18 R C 2.221 178.529 176.300 0.015 0.000 1.137 18 R CA 1.463 57.570 56.100 0.011 0.000 0.943 18 R CB -1.449 28.860 30.300 0.015 0.000 0.850 18 R HN 0.592 nan 8.270 nan 0.000 0.433 19 G N 0.998 109.811 108.800 0.022 0.000 2.631 19 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.219 19 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.219 19 G C 1.464 176.373 174.900 0.015 0.000 1.214 19 G CA 1.342 46.457 45.100 0.025 0.000 0.785 19 G HN 0.314 nan 8.290 nan 0.000 0.596 20 V N 1.210 121.131 119.914 0.012 0.000 2.231 20 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 20 V C 2.251 178.349 176.094 0.006 0.000 1.054 20 V CA 3.018 65.322 62.300 0.007 0.000 1.015 20 V CB -1.045 30.782 31.823 0.005 0.000 0.638 20 V HN 0.595 nan 8.190 nan 0.000 0.444 21 N N -0.375 118.329 118.700 0.006 0.000 2.064 21 N HA -0.257 4.483 4.740 -0.000 0.000 0.200 21 N C 1.813 177.326 175.510 0.005 0.000 1.028 21 N CA 2.408 55.461 53.050 0.005 0.000 0.880 21 N CB -0.465 38.026 38.487 0.005 0.000 1.062 21 N HN 0.464 nan 8.380 nan 0.000 0.454 22 V N 2.051 121.969 119.914 0.006 0.000 2.222 22 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 22 V C 2.308 178.403 176.094 0.003 0.000 1.060 22 V CA 1.695 63.998 62.300 0.005 0.000 1.027 22 V CB -0.834 30.992 31.823 0.006 0.000 0.644 22 V HN 0.420 nan 8.190 nan 0.000 0.448 23 L N 0.157 121.382 121.223 0.002 0.000 1.976 23 L HA -0.288 4.052 4.340 -0.000 0.000 0.223 23 L C 2.535 179.405 176.870 -0.000 0.000 1.081 23 L CA 3.132 57.972 54.840 -0.000 0.000 0.784 23 L CB -1.305 40.753 42.059 -0.001 0.000 0.896 23 L HN 0.411 nan 8.230 nan 0.000 0.438 24 A N -0.577 122.243 122.820 0.001 0.000 1.877 24 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 24 A C 1.875 179.460 177.584 0.002 0.000 1.186 24 A CA 1.765 53.803 52.037 0.001 0.000 0.620 24 A CB -0.692 18.309 19.000 0.003 0.000 0.822 24 A HN 0.590 nan 8.150 nan 0.000 0.443 25 D N -0.011 120.391 120.400 0.002 0.000 2.178 25 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 25 D C 2.104 178.405 176.300 0.001 0.000 0.980 25 D CA 1.417 55.419 54.000 0.002 0.000 0.842 25 D CB -0.234 40.567 40.800 0.003 0.000 0.948 25 D HN 0.460 nan 8.370 nan 0.000 0.472 26 A N 0.323 123.143 122.820 0.001 0.000 1.935 26 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 26 A C 2.268 179.852 177.584 -0.001 0.000 1.178 26 A CA 0.672 52.709 52.037 -0.000 0.000 0.640 26 A CB -0.335 18.664 19.000 -0.000 0.000 0.825 26 A HN 0.178 nan 8.150 nan 0.000 0.447 27 V N 0.931 120.844 119.914 -0.001 0.000 3.052 27 V HA -0.103 4.017 4.120 -0.000 0.000 0.254 27 V C 2.321 178.414 176.094 -0.002 0.000 1.100 27 V CA 1.922 64.221 62.300 -0.002 0.000 1.112 27 V CB -0.453 31.368 31.823 -0.004 0.000 0.738 27 V HN 0.783 nan 8.190 nan 0.000 0.469 28 K N 0.823 121.222 120.400 -0.000 0.000 2.148 28 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 28 K C 1.737 178.337 176.600 -0.000 0.000 1.050 28 K CA 1.841 58.128 56.287 0.000 0.000 0.942 28 K CB -0.972 31.529 32.500 0.002 0.000 0.724 28 K HN 0.490 nan 8.250 nan 0.000 0.446 29 V N 0.403 120.317 119.914 -0.000 0.000 3.186 29 V HA -0.117 4.003 4.120 -0.000 0.000 0.270 29 V C 1.667 177.760 176.094 -0.002 0.000 1.149 29 V CA 1.677 63.977 62.300 -0.000 0.000 1.160 29 V CB -1.322 30.501 31.823 0.000 0.000 0.758 29 V HN 0.556 nan 8.190 nan 0.000 0.516 30 T N -3.677 110.875 114.554 -0.003 0.000 3.214 30 T HA 0.319 4.669 4.350 -0.000 0.000 0.264 30 T C 1.110 175.805 174.700 -0.007 0.000 1.012 30 T CA 0.219 62.316 62.100 -0.005 0.000 0.901 30 T CB 0.630 69.495 68.868 -0.005 0.000 1.070 30 T HN 0.309 nan 8.240 nan 0.000 0.561 31 L N 2.554 123.773 121.223 -0.006 0.000 1.993 31 L HA 0.450 4.790 4.340 -0.000 0.000 0.206 31 L C 1.686 178.548 176.870 -0.013 0.000 1.074 31 L CA 1.450 56.285 54.840 -0.008 0.000 0.746 31 L CB -1.308 40.748 42.059 -0.005 0.000 0.896 31 L HN 0.438 nan 8.230 nan 0.000 0.435 32 G N -0.582 108.209 108.800 -0.014 0.000 2.785 32 G HA2 0.038 3.998 3.960 -0.000 0.000 0.256 32 G HA3 0.038 3.998 3.960 -0.000 0.000 0.256 32 G C -1.728 173.154 174.900 -0.029 0.000 1.248 32 G CA 0.161 45.247 45.100 -0.024 0.000 0.914 32 G HN 0.404 nan 8.290 nan 0.000 0.580 33 P HA 0.045 nan 4.420 nan 0.000 0.227 33 P C 0.546 177.825 177.300 -0.034 0.000 1.161 33 P CA 0.985 64.060 63.100 -0.042 0.000 0.788 33 P CB 0.436 32.099 31.700 -0.062 0.000 0.822 34 K N 0.769 121.149 120.400 -0.033 0.000 3.147 34 K HA 0.344 4.664 4.320 -0.000 0.000 0.214 34 K C 0.770 177.361 176.600 -0.014 0.000 1.221 34 K CA -0.416 55.857 56.287 -0.023 0.000 1.117 34 K CB 0.620 33.107 32.500 -0.022 0.000 1.278 34 K HN 0.027 nan 8.250 nan 0.000 0.479 35 G N 0.800 109.592 108.800 -0.013 0.000 2.537 35 G HA2 0.204 4.164 3.960 -0.000 0.000 0.273 35 G HA3 0.204 4.164 3.960 -0.000 0.000 0.273 35 G C 0.080 174.977 174.900 -0.006 0.000 1.189 35 G CA -0.584 44.511 45.100 -0.009 0.000 0.881 35 G HN 0.170 nan 8.290 nan 0.000 0.535 36 R N -0.484 120.014 120.500 -0.003 0.000 2.541 36 R HA 0.273 4.613 4.340 -0.000 0.000 0.263 36 R C 0.430 176.728 176.300 -0.003 0.000 1.112 36 R CA -0.547 55.551 56.100 -0.002 0.000 1.170 36 R CB 0.344 30.644 30.300 -0.001 0.000 1.167 36 R HN 0.860 nan 8.270 nan 0.000 0.582 37 N N -1.222 117.477 118.700 -0.002 0.000 2.362 37 N HA 0.536 5.276 4.740 -0.000 0.000 0.299 37 N C -0.988 174.522 175.510 -0.001 0.000 1.170 37 N CA -0.868 52.181 53.050 -0.002 0.000 0.825 37 N CB 1.771 40.258 38.487 -0.001 0.000 1.299 37 N HN 0.042 nan 8.380 nan 0.000 0.502 38 V N 0.777 120.690 119.914 -0.001 0.000 2.815 38 V HA 0.388 4.508 4.120 -0.000 0.000 0.314 38 V C -0.163 175.931 176.094 0.000 0.000 1.064 38 V CA -0.833 61.467 62.300 -0.000 0.000 0.952 38 V CB 1.957 33.779 31.823 -0.001 0.000 1.020 38 V HN 0.485 nan 8.190 nan 0.000 0.439 39 V N 4.778 124.692 119.914 0.001 0.000 2.370 39 V HA 0.402 4.522 4.120 -0.000 0.000 0.283 39 V C -0.531 175.564 176.094 0.002 0.000 1.023 39 V CA -0.541 61.760 62.300 0.001 0.000 0.857 39 V CB 1.456 33.280 31.823 0.001 0.000 0.985 39 V HN 0.497 nan 8.190 nan 0.000 0.443 40 L N 3.834 125.059 121.223 0.004 0.000 2.283 40 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 40 L C 0.074 176.948 176.870 0.008 0.000 1.033 40 L CA -0.184 54.658 54.840 0.005 0.000 0.848 40 L CB 0.734 42.797 42.059 0.006 0.000 1.226 40 L HN 0.666 nan 8.230 nan 0.000 0.429 41 D N 3.283 123.686 120.400 0.004 0.000 2.458 41 D HA 0.047 4.687 4.640 -0.000 0.000 0.243 41 D C 0.030 176.337 176.300 0.011 0.000 1.146 41 D CA 0.631 54.633 54.000 0.003 0.000 0.877 41 D CB 0.929 41.725 40.800 -0.006 0.000 1.176 41 D HN 0.313 nan 8.370 nan 0.000 0.461 42 K N 1.896 122.309 120.400 0.021 0.000 2.123 42 K HA 0.257 4.577 4.320 -0.000 0.000 0.259 42 K C 1.013 177.630 176.600 0.028 0.000 0.960 42 K CA -0.655 55.661 56.287 0.049 0.000 0.872 42 K CB 1.407 33.951 32.500 0.073 0.000 1.079 42 K HN 0.361 nan 8.250 nan 0.000 0.440 43 S N 1.691 117.416 115.700 0.040 0.000 2.348 43 S HA -0.055 4.415 4.470 -0.000 0.000 0.221 43 S C 0.261 174.715 174.600 -0.242 0.000 1.033 43 S CA 1.175 59.289 58.200 -0.143 0.000 1.010 43 S CB -0.126 62.953 63.200 -0.202 0.000 0.891 43 S HN 0.383 nan 8.310 nan 0.000 0.442 44 F N 1.558 121.505 119.950 -0.006 0.000 2.404 44 F HA 0.621 5.148 4.527 0.000 0.000 0.354 44 F C 1.114 176.912 175.800 -0.005 0.000 1.122 44 F CA -0.116 57.881 58.000 -0.005 0.000 1.080 44 F CB 0.569 39.566 39.000 -0.005 0.000 1.131 44 F HN 0.417 nan 8.300 nan 0.000 0.471 45 G N 1.402 110.284 108.800 0.136 0.000 2.568 45 G HA2 0.156 4.116 3.960 -0.000 0.000 0.222 45 G HA3 0.156 4.116 3.960 -0.000 0.000 0.222 45 G C -0.562 174.367 174.900 0.049 0.000 1.321 45 G CA -0.654 44.497 45.100 0.085 0.000 0.893 45 G HN 1.082 nan 8.290 nan 0.000 0.569 46 A N 2.038 124.882 122.820 0.040 0.000 2.425 46 A HA 0.692 5.012 4.320 -0.000 0.000 0.249 46 A C -0.570 177.030 177.584 0.025 0.000 1.084 46 A CA 0.124 52.176 52.037 0.025 0.000 0.781 46 A CB -0.152 18.860 19.000 0.020 0.000 1.019 46 A HN 0.913 nan 8.150 nan 0.000 0.490 47 P HA 0.151 nan 4.420 nan 0.000 0.272 47 P C -0.357 176.952 177.300 0.015 0.000 1.248 47 P CA 0.114 63.223 63.100 0.014 0.000 0.799 47 P CB 0.364 32.069 31.700 0.007 0.000 0.997 48 T N 0.830 115.392 114.554 0.013 0.000 2.792 48 T HA 0.530 4.880 4.350 -0.000 0.000 0.280 48 T C 0.200 174.904 174.700 0.007 0.000 0.990 48 T CA -0.361 61.746 62.100 0.011 0.000 0.960 48 T CB 0.399 69.275 68.868 0.012 0.000 0.939 48 T HN 0.190 nan 8.240 nan 0.000 0.439 49 I N 2.530 123.103 120.570 0.005 0.000 2.392 49 I HA 0.664 4.834 4.170 -0.000 0.000 0.295 49 I C 0.474 176.592 176.117 0.002 0.000 0.985 49 I CA -0.466 60.836 61.300 0.003 0.000 1.221 49 I CB 1.893 39.895 38.000 0.002 0.000 1.366 49 I HN 0.544 nan 8.210 nan 0.000 0.467 50 T N 3.837 118.391 114.554 0.001 0.000 2.786 50 T HA 0.332 4.682 4.350 -0.000 0.000 0.316 50 T C -0.498 174.201 174.700 -0.002 0.000 1.503 50 T CA -0.645 61.455 62.100 -0.000 0.000 1.019 50 T CB 1.609 70.478 68.868 0.000 0.000 1.415 50 T HN 0.703 nan 8.240 nan 0.000 0.496 51 K N 0.854 121.252 120.400 -0.003 0.000 2.447 51 K HA 0.217 4.537 4.320 -0.000 0.000 0.205 51 K C -0.667 175.930 176.600 -0.005 0.000 1.059 51 K CA -0.303 55.982 56.287 -0.004 0.000 1.065 51 K CB 0.534 33.031 32.500 -0.006 0.000 0.885 51 K HN 0.454 nan 8.250 nan 0.000 0.545 52 D N 0.523 120.921 120.400 -0.004 0.000 2.352 52 D HA 0.084 4.724 4.640 -0.000 0.000 0.245 52 D C 1.249 177.546 176.300 -0.006 0.000 1.224 52 D CA -0.051 53.945 54.000 -0.006 0.000 0.879 52 D CB 1.115 41.912 40.800 -0.004 0.000 1.057 52 D HN 0.197 nan 8.370 nan 0.000 0.491 53 G N 2.642 111.438 108.800 -0.007 0.000 2.476 53 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 53 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 53 G C 1.611 176.506 174.900 -0.009 0.000 1.164 53 G CA 0.876 45.972 45.100 -0.007 0.000 0.768 53 G HN 0.490 nan 8.290 nan 0.000 0.560 54 V N 0.966 120.873 119.914 -0.011 0.000 2.278 54 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 54 V C 3.154 179.242 176.094 -0.009 0.000 1.062 54 V CA 2.444 64.736 62.300 -0.012 0.000 1.038 54 V CB -0.749 31.065 31.823 -0.015 0.000 0.646 54 V HN 0.403 nan 8.190 nan 0.000 0.447 55 S N -0.540 115.156 115.700 -0.006 0.000 2.343 55 S HA -0.189 4.281 4.470 -0.000 0.000 0.219 55 S C 1.971 176.569 174.600 -0.004 0.000 1.033 55 S CA 1.612 59.810 58.200 -0.004 0.000 1.014 55 S CB -0.366 62.834 63.200 -0.002 0.000 0.915 55 S HN 0.339 nan 8.310 nan 0.000 0.435 56 V N 2.402 122.314 119.914 -0.004 0.000 2.218 56 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 56 V C 2.661 178.752 176.094 -0.005 0.000 1.057 56 V CA 2.123 64.421 62.300 -0.003 0.000 1.022 56 V CB -1.473 30.348 31.823 -0.004 0.000 0.645 56 V HN 0.583 nan 8.190 nan 0.000 0.451 57 A N -0.109 122.707 122.820 -0.007 0.000 1.894 57 A HA -0.424 3.896 4.320 -0.000 0.000 0.220 57 A C 2.331 179.909 177.584 -0.010 0.000 1.237 57 A CA 3.212 55.243 52.037 -0.009 0.000 0.660 57 A CB -0.929 18.064 19.000 -0.012 0.000 0.835 57 A HN 0.582 nan 8.150 nan 0.000 0.461 58 R N -0.682 119.812 120.500 -0.010 0.000 2.159 58 R HA -0.279 4.061 4.340 -0.000 0.000 0.252 58 R C 1.963 178.259 176.300 -0.008 0.000 1.144 58 R CA 2.332 58.426 56.100 -0.009 0.000 0.961 58 R CB -0.320 29.976 30.300 -0.007 0.000 0.877 58 R HN 0.543 nan 8.270 nan 0.000 0.444 59 E N -0.045 120.151 120.200 -0.005 0.000 2.285 59 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 59 E C -0.025 176.571 176.600 -0.006 0.000 0.997 59 E CA 0.242 56.640 56.400 -0.004 0.000 0.845 59 E CB 0.120 29.820 29.700 -0.001 0.000 0.782 59 E HN 0.244 nan 8.360 nan 0.000 0.491 60 I N 2.105 122.671 120.570 -0.006 0.000 2.587 60 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 60 I C 0.209 176.321 176.117 -0.007 0.000 1.134 60 I CA 0.643 61.940 61.300 -0.006 0.000 1.410 60 I CB -0.090 37.907 38.000 -0.005 0.000 1.392 60 I HN 0.097 nan 8.210 nan 0.000 0.545 61 E N 7.540 127.736 120.200 -0.007 0.000 2.349 61 E HA 0.373 4.723 4.350 -0.000 0.000 0.290 61 E C -1.722 174.874 176.600 -0.007 0.000 0.901 61 E CA -0.554 55.841 56.400 -0.008 0.000 0.800 61 E CB 1.328 31.020 29.700 -0.012 0.000 1.303 61 E HN 0.467 nan 8.360 nan 0.000 0.397 62 L N 3.448 124.669 121.223 -0.003 0.000 2.421 62 L HA 0.358 4.698 4.340 -0.000 0.000 0.263 62 L C 1.650 178.517 176.870 -0.004 0.000 1.122 62 L CA -0.372 54.468 54.840 0.001 0.000 0.804 62 L CB 1.035 43.100 42.059 0.010 0.000 1.150 62 L HN 0.735 nan 8.230 nan 0.000 0.457 63 E N 0.716 120.914 120.200 -0.002 0.000 2.046 63 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 63 E C 0.532 177.126 176.600 -0.009 0.000 0.982 63 E CA 0.412 56.807 56.400 -0.008 0.000 0.800 63 E CB 0.240 29.937 29.700 -0.005 0.000 0.756 63 E HN 0.681 nan 8.360 nan 0.000 0.449 64 D N 1.676 122.082 120.400 0.010 0.000 2.349 64 D HA -0.027 4.613 4.640 -0.000 0.000 0.266 64 D C -0.496 175.815 176.300 0.020 0.000 1.293 64 D CA 0.215 54.232 54.000 0.027 0.000 0.926 64 D CB 0.475 41.312 40.800 0.063 0.000 1.090 64 D HN 0.077 nan 8.370 nan 0.000 0.502 65 K N 2.581 122.946 120.400 -0.058 0.000 2.229 65 K HA 0.021 4.341 4.320 -0.000 0.000 0.250 65 K C 0.756 177.357 176.600 0.003 0.000 1.016 65 K CA -0.423 55.789 56.287 -0.126 0.000 0.866 65 K CB 0.523 32.836 32.500 -0.311 0.000 1.028 65 K HN 0.364 nan 8.250 nan 0.000 0.514 66 F N -1.238 118.703 119.950 -0.015 0.000 2.540 66 F HA -0.375 4.152 4.527 -0.000 0.000 0.722 66 F C 1.774 177.566 175.800 -0.014 0.000 0.486 66 F CA 1.989 59.979 58.000 -0.017 0.000 0.756 66 F CB -1.333 37.660 39.000 -0.012 0.000 1.620 66 F HN 0.721 nan 8.300 nan 0.000 0.271 67 E N -0.011 120.322 120.200 0.222 0.000 2.077 67 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 67 E C 1.610 178.253 176.600 0.072 0.000 0.989 67 E CA 1.399 57.864 56.400 0.108 0.000 0.800 67 E CB -0.375 29.373 29.700 0.080 0.000 0.746 67 E HN 0.557 nan 8.360 nan 0.000 0.452 68 N N 0.493 119.228 118.700 0.059 0.000 2.166 68 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 68 N C 1.764 177.290 175.510 0.027 0.000 1.019 68 N CA 1.284 54.350 53.050 0.027 0.000 0.856 68 N CB 0.049 38.538 38.487 0.004 0.000 0.993 68 N HN 0.084 nan 8.380 nan 0.000 0.426 69 M N -0.567 119.062 119.600 0.049 0.000 2.059 69 M HA -0.033 4.447 4.480 -0.000 0.000 0.259 69 M C 2.370 178.691 176.300 0.035 0.000 1.072 69 M CA 1.718 57.044 55.300 0.043 0.000 1.117 69 M CB -1.057 31.591 32.600 0.081 0.000 1.320 69 M HN 0.291 nan 8.290 nan 0.000 0.408 70 G N 0.454 109.282 108.800 0.047 0.000 2.606 70 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.221 70 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.221 70 G C 1.623 176.531 174.900 0.014 0.000 1.152 70 G CA 1.719 46.835 45.100 0.027 0.000 0.765 70 G HN 0.574 nan 8.290 nan 0.000 0.595 71 A N -0.184 122.644 122.820 0.014 0.000 1.835 71 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 71 A C 2.417 179.998 177.584 -0.004 0.000 1.199 71 A CA 2.208 54.248 52.037 0.004 0.000 0.615 71 A CB -0.609 18.393 19.000 0.004 0.000 0.838 71 A HN 0.320 nan 8.150 nan 0.000 0.444 72 Q N -0.452 119.345 119.800 -0.005 0.000 2.133 72 Q HA -0.244 4.096 4.340 -0.000 0.000 0.208 72 Q C 2.171 178.159 176.000 -0.019 0.000 0.991 72 Q CA 1.973 57.768 55.803 -0.013 0.000 0.867 72 Q CB -0.685 28.046 28.738 -0.012 0.000 0.911 72 Q HN 0.796 nan 8.270 nan 0.000 0.417 73 M N -0.393 119.200 119.600 -0.013 0.000 2.073 73 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 73 M C 2.310 178.591 176.300 -0.031 0.000 1.070 73 M CA 1.440 56.729 55.300 -0.018 0.000 1.103 73 M CB -0.551 32.045 32.600 -0.007 0.000 1.321 73 M HN 0.002 nan 8.290 nan 0.000 0.405 74 V N 0.517 120.417 119.914 -0.023 0.000 2.223 74 V HA -0.292 3.828 4.120 -0.000 0.000 0.244 74 V C 2.191 178.257 176.094 -0.046 0.000 1.045 74 V CA 1.985 64.268 62.300 -0.029 0.000 1.000 74 V CB -0.843 30.971 31.823 -0.014 0.000 0.635 74 V HN 0.432 nan 8.190 nan 0.000 0.445 75 K N -0.188 120.190 120.400 -0.036 0.000 2.127 75 K HA -0.341 3.979 4.320 -0.000 0.000 0.212 75 K C 2.176 178.737 176.600 -0.065 0.000 1.050 75 K CA 2.374 58.636 56.287 -0.042 0.000 0.929 75 K CB -0.337 32.145 32.500 -0.031 0.000 0.715 75 K HN 0.621 nan 8.250 nan 0.000 0.457 76 E N 0.677 120.836 120.200 -0.069 0.000 2.012 76 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 76 E C 2.040 178.543 176.600 -0.162 0.000 1.007 76 E CA 1.634 57.979 56.400 -0.092 0.000 0.816 76 E CB -0.108 29.546 29.700 -0.077 0.000 0.762 76 E HN 0.160 nan 8.360 nan 0.000 0.451 77 V N 0.669 120.465 119.914 -0.196 0.000 2.490 77 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 77 V C 2.171 178.025 176.094 -0.399 0.000 1.061 77 V CA 2.073 64.145 62.300 -0.380 0.000 1.064 77 V CB -0.399 31.246 31.823 -0.297 0.000 0.670 77 V HN 0.472 nan 8.190 nan 0.000 0.461 78 A N -0.991 121.719 122.820 -0.184 0.000 2.015 78 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 78 A C 2.515 180.040 177.584 -0.098 0.000 1.163 78 A CA 2.034 54.012 52.037 -0.099 0.000 0.646 78 A CB -0.711 18.262 19.000 -0.046 0.000 0.806 78 A HN 0.615 nan 8.150 nan 0.000 0.448 79 S N -0.342 115.285 115.700 -0.122 0.000 2.362 79 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 79 S C 2.007 176.543 174.600 -0.106 0.000 1.032 79 S CA 1.402 59.549 58.200 -0.089 0.000 0.973 79 S CB -0.314 62.841 63.200 -0.074 0.000 0.849 79 S HN 0.579 nan 8.310 nan 0.000 0.465 80 K N 1.200 121.473 120.400 -0.211 0.000 2.089 80 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 80 K C 2.345 178.923 176.600 -0.036 0.000 1.048 80 K CA 1.294 57.445 56.287 -0.227 0.000 0.926 80 K CB -0.562 31.596 32.500 -0.569 0.000 0.714 80 K HN 0.472 nan 8.250 nan 0.000 0.448 81 A N 2.535 125.320 122.820 -0.057 0.000 1.842 81 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 81 A C 2.083 179.758 177.584 0.151 0.000 1.206 81 A CA 2.042 54.282 52.037 0.337 0.000 0.630 81 A CB -1.012 18.156 19.000 0.280 0.000 0.839 81 A HN 0.393 nan 8.150 nan 0.000 0.447 82 N N 0.230 118.957 118.700 0.046 0.000 2.091 82 N HA -0.235 4.505 4.740 -0.000 0.000 0.193 82 N C 1.210 176.715 175.510 -0.010 0.000 1.021 82 N CA 2.151 55.195 53.050 -0.010 0.000 0.862 82 N CB -0.571 37.890 38.487 -0.043 0.000 1.018 82 N HN 0.413 nan 8.380 nan 0.000 0.429 83 D N 0.255 120.662 120.400 0.011 0.000 2.149 83 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 83 D C 0.727 177.060 176.300 0.055 0.000 1.001 83 D CA 1.569 55.584 54.000 0.025 0.000 0.849 83 D CB -0.321 40.492 40.800 0.023 0.000 0.939 83 D HN 0.458 nan 8.370 nan 0.000 0.449 84 A N -1.392 121.485 122.820 0.095 0.000 2.842 84 A HA 0.677 4.997 4.320 -0.000 0.000 0.298 84 A C 0.881 178.503 177.584 0.065 0.000 1.293 84 A CA 0.530 52.623 52.037 0.092 0.000 0.959 84 A CB 0.353 19.428 19.000 0.125 0.000 1.119 84 A HN 0.136 nan 8.150 nan 0.000 0.564 85 A N -2.557 120.287 122.820 0.039 0.000 2.558 85 A HA 0.447 4.767 4.320 -0.000 0.000 0.153 85 A C 1.512 179.079 177.584 -0.028 0.000 1.751 85 A CA 0.847 52.895 52.037 0.019 0.000 1.222 85 A CB -0.665 18.348 19.000 0.021 0.000 1.413 85 A HN 1.989 nan 8.150 nan 0.000 0.398 86 G N -0.853 107.874 108.800 -0.122 0.000 2.176 86 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.253 86 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.253 86 G C -0.115 174.632 174.900 -0.255 0.000 0.979 86 G CA 0.944 45.820 45.100 -0.374 0.000 0.641 86 G HN 1.116 nan 8.290 nan 0.000 0.530 87 D N -3.185 117.145 120.400 -0.116 0.000 2.827 87 D HA 0.483 5.123 4.640 -0.000 0.000 0.336 87 D C 1.081 177.365 176.300 -0.025 0.000 1.374 87 D CA 1.178 55.136 54.000 -0.070 0.000 0.794 87 D CB 0.393 41.161 40.800 -0.053 0.000 1.364 87 D HN 1.345 nan 8.370 nan 0.000 0.464 88 G N -0.508 108.284 108.800 -0.014 0.000 2.258 88 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.233 88 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.233 88 G C 1.181 176.087 174.900 0.009 0.000 1.006 88 G CA 1.283 46.386 45.100 0.006 0.000 0.620 88 G HN 0.606 nan 8.290 nan 0.000 0.511 89 T N 1.277 115.830 114.554 -0.001 0.000 2.616 89 T HA -0.315 4.035 4.350 -0.000 0.000 0.261 89 T C 2.369 177.067 174.700 -0.004 0.000 1.105 89 T CA 3.104 65.199 62.100 -0.007 0.000 1.159 89 T CB -1.028 67.827 68.868 -0.021 0.000 0.856 89 T HN 0.649 nan 8.240 nan 0.000 0.449 90 T N 1.667 116.218 114.554 -0.006 0.000 2.614 90 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 90 T C 2.318 177.020 174.700 0.003 0.000 1.055 90 T CA 1.836 63.934 62.100 -0.004 0.000 1.162 90 T CB -1.066 67.798 68.868 -0.006 0.000 0.863 90 T HN 0.457 nan 8.240 nan 0.000 0.414 91 T N 2.389 116.945 114.554 0.005 0.000 2.624 91 T HA -0.250 4.100 4.350 -0.000 0.000 0.266 91 T C 2.318 177.029 174.700 0.018 0.000 1.050 91 T CA 1.696 63.802 62.100 0.010 0.000 1.163 91 T CB -0.880 67.994 68.868 0.010 0.000 0.861 91 T HN 0.472 nan 8.240 nan 0.000 0.443 92 A N 1.134 123.971 122.820 0.028 0.000 1.903 92 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 92 A C 2.588 180.190 177.584 0.029 0.000 1.191 92 A CA 2.569 54.633 52.037 0.044 0.000 0.638 92 A CB -1.485 17.555 19.000 0.067 0.000 0.823 92 A HN 0.531 nan 8.150 nan 0.000 0.451 93 T N -0.173 114.390 114.554 0.015 0.000 2.652 93 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 93 T C 1.909 176.615 174.700 0.009 0.000 1.039 93 T CA 1.829 63.933 62.100 0.007 0.000 1.153 93 T CB -0.678 68.190 68.868 -0.000 0.000 0.863 93 T HN 0.205 nan 8.240 nan 0.000 0.428 94 V N 1.638 121.558 119.914 0.009 0.000 2.252 94 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 94 V C 2.519 178.620 176.094 0.012 0.000 1.056 94 V CA 1.784 64.089 62.300 0.009 0.000 1.022 94 V CB -0.889 30.939 31.823 0.008 0.000 0.641 94 V HN 0.408 nan 8.190 nan 0.000 0.445 95 L N -0.039 121.193 121.223 0.016 0.000 1.994 95 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 95 L C 2.820 179.701 176.870 0.019 0.000 1.071 95 L CA 1.655 56.506 54.840 0.018 0.000 0.745 95 L CB -1.017 41.056 42.059 0.023 0.000 0.892 95 L HN 0.355 nan 8.230 nan 0.000 0.431 96 A N -0.307 122.526 122.820 0.022 0.000 1.906 96 A HA -0.411 3.909 4.320 -0.000 0.000 0.222 96 A C 2.250 179.842 177.584 0.014 0.000 1.282 96 A CA 2.668 54.718 52.037 0.021 0.000 0.675 96 A CB -1.007 18.003 19.000 0.017 0.000 0.838 96 A HN 0.568 nan 8.150 nan 0.000 0.469 97 Q N -0.948 118.858 119.800 0.011 0.000 1.956 97 Q HA -0.185 4.155 4.340 -0.000 0.000 0.208 97 Q C 2.286 178.292 176.000 0.009 0.000 0.998 97 Q CA 2.260 58.068 55.803 0.008 0.000 0.855 97 Q CB -0.503 28.239 28.738 0.007 0.000 0.928 97 Q HN 0.656 nan 8.270 nan 0.000 0.418 98 A N 0.958 123.784 122.820 0.009 0.000 1.900 98 A HA -0.321 3.999 4.320 -0.000 0.000 0.225 98 A C 2.009 179.598 177.584 0.009 0.000 1.414 98 A CA 2.488 54.531 52.037 0.009 0.000 0.702 98 A CB -1.399 17.607 19.000 0.010 0.000 0.845 98 A HN 0.575 nan 8.150 nan 0.000 0.478 99 I N -0.536 120.040 120.570 0.011 0.000 2.058 99 I HA -0.285 3.885 4.170 -0.000 0.000 0.235 99 I C 2.404 178.526 176.117 0.009 0.000 1.053 99 I CA 1.843 63.150 61.300 0.011 0.000 1.313 99 I CB -0.636 37.373 38.000 0.014 0.000 1.039 99 I HN 0.390 nan 8.210 nan 0.000 0.396 100 I N 0.697 121.273 120.570 0.009 0.000 2.147 100 I HA -0.401 3.769 4.170 -0.000 0.000 0.245 100 I C 2.608 178.728 176.117 0.004 0.000 1.059 100 I CA 2.086 63.390 61.300 0.007 0.000 1.320 100 I CB -1.105 36.898 38.000 0.006 0.000 1.021 100 I HN 0.395 nan 8.210 nan 0.000 0.415 101 T N 0.321 114.877 114.554 0.005 0.000 2.580 101 T HA -0.196 4.154 4.350 -0.000 0.000 0.265 101 T C 1.795 176.497 174.700 0.003 0.000 1.063 101 T CA 1.596 63.698 62.100 0.004 0.000 1.170 101 T CB -0.292 68.579 68.868 0.004 0.000 0.863 101 T HN 0.338 nan 8.240 nan 0.000 0.418 102 E N 0.901 121.104 120.200 0.004 0.000 2.012 102 E HA -0.081 4.269 4.350 -0.000 0.000 0.197 102 E C 2.670 179.272 176.600 0.003 0.000 1.007 102 E CA 1.447 57.849 56.400 0.004 0.000 0.816 102 E CB -1.239 28.464 29.700 0.005 0.000 0.762 102 E HN 0.557 nan 8.360 nan 0.000 0.451 103 G N 1.289 110.091 108.800 0.004 0.000 2.550 103 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.222 103 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.222 103 G C 1.523 176.424 174.900 0.002 0.000 1.113 103 G CA 0.875 45.977 45.100 0.004 0.000 0.748 103 G HN 0.158 nan 8.290 nan 0.000 0.585 104 L N -0.089 121.135 121.223 0.001 0.000 2.313 104 L HA 0.233 4.573 4.340 -0.000 0.000 0.214 104 L C 2.615 179.484 176.870 -0.001 0.000 1.119 104 L CA 1.207 56.047 54.840 -0.001 0.000 0.809 104 L CB -0.199 41.858 42.059 -0.002 0.000 0.933 104 L HN 0.181 nan 8.230 nan 0.000 0.449 105 K N -1.095 119.305 120.400 -0.000 0.000 2.044 105 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 105 K C 2.132 178.732 176.600 0.000 0.000 1.049 105 K CA 1.059 57.346 56.287 -0.000 0.000 0.945 105 K CB -0.285 32.215 32.500 0.001 0.000 0.724 105 K HN 0.289 nan 8.250 nan 0.000 0.440 106 A N 1.823 124.644 122.820 0.001 0.000 1.869 106 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 106 A C 2.470 180.054 177.584 0.001 0.000 1.203 106 A CA 2.588 54.626 52.037 0.001 0.000 0.638 106 A CB -1.394 17.607 19.000 0.002 0.000 0.831 106 A HN 0.203 nan 8.150 nan 0.000 0.450 107 V N -1.906 118.009 119.914 0.001 0.000 2.231 107 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 107 V C 2.592 178.686 176.094 0.001 0.000 1.058 107 V CA 2.535 64.836 62.300 0.001 0.000 1.022 107 V CB -1.818 30.006 31.823 0.001 0.000 0.640 107 V HN 0.740 nan 8.190 nan 0.000 0.445 108 A N 0.356 123.176 122.820 -0.001 0.000 2.125 108 A HA 0.223 4.543 4.320 -0.000 0.000 0.219 108 A C 2.336 179.920 177.584 -0.001 0.000 1.156 108 A CA 1.955 53.992 52.037 -0.001 0.000 0.671 108 A CB -0.873 18.125 19.000 -0.003 0.000 0.794 108 A HN 1.118 nan 8.150 nan 0.000 0.459 109 A N -2.169 120.650 122.820 -0.000 0.000 2.123 109 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 109 A C 1.803 179.387 177.584 -0.000 0.000 1.152 109 A CA 1.514 53.550 52.037 -0.000 0.000 0.728 109 A CB -0.396 18.604 19.000 0.000 0.000 0.814 109 A HN 1.646 nan 8.150 nan 0.000 0.464 110 G N -2.364 106.436 108.800 0.000 0.000 2.421 110 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.188 110 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.188 110 G C 0.243 175.144 174.900 0.001 0.000 1.001 110 G CA -0.014 45.086 45.100 0.001 0.000 0.693 110 G HN 0.274 nan 8.290 nan 0.000 0.479 111 M N 1.391 120.992 119.600 0.002 0.000 2.232 111 M HA 0.258 4.738 4.480 -0.000 0.000 0.321 111 M C 0.730 177.032 176.300 0.003 0.000 1.101 111 M CA -0.285 55.016 55.300 0.002 0.000 1.181 111 M CB 0.333 32.934 32.600 0.002 0.000 1.432 111 M HN 0.244 nan 8.290 nan 0.000 0.457 112 N N 2.185 120.887 118.700 0.003 0.000 2.442 112 N HA 0.113 4.853 4.740 -0.000 0.000 0.265 112 N C -2.270 173.242 175.510 0.004 0.000 1.138 112 N CA -1.399 51.654 53.050 0.004 0.000 0.956 112 N CB 1.225 39.715 38.487 0.004 0.000 1.067 112 N HN 0.250 nan 8.380 nan 0.000 0.474 113 P HA -0.061 nan 4.420 nan 0.000 0.215 113 P C 1.512 178.816 177.300 0.005 0.000 1.157 113 P CA 0.954 64.057 63.100 0.005 0.000 0.863 113 P CB 0.186 31.889 31.700 0.006 0.000 0.787 114 M N -0.221 119.382 119.600 0.006 0.000 2.106 114 M HA -0.180 4.300 4.480 -0.000 0.000 0.259 114 M C 1.381 177.684 176.300 0.005 0.000 1.068 114 M CA 1.808 57.112 55.300 0.006 0.000 1.100 114 M CB -1.269 31.335 32.600 0.006 0.000 1.351 114 M HN -0.135 nan 8.290 nan 0.000 0.404 115 D N -0.661 119.742 120.400 0.005 0.000 2.091 115 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 115 D C 2.139 178.442 176.300 0.005 0.000 0.980 115 D CA 1.220 55.223 54.000 0.004 0.000 0.831 115 D CB -0.408 40.395 40.800 0.004 0.000 0.987 115 D HN 0.340 nan 8.370 nan 0.000 0.460 116 L N 1.090 122.316 121.223 0.005 0.000 2.010 116 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 116 L C 2.631 179.504 176.870 0.006 0.000 1.077 116 L CA 1.607 56.450 54.840 0.005 0.000 0.773 116 L CB -0.609 41.453 42.059 0.005 0.000 0.892 116 L HN 0.060 nan 8.230 nan 0.000 0.436 117 K N 0.436 120.840 120.400 0.006 0.000 1.991 117 K HA -0.275 4.045 4.320 -0.000 0.000 0.212 117 K C 2.310 178.914 176.600 0.007 0.000 1.049 117 K CA 1.877 58.168 56.287 0.007 0.000 0.932 117 K CB -0.192 32.312 32.500 0.008 0.000 0.717 117 K HN 0.086 nan 8.250 nan 0.000 0.441 118 R N -0.145 120.358 120.500 0.006 0.000 2.136 118 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 118 R C 2.376 178.679 176.300 0.004 0.000 1.131 118 R CA 2.254 58.357 56.100 0.005 0.000 0.937 118 R CB -1.052 29.251 30.300 0.004 0.000 0.863 118 R HN 0.501 nan 8.270 nan 0.000 0.435 119 G N 0.698 109.501 108.800 0.004 0.000 2.503 119 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.221 119 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.221 119 G C 1.465 176.367 174.900 0.004 0.000 1.131 119 G CA 1.313 46.415 45.100 0.004 0.000 0.756 119 G HN 0.351 nan 8.290 nan 0.000 0.572 120 I N 0.716 121.289 120.570 0.005 0.000 2.110 120 I HA -0.116 4.054 4.170 -0.000 0.000 0.236 120 I C 2.415 178.536 176.117 0.005 0.000 1.068 120 I CA 1.301 62.605 61.300 0.006 0.000 1.333 120 I CB -0.371 37.633 38.000 0.008 0.000 1.054 120 I HN 0.076 nan 8.210 nan 0.000 0.402 121 D N 1.124 121.527 120.400 0.005 0.000 2.200 121 D HA -0.298 4.342 4.640 -0.000 0.000 0.192 121 D C 1.956 178.256 176.300 0.001 0.000 1.008 121 D CA 1.665 55.667 54.000 0.003 0.000 0.872 121 D CB -0.353 40.449 40.800 0.004 0.000 0.923 121 D HN 0.358 nan 8.370 nan 0.000 0.447 122 K N 0.871 121.272 120.400 0.002 0.000 1.978 122 K HA -0.171 4.149 4.320 -0.000 0.000 0.214 122 K C 2.232 178.832 176.600 0.001 0.000 1.049 122 K CA 1.578 57.865 56.287 0.001 0.000 0.939 122 K CB -0.209 32.292 32.500 0.002 0.000 0.721 122 K HN 0.031 nan 8.250 nan 0.000 0.441 123 A N 0.792 123.614 122.820 0.002 0.000 1.915 123 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 123 A C 2.295 179.880 177.584 0.001 0.000 1.198 123 A CA 2.335 54.373 52.037 0.003 0.000 0.647 123 A CB -1.054 17.949 19.000 0.004 0.000 0.825 123 A HN 0.238 nan 8.150 nan 0.000 0.456 124 V N -0.506 119.408 119.914 0.000 0.000 2.220 124 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 124 V C 2.673 178.763 176.094 -0.007 0.000 1.049 124 V CA 2.605 64.903 62.300 -0.003 0.000 1.003 124 V CB -1.621 30.199 31.823 -0.004 0.000 0.634 124 V HN 0.643 nan 8.190 nan 0.000 0.444 125 T N 0.650 115.199 114.554 -0.007 0.000 2.602 125 T HA -0.371 3.979 4.350 -0.000 0.000 0.264 125 T C 1.976 176.672 174.700 -0.007 0.000 1.085 125 T CA 2.448 64.543 62.100 -0.009 0.000 1.164 125 T CB -0.721 68.143 68.868 -0.006 0.000 0.860 125 T HN 0.629 nan 8.240 nan 0.000 0.442 126 A N 1.561 124.379 122.820 -0.003 0.000 1.851 126 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 126 A C 2.736 180.319 177.584 -0.001 0.000 1.195 126 A CA 2.345 54.381 52.037 -0.001 0.000 0.622 126 A CB -1.410 17.591 19.000 0.001 0.000 0.831 126 A HN 0.590 nan 8.150 nan 0.000 0.444 127 A N -0.636 122.184 122.820 -0.000 0.000 1.948 127 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 127 A C 2.217 179.799 177.584 -0.003 0.000 1.177 127 A CA 1.996 54.034 52.037 0.001 0.000 0.636 127 A CB -1.078 17.923 19.000 0.002 0.000 0.815 127 A HN 0.494 nan 8.150 nan 0.000 0.449 128 V N -0.288 119.621 119.914 -0.008 0.000 2.287 128 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 128 V C 2.534 178.623 176.094 -0.009 0.000 1.053 128 V CA 2.451 64.743 62.300 -0.013 0.000 1.027 128 V CB -0.860 30.951 31.823 -0.020 0.000 0.646 128 V HN 0.560 nan 8.190 nan 0.000 0.447 129 E N 0.181 120.377 120.200 -0.006 0.000 2.023 129 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 129 E C 2.312 178.912 176.600 0.000 0.000 1.003 129 E CA 1.300 57.698 56.400 -0.003 0.000 0.809 129 E CB -0.407 29.292 29.700 -0.002 0.000 0.755 129 E HN 0.522 nan 8.360 nan 0.000 0.449 130 E N 0.031 120.232 120.200 0.002 0.000 2.164 130 E HA -0.257 4.093 4.350 -0.000 0.000 0.206 130 E C 2.140 178.744 176.600 0.007 0.000 1.032 130 E CA 1.005 57.409 56.400 0.006 0.000 0.832 130 E CB -0.457 29.248 29.700 0.007 0.000 0.742 130 E HN 0.169 nan 8.360 nan 0.000 0.460 131 L N 1.355 122.580 121.223 0.004 0.000 2.042 131 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 131 L C 2.248 179.120 176.870 0.004 0.000 1.076 131 L CA 1.801 56.643 54.840 0.003 0.000 0.749 131 L CB -0.356 41.702 42.059 -0.002 0.000 0.893 131 L HN 0.056 nan 8.230 nan 0.000 0.432 132 K N -1.036 119.365 120.400 0.001 0.000 2.074 132 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 132 K C 2.078 178.681 176.600 0.005 0.000 1.048 132 K CA 1.466 57.754 56.287 0.002 0.000 0.926 132 K CB -0.466 32.034 32.500 -0.000 0.000 0.713 132 K HN 0.402 nan 8.250 nan 0.000 0.444 133 A N 1.683 124.507 122.820 0.007 0.000 1.845 133 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 133 A C 2.177 179.768 177.584 0.012 0.000 1.195 133 A CA 1.298 53.340 52.037 0.009 0.000 0.616 133 A CB -0.697 18.308 19.000 0.010 0.000 0.832 133 A HN 0.250 nan 8.150 nan 0.000 0.443 134 L N 0.396 121.627 121.223 0.014 0.000 2.127 134 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 134 L C 1.528 178.407 176.870 0.016 0.000 1.089 134 L CA 1.471 56.322 54.840 0.018 0.000 0.757 134 L CB -0.645 41.426 42.059 0.019 0.000 0.899 134 L HN 0.319 nan 8.230 nan 0.000 0.434 135 S N -0.807 114.901 115.700 0.012 0.000 2.558 135 S HA 0.143 4.613 4.470 -0.000 0.000 0.293 135 S C -0.204 174.403 174.600 0.012 0.000 1.292 135 S CA -0.469 57.737 58.200 0.011 0.000 1.063 135 S CB 0.133 63.338 63.200 0.008 0.000 0.831 135 S HN 0.093 nan 8.310 nan 0.000 0.499 136 V N 8.647 128.568 119.914 0.013 0.000 2.384 136 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 136 V C -2.056 174.045 176.094 0.012 0.000 1.020 136 V CA -1.896 60.412 62.300 0.013 0.000 0.850 136 V CB 1.255 33.087 31.823 0.016 0.000 0.987 136 V HN 0.780 nan 8.190 nan 0.000 0.436 137 P HA -0.013 nan 4.420 nan 0.000 0.269 137 P C -0.548 176.759 177.300 0.011 0.000 1.205 137 P CA 0.101 63.208 63.100 0.011 0.000 0.780 137 P CB 0.333 32.039 31.700 0.010 0.000 0.858 138 C N 2.427 121.734 119.300 0.011 0.000 2.919 138 C HA 0.552 5.012 4.460 -0.000 0.000 0.337 138 C C 0.904 175.900 174.990 0.011 0.000 1.039 138 C CA 0.370 59.394 59.018 0.011 0.000 1.373 138 C CB -0.702 27.045 27.740 0.012 0.000 1.843 138 C HN 0.642 nan 8.230 nan 0.000 0.493 139 S N 2.772 118.478 115.700 0.010 0.000 3.624 139 S HA 0.194 4.664 4.470 -0.000 0.000 0.244 139 S C 0.137 174.742 174.600 0.008 0.000 1.115 139 S CA 0.589 58.794 58.200 0.009 0.000 0.820 139 S CB -0.232 62.974 63.200 0.009 0.000 0.964 139 S HN 0.932 nan 8.310 nan 0.000 0.508 140 D N 1.993 122.397 120.400 0.007 0.000 2.419 140 D HA 0.138 4.778 4.640 -0.000 0.000 0.236 140 D C 0.786 177.089 176.300 0.006 0.000 1.165 140 D CA 0.364 54.367 54.000 0.006 0.000 0.882 140 D CB 0.406 41.210 40.800 0.006 0.000 1.201 140 D HN 0.143 nan 8.370 nan 0.000 0.443 141 S N 0.472 116.175 115.700 0.005 0.000 2.465 141 S HA -0.206 4.264 4.470 -0.000 0.000 0.241 141 S C 1.506 176.108 174.600 0.004 0.000 1.000 141 S CA 1.207 59.409 58.200 0.004 0.000 0.964 141 S CB -0.271 62.931 63.200 0.003 0.000 0.763 141 S HN 0.652 nan 8.310 nan 0.000 0.512 142 K N 1.791 122.194 120.400 0.005 0.000 1.973 142 K HA -0.021 4.299 4.320 -0.000 0.000 0.210 142 K C 2.334 178.937 176.600 0.006 0.000 1.045 142 K CA 1.199 57.489 56.287 0.005 0.000 0.937 142 K CB -0.486 32.017 32.500 0.005 0.000 0.721 142 K HN 0.253 nan 8.250 nan 0.000 0.438 143 A N 1.683 124.507 122.820 0.007 0.000 1.986 143 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 143 A C 2.065 179.654 177.584 0.008 0.000 1.171 143 A CA 1.453 53.495 52.037 0.008 0.000 0.640 143 A CB -0.570 18.436 19.000 0.009 0.000 0.811 143 A HN 0.368 nan 8.150 nan 0.000 0.451 144 I N -0.216 120.358 120.570 0.007 0.000 2.133 144 I HA -0.208 3.962 4.170 -0.000 0.000 0.238 144 I C 2.950 179.070 176.117 0.006 0.000 1.074 144 I CA 1.561 62.865 61.300 0.007 0.000 1.342 144 I CB -1.730 36.273 38.000 0.005 0.000 1.053 144 I HN 0.350 nan 8.210 nan 0.000 0.404 145 A N -0.006 122.817 122.820 0.004 0.000 2.015 145 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 145 A C 2.189 179.776 177.584 0.004 0.000 1.163 145 A CA 1.630 53.669 52.037 0.003 0.000 0.646 145 A CB -0.564 18.438 19.000 0.002 0.000 0.806 145 A HN 0.485 nan 8.150 nan 0.000 0.448 146 Q N 0.116 119.919 119.800 0.005 0.000 1.803 146 Q HA -0.179 4.161 4.340 -0.000 0.000 0.284 146 Q C 2.009 178.013 176.000 0.006 0.000 1.004 146 Q CA 2.835 58.641 55.803 0.006 0.000 0.889 146 Q CB -1.115 27.627 28.738 0.007 0.000 0.949 146 Q HN 0.497 nan 8.270 nan 0.000 0.418 147 V N 0.530 120.449 119.914 0.008 0.000 2.250 147 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 147 V C 1.907 178.006 176.094 0.009 0.000 1.065 147 V CA 3.135 65.441 62.300 0.009 0.000 1.039 147 V CB -1.493 30.338 31.823 0.012 0.000 0.647 147 V HN 0.645 nan 8.190 nan 0.000 0.446 148 G N -0.343 108.463 108.800 0.009 0.000 2.679 148 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.217 148 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.217 148 G C 1.775 176.679 174.900 0.007 0.000 1.267 148 G CA 2.870 47.976 45.100 0.009 0.000 0.799 148 G HN 0.828 nan 8.290 nan 0.000 0.606 149 T N 0.330 114.886 114.554 0.004 0.000 2.714 149 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 149 T C 2.359 177.060 174.700 0.002 0.000 1.036 149 T CA 1.719 63.821 62.100 0.003 0.000 1.148 149 T CB -0.429 68.441 68.868 0.002 0.000 0.856 149 T HN 0.342 nan 8.240 nan 0.000 0.462 150 I N 1.316 121.887 120.570 0.003 0.000 2.133 150 I HA -0.123 4.047 4.170 -0.000 0.000 0.238 150 I C 3.029 179.147 176.117 0.001 0.000 1.074 150 I CA 1.516 62.816 61.300 0.000 0.000 1.342 150 I CB -0.762 37.238 38.000 0.000 0.000 1.053 150 I HN 0.307 nan 8.210 nan 0.000 0.404 151 S N 0.587 116.290 115.700 0.005 0.000 2.469 151 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 151 S C 1.909 176.515 174.600 0.010 0.000 0.998 151 S CA 1.144 59.349 58.200 0.009 0.000 0.957 151 S CB -0.234 62.977 63.200 0.018 0.000 0.764 151 S HN 0.467 nan 8.310 nan 0.000 0.514 152 A N 1.061 123.886 122.820 0.007 0.000 2.238 152 A HA 0.277 4.597 4.320 -0.000 0.000 0.208 152 A C 0.701 178.286 177.584 0.002 0.000 1.177 152 A CA 0.438 52.478 52.037 0.006 0.000 0.804 152 A CB -0.719 18.283 19.000 0.004 0.000 0.823 152 A HN 0.823 nan 8.150 nan 0.000 0.482 153 N N -0.962 117.738 118.700 -0.000 0.000 2.792 153 N HA -0.220 4.520 4.740 -0.000 0.000 0.258 153 N C 0.376 175.883 175.510 -0.004 0.000 1.118 153 N CA 0.281 53.329 53.050 -0.004 0.000 0.672 153 N CB -1.130 37.354 38.487 -0.004 0.000 0.913 153 N HN 0.324 nan 8.380 nan 0.000 0.562 154 S N -1.038 114.660 115.700 -0.004 0.000 1.799 154 S HA -0.292 4.178 4.470 -0.000 0.000 0.230 154 S C 0.047 174.646 174.600 -0.002 0.000 0.932 154 S CA 1.473 59.671 58.200 -0.004 0.000 1.516 154 S CB -1.020 62.177 63.200 -0.005 0.000 1.962 154 S HN 0.857 nan 8.310 nan 0.000 0.542 155 D N 2.878 123.277 120.400 -0.002 0.000 2.518 155 D HA -0.007 4.633 4.640 -0.000 0.000 0.270 155 D C 1.045 177.345 176.300 -0.001 0.000 1.338 155 D CA 0.699 54.698 54.000 -0.001 0.000 0.983 155 D CB 0.270 41.069 40.800 -0.001 0.000 1.126 155 D HN 0.632 nan 8.370 nan 0.000 0.543 156 E N 1.425 121.625 120.200 -0.001 0.000 2.072 156 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 156 E C 2.048 178.648 176.600 -0.001 0.000 0.985 156 E CA 1.609 58.009 56.400 -0.000 0.000 0.801 156 E CB -0.062 29.639 29.700 0.000 0.000 0.750 156 E HN 0.710 nan 8.360 nan 0.000 0.452 157 T N -0.274 114.279 114.554 -0.001 0.000 2.721 157 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 157 T C 2.028 176.727 174.700 -0.002 0.000 1.038 157 T CA 1.664 63.763 62.100 -0.002 0.000 1.145 157 T CB -0.833 68.033 68.868 -0.002 0.000 0.858 157 T HN -0.043 nan 8.240 nan 0.000 0.459 158 V N 2.441 122.354 119.914 -0.002 0.000 2.222 158 V HA -0.001 4.119 4.120 -0.000 0.000 0.240 158 V C 3.184 179.277 176.094 -0.002 0.000 1.040 158 V CA 1.986 64.284 62.300 -0.002 0.000 0.988 158 V CB -1.686 30.137 31.823 -0.000 0.000 0.633 158 V HN 0.642 nan 8.190 nan 0.000 0.452 159 G N -0.250 108.550 108.800 0.000 0.000 2.626 159 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.224 159 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.224 159 G C 1.529 176.429 174.900 -0.000 0.000 1.095 159 G CA 1.621 46.722 45.100 0.001 0.000 0.738 159 G HN 0.569 nan 8.290 nan 0.000 0.600 160 K N -0.255 120.144 120.400 -0.001 0.000 1.968 160 K HA -0.101 4.219 4.320 -0.000 0.000 0.222 160 K C 2.486 179.084 176.600 -0.003 0.000 1.043 160 K CA 1.503 57.789 56.287 -0.001 0.000 0.991 160 K CB -0.429 32.071 32.500 -0.002 0.000 0.744 160 K HN 0.134 nan 8.250 nan 0.000 0.445 161 L N 1.568 122.788 121.223 -0.004 0.000 2.064 161 L HA -0.269 4.071 4.340 -0.000 0.000 0.216 161 L C 2.341 179.206 176.870 -0.007 0.000 1.077 161 L CA 1.743 56.580 54.840 -0.006 0.000 0.766 161 L CB -0.721 41.334 42.059 -0.007 0.000 0.890 161 L HN 0.400 nan 8.230 nan 0.000 0.435 162 I N -0.823 119.743 120.570 -0.007 0.000 2.091 162 I HA -0.373 3.797 4.170 -0.000 0.000 0.239 162 I C 2.678 178.792 176.117 -0.005 0.000 1.061 162 I CA 1.500 62.795 61.300 -0.008 0.000 1.317 162 I CB -0.791 37.205 38.000 -0.006 0.000 1.031 162 I HN 0.296 nan 8.210 nan 0.000 0.401 163 A N 0.576 123.395 122.820 -0.002 0.000 1.883 163 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 163 A C 2.211 179.794 177.584 -0.002 0.000 1.186 163 A CA 1.968 54.005 52.037 -0.001 0.000 0.624 163 A CB -0.746 18.254 19.000 0.001 0.000 0.822 163 A HN 0.501 nan 8.150 nan 0.000 0.444 164 E N -0.209 119.989 120.200 -0.003 0.000 2.049 164 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 164 E C 2.392 178.990 176.600 -0.004 0.000 1.007 164 E CA 1.086 57.484 56.400 -0.003 0.000 0.809 164 E CB -0.417 29.281 29.700 -0.004 0.000 0.749 164 E HN 0.620 nan 8.360 nan 0.000 0.450 165 A N 1.710 124.526 122.820 -0.006 0.000 1.852 165 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 165 A C 2.265 179.846 177.584 -0.006 0.000 1.215 165 A CA 2.328 54.360 52.037 -0.008 0.000 0.641 165 A CB -0.827 18.166 19.000 -0.012 0.000 0.838 165 A HN 0.183 nan 8.150 nan 0.000 0.450 166 M N -1.045 118.552 119.600 -0.005 0.000 2.267 166 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 166 M C 1.603 177.902 176.300 -0.001 0.000 1.063 166 M CA 1.847 57.145 55.300 -0.003 0.000 1.090 166 M CB -0.636 31.963 32.600 -0.001 0.000 1.392 166 M HN 0.511 nan 8.290 nan 0.000 0.422 167 D N 0.400 120.799 120.400 -0.001 0.000 2.348 167 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 167 D C 1.883 178.183 176.300 -0.001 0.000 0.970 167 D CA 0.884 54.884 54.000 -0.001 0.000 0.889 167 D CB 0.380 41.179 40.800 -0.001 0.000 0.912 167 D HN 0.117 nan 8.370 nan 0.000 0.524 168 K N -0.383 120.016 120.400 -0.002 0.000 2.183 168 K HA 0.097 4.417 4.320 -0.000 0.000 0.218 168 K C 1.603 178.202 176.600 -0.003 0.000 1.025 168 K CA 0.289 56.575 56.287 -0.003 0.000 0.944 168 K CB -1.005 31.493 32.500 -0.004 0.000 0.936 168 K HN -0.009 nan 8.250 nan 0.000 0.460 169 V N 0.954 120.866 119.914 -0.003 0.000 3.573 169 V HA 0.138 4.258 4.120 -0.000 0.000 0.270 169 V C 0.367 176.461 176.094 -0.001 0.000 1.221 169 V CA 1.192 63.491 62.300 -0.002 0.000 1.163 169 V CB -0.844 30.977 31.823 -0.003 0.000 0.847 169 V HN 0.660 nan 8.190 nan 0.000 0.468 170 G N 0.131 108.931 108.800 -0.000 0.000 2.655 170 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.680 170 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.680 170 G C 0.174 175.075 174.900 0.002 0.000 1.302 170 G CA 0.063 45.164 45.100 0.002 0.000 0.872 170 G HN 0.274 nan 8.290 nan 0.000 0.540 171 K N -0.041 120.362 120.400 0.005 0.000 2.057 171 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 171 K C 1.947 178.552 176.600 0.008 0.000 1.050 171 K CA 1.836 58.127 56.287 0.007 0.000 0.935 171 K CB -0.039 32.466 32.500 0.010 0.000 0.715 171 K HN 0.415 nan 8.250 nan 0.000 0.439 172 E N 0.378 120.584 120.200 0.010 0.000 2.502 172 E HA 0.044 4.394 4.350 -0.000 0.000 0.194 172 E C 0.518 177.123 176.600 0.009 0.000 1.062 172 E CA -0.018 56.390 56.400 0.013 0.000 0.867 172 E CB 0.079 29.789 29.700 0.016 0.000 0.888 172 E HN 0.292 nan 8.360 nan 0.000 0.510 173 G N 0.024 108.827 108.800 0.004 0.000 2.664 173 G HA2 0.187 4.147 3.960 -0.000 0.000 0.242 173 G HA3 0.187 4.147 3.960 -0.000 0.000 0.242 173 G C -0.232 174.668 174.900 -0.001 0.000 1.225 173 G CA -0.500 44.601 45.100 0.002 0.000 0.849 173 G HN 0.050 nan 8.290 nan 0.000 0.581 174 V N 1.738 121.651 119.914 -0.001 0.000 2.364 174 V HA 0.319 4.439 4.120 -0.000 0.000 0.272 174 V C -0.198 175.887 176.094 -0.015 0.000 1.036 174 V CA -0.316 61.981 62.300 -0.006 0.000 0.880 174 V CB 0.694 32.518 31.823 0.001 0.000 0.991 174 V HN 0.455 nan 8.190 nan 0.000 0.460 175 I N 4.748 125.303 120.570 -0.025 0.000 2.603 175 I HA 0.762 4.932 4.170 -0.000 0.000 0.300 175 I C 0.463 176.555 176.117 -0.041 0.000 1.017 175 I CA 0.010 61.291 61.300 -0.031 0.000 1.098 175 I CB 2.263 40.243 38.000 -0.033 0.000 1.279 175 I HN 0.770 nan 8.210 nan 0.000 0.437 176 T N 1.348 115.880 114.554 -0.037 0.000 2.804 176 T HA 0.918 5.268 4.350 -0.000 0.000 0.290 176 T C -0.974 173.704 174.700 -0.037 0.000 1.099 176 T CA -0.785 61.290 62.100 -0.042 0.000 1.011 176 T CB 1.639 70.486 68.868 -0.036 0.000 1.291 176 T HN 0.283 nan 8.240 nan 0.000 0.523 177 V N 0.697 120.589 119.914 -0.036 0.000 2.808 177 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 177 V C -0.966 175.114 176.094 -0.024 0.000 1.099 177 V CA -0.826 61.457 62.300 -0.029 0.000 0.920 177 V CB 1.867 33.672 31.823 -0.030 0.000 1.014 177 V HN 1.055 nan 8.190 nan 0.000 0.425 178 E N 1.325 121.512 120.200 -0.020 0.000 2.367 178 E HA 0.467 4.817 4.350 -0.000 0.000 0.273 178 E C -1.715 174.876 176.600 -0.015 0.000 0.903 178 E CA -1.051 55.338 56.400 -0.018 0.000 0.764 178 E CB 2.308 31.997 29.700 -0.018 0.000 1.252 178 E HN 0.703 nan 8.360 nan 0.000 0.446 179 D N 0.832 121.223 120.400 -0.014 0.000 2.423 179 D HA 0.229 4.869 4.640 -0.000 0.000 0.238 179 D C 0.224 176.517 176.300 -0.012 0.000 1.142 179 D CA 0.481 54.474 54.000 -0.012 0.000 0.884 179 D CB 0.581 41.374 40.800 -0.011 0.000 1.199 179 D HN 0.456 nan 8.370 nan 0.000 0.438 180 G N -0.314 108.480 108.800 -0.010 0.000 2.467 180 G HA2 0.294 4.254 3.960 -0.000 0.000 0.257 180 G HA3 0.294 4.254 3.960 -0.000 0.000 0.257 180 G C 1.143 176.038 174.900 -0.009 0.000 1.227 180 G CA -0.289 44.805 45.100 -0.010 0.000 0.835 180 G HN 0.528 nan 8.290 nan 0.000 0.556 181 T N -0.163 114.385 114.554 -0.009 0.000 2.896 181 T HA 0.245 4.595 4.350 -0.000 0.000 0.263 181 T C 1.375 176.070 174.700 -0.008 0.000 1.050 181 T CA 1.116 63.211 62.100 -0.009 0.000 1.140 181 T CB 0.031 68.893 68.868 -0.009 0.000 0.877 181 T HN 0.738 nan 8.240 nan 0.000 0.457 182 G N 0.577 109.372 108.800 -0.007 0.000 3.234 182 G HA2 0.528 4.488 3.960 -0.000 0.000 0.159 182 G HA3 0.528 4.488 3.960 -0.000 0.000 0.159 182 G C 0.134 175.030 174.900 -0.006 0.000 1.175 182 G CA -0.132 44.964 45.100 -0.006 0.000 0.900 182 G HN 0.236 nan 8.290 nan 0.000 0.621 183 L N -0.718 120.502 121.223 -0.005 0.000 2.477 183 L HA 0.401 4.741 4.340 -0.000 0.000 0.220 183 L C 0.688 177.555 176.870 -0.005 0.000 1.106 183 L CA 0.552 55.389 54.840 -0.005 0.000 0.851 183 L CB -0.234 41.822 42.059 -0.004 0.000 0.994 183 L HN 0.183 nan 8.230 nan 0.000 0.462 184 Q N 1.183 120.980 119.800 -0.005 0.000 2.259 184 Q HA 0.192 4.532 4.340 -0.000 0.000 0.249 184 Q C -0.788 175.208 176.000 -0.006 0.000 0.914 184 Q CA -0.295 55.505 55.803 -0.005 0.000 0.904 184 Q CB 1.170 29.905 28.738 -0.005 0.000 1.213 184 Q HN 0.227 nan 8.270 nan 0.000 0.428 185 D N 1.673 122.070 120.400 -0.006 0.000 2.339 185 D HA 0.205 4.845 4.640 -0.000 0.000 0.245 185 D C -0.354 175.941 176.300 -0.007 0.000 1.115 185 D CA 0.228 54.224 54.000 -0.007 0.000 0.917 185 D CB 0.792 41.588 40.800 -0.006 0.000 1.192 185 D HN 0.282 nan 8.370 nan 0.000 0.428 186 E N 0.433 120.628 120.200 -0.008 0.000 2.278 186 E HA 0.394 4.744 4.350 -0.000 0.000 0.272 186 E C -1.006 175.588 176.600 -0.009 0.000 0.890 186 E CA -0.593 55.803 56.400 -0.008 0.000 0.770 186 E CB 2.363 32.058 29.700 -0.009 0.000 1.212 186 E HN 0.207 nan 8.360 nan 0.000 0.415 187 L N 3.501 124.719 121.223 -0.009 0.000 2.325 187 L HA 0.528 4.868 4.340 -0.000 0.000 0.281 187 L C -1.469 175.395 176.870 -0.009 0.000 1.004 187 L CA -0.419 54.416 54.840 -0.009 0.000 0.823 187 L CB 0.849 42.902 42.059 -0.009 0.000 1.236 187 L HN 0.536 nan 8.230 nan 0.000 0.415 188 D N 4.378 124.773 120.400 -0.010 0.000 2.819 188 D HA 0.363 5.003 4.640 -0.000 0.000 0.232 188 D C -0.889 175.406 176.300 -0.009 0.000 1.160 188 D CA -0.170 53.825 54.000 -0.009 0.000 0.858 188 D CB 2.922 43.716 40.800 -0.009 0.000 1.610 188 D HN 0.326 nan 8.370 nan 0.000 0.481 189 V N -0.488 119.421 119.914 -0.008 0.000 2.427 189 V HA 0.816 4.936 4.120 -0.000 0.000 0.286 189 V C -0.139 175.952 176.094 -0.006 0.000 1.034 189 V CA -0.518 61.778 62.300 -0.007 0.000 0.893 189 V CB 1.462 33.281 31.823 -0.006 0.000 0.982 189 V HN 0.329 nan 8.190 nan 0.000 0.452 190 V N 3.155 123.065 119.914 -0.006 0.000 3.114 190 V HA 0.525 4.645 4.120 -0.000 0.000 0.308 190 V C 0.991 177.083 176.094 -0.004 0.000 1.168 190 V CA -0.369 61.928 62.300 -0.006 0.000 1.015 190 V CB 2.488 34.306 31.823 -0.007 0.000 1.050 190 V HN 0.935 nan 8.190 nan 0.000 0.433 191 E N 2.484 122.683 120.200 -0.002 0.000 2.333 191 E HA -0.039 4.311 4.350 -0.000 0.000 0.200 191 E C 1.244 177.846 176.600 0.002 0.000 1.010 191 E CA 0.999 57.399 56.400 0.001 0.000 0.841 191 E CB -0.575 29.125 29.700 0.001 0.000 0.757 191 E HN 0.924 nan 8.360 nan 0.000 0.508 192 G N 1.168 109.964 108.800 -0.007 0.000 3.047 192 G HA2 0.033 3.993 3.960 -0.000 0.000 0.374 192 G HA3 0.033 3.993 3.960 -0.000 0.000 0.374 192 G C 0.261 175.160 174.900 -0.001 0.000 1.277 192 G CA 0.540 45.635 45.100 -0.009 0.000 1.153 192 G HN 0.253 nan 8.290 nan 0.000 0.711 193 M N -1.958 117.637 119.600 -0.007 0.000 2.949 193 M HA 0.537 5.017 4.480 -0.000 0.000 0.270 193 M C -1.653 174.623 176.300 -0.041 0.000 1.221 193 M CA -0.757 54.547 55.300 0.007 0.000 0.818 193 M CB 1.893 34.528 32.600 0.059 0.000 1.635 193 M HN 0.770 nan 8.290 nan 0.000 0.492 194 Q N 1.710 121.493 119.800 -0.029 0.000 2.578 194 Q HA 0.657 4.997 4.340 -0.000 0.000 0.284 194 Q C -2.329 173.659 176.000 -0.020 0.000 0.960 194 Q CA -0.637 55.076 55.803 -0.150 0.000 0.809 194 Q CB 2.714 31.388 28.738 -0.106 0.000 1.462 194 Q HN 0.663 nan 8.270 nan 0.000 0.392 195 F N -0.784 119.175 119.950 0.015 0.000 2.688 195 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 195 F C -1.549 174.262 175.800 0.019 0.000 1.117 195 F CA -1.300 56.711 58.000 0.018 0.000 0.976 195 F CB 0.716 39.728 39.000 0.021 0.000 1.291 195 F HN 0.299 nan 8.300 nan 0.000 0.439 196 D N 2.777 123.367 120.400 0.317 0.000 2.367 196 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 196 D C -0.417 176.042 176.300 0.264 0.000 1.300 196 D CA 0.611 54.734 54.000 0.205 0.000 0.959 196 D CB 0.298 41.174 40.800 0.128 0.000 1.064 196 D HN 0.579 nan 8.370 nan 0.000 0.509 197 R N 0.860 121.513 120.500 0.255 0.000 2.725 197 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 197 R C -0.263 176.108 176.300 0.118 0.000 1.189 197 R CA -0.475 55.764 56.100 0.231 0.000 1.083 197 R CB 1.227 31.790 30.300 0.438 0.000 1.262 197 R HN 0.381 nan 8.270 nan 0.000 0.415 198 G N 1.725 110.517 108.800 -0.012 0.000 2.488 198 G HA2 0.392 4.352 3.960 -0.000 0.000 0.318 198 G HA3 0.392 4.352 3.960 -0.000 0.000 0.318 198 G C -0.712 174.118 174.900 -0.117 0.000 1.188 198 G CA -0.563 44.432 45.100 -0.175 0.000 0.944 198 G HN 0.513 nan 8.290 nan 0.000 0.495 199 Y N -1.136 119.242 120.300 0.129 0.000 2.652 199 Y HA 0.298 4.848 4.550 -0.000 0.000 0.344 199 Y C 0.549 176.511 175.900 0.104 0.000 1.254 199 Y CA -1.152 57.058 58.100 0.183 0.000 1.480 199 Y CB 0.237 38.836 38.460 0.232 0.000 1.345 199 Y HN 0.099 nan 8.280 nan 0.000 0.617 200 L N 2.278 123.720 121.223 0.364 0.000 2.783 200 L HA 0.333 4.673 4.340 -0.000 0.000 0.236 200 L C 0.174 177.053 176.870 0.016 0.000 1.225 200 L CA 0.332 55.277 54.840 0.175 0.000 1.026 200 L CB -0.902 41.240 42.059 0.139 0.000 1.314 200 L HN 0.732 nan 8.230 nan 0.000 0.489 201 S N -1.554 114.163 115.700 0.029 0.000 2.546 201 S HA 0.310 4.780 4.470 -0.000 0.000 0.303 201 S C -2.370 171.881 174.600 -0.582 0.000 1.067 201 S CA -0.560 57.405 58.200 -0.392 0.000 0.944 201 S CB 1.176 63.735 63.200 -1.069 0.000 1.155 201 S HN -0.111 nan 8.310 nan 0.000 0.449 202 P HA -0.054 nan 4.420 nan 0.000 0.216 202 P C 0.590 177.657 177.300 -0.390 0.000 1.150 202 P CA 1.000 63.751 63.100 -0.582 0.000 0.837 202 P CB -0.072 31.507 31.700 -0.201 0.000 0.786 203 Y N -2.553 117.543 120.300 -0.340 0.000 2.736 203 Y HA -0.113 4.437 4.550 -0.000 0.000 0.298 203 Y C 1.659 177.557 175.900 -0.003 0.000 1.156 203 Y CA 0.582 58.579 58.100 -0.172 0.000 1.384 203 Y CB -1.168 37.209 38.460 -0.139 0.000 0.976 203 Y HN -0.004 nan 8.280 nan 0.000 0.556 204 F N -0.788 119.106 119.950 -0.092 0.000 2.446 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.292 204 F C 1.217 176.947 175.800 -0.117 0.000 1.096 204 F CA -0.961 56.990 58.000 -0.083 0.000 1.438 204 F CB -0.707 38.247 39.000 -0.077 0.000 1.107 204 F HN -0.192 nan 8.300 nan 0.000 0.546 205 I N 3.056 123.606 120.570 -0.032 0.000 2.996 205 I HA -0.233 3.937 4.170 -0.000 0.000 0.311 205 I C 1.176 177.286 176.117 -0.011 0.000 1.219 205 I CA 0.713 61.981 61.300 -0.054 0.000 1.452 205 I CB 0.241 38.163 38.000 -0.129 0.000 1.319 205 I HN 0.259 nan 8.210 nan 0.000 0.564 206 N N 4.624 123.324 118.700 0.000 0.000 2.159 206 N HA 0.037 4.777 4.740 -0.000 0.000 0.217 206 N C -0.241 175.264 175.510 -0.008 0.000 1.223 206 N CA -0.181 52.868 53.050 -0.002 0.000 0.896 206 N CB 0.707 39.195 38.487 0.002 0.000 1.064 206 N HN 0.400 nan 8.380 nan 0.000 0.518 207 K N 2.090 122.486 120.400 -0.007 0.000 2.679 207 K HA 0.324 4.644 4.320 -0.000 0.000 0.188 207 K C -1.843 174.751 176.600 -0.010 0.000 1.055 207 K CA -1.793 54.490 56.287 -0.006 0.000 1.006 207 K CB 2.183 34.685 32.500 0.004 0.000 1.317 207 K HN -0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.240 nan 4.420 nan 0.000 0.212 208 P C 0.850 178.140 177.300 -0.017 0.000 1.174 208 P CA 1.399 64.481 63.100 -0.029 0.000 0.934 208 P CB 0.394 32.076 31.700 -0.031 0.000 0.791 209 E N -0.936 119.257 120.200 -0.011 0.000 2.455 209 E HA -0.088 4.262 4.350 -0.000 0.000 0.202 209 E C 1.517 178.118 176.600 0.002 0.000 1.045 209 E CA 1.133 57.530 56.400 -0.005 0.000 0.872 209 E CB -0.549 29.149 29.700 -0.003 0.000 0.792 209 E HN 0.392 nan 8.360 nan 0.000 0.542 210 T N -1.704 112.853 114.554 0.006 0.000 2.969 210 T HA 0.202 4.552 4.350 -0.000 0.000 0.250 210 T C 1.185 175.903 174.700 0.031 0.000 1.021 210 T CA 0.426 62.536 62.100 0.018 0.000 1.003 210 T CB 0.789 69.669 68.868 0.019 0.000 1.040 210 T HN 0.263 nan 8.240 nan 0.000 0.492 211 G N 1.983 110.797 108.800 0.023 0.000 2.249 211 G HA2 0.004 3.964 3.960 -0.000 0.000 0.273 211 G HA3 0.004 3.964 3.960 -0.000 0.000 0.273 211 G C 0.087 175.043 174.900 0.093 0.000 1.036 211 G CA 0.185 45.310 45.100 0.041 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.363 121.497 122.820 0.066 0.000 2.430 212 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 212 A C -0.346 177.277 177.584 0.065 0.000 1.124 212 A CA -0.339 51.754 52.037 0.093 0.000 0.766 212 A CB 2.177 21.218 19.000 0.067 0.000 1.328 212 A HN 1.181 nan 8.150 nan 0.000 0.424 213 V N 1.978 121.945 119.914 0.088 0.000 2.284 213 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 213 V C -0.399 175.716 176.094 0.035 0.000 1.023 213 V CA -0.308 62.030 62.300 0.063 0.000 0.808 213 V CB 0.610 32.493 31.823 0.100 0.000 1.035 213 V HN 0.889 nan 8.190 nan 0.000 0.445 214 E N 5.324 125.533 120.200 0.015 0.000 2.200 214 E HA 0.596 4.946 4.350 -0.000 0.000 0.283 214 E C -1.034 175.561 176.600 -0.008 0.000 1.015 214 E CA -0.397 56.004 56.400 0.001 0.000 0.819 214 E CB 1.813 31.512 29.700 -0.003 0.000 1.081 214 E HN 0.521 nan 8.360 nan 0.000 0.397 215 L N 2.809 124.023 121.223 -0.014 0.000 2.362 215 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 215 L C -0.032 176.822 176.870 -0.028 0.000 0.998 215 L CA -1.050 53.778 54.840 -0.020 0.000 0.820 215 L CB 1.683 43.729 42.059 -0.022 0.000 1.270 215 L HN 0.352 nan 8.230 nan 0.000 0.415 216 E N 2.220 122.403 120.200 -0.028 0.000 2.003 216 E HA 0.073 4.423 4.350 -0.000 0.000 0.279 216 E C 0.505 177.069 176.600 -0.060 0.000 1.132 216 E CA -0.006 56.371 56.400 -0.038 0.000 0.888 216 E CB 0.866 30.548 29.700 -0.031 0.000 1.056 216 E HN 0.691 nan 8.360 nan 0.000 0.399 217 S N 1.736 117.390 115.700 -0.076 0.000 3.348 217 S HA -0.181 4.289 4.470 -0.000 0.000 0.366 217 S C -2.246 172.245 174.600 -0.183 0.000 0.953 217 S CA -0.006 58.121 58.200 -0.121 0.000 1.255 217 S CB -1.755 61.368 63.200 -0.128 0.000 0.906 217 S HN 0.256 nan 8.310 nan 0.000 0.495 218 P HA 0.584 nan 4.420 nan 0.000 0.279 218 P C 0.370 177.572 177.300 -0.164 0.000 1.282 218 P CA -0.759 62.288 63.100 -0.088 0.000 0.788 218 P CB 0.312 32.017 31.700 0.009 0.000 1.139 219 F N -0.708 119.235 119.950 -0.012 0.000 2.368 219 F HA 0.444 4.971 4.527 -0.000 0.000 0.315 219 F C 0.749 176.548 175.800 -0.002 0.000 1.145 219 F CA 0.029 58.026 58.000 -0.006 0.000 1.095 219 F CB 0.153 39.150 39.000 -0.006 0.000 1.286 219 F HN -0.008 nan 8.300 nan 0.000 0.530 220 I N 2.310 123.000 120.570 0.200 0.000 2.647 220 I HA 0.315 4.485 4.170 -0.000 0.000 0.295 220 I C -1.342 174.841 176.117 0.109 0.000 1.078 220 I CA -0.902 60.470 61.300 0.120 0.000 1.048 220 I CB 2.151 40.201 38.000 0.083 0.000 1.239 220 I HN 0.237 nan 8.210 nan 0.000 0.421 221 L N 6.559 127.832 121.223 0.085 0.000 2.334 221 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 221 L C -1.155 175.750 176.870 0.059 0.000 1.014 221 L CA -0.580 54.299 54.840 0.064 0.000 0.815 221 L CB 1.787 43.876 42.059 0.050 0.000 1.268 221 L HN 0.618 nan 8.230 nan 0.000 0.428 222 L N 5.541 126.792 121.223 0.046 0.000 2.556 222 L HA 0.410 4.750 4.340 -0.000 0.000 0.243 222 L C 0.588 177.473 176.870 0.025 0.000 1.331 222 L CA -0.354 54.507 54.840 0.036 0.000 0.927 222 L CB 1.030 43.110 42.059 0.034 0.000 1.219 222 L HN 0.719 nan 8.230 nan 0.000 0.490 223 A N 0.196 123.031 122.820 0.025 0.000 2.281 223 A HA 0.208 4.528 4.320 -0.000 0.000 0.271 223 A C 0.492 178.083 177.584 0.012 0.000 1.196 223 A CA 0.413 52.461 52.037 0.018 0.000 0.807 223 A CB 0.380 19.394 19.000 0.022 0.000 1.138 223 A HN 0.604 nan 8.150 nan 0.000 0.506 224 D N -2.570 117.836 120.400 0.010 0.000 2.530 224 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 224 D C 0.067 176.372 176.300 0.008 0.000 1.338 224 D CA 0.093 54.096 54.000 0.006 0.000 0.806 224 D CB 0.017 40.819 40.800 0.003 0.000 1.160 224 D HN 0.642 nan 8.370 nan 0.000 0.514 225 K N -0.897 119.511 120.400 0.012 0.000 2.263 225 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 225 K C -0.897 175.714 176.600 0.019 0.000 1.076 225 K CA -1.050 55.245 56.287 0.014 0.000 0.884 225 K CB 1.173 33.680 32.500 0.013 0.000 1.394 225 K HN -0.326 nan 8.250 nan 0.000 0.476 226 K N 0.748 121.159 120.400 0.019 0.000 2.174 226 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 226 K C -0.554 176.060 176.600 0.023 0.000 1.015 226 K CA -0.442 55.859 56.287 0.023 0.000 0.933 226 K CB 0.645 33.158 32.500 0.021 0.000 1.025 226 K HN 0.441 nan 8.250 nan 0.000 0.463 227 I N 2.865 123.452 120.570 0.029 0.000 2.354 227 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 227 I C 0.822 176.956 176.117 0.028 0.000 1.007 227 I CA -0.103 61.214 61.300 0.028 0.000 1.167 227 I CB 0.646 38.666 38.000 0.034 0.000 1.320 227 I HN 0.771 nan 8.210 nan 0.000 0.458 228 S N 4.514 120.227 115.700 0.021 0.000 2.517 228 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 228 S C 0.800 175.409 174.600 0.016 0.000 1.060 228 S CA -0.053 58.157 58.200 0.018 0.000 0.937 228 S CB 0.150 63.358 63.200 0.013 0.000 0.840 228 S HN 0.610 nan 8.310 nan 0.000 0.546 229 N N 1.059 119.767 118.700 0.013 0.000 2.499 229 N HA 0.271 5.011 4.740 -0.000 0.000 0.281 229 N C 0.441 175.958 175.510 0.012 0.000 1.098 229 N CA -0.214 52.842 53.050 0.010 0.000 0.979 229 N CB 1.070 39.561 38.487 0.007 0.000 1.121 229 N HN 0.166 nan 8.380 nan 0.000 0.466 230 I N 3.259 123.835 120.570 0.011 0.000 2.493 230 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 230 I C 2.424 178.544 176.117 0.006 0.000 1.160 230 I CA 0.499 61.806 61.300 0.011 0.000 1.445 230 I CB -0.591 37.415 38.000 0.010 0.000 1.086 230 I HN 0.617 nan 8.210 nan 0.000 0.433 231 R N 1.622 122.124 120.500 0.003 0.000 2.222 231 R HA -0.359 3.981 4.340 -0.000 0.000 0.235 231 R C 2.160 178.459 176.300 -0.001 0.000 1.112 231 R CA 2.789 58.890 56.100 0.000 0.000 0.897 231 R CB -0.440 29.860 30.300 0.001 0.000 0.882 231 R HN 0.319 nan 8.270 nan 0.000 0.429 232 E N -0.037 120.163 120.200 0.000 0.000 2.233 232 E HA -0.278 4.072 4.350 -0.000 0.000 0.210 232 E C 1.877 178.473 176.600 -0.005 0.000 1.046 232 E CA 2.392 58.791 56.400 -0.001 0.000 0.844 232 E CB -0.314 29.387 29.700 0.003 0.000 0.741 232 E HN 0.369 nan 8.360 nan 0.000 0.465 233 M N -0.317 119.280 119.600 -0.004 0.000 2.099 233 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 233 M C 1.965 178.254 176.300 -0.019 0.000 1.067 233 M CA 1.187 56.481 55.300 -0.010 0.000 1.124 233 M CB -0.610 31.987 32.600 -0.005 0.000 1.353 233 M HN 0.071 nan 8.290 nan 0.000 0.410 234 L N 0.013 121.227 121.223 -0.015 0.000 2.166 234 L HA -0.329 4.011 4.340 -0.000 0.000 0.228 234 L C -0.424 176.429 176.870 -0.027 0.000 1.101 234 L CA 2.042 56.871 54.840 -0.019 0.000 0.821 234 L CB -2.847 39.204 42.059 -0.013 0.000 0.908 234 L HN 0.258 nan 8.230 nan 0.000 0.447 235 P HA -0.161 nan 4.420 nan 0.000 0.210 235 P C 1.829 179.098 177.300 -0.052 0.000 1.189 235 P CA 2.522 65.601 63.100 -0.034 0.000 0.920 235 P CB -0.316 31.367 31.700 -0.028 0.000 0.782 236 V N -1.725 118.155 119.914 -0.056 0.000 2.295 236 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 236 V C 2.696 178.731 176.094 -0.099 0.000 1.049 236 V CA 1.727 63.976 62.300 -0.086 0.000 1.024 236 V CB -2.226 29.554 31.823 -0.071 0.000 0.648 236 V HN -0.088 nan 8.190 nan 0.000 0.447 237 L N 1.121 122.305 121.223 -0.066 0.000 2.189 237 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 237 L C 2.511 179.342 176.870 -0.065 0.000 1.097 237 L CA 2.538 57.343 54.840 -0.059 0.000 0.764 237 L CB -0.799 41.239 42.059 -0.034 0.000 0.900 237 L HN 0.687 nan 8.230 nan 0.000 0.436 238 E N -1.494 118.667 120.200 -0.065 0.000 2.276 238 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 238 E C 2.061 178.611 176.600 -0.083 0.000 0.983 238 E CA 0.620 56.985 56.400 -0.059 0.000 0.861 238 E CB 0.057 29.730 29.700 -0.044 0.000 0.817 238 E HN 0.544 nan 8.360 nan 0.000 0.485 239 A N 1.118 123.869 122.820 -0.115 0.000 1.873 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 239 A C 2.313 179.760 177.584 -0.229 0.000 1.186 239 A CA 1.584 53.526 52.037 -0.158 0.000 0.616 239 A CB -0.842 18.047 19.000 -0.184 0.000 0.823 239 A HN 0.298 nan 8.150 nan 0.000 0.442 240 V N -3.025 116.716 119.914 -0.288 0.000 3.380 240 V HA 0.251 4.371 4.120 -0.000 0.000 0.268 240 V C 2.102 178.122 176.094 -0.123 0.000 1.168 240 V CA 1.294 63.393 62.300 -0.336 0.000 1.156 240 V CB -1.033 30.600 31.823 -0.317 0.000 0.785 240 V HN 0.487 nan 8.190 nan 0.000 0.487 241 A N 0.995 123.759 122.820 -0.093 0.000 1.861 241 A HA 0.049 4.369 4.320 -0.000 0.000 0.212 241 A C 2.238 179.804 177.584 -0.030 0.000 1.199 241 A CA 1.362 53.372 52.037 -0.044 0.000 0.613 241 A CB -0.353 18.623 19.000 -0.040 0.000 0.846 241 A HN 0.511 nan 8.150 nan 0.000 0.446 242 K N -0.043 120.332 120.400 -0.042 0.000 2.459 242 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 242 K C 1.606 178.199 176.600 -0.012 0.000 1.030 242 K CA 0.558 56.830 56.287 -0.024 0.000 1.026 242 K CB -0.014 32.469 32.500 -0.029 0.000 0.809 242 K HN 0.418 nan 8.250 nan 0.000 0.504 243 A N 0.648 123.453 122.820 -0.024 0.000 2.178 243 A HA 0.161 4.481 4.320 -0.000 0.000 0.211 243 A C 1.518 179.164 177.584 0.102 0.000 1.157 243 A CA 0.712 52.771 52.037 0.036 0.000 0.780 243 A CB -0.293 18.675 19.000 -0.053 0.000 0.828 243 A HN 0.351 nan 8.150 nan 0.000 0.476 244 G N -0.405 108.432 108.800 0.060 0.000 2.203 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G C 0.163 175.121 174.900 0.097 0.000 1.012 244 G CA 1.095 46.233 45.100 0.063 0.000 0.749 244 G HN 0.624 nan 8.290 nan 0.000 0.512 245 K N -0.144 120.362 120.400 0.176 0.000 2.340 245 K HA 0.570 4.890 4.320 -0.000 0.000 0.244 245 K C -2.534 174.178 176.600 0.186 0.000 0.973 245 K CA -2.258 54.153 56.287 0.205 0.000 0.828 245 K CB 2.030 34.735 32.500 0.341 0.000 1.226 245 K HN -0.037 nan 8.250 nan 0.000 0.437 246 P HA 0.173 nan 4.420 nan 0.000 0.275 246 P C -1.257 176.131 177.300 0.145 0.000 1.266 246 P CA -0.631 62.514 63.100 0.077 0.000 0.793 246 P CB 0.525 32.238 31.700 0.023 0.000 1.074 247 L N 0.781 122.048 121.223 0.074 0.000 2.472 247 L HA 0.506 4.846 4.340 -0.000 0.000 0.260 247 L C -1.927 174.959 176.870 0.028 0.000 0.963 247 L CA -0.808 54.092 54.840 0.100 0.000 0.829 247 L CB 1.799 43.903 42.059 0.075 0.000 1.348 247 L HN 0.281 nan 8.230 nan 0.000 0.408 248 L N 4.915 126.170 121.223 0.053 0.000 2.342 248 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 248 L C -1.004 175.898 176.870 0.054 0.000 1.008 248 L CA -0.562 54.298 54.840 0.033 0.000 0.818 248 L CB 2.079 44.164 42.059 0.043 0.000 1.296 248 L HN 0.663 nan 8.230 nan 0.000 0.427 249 I N 4.555 125.160 120.570 0.057 0.000 2.646 249 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 249 I C -0.697 175.480 176.117 0.101 0.000 1.036 249 I CA -0.671 60.671 61.300 0.071 0.000 1.074 249 I CB 2.540 40.576 38.000 0.060 0.000 1.258 249 I HN 0.450 nan 8.210 nan 0.000 0.430 250 I N 4.548 125.171 120.570 0.088 0.000 2.563 250 I HA 0.701 4.871 4.170 -0.000 0.000 0.285 250 I C -0.414 175.731 176.117 0.047 0.000 1.123 250 I CA -0.114 61.237 61.300 0.086 0.000 1.059 250 I CB 1.776 39.837 38.000 0.100 0.000 1.229 250 I HN 0.778 nan 8.210 nan 0.000 0.442 251 A N 4.557 127.400 122.820 0.040 0.000 2.493 251 A HA 0.536 4.856 4.320 -0.000 0.000 0.300 251 A C 0.509 178.107 177.584 0.022 0.000 1.152 251 A CA -0.489 51.562 52.037 0.024 0.000 0.643 251 A CB 0.953 19.971 19.000 0.031 0.000 1.316 251 A HN 0.500 nan 8.150 nan 0.000 0.469 252 E N 0.450 120.662 120.200 0.020 0.000 2.072 252 E HA -0.186 4.164 4.350 -0.000 0.000 0.218 252 E C 0.143 176.761 176.600 0.030 0.000 1.051 252 E CA 2.184 58.597 56.400 0.022 0.000 0.880 252 E CB 0.023 29.736 29.700 0.023 0.000 0.783 252 E HN 0.635 nan 8.360 nan 0.000 0.473 253 D N -2.527 117.895 120.400 0.037 0.000 3.010 253 D HA 0.216 4.856 4.640 -0.000 0.000 0.353 253 D C -1.636 174.695 176.300 0.051 0.000 1.415 253 D CA -0.395 53.633 54.000 0.046 0.000 0.864 253 D CB 1.359 42.181 40.800 0.036 0.000 1.445 253 D HN -0.138 nan 8.370 nan 0.000 0.516 254 V N 1.594 121.541 119.914 0.055 0.000 2.577 254 V HA 0.286 4.406 4.120 -0.000 0.000 0.294 254 V C -0.885 175.235 176.094 0.043 0.000 1.052 254 V CA -0.744 61.590 62.300 0.056 0.000 0.891 254 V CB 1.587 33.461 31.823 0.084 0.000 1.017 254 V HN 0.383 nan 8.190 nan 0.000 0.436 255 E N 2.376 122.594 120.200 0.030 0.000 2.354 255 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 255 E C 1.454 178.063 176.600 0.016 0.000 1.036 255 E CA 0.673 57.084 56.400 0.018 0.000 0.876 255 E CB 1.281 30.989 29.700 0.013 0.000 1.009 255 E HN 0.713 nan 8.360 nan 0.000 0.416 256 G N 2.692 111.494 108.800 0.003 0.000 2.663 256 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G C 1.312 176.212 174.900 0.000 0.000 1.146 256 G CA 1.526 46.622 45.100 -0.007 0.000 0.764 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.392 120.593 120.200 0.002 0.000 2.082 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.215 257 E C 2.656 179.263 176.600 0.011 0.000 1.048 257 E CA 1.970 58.373 56.400 0.004 0.000 0.869 257 E CB -0.406 29.297 29.700 0.005 0.000 0.773 257 E HN 0.442 nan 8.360 nan 0.000 0.466 258 A N 0.455 123.287 122.820 0.019 0.000 1.943 258 A HA 0.055 4.375 4.320 -0.000 0.000 0.213 258 A C 2.123 179.735 177.584 0.047 0.000 1.181 258 A CA 0.601 52.656 52.037 0.030 0.000 0.653 258 A CB -0.441 18.578 19.000 0.032 0.000 0.833 258 A HN 0.410 nan 8.150 nan 0.000 0.451 259 L N -0.216 121.035 121.223 0.048 0.000 1.937 259 L HA -0.096 4.244 4.340 -0.000 0.000 0.213 259 L C 2.826 179.723 176.870 0.045 0.000 1.077 259 L CA 1.675 56.556 54.840 0.068 0.000 0.758 259 L CB -0.579 41.507 42.059 0.045 0.000 0.888 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 A N -0.286 122.531 122.820 -0.005 0.000 1.954 260 A HA -0.363 3.957 4.320 -0.000 0.000 0.222 260 A C 2.296 179.870 177.584 -0.016 0.000 1.199 260 A CA 3.173 55.185 52.037 -0.042 0.000 0.657 260 A CB -1.651 17.317 19.000 -0.053 0.000 0.823 260 A HN 0.756 nan 8.150 nan 0.000 0.463 261 T N -1.445 113.115 114.554 0.010 0.000 2.684 261 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 261 T C 1.839 176.566 174.700 0.046 0.000 1.036 261 T CA 1.527 63.639 62.100 0.019 0.000 1.148 261 T CB -0.712 68.167 68.868 0.019 0.000 0.863 261 T HN 0.345 nan 8.240 nan 0.000 0.436 262 L N 0.867 122.140 121.223 0.083 0.000 1.989 262 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 262 L C 3.017 180.007 176.870 0.200 0.000 1.071 262 L CA 1.218 56.135 54.840 0.128 0.000 0.749 262 L CB -0.990 41.173 42.059 0.173 0.000 0.890 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 V N -0.185 119.871 119.914 0.236 0.000 2.236 263 V HA -0.366 3.754 4.120 -0.000 0.000 0.255 263 V C 2.417 178.585 176.094 0.123 0.000 1.068 263 V CA 2.307 64.722 62.300 0.193 0.000 1.044 263 V CB -0.712 31.050 31.823 -0.102 0.000 0.653 263 V HN 0.250 nan 8.190 nan 0.000 0.448 264 V N 0.449 120.387 119.914 0.040 0.000 2.270 264 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 264 V C 2.420 178.547 176.094 0.055 0.000 1.043 264 V CA 2.177 64.496 62.300 0.031 0.000 1.014 264 V CB -1.102 30.721 31.823 0.001 0.000 0.645 264 V HN 0.693 nan 8.190 nan 0.000 0.447 265 N N 0.847 119.579 118.700 0.053 0.000 2.187 265 N HA -0.261 4.479 4.740 -0.000 0.000 0.194 265 N C 1.798 177.336 175.510 0.047 0.000 1.002 265 N CA 2.725 55.801 53.050 0.042 0.000 0.882 265 N CB -0.061 38.449 38.487 0.039 0.000 1.003 265 N HN 0.751 nan 8.380 nan 0.000 0.443 266 T N -1.663 112.938 114.554 0.078 0.000 2.988 266 T HA 0.079 4.429 4.350 -0.000 0.000 0.240 266 T C 1.414 176.167 174.700 0.088 0.000 1.014 266 T CA 0.230 62.373 62.100 0.072 0.000 1.155 266 T CB -0.507 68.409 68.868 0.079 0.000 0.872 266 T HN 0.283 nan 8.240 nan 0.000 0.440 267 M N 1.885 121.562 119.600 0.129 0.000 2.921 267 M HA 0.563 5.043 4.480 -0.000 0.000 0.319 267 M C 0.543 176.891 176.300 0.079 0.000 1.710 267 M CA 0.553 55.927 55.300 0.124 0.000 1.471 267 M CB -1.159 31.552 32.600 0.184 0.000 1.832 267 M HN 0.538 nan 8.290 nan 0.000 0.467 268 R N 1.062 121.596 120.500 0.057 0.000 3.125 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.258 268 R C -0.322 175.998 176.300 0.034 0.000 0.968 268 R CA 0.845 56.969 56.100 0.039 0.000 0.656 268 R CB -3.059 27.265 30.300 0.038 0.000 1.251 268 R HN 1.657 nan 8.270 nan 0.000 0.428 269 G N -1.069 107.749 108.800 0.031 0.000 2.690 269 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 269 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 269 G C 0.927 175.837 174.900 0.016 0.000 1.403 269 G CA -0.276 44.839 45.100 0.024 0.000 0.864 269 G HN 0.506 nan 8.290 nan 0.000 0.480 270 I N -0.250 120.326 120.570 0.010 0.000 2.126 270 I HA -0.144 4.026 4.170 -0.000 0.000 0.200 270 I C 1.076 177.195 176.117 0.003 0.000 1.014 270 I CA 0.947 62.251 61.300 0.005 0.000 1.339 270 I CB -0.414 37.587 38.000 0.002 0.000 1.086 270 I HN 0.050 nan 8.210 nan 0.000 0.393 271 V N 2.430 122.343 119.914 -0.002 0.000 2.450 271 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 271 V C 0.220 176.307 176.094 -0.011 0.000 1.019 271 V CA 0.114 62.410 62.300 -0.007 0.000 1.062 271 V CB 0.148 31.962 31.823 -0.015 0.000 0.979 271 V HN 0.266 nan 8.190 nan 0.000 0.477 272 K N 4.944 125.336 120.400 -0.014 0.000 2.293 272 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 272 K C -0.613 175.947 176.600 -0.067 0.000 1.010 272 K CA -0.423 55.846 56.287 -0.030 0.000 0.875 272 K CB 1.361 33.853 32.500 -0.013 0.000 1.106 272 K HN 0.665 nan 8.250 nan 0.000 0.450 273 V N -0.321 119.512 119.914 -0.135 0.000 3.112 273 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 273 V C -1.395 174.396 176.094 -0.505 0.000 1.364 273 V CA -0.827 61.348 62.300 -0.207 0.000 1.058 273 V CB 1.448 33.195 31.823 -0.127 0.000 1.079 273 V HN 0.782 nan 8.190 nan 0.000 0.463 274 A N -0.498 122.008 122.820 -0.524 0.000 2.581 274 A HA 1.107 5.427 4.320 -0.000 0.000 0.290 274 A C -0.594 176.817 177.584 -0.289 0.000 1.119 274 A CA -0.325 51.144 52.037 -0.946 0.000 0.670 274 A CB 1.146 19.555 19.000 -0.985 0.000 1.280 274 A HN 2.793 nan 8.150 nan 0.000 0.425 275 A N -0.706 122.111 122.820 -0.004 0.000 2.594 275 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 275 A C -0.828 176.921 177.584 0.275 0.000 1.071 275 A CA 0.022 52.153 52.037 0.157 0.000 0.685 275 A CB 1.194 20.279 19.000 0.142 0.000 1.285 275 A HN 2.392 nan 8.150 nan 0.000 0.405 276 V N -1.314 118.731 119.914 0.219 0.000 3.049 276 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 276 V C -0.413 175.786 176.094 0.175 0.000 1.148 276 V CA -1.268 61.167 62.300 0.225 0.000 0.990 276 V CB 1.386 33.368 31.823 0.264 0.000 1.039 276 V HN 0.948 nan 8.190 nan 0.000 0.430 277 K N 1.685 122.167 120.400 0.135 0.000 2.344 277 K HA 0.580 4.900 4.320 -0.000 0.000 0.260 277 K C 0.383 176.987 176.600 0.006 0.000 0.988 277 K CA 0.522 56.851 56.287 0.070 0.000 0.909 277 K CB 0.571 33.102 32.500 0.051 0.000 0.968 277 K HN 1.139 nan 8.250 nan 0.000 0.505 278 A N 3.017 125.800 122.820 -0.061 0.000 2.316 278 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 278 A C -2.108 175.321 177.584 -0.257 0.000 1.115 278 A CA -1.479 50.437 52.037 -0.201 0.000 0.812 278 A CB -0.010 18.916 19.000 -0.123 0.000 1.064 278 A HN 0.498 nan 8.150 nan 0.000 0.489 279 P HA 0.365 nan 4.420 nan 0.000 0.272 279 P C 0.549 177.773 177.300 -0.127 0.000 1.240 279 P CA 1.193 64.090 63.100 -0.339 0.000 0.791 279 P CB 0.450 31.821 31.700 -0.548 0.000 0.978 280 G N 0.853 109.656 108.800 0.005 0.000 2.901 280 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G C -0.820 174.182 174.900 0.169 0.000 1.550 280 G CA -0.221 44.918 45.100 0.064 0.000 0.978 280 G HN 0.656 nan 8.290 nan 0.000 0.566 281 F N -0.297 119.636 119.950 -0.028 0.000 2.565 281 F HA 0.835 5.362 4.527 0.000 0.000 0.313 281 F C 0.942 176.737 175.800 -0.008 0.000 1.091 281 F CA -0.305 57.685 58.000 -0.017 0.000 0.915 281 F CB 1.241 40.239 39.000 -0.003 0.000 1.208 281 F HN 2.315 nan 8.300 nan 0.000 0.453 282 G N 2.310 111.150 108.800 0.066 0.000 2.527 282 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G C 0.495 175.354 174.900 -0.068 0.000 1.175 282 G CA 0.425 45.523 45.100 -0.003 0.000 0.962 282 G HN 0.762 nan 8.290 nan 0.000 0.560 283 D N 0.397 120.744 120.400 -0.088 0.000 2.172 283 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 283 D C 2.434 178.666 176.300 -0.114 0.000 0.999 283 D CA 1.700 55.648 54.000 -0.085 0.000 0.856 283 D CB -0.135 40.617 40.800 -0.081 0.000 0.934 283 D HN 0.320 nan 8.370 nan 0.000 0.453 284 R N 1.065 121.455 120.500 -0.183 0.000 2.103 284 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 284 R C 2.379 178.602 176.300 -0.130 0.000 1.132 284 R CA 1.858 57.843 56.100 -0.192 0.000 0.925 284 R CB -0.517 29.601 30.300 -0.303 0.000 0.842 284 R HN 0.317 nan 8.270 nan 0.000 0.430 285 R N 0.807 121.243 120.500 -0.108 0.000 2.153 285 R HA -0.212 4.128 4.340 -0.000 0.000 0.252 285 R C 1.635 177.894 176.300 -0.068 0.000 1.158 285 R CA 1.673 57.727 56.100 -0.078 0.000 0.975 285 R CB -0.519 29.755 30.300 -0.044 0.000 0.871 285 R HN 0.034 nan 8.270 nan 0.000 0.450 286 K N 1.044 121.409 120.400 -0.058 0.000 1.998 286 K HA -0.232 4.088 4.320 -0.000 0.000 0.228 286 K C 2.307 178.880 176.600 -0.045 0.000 1.053 286 K CA 2.189 58.449 56.287 -0.045 0.000 0.988 286 K CB -0.950 31.524 32.500 -0.043 0.000 0.735 286 K HN 0.412 nan 8.250 nan 0.000 0.448 287 A N 1.745 124.534 122.820 -0.052 0.000 1.858 287 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 287 A C 2.290 179.845 177.584 -0.047 0.000 1.190 287 A CA 2.038 54.048 52.037 -0.046 0.000 0.617 287 A CB -0.455 18.514 19.000 -0.052 0.000 0.827 287 A HN 0.251 nan 8.150 nan 0.000 0.443 288 M N -1.259 118.303 119.600 -0.064 0.000 3.092 288 M HA -0.295 4.185 4.480 -0.000 0.000 0.270 288 M C 2.219 178.482 176.300 -0.061 0.000 1.042 288 M CA 2.297 57.553 55.300 -0.073 0.000 1.052 288 M CB -1.542 30.994 32.600 -0.106 0.000 1.250 288 M HN 0.478 nan 8.290 nan 0.000 0.529 289 L N 0.505 121.688 121.223 -0.067 0.000 2.013 289 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 289 L C 2.596 179.456 176.870 -0.015 0.000 1.073 289 L CA 2.323 57.136 54.840 -0.045 0.000 0.753 289 L CB -0.994 41.041 42.059 -0.039 0.000 0.890 289 L HN 0.416 nan 8.230 nan 0.000 0.432 290 Q N 0.019 119.808 119.800 -0.017 0.000 2.062 290 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 290 Q C 1.778 177.777 176.000 -0.000 0.000 0.996 290 Q CA 2.540 58.338 55.803 -0.008 0.000 0.859 290 Q CB -0.659 28.072 28.738 -0.013 0.000 0.920 290 Q HN 0.649 nan 8.270 nan 0.000 0.415 291 D N -0.165 120.232 120.400 -0.005 0.000 2.154 291 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 291 D C 1.858 178.171 176.300 0.021 0.000 1.003 291 D CA 2.021 56.024 54.000 0.005 0.000 0.849 291 D CB -0.347 40.454 40.800 0.002 0.000 0.942 291 D HN 0.389 nan 8.370 nan 0.000 0.446 292 I N 0.798 121.387 120.570 0.032 0.000 2.127 292 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 292 I C 2.492 178.635 176.117 0.043 0.000 1.075 292 I CA 1.176 62.510 61.300 0.057 0.000 1.334 292 I CB -0.462 37.588 38.000 0.084 0.000 1.040 292 I HN 0.003 nan 8.210 nan 0.000 0.405 293 A N 0.840 123.679 122.820 0.032 0.000 1.870 293 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 293 A C 2.378 179.976 177.584 0.023 0.000 1.224 293 A CA 3.120 55.174 52.037 0.028 0.000 0.650 293 A CB -1.455 17.557 19.000 0.019 0.000 0.836 293 A HN 0.439 nan 8.150 nan 0.000 0.454 294 T N 0.042 114.607 114.554 0.017 0.000 2.592 294 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 294 T C 1.836 176.545 174.700 0.014 0.000 1.060 294 T CA 1.921 64.028 62.100 0.013 0.000 1.167 294 T CB -0.648 68.225 68.868 0.009 0.000 0.863 294 T HN 0.420 nan 8.240 nan 0.000 0.431 295 L N 1.590 122.824 121.223 0.018 0.000 2.043 295 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 295 L C 2.598 179.476 176.870 0.014 0.000 1.075 295 L CA 2.582 57.432 54.840 0.016 0.000 0.752 295 L CB -1.323 40.750 42.059 0.024 0.000 0.891 295 L HN 0.530 nan 8.230 nan 0.000 0.432 296 T N -3.649 110.917 114.554 0.021 0.000 3.088 296 T HA 0.233 4.583 4.350 -0.000 0.000 0.259 296 T C 1.439 176.148 174.700 0.016 0.000 1.122 296 T CA 0.411 62.522 62.100 0.018 0.000 1.095 296 T CB -0.576 68.311 68.868 0.032 0.000 0.930 296 T HN 0.792 nan 8.240 nan 0.000 0.508 297 G N 0.650 109.460 108.800 0.017 0.000 2.221 297 G HA2 0.014 3.974 3.960 -0.000 0.000 0.265 297 G HA3 0.014 3.974 3.960 -0.000 0.000 0.265 297 G C 0.296 175.213 174.900 0.027 0.000 1.041 297 G CA -0.101 45.010 45.100 0.017 0.000 0.807 297 G HN 1.051 nan 8.290 nan 0.000 0.502 298 G N -1.592 107.228 108.800 0.032 0.000 2.552 298 G HA2 0.733 4.693 3.960 -0.000 0.000 0.324 298 G HA3 0.733 4.693 3.960 -0.000 0.000 0.324 298 G C -0.271 174.648 174.900 0.032 0.000 1.217 298 G CA 0.147 45.272 45.100 0.041 0.000 0.989 298 G HN 0.514 nan 8.290 nan 0.000 0.490 299 T N 0.266 114.839 114.554 0.032 0.000 2.829 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.282 299 T C 0.279 174.991 174.700 0.021 0.000 0.990 299 T CA -0.286 61.828 62.100 0.023 0.000 1.028 299 T CB 1.393 70.273 68.868 0.020 0.000 0.951 299 T HN 0.769 nan 8.240 nan 0.000 0.460 300 V N 1.722 121.645 119.914 0.015 0.000 2.385 300 V HA 0.507 4.627 4.120 -0.000 0.000 0.269 300 V C -0.205 175.895 176.094 0.009 0.000 1.043 300 V CA -0.928 61.379 62.300 0.012 0.000 0.906 300 V CB -0.170 31.657 31.823 0.007 0.000 0.995 300 V HN 0.647 nan 8.190 nan 0.000 0.467 301 I N 4.905 125.481 120.570 0.010 0.000 2.311 301 I HA 0.248 4.418 4.170 -0.000 0.000 0.297 301 I C 0.821 176.941 176.117 0.006 0.000 1.131 301 I CA 0.935 62.240 61.300 0.008 0.000 1.289 301 I CB 0.179 38.184 38.000 0.009 0.000 1.446 301 I HN 0.681 nan 8.210 nan 0.000 0.524 302 S N 5.746 121.448 115.700 0.004 0.000 2.429 302 S HA 0.278 4.748 4.470 -0.000 0.000 0.302 302 S C 1.055 175.657 174.600 0.003 0.000 1.115 302 S CA -0.716 57.486 58.200 0.002 0.000 1.095 302 S CB 1.384 64.584 63.200 0.000 0.000 0.987 302 S HN 0.464 nan 8.310 nan 0.000 0.474 303 E N 2.264 122.466 120.200 0.003 0.000 2.268 303 E HA -0.117 4.234 4.350 -0.000 0.000 0.195 303 E C 0.517 177.118 176.600 0.002 0.000 0.995 303 E CA 0.785 57.187 56.400 0.003 0.000 0.836 303 E CB 0.003 29.706 29.700 0.005 0.000 0.763 303 E HN 0.719 nan 8.360 nan 0.000 0.491 304 E N 0.154 120.355 120.200 0.002 0.000 2.382 304 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 304 E C 0.992 177.592 176.600 0.000 0.000 1.125 304 E CA 0.059 56.460 56.400 0.001 0.000 0.929 304 E CB 0.042 29.742 29.700 -0.000 0.000 1.053 304 E HN 0.264 nan 8.360 nan 0.000 0.475 305 I N -2.106 118.464 120.570 0.001 0.000 4.765 305 I HA 0.160 4.330 4.170 -0.000 0.000 0.349 305 I C 1.331 177.449 176.117 0.001 0.000 1.278 305 I CA 0.047 61.347 61.300 0.001 0.000 1.331 305 I CB 1.147 39.148 38.000 0.001 0.000 1.570 305 I HN 0.236 nan 8.210 nan 0.000 0.538 306 G N 2.020 110.821 108.800 0.001 0.000 2.284 306 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G C 0.483 175.384 174.900 0.001 0.000 1.012 306 G CA 0.038 45.139 45.100 0.001 0.000 0.618 306 G HN 0.258 nan 8.290 nan 0.000 0.521 307 M N 1.225 120.826 119.600 0.002 0.000 2.261 307 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 307 M C 0.550 176.852 176.300 0.002 0.000 1.343 307 M CA 1.005 56.306 55.300 0.002 0.000 1.003 307 M CB 0.457 33.058 32.600 0.002 0.000 1.848 307 M HN 0.416 nan 8.290 nan 0.000 0.456 308 E N 2.211 122.411 120.200 0.001 0.000 2.355 308 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 308 E C 0.141 176.742 176.600 0.001 0.000 0.943 308 E CA -0.680 55.721 56.400 0.002 0.000 0.806 308 E CB 1.486 31.186 29.700 0.001 0.000 1.286 308 E HN 0.733 nan 8.360 nan 0.000 0.424 309 L N 0.818 122.041 121.223 0.001 0.000 2.044 309 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 309 L C 2.146 179.013 176.870 -0.005 0.000 1.075 309 L CA 1.079 55.919 54.840 -0.001 0.000 0.747 309 L CB -0.424 41.636 42.059 0.002 0.000 0.903 309 L HN 0.623 nan 8.230 nan 0.000 0.435 310 E N 0.574 120.771 120.200 -0.005 0.000 2.219 310 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 310 E C 0.441 177.035 176.600 -0.009 0.000 0.998 310 E CA 0.999 57.394 56.400 -0.008 0.000 0.818 310 E CB -0.038 29.658 29.700 -0.006 0.000 0.741 310 E HN 0.220 nan 8.360 nan 0.000 0.477 311 K N 0.721 121.118 120.400 -0.006 0.000 2.502 311 K HA 0.347 4.667 4.320 -0.000 0.000 0.244 311 K C -1.021 175.575 176.600 -0.006 0.000 1.249 311 K CA -0.060 56.223 56.287 -0.006 0.000 1.193 311 K CB 1.104 33.602 32.500 -0.003 0.000 1.674 311 K HN 0.062 nan 8.250 nan 0.000 0.302 312 A N 0.346 123.160 122.820 -0.011 0.000 2.547 312 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 312 A C -0.724 176.847 177.584 -0.023 0.000 1.062 312 A CA -0.750 51.280 52.037 -0.012 0.000 0.748 312 A CB 1.166 20.161 19.000 -0.009 0.000 1.288 312 A HN 0.246 nan 8.150 nan 0.000 0.396 313 T N 2.069 116.610 114.554 -0.021 0.000 2.916 313 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 313 T C 1.247 175.929 174.700 -0.030 0.000 1.055 313 T CA -0.572 61.508 62.100 -0.033 0.000 1.009 313 T CB 1.097 69.951 68.868 -0.024 0.000 1.118 313 T HN 0.500 nan 8.240 nan 0.000 0.497 314 L N 1.288 122.475 121.223 -0.059 0.000 2.085 314 L HA -0.241 4.099 4.340 -0.000 0.000 0.218 314 L C 2.559 179.457 176.870 0.047 0.000 1.080 314 L CA 1.989 56.805 54.840 -0.040 0.000 0.776 314 L CB -1.180 40.834 42.059 -0.075 0.000 0.891 314 L HN 0.878 nan 8.230 nan 0.000 0.437 315 E N -0.976 119.244 120.200 0.033 0.000 2.448 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.203 315 E C 0.770 177.395 176.600 0.041 0.000 1.046 315 E CA 1.483 57.908 56.400 0.041 0.000 0.871 315 E CB -0.401 29.313 29.700 0.024 0.000 0.790 315 E HN 0.621 nan 8.360 nan 0.000 0.545 316 D N 0.063 120.485 120.400 0.037 0.000 2.417 316 D HA 0.100 4.740 4.640 -0.000 0.000 0.207 316 D C 0.117 176.449 176.300 0.054 0.000 1.075 316 D CA -0.059 53.962 54.000 0.035 0.000 0.851 316 D CB 0.376 41.188 40.800 0.020 0.000 0.976 316 D HN 0.116 nan 8.370 nan 0.000 0.505 317 L N 0.960 122.232 121.223 0.083 0.000 2.418 317 L HA 0.399 4.739 4.340 -0.000 0.000 0.265 317 L C 1.357 178.303 176.870 0.127 0.000 1.143 317 L CA -0.100 54.815 54.840 0.125 0.000 0.809 317 L CB 0.943 43.130 42.059 0.214 0.000 1.124 317 L HN -0.165 nan 8.230 nan 0.000 0.456 318 G N 0.413 109.276 108.800 0.106 0.000 2.557 318 G HA2 0.682 4.642 3.960 -0.000 0.000 0.302 318 G HA3 0.682 4.642 3.960 -0.000 0.000 0.302 318 G C -1.128 173.798 174.900 0.045 0.000 1.311 318 G CA -0.348 44.792 45.100 0.066 0.000 1.030 318 G HN 0.506 nan 8.290 nan 0.000 0.509 319 Q N -1.662 118.133 119.800 -0.008 0.000 2.386 319 Q HA 0.555 4.895 4.340 -0.000 0.000 0.274 319 Q C -1.320 174.640 176.000 -0.067 0.000 1.011 319 Q CA -0.754 55.002 55.803 -0.079 0.000 0.867 319 Q CB 2.540 31.185 28.738 -0.156 0.000 1.409 319 Q HN 0.878 nan 8.270 nan 0.000 0.395 320 A N 1.283 124.054 122.820 -0.081 0.000 2.486 320 A HA 0.420 4.740 4.320 -0.000 0.000 0.300 320 A C -0.185 177.352 177.584 -0.079 0.000 1.048 320 A CA -0.659 51.341 52.037 -0.062 0.000 0.696 320 A CB 1.298 20.275 19.000 -0.038 0.000 1.278 320 A HN 0.756 nan 8.150 nan 0.000 0.405 321 K N 0.166 120.525 120.400 -0.068 0.000 2.281 321 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 321 K C 0.668 177.232 176.600 -0.059 0.000 1.046 321 K CA 1.304 57.550 56.287 -0.068 0.000 0.938 321 K CB 0.026 32.494 32.500 -0.054 0.000 0.737 321 K HN 0.613 nan 8.250 nan 0.000 0.458 322 R N -1.271 119.198 120.500 -0.051 0.000 2.766 322 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 322 R C -1.903 174.373 176.300 -0.041 0.000 1.035 322 R CA -0.792 55.282 56.100 -0.043 0.000 0.911 322 R CB 2.673 32.952 30.300 -0.037 0.000 1.243 322 R HN -0.105 nan 8.270 nan 0.000 0.460 323 V N 1.013 120.905 119.914 -0.036 0.000 2.915 323 V HA 0.479 4.599 4.120 -0.000 0.000 0.273 323 V C -1.923 174.153 176.094 -0.029 0.000 1.538 323 V CA -0.578 61.697 62.300 -0.040 0.000 0.946 323 V CB 1.917 33.719 31.823 -0.034 0.000 1.183 323 V HN 0.618 nan 8.190 nan 0.000 0.446 324 V N 4.741 124.633 119.914 -0.036 0.000 2.789 324 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 324 V C -1.066 175.024 176.094 -0.006 0.000 1.073 324 V CA -0.672 61.622 62.300 -0.010 0.000 0.921 324 V CB 1.859 33.678 31.823 -0.007 0.000 1.009 324 V HN 0.830 nan 8.190 nan 0.000 0.426 325 I N 4.658 125.260 120.570 0.054 0.000 2.689 325 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 325 I C -0.135 176.086 176.117 0.173 0.000 1.059 325 I CA -0.304 61.054 61.300 0.096 0.000 1.055 325 I CB 2.197 40.306 38.000 0.181 0.000 1.243 325 I HN 1.013 nan 8.210 nan 0.000 0.425 326 N N 4.016 122.791 118.700 0.125 0.000 2.701 326 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 326 N C 0.614 176.109 175.510 -0.025 0.000 1.338 326 N CA -0.776 52.367 53.050 0.155 0.000 0.799 326 N CB 1.311 39.842 38.487 0.073 0.000 1.491 326 N HN 0.560 nan 8.380 nan 0.000 0.540 327 K N -0.381 120.018 120.400 -0.002 0.000 2.137 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 327 K C -0.458 175.850 176.600 -0.487 0.000 1.052 327 K CA 2.930 59.035 56.287 -0.304 0.000 0.939 327 K CB -0.354 32.116 32.500 -0.051 0.000 0.724 327 K HN 0.812 nan 8.250 nan 0.000 0.465 328 D N -1.626 118.637 120.400 -0.228 0.000 2.914 328 D HA 0.144 4.784 4.640 -0.000 0.000 0.349 328 D C -1.072 175.194 176.300 -0.057 0.000 1.540 328 D CA -0.433 53.476 54.000 -0.152 0.000 0.778 328 D CB 0.623 41.369 40.800 -0.090 0.000 1.213 328 D HN -0.023 nan 8.370 nan 0.000 0.451 329 T N -0.201 114.319 114.554 -0.057 0.000 3.295 329 T HA 0.452 4.802 4.350 -0.000 0.000 0.331 329 T C -0.832 173.811 174.700 -0.095 0.000 1.142 329 T CA -0.407 61.669 62.100 -0.039 0.000 1.078 329 T CB 2.025 70.878 68.868 -0.025 0.000 1.150 329 T HN -0.072 nan 8.240 nan 0.000 0.465 330 T N 2.254 116.668 114.554 -0.233 0.000 2.895 330 T HA 0.799 5.149 4.350 -0.000 0.000 0.283 330 T C -0.271 174.107 174.700 -0.536 0.000 1.014 330 T CA -0.620 61.243 62.100 -0.395 0.000 1.037 330 T CB 1.687 70.213 68.868 -0.569 0.000 1.006 330 T HN 0.680 nan 8.240 nan 0.000 0.468 331 T N 2.428 116.773 114.554 -0.348 0.000 3.395 331 T HA 0.538 4.888 4.350 -0.000 0.000 0.330 331 T C -0.941 173.660 174.700 -0.164 0.000 1.076 331 T CA -0.855 61.086 62.100 -0.264 0.000 1.070 331 T CB 0.124 68.896 68.868 -0.161 0.000 1.119 331 T HN 0.631 nan 8.240 nan 0.000 0.462 332 I N 2.755 123.243 120.570 -0.136 0.000 2.607 332 I HA 0.771 4.941 4.170 -0.000 0.000 0.305 332 I C -0.949 175.137 176.117 -0.052 0.000 0.995 332 I CA -1.351 59.906 61.300 -0.072 0.000 1.148 332 I CB 1.761 39.738 38.000 -0.039 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.267 123.812 120.570 -0.042 0.000 2.447 333 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 333 I C -1.100 174.997 176.117 -0.033 0.000 1.023 333 I CA -0.375 60.903 61.300 -0.036 0.000 1.083 333 I CB 1.577 39.555 38.000 -0.037 0.000 1.245 333 I HN 0.729 nan 8.210 nan 0.000 0.434 334 D N 5.023 125.407 120.400 -0.027 0.000 4.161 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.246 334 D C -0.070 176.215 176.300 -0.026 0.000 1.064 334 D CA 0.848 54.833 54.000 -0.026 0.000 1.187 334 D CB -0.154 40.627 40.800 -0.030 0.000 0.871 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.409 110.198 108.800 -0.017 0.000 2.390 335 G HA2 0.427 4.387 3.960 -0.000 0.000 0.270 335 G HA3 0.427 4.387 3.960 -0.000 0.000 0.270 335 G C 1.391 176.281 174.900 -0.017 0.000 1.211 335 G CA -0.345 44.747 45.100 -0.014 0.000 0.842 335 G HN 0.394 nan 8.290 nan 0.000 0.519 336 V N 2.660 122.561 119.914 -0.022 0.000 3.305 336 V HA 0.030 4.150 4.120 -0.000 0.000 0.269 336 V C 2.050 178.138 176.094 -0.010 0.000 1.157 336 V CA 0.667 62.954 62.300 -0.021 0.000 1.157 336 V CB -1.122 30.682 31.823 -0.032 0.000 0.772 336 V HN 0.773 nan 8.190 nan 0.000 0.498 337 G N 1.216 110.014 108.800 -0.004 0.000 2.272 337 G HA2 0.072 4.032 3.960 -0.000 0.000 0.247 337 G HA3 0.072 4.032 3.960 -0.000 0.000 0.247 337 G C 0.064 174.963 174.900 -0.001 0.000 1.272 337 G CA -0.276 44.825 45.100 0.001 0.000 0.921 337 G HN 0.321 nan 8.290 nan 0.000 0.495 338 E N 2.298 122.498 120.200 -0.000 0.000 2.558 338 E HA -0.054 4.296 4.350 -0.000 0.000 0.255 338 E C 1.290 177.889 176.600 -0.001 0.000 0.968 338 E CA -0.041 56.359 56.400 -0.001 0.000 0.939 338 E CB 0.738 30.438 29.700 0.000 0.000 0.921 338 E HN 0.561 nan 8.360 nan 0.000 0.477 339 E N 2.717 122.916 120.200 -0.003 0.000 2.097 339 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 339 E C 1.790 178.389 176.600 -0.002 0.000 1.000 339 E CA 1.552 57.950 56.400 -0.003 0.000 0.804 339 E CB -0.259 29.439 29.700 -0.004 0.000 0.740 339 E HN 0.617 nan 8.360 nan 0.000 0.454 340 A N 1.717 124.535 122.820 -0.002 0.000 1.884 340 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 340 A C 2.458 180.041 177.584 -0.001 0.000 1.197 340 A CA 2.888 54.924 52.037 -0.001 0.000 0.637 340 A CB -0.890 18.109 19.000 -0.001 0.000 0.827 340 A HN 0.318 nan 8.150 nan 0.000 0.450 341 A N -0.056 122.764 122.820 -0.000 0.000 1.834 341 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 341 A C 2.133 179.717 177.584 0.000 0.000 1.203 341 A CA 1.642 53.680 52.037 0.001 0.000 0.621 341 A CB -0.881 18.120 19.000 0.002 0.000 0.841 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -0.372 120.199 120.570 0.001 0.000 2.053 342 I HA -0.384 3.786 4.170 -0.000 0.000 0.236 342 I C 2.799 178.915 176.117 -0.001 0.000 1.038 342 I CA 1.871 63.172 61.300 0.001 0.000 1.304 342 I CB -0.730 37.271 38.000 0.001 0.000 1.023 342 I HN 0.384 nan 8.210 nan 0.000 0.395 343 Q N 0.801 120.600 119.800 -0.001 0.000 2.152 343 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 343 Q C 2.300 178.298 176.000 -0.003 0.000 0.985 343 Q CA 2.002 57.804 55.803 -0.002 0.000 0.863 343 Q CB -1.122 27.614 28.738 -0.003 0.000 0.904 343 Q HN 0.713 nan 8.270 nan 0.000 0.422 344 G N 0.973 109.772 108.800 -0.002 0.000 2.433 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G C 1.615 176.513 174.900 -0.004 0.000 1.186 344 G CA 1.003 46.101 45.100 -0.003 0.000 0.779 344 G HN 0.303 nan 8.290 nan 0.000 0.543 345 R N 0.290 120.788 120.500 -0.003 0.000 2.119 345 R HA -0.110 4.230 4.340 -0.000 0.000 0.246 345 R C 2.611 178.907 176.300 -0.006 0.000 1.146 345 R CA 1.751 57.848 56.100 -0.004 0.000 0.962 345 R CB -0.951 29.348 30.300 -0.003 0.000 0.863 345 R HN 0.253 nan 8.270 nan 0.000 0.442 346 V N 0.661 120.572 119.914 -0.005 0.000 2.231 346 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 346 V C 2.406 178.495 176.094 -0.008 0.000 1.054 346 V CA 2.180 64.476 62.300 -0.006 0.000 1.015 346 V CB -1.277 30.543 31.823 -0.005 0.000 0.638 346 V HN 0.591 nan 8.190 nan 0.000 0.444 347 A N -0.636 122.180 122.820 -0.006 0.000 1.896 347 A HA -0.384 3.936 4.320 -0.000 0.000 0.220 347 A C 2.149 179.728 177.584 -0.008 0.000 1.206 347 A CA 2.630 54.663 52.037 -0.007 0.000 0.647 347 A CB -0.697 18.300 19.000 -0.005 0.000 0.828 347 A HN 0.698 nan 8.150 nan 0.000 0.455 348 Q N -0.542 119.253 119.800 -0.009 0.000 1.967 348 Q HA -0.217 4.123 4.340 -0.000 0.000 0.210 348 Q C 2.181 178.173 176.000 -0.013 0.000 1.005 348 Q CA 1.938 57.735 55.803 -0.010 0.000 0.862 348 Q CB -0.499 28.233 28.738 -0.010 0.000 0.939 348 Q HN 0.752 nan 8.270 nan 0.000 0.417 349 I N 0.427 120.988 120.570 -0.015 0.000 2.087 349 I HA -0.357 3.813 4.170 -0.000 0.000 0.240 349 I C 2.549 178.654 176.117 -0.018 0.000 1.054 349 I CA 1.163 62.451 61.300 -0.020 0.000 1.311 349 I CB -0.512 37.476 38.000 -0.021 0.000 1.024 349 I HN 0.232 nan 8.210 nan 0.000 0.402 350 R N 0.597 121.088 120.500 -0.015 0.000 2.168 350 R HA -0.312 4.028 4.340 -0.000 0.000 0.242 350 R C 2.143 178.436 176.300 -0.013 0.000 1.123 350 R CA 2.177 58.269 56.100 -0.013 0.000 0.928 350 R CB -1.256 29.038 30.300 -0.010 0.000 0.873 350 R HN 0.562 nan 8.270 nan 0.000 0.434 351 Q N 0.834 120.627 119.800 -0.011 0.000 1.998 351 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 351 Q C 2.089 178.082 176.000 -0.012 0.000 1.002 351 Q CA 2.268 58.065 55.803 -0.010 0.000 0.858 351 Q CB -0.129 28.603 28.738 -0.009 0.000 0.932 351 Q HN 0.469 nan 8.270 nan 0.000 0.416 352 Q N -0.158 119.633 119.800 -0.015 0.000 2.315 352 Q HA -0.211 4.129 4.340 -0.000 0.000 0.213 352 Q C 1.873 177.861 176.000 -0.020 0.000 0.994 352 Q CA 1.578 57.370 55.803 -0.019 0.000 0.906 352 Q CB -0.358 28.366 28.738 -0.024 0.000 0.918 352 Q HN 0.562 nan 8.270 nan 0.000 0.427 353 I N 1.158 121.716 120.570 -0.019 0.000 3.444 353 I HA -0.168 4.002 4.170 -0.000 0.000 0.287 353 I C 2.272 178.382 176.117 -0.012 0.000 1.302 353 I CA 0.551 61.840 61.300 -0.019 0.000 1.368 353 I CB -0.533 37.456 38.000 -0.018 0.000 1.048 353 I HN 0.322 nan 8.210 nan 0.000 0.487 354 E N 1.405 121.599 120.200 -0.010 0.000 2.106 354 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 354 E C 1.551 178.148 176.600 -0.005 0.000 0.984 354 E CA 1.118 57.514 56.400 -0.007 0.000 0.806 354 E CB -0.198 29.498 29.700 -0.007 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 E N 1.465 121.661 120.200 -0.007 0.000 2.086 355 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 355 E C 1.426 178.025 176.600 -0.001 0.000 1.012 355 E CA 1.729 58.127 56.400 -0.005 0.000 0.812 355 E CB -0.571 29.124 29.700 -0.007 0.000 0.743 355 E HN 0.495 nan 8.360 nan 0.000 0.453 356 A N -0.229 122.589 122.820 -0.003 0.000 2.723 356 A HA -0.313 4.007 4.320 -0.000 0.000 0.305 356 A C 1.349 178.939 177.584 0.010 0.000 1.513 356 A CA 1.465 53.503 52.037 0.002 0.000 0.925 356 A CB -2.396 16.605 19.000 0.002 0.000 0.956 356 A HN 0.269 nan 8.150 nan 0.000 0.508 357 T N -0.421 114.139 114.554 0.010 0.000 3.320 357 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 357 T C 0.484 175.201 174.700 0.028 0.000 1.176 357 T CA 1.362 63.471 62.100 0.016 0.000 1.037 357 T CB -0.507 68.369 68.868 0.013 0.000 0.958 357 T HN 1.556 nan 8.240 nan 0.000 0.545 358 S N -0.215 115.506 115.700 0.035 0.000 2.678 358 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 358 S C -1.309 173.330 174.600 0.066 0.000 1.047 358 S CA -0.796 57.440 58.200 0.059 0.000 0.851 358 S CB 0.683 63.940 63.200 0.095 0.000 1.058 358 S HN 0.064 nan 8.310 nan 0.000 0.451 359 D N 1.559 122.006 120.400 0.079 0.000 2.352 359 D HA 0.155 4.795 4.640 -0.000 0.000 0.232 359 D C 0.681 177.059 176.300 0.130 0.000 1.055 359 D CA 0.508 54.554 54.000 0.076 0.000 0.891 359 D CB 0.042 40.879 40.800 0.061 0.000 0.897 359 D HN 0.498 nan 8.370 nan 0.000 0.529 360 Y N 0.435 120.732 120.300 -0.005 0.000 2.559 360 Y HA 0.103 4.653 4.550 -0.000 0.000 0.279 360 Y C 0.997 176.888 175.900 -0.015 0.000 1.117 360 Y CA 0.645 58.741 58.100 -0.007 0.000 1.263 360 Y CB 0.372 38.828 38.460 -0.007 0.000 1.230 360 Y HN -0.205 nan 8.280 nan 0.000 0.528 361 D N -0.179 120.224 120.400 0.004 0.000 2.162 361 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 361 D C 2.055 178.305 176.300 -0.084 0.000 0.967 361 D CA 1.013 54.958 54.000 -0.091 0.000 0.840 361 D CB -0.129 40.666 40.800 -0.008 0.000 0.972 361 D HN 0.183 nan 8.370 nan 0.000 0.482 362 R N 0.629 121.109 120.500 -0.033 0.000 2.090 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 362 R C 2.006 178.281 176.300 -0.041 0.000 1.110 362 R CA 0.952 57.036 56.100 -0.027 0.000 0.973 362 R CB 0.092 30.390 30.300 -0.003 0.000 0.869 362 R HN 0.183 nan 8.270 nan 0.000 0.440 363 E N 0.322 120.497 120.200 -0.042 0.000 2.072 363 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 363 E C 1.548 178.088 176.600 -0.100 0.000 0.985 363 E CA 1.195 57.568 56.400 -0.045 0.000 0.801 363 E CB 0.196 29.893 29.700 -0.005 0.000 0.750 363 E HN 0.005 nan 8.360 nan 0.000 0.452 364 K N 0.725 121.008 120.400 -0.195 0.000 1.965 364 K HA -0.086 4.234 4.320 -0.000 0.000 0.214 364 K C 2.158 178.675 176.600 -0.138 0.000 1.046 364 K CA 1.354 57.501 56.287 -0.233 0.000 0.944 364 K CB -0.722 31.549 32.500 -0.383 0.000 0.726 364 K HN 0.115 nan 8.250 nan 0.000 0.441 365 L N 0.705 121.856 121.223 -0.120 0.000 2.054 365 L HA -0.358 3.982 4.340 -0.000 0.000 0.220 365 L C 2.613 179.449 176.870 -0.057 0.000 1.081 365 L CA 1.688 56.481 54.840 -0.078 0.000 0.780 365 L CB -0.650 41.372 42.059 -0.061 0.000 0.893 365 L HN 0.338 nan 8.230 nan 0.000 0.438 366 Q N 0.542 120.311 119.800 -0.052 0.000 1.956 366 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 366 Q C 1.959 177.941 176.000 -0.030 0.000 0.998 366 Q CA 2.193 57.975 55.803 -0.034 0.000 0.855 366 Q CB -0.243 28.478 28.738 -0.027 0.000 0.928 366 Q HN 0.452 nan 8.270 nan 0.000 0.418 367 E N -0.284 119.895 120.200 -0.036 0.000 2.086 367 E HA -0.311 4.039 4.350 -0.000 0.000 0.205 367 E C 2.146 178.735 176.600 -0.018 0.000 1.027 367 E CA 1.707 58.093 56.400 -0.024 0.000 0.830 367 E CB -0.280 29.401 29.700 -0.032 0.000 0.751 367 E HN 0.288 nan 8.360 nan 0.000 0.456 368 R N 0.382 120.864 120.500 -0.031 0.000 2.094 368 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 368 R C 2.533 178.826 176.300 -0.011 0.000 1.137 368 R CA 1.732 57.819 56.100 -0.022 0.000 0.943 368 R CB -0.812 29.465 30.300 -0.037 0.000 0.850 368 R HN 0.079 nan 8.270 nan 0.000 0.433 369 V N 1.298 121.202 119.914 -0.017 0.000 2.317 369 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 369 V C 2.482 178.573 176.094 -0.005 0.000 1.065 369 V CA 2.085 64.378 62.300 -0.011 0.000 1.049 369 V CB -0.990 30.825 31.823 -0.014 0.000 0.651 369 V HN 0.497 nan 8.190 nan 0.000 0.450 370 A N -0.188 122.629 122.820 -0.004 0.000 1.834 370 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 370 A C 2.276 179.864 177.584 0.007 0.000 1.203 370 A CA 1.997 54.035 52.037 0.001 0.000 0.621 370 A CB -0.637 18.364 19.000 0.002 0.000 0.841 370 A HN 0.407 nan 8.150 nan 0.000 0.446 371 K N -0.759 119.650 120.400 0.015 0.000 2.049 371 K HA -0.243 4.077 4.320 -0.000 0.000 0.219 371 K C 1.920 178.533 176.600 0.023 0.000 1.056 371 K CA 1.860 58.164 56.287 0.028 0.000 0.946 371 K CB -1.192 31.338 32.500 0.049 0.000 0.723 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 L N 0.306 121.540 121.223 0.019 0.000 1.961 372 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 372 L C 2.311 179.185 176.870 0.007 0.000 1.075 372 L CA 2.352 57.200 54.840 0.015 0.000 0.749 372 L CB -0.992 41.074 42.059 0.011 0.000 0.890 372 L HN 0.226 nan 8.230 nan 0.000 0.433 373 A N -0.907 121.914 122.820 0.003 0.000 1.840 373 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 373 A C 2.341 179.924 177.584 -0.001 0.000 1.198 373 A CA 1.364 53.401 52.037 -0.000 0.000 0.608 373 A CB -1.705 17.293 19.000 -0.002 0.000 0.839 373 A HN 0.584 nan 8.150 nan 0.000 0.443 374 G N -0.399 108.398 108.800 -0.006 0.000 3.437 374 G HA2 0.021 3.981 3.960 -0.000 0.000 0.238 374 G HA3 0.021 3.981 3.960 -0.000 0.000 0.238 374 G C 1.559 176.458 174.900 -0.001 0.000 1.054 374 G CA 1.842 46.940 45.100 -0.004 0.000 0.704 374 G HN 2.133 nan 8.290 nan 0.000 0.713 375 G N -2.703 106.098 108.800 0.002 0.000 2.846 375 G HA2 0.147 4.107 3.960 -0.000 0.000 0.660 375 G HA3 0.147 4.107 3.960 -0.000 0.000 0.660 375 G C -0.616 174.286 174.900 0.002 0.000 1.464 375 G CA -0.295 44.806 45.100 0.002 0.000 0.891 375 G HN 1.259 nan 8.290 nan 0.000 0.552 376 V N 1.163 121.076 119.914 -0.000 0.000 2.444 376 V HA 0.723 4.843 4.120 -0.000 0.000 0.294 376 V C 0.869 176.959 176.094 -0.008 0.000 1.022 376 V CA -0.087 62.211 62.300 -0.004 0.000 0.850 376 V CB 1.241 33.061 31.823 -0.004 0.000 0.992 376 V HN 2.016 nan 8.190 nan 0.000 0.426 377 A N 4.947 127.761 122.820 -0.010 0.000 2.401 377 A HA 0.755 5.075 4.320 -0.000 0.000 0.259 377 A C -0.065 177.510 177.584 -0.016 0.000 1.103 377 A CA -0.195 51.835 52.037 -0.012 0.000 0.789 377 A CB 0.835 19.828 19.000 -0.012 0.000 1.035 377 A HN 1.449 nan 8.150 nan 0.000 0.491 378 V N 0.666 120.571 119.914 -0.015 0.000 2.960 378 V HA 0.873 4.993 4.120 -0.000 0.000 0.315 378 V C -0.473 175.611 176.094 -0.017 0.000 1.087 378 V CA -0.900 61.390 62.300 -0.018 0.000 0.982 378 V CB 1.592 33.404 31.823 -0.017 0.000 1.039 378 V HN 0.729 nan 8.190 nan 0.000 0.437 379 I N 1.507 122.066 120.570 -0.019 0.000 2.730 379 I HA 0.576 4.746 4.170 -0.000 0.000 0.298 379 I C -0.614 175.493 176.117 -0.016 0.000 1.089 379 I CA -0.810 60.480 61.300 -0.017 0.000 1.041 379 I CB 2.708 40.697 38.000 -0.019 0.000 1.235 379 I HN 0.647 nan 8.210 nan 0.000 0.423 380 K N 4.602 124.994 120.400 -0.013 0.000 2.572 380 K HA 0.391 4.711 4.320 -0.000 0.000 0.244 380 K C -1.113 175.480 176.600 -0.011 0.000 0.965 380 K CA -0.622 55.657 56.287 -0.012 0.000 0.943 380 K CB 2.145 34.638 32.500 -0.012 0.000 1.154 380 K HN 0.272 nan 8.250 nan 0.000 0.447 381 V N 2.765 122.673 119.914 -0.011 0.000 2.434 381 V HA 0.003 4.123 4.120 -0.000 0.000 0.281 381 V C 1.024 177.114 176.094 -0.008 0.000 1.005 381 V CA 0.060 62.355 62.300 -0.009 0.000 1.089 381 V CB 0.144 31.962 31.823 -0.008 0.000 0.978 381 V HN 0.825 nan 8.190 nan 0.000 0.474 382 G N 3.793 112.589 108.800 -0.007 0.000 2.444 382 G HA2 0.686 4.646 3.960 -0.000 0.000 0.268 382 G HA3 0.686 4.646 3.960 -0.000 0.000 0.268 382 G C -0.287 174.610 174.900 -0.006 0.000 1.203 382 G CA 0.285 45.381 45.100 -0.006 0.000 0.835 382 G HN 1.300 nan 8.290 nan 0.000 0.543 383 A N -0.036 122.781 122.820 -0.005 0.000 2.599 383 A HA 0.760 5.080 4.320 -0.000 0.000 0.294 383 A C 0.605 178.186 177.584 -0.005 0.000 1.055 383 A CA 0.352 52.386 52.037 -0.005 0.000 0.683 383 A CB 0.582 19.579 19.000 -0.005 0.000 1.278 383 A HN 1.774 nan 8.150 nan 0.000 0.412 384 A N 0.388 123.205 122.820 -0.004 0.000 1.825 384 A HA 0.342 4.662 4.320 -0.000 0.000 0.214 384 A C 1.526 179.108 177.584 -0.004 0.000 1.206 384 A CA 2.328 54.363 52.037 -0.004 0.000 0.609 384 A CB -0.906 18.092 19.000 -0.003 0.000 0.851 384 A HN 1.810 nan 8.150 nan 0.000 0.445 385 T N -1.428 113.123 114.554 -0.004 0.000 2.922 385 T HA 0.264 4.614 4.350 -0.000 0.000 0.285 385 T C 0.867 175.565 174.700 -0.005 0.000 1.005 385 T CA 0.199 62.297 62.100 -0.004 0.000 1.061 385 T CB 1.262 70.128 68.868 -0.004 0.000 1.007 385 T HN 0.469 nan 8.240 nan 0.000 0.502 386 E N 2.264 122.461 120.200 -0.005 0.000 2.204 386 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 386 E C 1.692 178.289 176.600 -0.005 0.000 0.990 386 E CA 0.907 57.304 56.400 -0.005 0.000 0.821 386 E CB 0.048 29.744 29.700 -0.006 0.000 0.750 386 E HN 0.587 nan 8.360 nan 0.000 0.477 387 V N 1.326 121.238 119.914 -0.004 0.000 2.221 387 V HA -0.275 3.845 4.120 -0.000 0.000 0.240 387 V C 2.460 178.552 176.094 -0.003 0.000 1.041 387 V CA 2.244 64.541 62.300 -0.004 0.000 0.991 387 V CB -0.880 30.941 31.823 -0.003 0.000 0.634 387 V HN 0.411 nan 8.190 nan 0.000 0.450 388 E N -0.272 119.926 120.200 -0.003 0.000 2.136 388 E HA -0.337 4.013 4.350 -0.000 0.000 0.202 388 E C 2.190 178.788 176.600 -0.003 0.000 1.019 388 E CA 2.170 58.568 56.400 -0.003 0.000 0.819 388 E CB -0.228 29.470 29.700 -0.003 0.000 0.739 388 E HN 0.415 nan 8.360 nan 0.000 0.458 389 M N 1.309 120.907 119.600 -0.004 0.000 2.605 389 M HA -0.252 4.228 4.480 -0.000 0.000 0.269 389 M C 1.978 178.275 176.300 -0.005 0.000 1.064 389 M CA 2.157 57.454 55.300 -0.005 0.000 1.078 389 M CB -0.725 31.872 32.600 -0.006 0.000 1.234 389 M HN 0.031 nan 8.290 nan 0.000 0.483 390 K N -0.347 120.050 120.400 -0.005 0.000 2.211 390 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 390 K C 1.980 178.579 176.600 -0.002 0.000 1.047 390 K CA 1.349 57.634 56.287 -0.004 0.000 0.935 390 K CB -0.293 32.204 32.500 -0.005 0.000 0.728 390 K HN 0.432 nan 8.250 nan 0.000 0.452 391 E N 2.011 122.210 120.200 -0.002 0.000 2.015 391 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 391 E C 1.922 178.522 176.600 0.000 0.000 0.991 391 E CA 1.471 57.870 56.400 -0.000 0.000 0.802 391 E CB -0.007 29.692 29.700 -0.001 0.000 0.759 391 E HN 0.169 nan 8.360 nan 0.000 0.447 392 K N 0.975 121.374 120.400 -0.001 0.000 2.044 392 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 392 K C 2.371 178.970 176.600 -0.001 0.000 1.049 392 K CA 2.046 58.332 56.287 -0.001 0.000 0.927 392 K CB -0.231 32.268 32.500 -0.002 0.000 0.713 392 K HN -0.022 nan 8.250 nan 0.000 0.443 393 K N 0.124 120.523 120.400 -0.002 0.000 2.089 393 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 393 K C 1.896 178.495 176.600 -0.000 0.000 1.048 393 K CA 1.535 57.820 56.287 -0.004 0.000 0.926 393 K CB -0.258 32.238 32.500 -0.006 0.000 0.714 393 K HN 0.285 nan 8.250 nan 0.000 0.448 394 A N 1.458 124.280 122.820 0.004 0.000 1.835 394 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 394 A C 2.091 179.685 177.584 0.017 0.000 1.199 394 A CA 1.844 53.888 52.037 0.011 0.000 0.615 394 A CB -0.685 18.322 19.000 0.011 0.000 0.838 394 A HN 0.402 nan 8.150 nan 0.000 0.444 395 R N -0.674 119.833 120.500 0.013 0.000 2.154 395 R HA -0.153 4.187 4.340 -0.000 0.000 0.248 395 R C 1.954 178.263 176.300 0.016 0.000 1.155 395 R CA 1.509 57.618 56.100 0.015 0.000 0.979 395 R CB -0.727 29.578 30.300 0.008 0.000 0.869 395 R HN 0.432 nan 8.270 nan 0.000 0.452 396 V N 1.037 120.955 119.914 0.007 0.000 2.237 396 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 396 V C 1.983 178.073 176.094 -0.006 0.000 1.046 396 V CA 2.055 64.354 62.300 -0.001 0.000 1.007 396 V CB -0.488 31.330 31.823 -0.008 0.000 0.638 396 V HN 0.372 nan 8.190 nan 0.000 0.445 397 E N 0.059 120.254 120.200 -0.008 0.000 2.118 397 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 397 E C 1.825 178.435 176.600 0.017 0.000 0.992 397 E CA 1.510 57.890 56.400 -0.033 0.000 0.804 397 E CB -0.265 29.426 29.700 -0.014 0.000 0.741 397 E HN 0.633 nan 8.360 nan 0.000 0.458 398 D N 0.843 121.293 120.400 0.083 0.000 2.173 398 D HA -0.218 4.422 4.640 -0.000 0.000 0.205 398 D C 1.979 178.352 176.300 0.122 0.000 1.002 398 D CA 1.645 55.731 54.000 0.145 0.000 0.881 398 D CB -0.847 39.998 40.800 0.076 0.000 1.062 398 D HN 0.166 nan 8.370 nan 0.000 0.459 399 A N 1.009 123.866 122.820 0.061 0.000 1.923 399 A HA -0.289 4.031 4.320 -0.000 0.000 0.222 399 A C 2.340 179.949 177.584 0.041 0.000 1.258 399 A CA 2.409 54.472 52.037 0.043 0.000 0.670 399 A CB -1.354 17.659 19.000 0.020 0.000 0.834 399 A HN 0.393 nan 8.150 nan 0.000 0.470 400 L N -1.560 119.667 121.223 0.005 0.000 1.991 400 L HA -0.343 3.997 4.340 -0.000 0.000 0.221 400 L C 2.610 179.474 176.870 -0.010 0.000 1.079 400 L CA 2.546 57.366 54.840 -0.034 0.000 0.778 400 L CB -0.590 41.409 42.059 -0.099 0.000 0.893 400 L HN 0.603 nan 8.230 nan 0.000 0.437 401 H N -0.175 118.898 119.070 0.004 0.000 2.371 401 H HA -0.287 4.269 4.556 -0.000 0.000 0.292 401 H C 2.180 177.512 175.328 0.007 0.000 1.066 401 H CA 1.970 58.022 56.048 0.007 0.000 1.153 401 H CB -0.873 28.893 29.762 0.007 0.000 1.375 401 H HN 0.604 nan 8.280 nan 0.000 0.558 402 A N 0.366 123.289 122.820 0.171 0.000 1.944 402 A HA -0.318 4.002 4.320 -0.000 0.000 0.222 402 A C 2.713 180.332 177.584 0.059 0.000 1.237 402 A CA 3.329 55.416 52.037 0.083 0.000 0.668 402 A CB -1.385 17.649 19.000 0.057 0.000 0.830 402 A HN 0.609 nan 8.150 nan 0.000 0.471 403 T N -0.572 114.012 114.554 0.049 0.000 2.622 403 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 403 T C 2.002 176.720 174.700 0.030 0.000 1.047 403 T CA 1.622 63.740 62.100 0.030 0.000 1.159 403 T CB -0.325 68.553 68.868 0.018 0.000 0.863 403 T HN 0.567 nan 8.240 nan 0.000 0.422 404 R N 0.936 121.456 120.500 0.033 0.000 2.112 404 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 404 R C 2.812 179.135 176.300 0.038 0.000 1.137 404 R CA 1.615 57.734 56.100 0.032 0.000 0.944 404 R CB -0.683 29.638 30.300 0.036 0.000 0.857 404 R HN 0.426 nan 8.270 nan 0.000 0.435 405 A N 1.122 123.973 122.820 0.052 0.000 1.858 405 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 405 A C 2.434 180.035 177.584 0.029 0.000 1.190 405 A CA 1.705 53.767 52.037 0.042 0.000 0.617 405 A CB -0.898 18.130 19.000 0.046 0.000 0.827 405 A HN 0.428 nan 8.150 nan 0.000 0.443 406 A N -0.447 122.390 122.820 0.028 0.000 1.915 406 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 406 A C 2.255 179.850 177.584 0.018 0.000 1.198 406 A CA 2.375 54.424 52.037 0.021 0.000 0.647 406 A CB -1.288 17.724 19.000 0.020 0.000 0.825 406 A HN 0.469 nan 8.150 nan 0.000 0.456 407 V N -0.072 119.853 119.914 0.019 0.000 2.220 407 V HA -0.338 3.782 4.120 -0.000 0.000 0.242 407 V C 2.310 178.414 176.094 0.017 0.000 1.041 407 V CA 2.394 64.704 62.300 0.017 0.000 0.990 407 V CB -1.253 30.580 31.823 0.017 0.000 0.634 407 V HN 0.718 nan 8.190 nan 0.000 0.452 408 E N 0.140 120.352 120.200 0.019 0.000 2.196 408 E HA -0.315 4.035 4.350 -0.000 0.000 0.222 408 E C 1.580 178.188 176.600 0.014 0.000 1.072 408 E CA 2.225 58.636 56.400 0.018 0.000 0.902 408 E CB -0.214 29.499 29.700 0.022 0.000 0.780 408 E HN 0.742 nan 8.360 nan 0.000 0.467 409 E N -0.700 119.508 120.200 0.012 0.000 2.810 409 E HA 0.283 4.633 4.350 -0.000 0.000 0.214 409 E C 0.364 176.969 176.600 0.008 0.000 0.980 409 E CA 0.130 56.535 56.400 0.008 0.000 1.159 409 E CB 1.455 31.157 29.700 0.003 0.000 1.047 409 E HN 0.291 nan 8.360 nan 0.000 0.484 410 G N 1.314 110.121 108.800 0.011 0.000 2.632 410 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 410 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 410 G C -0.226 174.680 174.900 0.011 0.000 1.341 410 G CA -0.356 44.751 45.100 0.011 0.000 0.880 410 G HN 0.601 nan 8.290 nan 0.000 0.566 411 V N -2.934 116.986 119.914 0.011 0.000 3.206 411 V HA 1.023 5.143 4.120 -0.000 0.000 0.305 411 V C 0.373 176.473 176.094 0.011 0.000 1.257 411 V CA 0.656 62.962 62.300 0.010 0.000 1.057 411 V CB 1.357 33.186 31.823 0.011 0.000 1.075 411 V HN 2.656 nan 8.190 nan 0.000 0.443 412 V N -1.988 117.931 119.914 0.010 0.000 3.181 412 V HA 1.012 5.132 4.120 -0.000 0.000 0.307 412 V C 0.339 176.439 176.094 0.009 0.000 1.310 412 V CA -0.751 61.556 62.300 0.012 0.000 1.067 412 V CB 1.050 32.880 31.823 0.010 0.000 1.081 412 V HN 2.543 nan 8.190 nan 0.000 0.453 413 A N 0.113 122.940 122.820 0.012 0.000 2.548 413 A HA 0.544 4.864 4.320 -0.000 0.000 0.247 413 A C 1.185 178.768 177.584 -0.003 0.000 1.067 413 A CA 0.554 52.595 52.037 0.006 0.000 0.757 413 A CB -0.180 18.826 19.000 0.011 0.000 0.996 413 A HN 2.170 nan 8.150 nan 0.000 0.504 414 G N 1.577 110.369 108.800 -0.013 0.000 3.277 414 G HA2 0.334 4.294 3.960 -0.000 0.000 0.243 414 G HA3 0.334 4.294 3.960 -0.000 0.000 0.243 414 G C 0.775 175.659 174.900 -0.027 0.000 1.107 414 G CA 0.670 45.760 45.100 -0.017 0.000 0.771 414 G HN 1.136 nan 8.290 nan 0.000 0.544 415 G N -0.162 108.616 108.800 -0.037 0.000 3.440 415 G HA2 0.411 4.371 3.960 -0.000 0.000 0.263 415 G HA3 0.411 4.371 3.960 -0.000 0.000 0.263 415 G C 1.180 176.066 174.900 -0.023 0.000 1.236 415 G CA 0.227 45.299 45.100 -0.047 0.000 0.927 415 G HN 1.170 nan 8.290 nan 0.000 0.530 416 G N -1.062 107.730 108.800 -0.013 0.000 2.176 416 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.253 416 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.253 416 G C 1.255 176.157 174.900 0.002 0.000 0.979 416 G CA 0.485 45.583 45.100 -0.002 0.000 0.641 416 G HN 0.562 nan 8.290 nan 0.000 0.530 417 V N 1.064 120.976 119.914 -0.003 0.000 2.220 417 V HA -0.021 4.099 4.120 -0.000 0.000 0.246 417 V C 3.328 179.427 176.094 0.009 0.000 1.049 417 V CA 3.090 65.390 62.300 0.000 0.000 1.003 417 V CB -1.641 30.176 31.823 -0.009 0.000 0.634 417 V HN 1.273 nan 8.190 nan 0.000 0.444 418 A N 0.349 123.174 122.820 0.009 0.000 1.944 418 A HA -0.268 4.052 4.320 -0.000 0.000 0.222 418 A C 2.224 179.816 177.584 0.013 0.000 1.237 418 A CA 2.561 54.605 52.037 0.012 0.000 0.668 418 A CB -0.798 18.207 19.000 0.008 0.000 0.830 418 A HN 0.435 nan 8.150 nan 0.000 0.471 419 L N -0.777 120.452 121.223 0.010 0.000 1.994 419 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 419 L C 2.651 179.529 176.870 0.014 0.000 1.071 419 L CA 1.509 56.356 54.840 0.011 0.000 0.745 419 L CB -1.341 40.724 42.059 0.010 0.000 0.892 419 L HN 0.339 nan 8.230 nan 0.000 0.431 420 I N -0.103 120.477 120.570 0.016 0.000 2.113 420 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 420 I C 2.733 178.864 176.117 0.023 0.000 1.064 420 I CA 1.281 62.593 61.300 0.020 0.000 1.320 420 I CB -1.010 37.003 38.000 0.022 0.000 1.028 420 I HN 0.290 nan 8.210 nan 0.000 0.406 421 R N 1.347 121.863 120.500 0.027 0.000 2.171 421 R HA -0.218 4.122 4.340 -0.000 0.000 0.226 421 R C 2.382 178.698 176.300 0.026 0.000 1.113 421 R CA 3.057 59.176 56.100 0.033 0.000 0.887 421 R CB -1.114 29.207 30.300 0.034 0.000 0.830 421 R HN 0.325 nan 8.270 nan 0.000 0.432 422 V N -1.210 118.716 119.914 0.021 0.000 2.363 422 V HA -0.284 3.836 4.120 -0.000 0.000 0.254 422 V C 2.141 178.244 176.094 0.015 0.000 1.074 422 V CA 2.248 64.558 62.300 0.016 0.000 1.069 422 V CB -1.617 30.213 31.823 0.012 0.000 0.659 422 V HN 0.516 nan 8.190 nan 0.000 0.455 423 A N 1.704 124.533 122.820 0.015 0.000 1.845 423 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 423 A C 2.657 180.250 177.584 0.015 0.000 1.195 423 A CA 3.012 55.057 52.037 0.014 0.000 0.616 423 A CB -1.315 17.693 19.000 0.014 0.000 0.832 423 A HN 1.087 nan 8.150 nan 0.000 0.443 424 S N -0.029 115.682 115.700 0.019 0.000 2.402 424 S HA -0.236 4.234 4.470 -0.000 0.000 0.233 424 S C 1.862 176.473 174.600 0.018 0.000 1.030 424 S CA 1.471 59.682 58.200 0.020 0.000 1.003 424 S CB -0.369 62.846 63.200 0.026 0.000 0.813 424 S HN 0.440 nan 8.310 nan 0.000 0.477 425 K N 2.374 122.785 120.400 0.018 0.000 1.981 425 K HA -0.043 4.277 4.320 -0.000 0.000 0.227 425 K C 1.577 178.184 176.600 0.012 0.000 1.030 425 K CA 1.373 57.670 56.287 0.016 0.000 1.042 425 K CB -1.404 31.105 32.500 0.016 0.000 0.749 425 K HN 0.691 nan 8.250 nan 0.000 0.445 426 L N 0.163 121.393 121.223 0.010 0.000 2.679 426 L HA 0.205 4.545 4.340 -0.000 0.000 0.241 426 L C 1.031 177.906 176.870 0.008 0.000 1.441 426 L CA -0.100 54.745 54.840 0.008 0.000 1.181 426 L CB -0.569 41.494 42.059 0.007 0.000 1.451 426 L HN 0.063 nan 8.230 nan 0.000 0.446 427 A N -0.418 122.407 122.820 0.009 0.000 2.275 427 A HA 0.058 4.378 4.320 -0.000 0.000 0.212 427 A C 1.617 179.205 177.584 0.007 0.000 1.201 427 A CA 0.231 52.273 52.037 0.008 0.000 0.843 427 A CB -0.030 18.975 19.000 0.009 0.000 0.873 427 A HN 0.621 nan 8.150 nan 0.000 0.492 428 D N -0.803 119.601 120.400 0.006 0.000 2.369 428 D HA 0.039 4.679 4.640 -0.000 0.000 0.231 428 D C 0.592 176.894 176.300 0.004 0.000 0.967 428 D CA -0.042 53.961 54.000 0.005 0.000 0.905 428 D CB -0.297 40.506 40.800 0.005 0.000 1.044 428 D HN 0.275 nan 8.370 nan 0.000 0.487 429 L N 2.881 124.107 121.223 0.005 0.000 4.017 429 L HA -0.228 4.112 4.340 -0.000 0.000 0.482 429 L C 0.037 176.909 176.870 0.004 0.000 1.045 429 L CA 0.808 55.651 54.840 0.004 0.000 0.650 429 L CB -0.068 41.994 42.059 0.004 0.000 0.973 429 L HN -0.052 nan 8.230 nan 0.000 0.913 430 R N 3.734 124.236 120.500 0.003 0.000 2.923 430 R HA 0.869 5.209 4.340 -0.000 0.000 0.252 430 R C 0.053 176.354 176.300 0.003 0.000 1.130 430 R CA -0.311 55.791 56.100 0.003 0.000 1.043 430 R CB 1.441 31.742 30.300 0.003 0.000 1.205 430 R HN 0.788 nan 8.270 nan 0.000 0.495 431 G N -0.085 108.716 108.800 0.003 0.000 2.605 431 G HA2 0.378 4.338 3.960 -0.000 0.000 0.296 431 G HA3 0.378 4.338 3.960 -0.000 0.000 0.296 431 G C -0.209 174.692 174.900 0.002 0.000 1.304 431 G CA -0.390 44.711 45.100 0.002 0.000 0.941 431 G HN 0.262 nan 8.290 nan 0.000 0.475 432 Q N 0.309 120.110 119.800 0.002 0.000 1.809 432 Q HA -0.066 4.274 4.340 -0.000 0.000 0.269 432 Q C 1.427 177.428 176.000 0.002 0.000 0.984 432 Q CA 0.969 56.773 55.803 0.002 0.000 0.885 432 Q CB -0.536 28.203 28.738 0.002 0.000 0.933 432 Q HN 0.696 nan 8.270 nan 0.000 0.422 433 N N 0.970 119.671 118.700 0.002 0.000 2.412 433 N HA -0.123 4.617 4.740 -0.000 0.000 0.254 433 N C 0.734 176.246 175.510 0.002 0.000 1.232 433 N CA -0.002 53.049 53.050 0.002 0.000 0.880 433 N CB 0.453 38.942 38.487 0.003 0.000 1.076 433 N HN 0.346 nan 8.380 nan 0.000 0.458 434 E N 2.415 122.616 120.200 0.002 0.000 2.160 434 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 434 E C 0.293 176.894 176.600 0.002 0.000 0.991 434 E CA 1.247 57.648 56.400 0.002 0.000 0.810 434 E CB 0.120 29.821 29.700 0.002 0.000 0.742 434 E HN 0.632 nan 8.360 nan 0.000 0.466 435 D N 0.239 120.640 120.400 0.003 0.000 2.384 435 D HA -0.134 4.506 4.640 -0.000 0.000 0.222 435 D C 1.493 177.795 176.300 0.003 0.000 0.976 435 D CA 0.801 54.803 54.000 0.003 0.000 0.915 435 D CB 0.097 40.899 40.800 0.003 0.000 0.896 435 D HN 0.477 nan 8.370 nan 0.000 0.523 436 Q N -0.378 119.424 119.800 0.003 0.000 2.324 436 Q HA 0.041 4.381 4.340 -0.000 0.000 0.207 436 Q C 1.726 177.728 176.000 0.003 0.000 0.928 436 Q CA 0.047 55.852 55.803 0.003 0.000 0.890 436 Q CB 0.211 28.951 28.738 0.003 0.000 1.001 436 Q HN 0.166 nan 8.270 nan 0.000 0.517 437 N N 0.986 119.688 118.700 0.003 0.000 2.025 437 N HA -0.148 4.592 4.740 -0.000 0.000 0.194 437 N C 2.059 177.572 175.510 0.004 0.000 1.044 437 N CA 1.524 54.576 53.050 0.003 0.000 0.851 437 N CB -0.519 37.970 38.487 0.003 0.000 1.036 437 N HN 0.031 nan 8.380 nan 0.000 0.422 438 V N 1.392 121.308 119.914 0.003 0.000 2.282 438 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 438 V C 2.594 178.690 176.094 0.004 0.000 1.057 438 V CA 2.154 64.457 62.300 0.004 0.000 1.032 438 V CB -1.564 30.261 31.823 0.003 0.000 0.645 438 V HN 0.378 nan 8.190 nan 0.000 0.447 439 G N 0.321 109.124 108.800 0.004 0.000 2.529 439 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 439 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 439 G C 1.528 176.431 174.900 0.005 0.000 1.177 439 G CA 1.533 46.636 45.100 0.005 0.000 0.773 439 G HN 0.539 nan 8.290 nan 0.000 0.573 440 I N 0.229 120.802 120.570 0.005 0.000 2.179 440 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 440 I C 2.787 178.907 176.117 0.005 0.000 1.088 440 I CA 1.342 62.645 61.300 0.005 0.000 1.357 440 I CB -0.265 37.737 38.000 0.004 0.000 1.051 440 I HN 0.029 nan 8.210 nan 0.000 0.409 441 K N 1.042 121.445 120.400 0.005 0.000 1.977 441 K HA -0.164 4.156 4.320 -0.000 0.000 0.218 441 K C 1.978 178.582 176.600 0.006 0.000 1.051 441 K CA 1.606 57.896 56.287 0.006 0.000 0.953 441 K CB -0.998 31.505 32.500 0.005 0.000 0.727 441 K HN 0.037 nan 8.250 nan 0.000 0.445 442 V N 1.142 121.060 119.914 0.006 0.000 2.233 442 V HA -0.414 3.706 4.120 -0.000 0.000 0.256 442 V C 2.215 178.314 176.094 0.007 0.000 1.069 442 V CA 2.419 64.723 62.300 0.006 0.000 1.054 442 V CB -1.156 30.671 31.823 0.006 0.000 0.664 442 V HN 0.539 nan 8.190 nan 0.000 0.453 443 A N -0.488 122.337 122.820 0.008 0.000 1.859 443 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 443 A C 2.190 179.779 177.584 0.008 0.000 1.209 443 A CA 2.645 54.687 52.037 0.008 0.000 0.639 443 A CB -0.760 18.245 19.000 0.007 0.000 0.835 443 A HN 0.522 nan 8.150 nan 0.000 0.450 444 L N -1.344 119.883 121.223 0.008 0.000 1.970 444 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 444 L C 2.833 179.709 176.870 0.009 0.000 1.071 444 L CA 2.013 56.858 54.840 0.008 0.000 0.751 444 L CB -0.574 41.490 42.059 0.008 0.000 0.889 444 L HN 0.515 nan 8.230 nan 0.000 0.432 445 R N 0.366 120.871 120.500 0.008 0.000 2.211 445 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 445 R C 2.076 178.381 176.300 0.009 0.000 1.144 445 R CA 1.330 57.435 56.100 0.008 0.000 0.992 445 R CB -0.171 30.134 30.300 0.007 0.000 0.869 445 R HN 0.409 nan 8.270 nan 0.000 0.462 446 A N 0.464 123.289 122.820 0.009 0.000 2.014 446 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 446 A C 1.976 179.567 177.584 0.011 0.000 1.163 446 A CA 0.955 52.998 52.037 0.010 0.000 0.652 446 A CB -0.212 18.795 19.000 0.011 0.000 0.808 446 A HN 0.370 nan 8.150 nan 0.000 0.449 447 M N -0.592 119.014 119.600 0.011 0.000 2.557 447 M HA -0.032 4.448 4.480 -0.000 0.000 0.259 447 M C 1.338 177.645 176.300 0.011 0.000 1.086 447 M CA 0.850 56.156 55.300 0.011 0.000 1.096 447 M CB -0.247 32.359 32.600 0.010 0.000 1.424 447 M HN 0.401 nan 8.290 nan 0.000 0.488 448 E N 0.891 121.098 120.200 0.012 0.000 2.371 448 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 448 E C 2.160 178.767 176.600 0.012 0.000 1.012 448 E CA 0.493 56.901 56.400 0.012 0.000 0.860 448 E CB 0.025 29.732 29.700 0.012 0.000 0.811 448 E HN 0.511 nan 8.360 nan 0.000 0.502 449 A N 2.481 125.308 122.820 0.011 0.000 1.859 449 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 449 A C -0.296 177.294 177.584 0.010 0.000 1.209 449 A CA 1.702 53.745 52.037 0.010 0.000 0.639 449 A CB -1.690 17.316 19.000 0.010 0.000 0.835 449 A HN 0.140 nan 8.150 nan 0.000 0.450 450 P HA -0.186 nan 4.420 nan 0.000 0.214 450 P C 1.784 179.090 177.300 0.009 0.000 1.169 450 P CA 1.370 64.475 63.100 0.008 0.000 0.908 450 P CB -0.136 31.568 31.700 0.007 0.000 0.791 451 L N -0.275 120.955 121.223 0.013 0.000 1.970 451 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 451 L C 2.375 179.260 176.870 0.026 0.000 1.071 451 L CA 1.965 56.818 54.840 0.021 0.000 0.751 451 L CB -1.068 41.006 42.059 0.026 0.000 0.889 451 L HN -0.221 nan 8.230 nan 0.000 0.432 452 R N -0.984 119.528 120.500 0.020 0.000 2.119 452 R HA -0.268 4.072 4.340 -0.000 0.000 0.246 452 R C 2.356 178.666 176.300 0.017 0.000 1.146 452 R CA 1.840 57.950 56.100 0.017 0.000 0.962 452 R CB -0.495 29.812 30.300 0.012 0.000 0.863 452 R HN 0.483 nan 8.270 nan 0.000 0.442 453 Q N 0.747 120.555 119.800 0.014 0.000 2.084 453 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 453 Q C 1.857 177.865 176.000 0.013 0.000 0.978 453 Q CA 1.544 57.353 55.803 0.011 0.000 0.844 453 Q CB -0.062 28.680 28.738 0.007 0.000 0.898 453 Q HN 0.211 nan 8.270 nan 0.000 0.426 454 I N -0.237 120.341 120.570 0.014 0.000 2.076 454 I HA -0.260 3.910 4.170 -0.000 0.000 0.237 454 I C 2.283 178.417 176.117 0.030 0.000 1.059 454 I CA 1.063 62.370 61.300 0.012 0.000 1.317 454 I CB -1.629 36.373 38.000 0.004 0.000 1.037 454 I HN 0.095 nan 8.210 nan 0.000 0.398 455 V N 1.156 121.104 119.914 0.057 0.000 2.252 455 V HA -0.328 3.792 4.120 -0.000 0.000 0.255 455 V C 2.659 178.779 176.094 0.044 0.000 1.071 455 V CA 2.218 64.566 62.300 0.080 0.000 1.050 455 V CB -0.923 30.934 31.823 0.056 0.000 0.654 455 V HN 0.363 nan 8.190 nan 0.000 0.448 456 L N 0.917 122.156 121.223 0.026 0.000 1.990 456 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 456 L C 2.205 179.084 176.870 0.015 0.000 1.072 456 L CA 2.223 57.074 54.840 0.017 0.000 0.755 456 L CB -1.117 40.949 42.059 0.012 0.000 0.889 456 L HN 0.366 nan 8.230 nan 0.000 0.432 457 N N -1.057 117.651 118.700 0.013 0.000 2.348 457 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 457 N C 1.584 177.099 175.510 0.008 0.000 1.019 457 N CA 1.544 54.599 53.050 0.008 0.000 0.880 457 N CB -0.670 37.819 38.487 0.002 0.000 0.965 457 N HN 0.452 nan 8.380 nan 0.000 0.437 458 C N -0.642 118.668 119.300 0.016 0.000 2.697 458 C HA 0.347 4.807 4.460 -0.000 0.000 0.267 458 C C 1.650 176.655 174.990 0.024 0.000 1.278 458 C CA 0.034 59.063 59.018 0.018 0.000 1.708 458 C CB -0.953 26.805 27.740 0.029 0.000 1.860 458 C HN 0.588 nan 8.230 nan 0.000 0.589 459 G N 1.234 110.047 108.800 0.021 0.000 2.143 459 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.248 459 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.248 459 G C -0.184 174.730 174.900 0.022 0.000 0.991 459 G CA 0.206 45.317 45.100 0.018 0.000 0.689 459 G HN 0.521 nan 8.290 nan 0.000 0.522 460 E N 0.191 120.409 120.200 0.030 0.000 2.254 460 E HA 0.403 4.753 4.350 -0.000 0.000 0.261 460 E C 0.157 176.760 176.600 0.005 0.000 1.051 460 E CA -0.809 55.606 56.400 0.024 0.000 0.902 460 E CB 0.572 30.301 29.700 0.049 0.000 1.168 460 E HN 0.223 nan 8.360 nan 0.000 0.423 461 E N 2.088 122.281 120.200 -0.013 0.000 2.220 461 E HA 0.070 4.420 4.350 -0.000 0.000 0.272 461 E C -1.743 174.841 176.600 -0.027 0.000 1.099 461 E CA -1.515 54.874 56.400 -0.018 0.000 0.907 461 E CB 0.700 30.387 29.700 -0.023 0.000 1.022 461 E HN 0.186 nan 8.360 nan 0.000 0.428 462 P HA -0.172 nan 4.420 nan 0.000 0.210 462 P C 1.540 178.832 177.300 -0.014 0.000 1.191 462 P CA 1.591 64.686 63.100 -0.009 0.000 0.917 462 P CB 0.043 31.744 31.700 0.001 0.000 0.778 463 S N -0.497 115.199 115.700 -0.008 0.000 2.393 463 S HA -0.233 4.237 4.470 -0.000 0.000 0.234 463 S C 2.005 176.598 174.600 -0.011 0.000 1.064 463 S CA 2.277 60.473 58.200 -0.006 0.000 1.088 463 S CB -2.037 61.160 63.200 -0.005 0.000 0.939 463 S HN -0.064 nan 8.310 nan 0.000 0.448 464 V N 1.670 121.573 119.914 -0.019 0.000 2.229 464 V HA -0.138 3.982 4.120 -0.000 0.000 0.243 464 V C 2.706 178.783 176.094 -0.028 0.000 1.042 464 V CA 1.739 64.025 62.300 -0.024 0.000 1.000 464 V CB -0.978 30.828 31.823 -0.029 0.000 0.637 464 V HN 0.480 nan 8.190 nan 0.000 0.446 465 V N 0.363 120.237 119.914 -0.067 0.000 2.231 465 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 465 V C 2.757 178.851 176.094 -0.000 0.000 1.054 465 V CA 2.359 64.601 62.300 -0.097 0.000 1.015 465 V CB -1.391 30.256 31.823 -0.294 0.000 0.638 465 V HN 0.587 nan 8.190 nan 0.000 0.444 466 A N 0.650 123.466 122.820 -0.006 0.000 1.882 466 A HA -0.437 3.883 4.320 -0.000 0.000 0.220 466 A C 2.032 179.630 177.584 0.023 0.000 1.253 466 A CA 3.058 55.105 52.037 0.015 0.000 0.664 466 A CB -1.248 17.758 19.000 0.009 0.000 0.838 466 A HN 0.730 nan 8.150 nan 0.000 0.460 467 N N -0.365 118.342 118.700 0.012 0.000 2.027 467 N HA -0.242 4.498 4.740 -0.000 0.000 0.200 467 N C 1.829 177.350 175.510 0.017 0.000 1.042 467 N CA 4.045 57.101 53.050 0.011 0.000 0.871 467 N CB -0.885 37.601 38.487 -0.001 0.000 1.063 467 N HN 0.593 nan 8.380 nan 0.000 0.438 468 T N -2.184 112.374 114.554 0.007 0.000 2.849 468 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 468 T C 1.939 176.667 174.700 0.048 0.000 1.066 468 T CA 1.708 63.799 62.100 -0.015 0.000 1.130 468 T CB -0.870 67.910 68.868 -0.147 0.000 0.864 468 T HN 0.071 nan 8.240 nan 0.000 0.481 469 V N 1.588 121.547 119.914 0.075 0.000 2.453 469 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 469 V C 2.878 179.019 176.094 0.078 0.000 1.048 469 V CA 1.374 63.708 62.300 0.056 0.000 1.049 469 V CB -0.503 31.347 31.823 0.045 0.000 0.672 469 V HN 0.415 nan 8.190 nan 0.000 0.457 470 K N 0.975 121.412 120.400 0.062 0.000 2.063 470 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 470 K C 2.283 178.929 176.600 0.077 0.000 1.048 470 K CA 1.620 57.942 56.287 0.058 0.000 0.928 470 K CB -1.161 31.361 32.500 0.037 0.000 0.713 470 K HN 0.520 nan 8.250 nan 0.000 0.442 471 G N 1.542 110.389 108.800 0.079 0.000 2.631 471 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 471 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 471 G C 1.097 176.063 174.900 0.110 0.000 1.214 471 G CA 1.417 46.563 45.100 0.077 0.000 0.785 471 G HN 0.478 nan 8.290 nan 0.000 0.596 472 G N -0.718 108.224 108.800 0.237 0.000 2.518 472 G HA2 0.407 4.367 3.960 -0.000 0.000 0.284 472 G HA3 0.407 4.367 3.960 -0.000 0.000 0.284 472 G C -0.363 174.660 174.900 0.206 0.000 1.362 472 G CA 0.327 45.591 45.100 0.273 0.000 1.065 472 G HN 0.395 nan 8.290 nan 0.000 0.561 473 D N -2.409 118.106 120.400 0.191 0.000 2.664 473 D HA 0.497 5.137 4.640 -0.000 0.000 0.292 473 D C 0.767 177.154 176.300 0.145 0.000 1.214 473 D CA 0.530 54.607 54.000 0.127 0.000 0.932 473 D CB 1.200 42.036 40.800 0.062 0.000 1.420 473 D HN 0.966 nan 8.370 nan 0.000 0.471 474 G N 0.962 109.820 108.800 0.096 0.000 2.582 474 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.288 474 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.288 474 G C 0.235 175.199 174.900 0.107 0.000 1.247 474 G CA 0.036 45.188 45.100 0.086 0.000 0.972 474 G HN 0.552 nan 8.290 nan 0.000 0.557 475 N N 0.586 119.349 118.700 0.105 0.000 2.410 475 N HA 0.115 4.855 4.740 -0.000 0.000 0.231 475 N C -0.072 175.530 175.510 0.153 0.000 1.172 475 N CA 0.225 53.334 53.050 0.097 0.000 0.849 475 N CB 0.041 38.569 38.487 0.068 0.000 1.116 475 N HN 0.471 nan 8.380 nan 0.000 0.485 476 Y N 1.087 121.419 120.300 0.053 0.000 2.393 476 Y HA 0.492 5.042 4.550 -0.000 0.000 0.338 476 Y C 0.574 176.541 175.900 0.111 0.000 1.029 476 Y CA -0.613 57.534 58.100 0.077 0.000 1.239 476 Y CB 0.273 38.774 38.460 0.068 0.000 1.170 476 Y HN 0.079 nan 8.280 nan 0.000 0.515 477 G N 4.302 112.872 108.800 -0.384 0.000 2.870 477 G HA2 0.309 4.269 3.960 -0.000 0.000 0.299 477 G HA3 0.309 4.269 3.960 -0.000 0.000 0.299 477 G C -2.421 172.340 174.900 -0.232 0.000 1.324 477 G CA -0.850 44.050 45.100 -0.333 0.000 0.808 477 G HN 0.525 nan 8.290 nan 0.000 0.535 478 Y N 1.349 121.466 120.300 -0.305 0.000 2.341 478 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 478 Y C -0.426 175.280 175.900 -0.323 0.000 0.965 478 Y CA -1.703 56.087 58.100 -0.516 0.000 1.108 478 Y CB 1.739 39.728 38.460 -0.785 0.000 1.180 478 Y HN 0.410 nan 8.280 nan 0.000 0.458 479 N N 4.952 123.188 118.700 -0.774 0.000 2.469 479 N HA 0.214 4.954 4.740 -0.000 0.000 0.239 479 N C 0.504 175.411 175.510 -1.005 0.000 1.053 479 N CA 0.637 53.304 53.050 -0.638 0.000 0.937 479 N CB 1.465 39.748 38.487 -0.340 0.000 1.163 479 N HN 0.956 nan 8.380 nan 0.000 0.509 480 A N 4.076 126.363 122.820 -0.888 0.000 1.940 480 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 480 A C 2.106 179.475 177.584 -0.359 0.000 1.176 480 A CA 1.864 53.501 52.037 -0.667 0.000 0.631 480 A CB -0.662 18.168 19.000 -0.283 0.000 0.814 480 A HN 0.724 nan 8.150 nan 0.000 0.446 481 A N -0.669 121.987 122.820 -0.272 0.000 1.978 481 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 481 A C 2.269 179.768 177.584 -0.143 0.000 1.170 481 A CA 2.559 54.499 52.037 -0.162 0.000 0.636 481 A CB -0.866 18.057 19.000 -0.127 0.000 0.810 481 A HN 0.891 nan 8.150 nan 0.000 0.448 482 T N -4.983 109.457 114.554 -0.189 0.000 2.975 482 T HA 0.291 4.641 4.350 -0.000 0.000 0.257 482 T C 0.283 174.918 174.700 -0.109 0.000 1.003 482 T CA 0.688 62.716 62.100 -0.120 0.000 0.932 482 T CB -0.101 68.712 68.868 -0.092 0.000 1.087 482 T HN 0.555 nan 8.240 nan 0.000 0.512 483 E N 0.828 120.890 120.200 -0.231 0.000 2.694 483 E HA -0.150 4.200 4.350 -0.000 0.000 0.272 483 E C -0.789 175.876 176.600 0.109 0.000 1.040 483 E CA 0.541 56.922 56.400 -0.032 0.000 0.809 483 E CB -1.716 28.050 29.700 0.111 0.000 1.389 483 E HN 0.750 nan 8.360 nan 0.000 0.413 484 E N -0.160 119.999 120.200 -0.070 0.000 2.234 484 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 484 E C -0.716 175.937 176.600 0.089 0.000 0.877 484 E CA -0.684 55.779 56.400 0.104 0.000 0.758 484 E CB 1.121 30.864 29.700 0.072 0.000 1.170 484 E HN 0.030 nan 8.360 nan 0.000 0.415 485 Y N 0.871 121.304 120.300 0.221 0.000 2.340 485 Y HA 0.664 5.214 4.550 -0.000 0.000 0.327 485 Y C 1.277 177.308 175.900 0.219 0.000 1.321 485 Y CA 0.392 58.597 58.100 0.174 0.000 1.433 485 Y CB 1.120 39.690 38.460 0.182 0.000 1.373 485 Y HN 0.723 nan 8.280 nan 0.000 0.538 486 G N 0.027 109.098 108.800 0.452 0.000 2.334 486 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.249 486 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.249 486 G C -1.566 173.553 174.900 0.365 0.000 1.327 486 G CA -1.013 44.363 45.100 0.460 0.000 0.979 486 G HN 0.560 nan 8.290 nan 0.000 0.471 487 N N 1.673 120.502 118.700 0.216 0.000 2.602 487 N HA 0.186 4.926 4.740 -0.000 0.000 0.238 487 N C 1.959 177.517 175.510 0.081 0.000 1.084 487 N CA -0.505 52.636 53.050 0.152 0.000 0.952 487 N CB 0.466 39.018 38.487 0.108 0.000 1.244 487 N HN 0.408 nan 8.380 nan 0.000 0.512 488 M N 2.689 122.321 119.600 0.054 0.000 2.128 488 M HA -0.266 4.214 4.480 -0.000 0.000 0.253 488 M C 1.708 178.014 176.300 0.009 0.000 1.079 488 M CA 1.563 56.866 55.300 0.006 0.000 1.082 488 M CB -0.730 31.862 32.600 -0.013 0.000 1.335 488 M HN 0.546 nan 8.290 nan 0.000 0.401 489 I N -0.096 120.488 120.570 0.024 0.000 2.202 489 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 489 I C 1.958 178.087 176.117 0.019 0.000 1.091 489 I CA 1.268 62.579 61.300 0.019 0.000 1.368 489 I CB -0.572 37.443 38.000 0.025 0.000 1.058 489 I HN 0.226 nan 8.210 nan 0.000 0.410 490 D N 0.789 121.207 120.400 0.030 0.000 2.144 490 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 490 D C 2.111 178.423 176.300 0.020 0.000 0.984 490 D CA 1.378 55.395 54.000 0.028 0.000 0.834 490 D CB -0.203 40.620 40.800 0.039 0.000 0.955 490 D HN 0.326 nan 8.370 nan 0.000 0.465 491 M N -0.637 118.975 119.600 0.019 0.000 2.686 491 M HA 0.119 4.599 4.480 -0.000 0.000 0.246 491 M C 1.038 177.333 176.300 -0.009 0.000 1.096 491 M CA 0.693 55.995 55.300 0.004 0.000 1.076 491 M CB 0.186 32.783 32.600 -0.004 0.000 1.504 491 M HN 0.072 nan 8.290 nan 0.000 0.524 492 G N 1.675 110.472 108.800 -0.004 0.000 2.160 492 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 492 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 492 G C -0.206 174.684 174.900 -0.017 0.000 1.022 492 G CA -0.369 44.726 45.100 -0.008 0.000 0.741 492 G HN 0.402 nan 8.290 nan 0.000 0.508 493 I N 1.267 121.825 120.570 -0.021 0.000 2.428 493 I HA 0.592 4.762 4.170 -0.000 0.000 0.279 493 I C 0.523 176.628 176.117 -0.020 0.000 1.040 493 I CA -0.892 60.389 61.300 -0.031 0.000 1.171 493 I CB 0.284 38.251 38.000 -0.055 0.000 1.312 493 I HN 0.398 nan 8.210 nan 0.000 0.470 494 L N 2.927 124.142 121.223 -0.013 0.000 2.502 494 L HA 0.861 5.201 4.340 -0.000 0.000 0.253 494 L C -1.532 175.336 176.870 -0.004 0.000 1.070 494 L CA -0.812 54.024 54.840 -0.006 0.000 0.871 494 L CB 2.812 44.872 42.059 0.002 0.000 1.487 494 L HN 0.031 nan 8.230 nan 0.000 0.408 495 D N -0.151 120.249 120.400 -0.000 0.000 2.896 495 D HA 0.421 5.061 4.640 -0.000 0.000 0.241 495 D C -2.790 173.513 176.300 0.005 0.000 1.188 495 D CA -1.183 52.818 54.000 0.001 0.000 0.879 495 D CB 2.522 43.321 40.800 -0.001 0.000 1.553 495 D HN 0.319 nan 8.370 nan 0.000 0.515 496 P HA 0.006 nan 4.420 nan 0.000 0.260 496 P C 0.927 178.231 177.300 0.007 0.000 1.185 496 P CA 0.285 63.391 63.100 0.011 0.000 0.763 496 P CB 0.573 32.284 31.700 0.017 0.000 0.776 497 T N 3.219 117.776 114.554 0.006 0.000 2.653 497 T HA -0.303 4.047 4.350 -0.000 0.000 0.267 497 T C 1.632 176.331 174.700 -0.002 0.000 1.037 497 T CA 1.754 63.855 62.100 0.002 0.000 1.159 497 T CB -0.424 68.446 68.868 0.003 0.000 0.859 497 T HN 0.508 nan 8.240 nan 0.000 0.449 498 K N 0.682 121.081 120.400 -0.000 0.000 2.015 498 K HA -0.220 4.100 4.320 -0.000 0.000 0.220 498 K C 2.451 179.044 176.600 -0.011 0.000 1.055 498 K CA 2.402 58.685 56.287 -0.006 0.000 0.951 498 K CB -0.663 31.839 32.500 0.004 0.000 0.725 498 K HN 0.371 nan 8.250 nan 0.000 0.449 499 V N -0.545 119.368 119.914 -0.001 0.000 2.252 499 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 499 V C 2.000 178.093 176.094 -0.001 0.000 1.056 499 V CA 2.631 64.932 62.300 0.001 0.000 1.022 499 V CB -1.516 30.309 31.823 0.003 0.000 0.641 499 V HN 0.441 nan 8.190 nan 0.000 0.445 500 T N 0.223 114.776 114.554 -0.002 0.000 2.653 500 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 500 T C 1.946 176.640 174.700 -0.009 0.000 1.035 500 T CA 2.667 64.766 62.100 -0.002 0.000 1.154 500 T CB -0.469 68.398 68.868 -0.001 0.000 0.862 500 T HN 0.673 nan 8.240 nan 0.000 0.441 501 R N 0.839 121.327 120.500 -0.021 0.000 2.088 501 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 501 R C 2.661 178.920 176.300 -0.068 0.000 1.136 501 R CA 1.986 58.062 56.100 -0.040 0.000 0.926 501 R CB -0.579 29.693 30.300 -0.047 0.000 0.837 501 R HN 0.304 nan 8.270 nan 0.000 0.429 502 S N 0.914 116.562 115.700 -0.087 0.000 2.422 502 S HA -0.344 4.126 4.470 -0.000 0.000 0.248 502 S C 2.080 176.641 174.600 -0.065 0.000 1.069 502 S CA 1.773 59.883 58.200 -0.150 0.000 1.214 502 S CB -0.947 62.221 63.200 -0.055 0.000 1.122 502 S HN 0.643 nan 8.310 nan 0.000 0.432 503 A N 2.249 125.090 122.820 0.035 0.000 1.870 503 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 503 A C 2.145 179.771 177.584 0.070 0.000 1.224 503 A CA 2.065 54.152 52.037 0.084 0.000 0.650 503 A CB -1.199 17.830 19.000 0.048 0.000 0.836 503 A HN 0.461 nan 8.150 nan 0.000 0.454 504 L N -0.347 120.890 121.223 0.023 0.000 2.013 504 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 504 L C 2.604 179.482 176.870 0.013 0.000 1.073 504 L CA 2.764 57.614 54.840 0.016 0.000 0.753 504 L CB -1.163 40.896 42.059 0.000 0.000 0.890 504 L HN 0.618 nan 8.230 nan 0.000 0.432 505 Q N -1.366 118.414 119.800 -0.034 0.000 2.050 505 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 505 Q C 2.107 178.117 176.000 0.017 0.000 0.980 505 Q CA 1.781 57.547 55.803 -0.062 0.000 0.840 505 Q CB -0.318 28.314 28.738 -0.178 0.000 0.898 505 Q HN 0.458 nan 8.270 nan 0.000 0.424 506 Y N 0.662 120.961 120.300 -0.002 0.000 2.128 506 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 506 Y C 2.486 178.384 175.900 -0.002 0.000 1.154 506 Y CA 0.895 58.994 58.100 -0.002 0.000 1.149 506 Y CB -1.030 37.427 38.460 -0.004 0.000 0.976 506 Y HN 0.148 nan 8.280 nan 0.000 0.505 507 A N 0.011 122.935 122.820 0.173 0.000 1.892 507 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 507 A C 2.545 180.172 177.584 0.071 0.000 1.188 507 A CA 2.455 54.546 52.037 0.090 0.000 0.631 507 A CB -1.395 17.641 19.000 0.061 0.000 0.822 507 A HN 0.427 nan 8.150 nan 0.000 0.447 508 A N -0.648 122.209 122.820 0.062 0.000 1.873 508 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 508 A C 2.468 180.083 177.584 0.052 0.000 1.193 508 A CA 2.605 54.668 52.037 0.043 0.000 0.629 508 A CB -1.313 17.704 19.000 0.027 0.000 0.826 508 A HN 0.749 nan 8.150 nan 0.000 0.447 509 S N -0.884 114.864 115.700 0.080 0.000 2.427 509 S HA -0.236 4.234 4.470 -0.000 0.000 0.231 509 S C 1.980 176.617 174.600 0.061 0.000 1.045 509 S CA 2.538 60.791 58.200 0.088 0.000 1.154 509 S CB -1.024 62.280 63.200 0.174 0.000 1.093 509 S HN 0.924 nan 8.310 nan 0.000 0.422 510 V N 2.240 122.191 119.914 0.062 0.000 2.282 510 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 510 V C 2.634 178.742 176.094 0.023 0.000 1.057 510 V CA 2.562 64.881 62.300 0.031 0.000 1.032 510 V CB -1.520 30.312 31.823 0.016 0.000 0.645 510 V HN 0.699 nan 8.190 nan 0.000 0.447 511 A N 0.211 123.047 122.820 0.027 0.000 1.852 511 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 511 A C 2.468 180.061 177.584 0.015 0.000 1.215 511 A CA 2.615 54.663 52.037 0.019 0.000 0.641 511 A CB -1.794 17.218 19.000 0.020 0.000 0.838 511 A HN 0.768 nan 8.150 nan 0.000 0.450 512 G N -0.782 108.029 108.800 0.017 0.000 2.440 512 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 512 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 512 G C 1.445 176.352 174.900 0.011 0.000 1.154 512 G CA 1.257 46.365 45.100 0.013 0.000 0.767 512 G HN 0.401 nan 8.290 nan 0.000 0.552 513 L N 0.321 121.553 121.223 0.015 0.000 2.034 513 L HA -0.136 4.204 4.340 -0.000 0.000 0.217 513 L C 3.008 179.880 176.870 0.004 0.000 1.077 513 L CA 1.865 56.712 54.840 0.011 0.000 0.769 513 L CB -0.399 41.669 42.059 0.014 0.000 0.890 513 L HN 0.280 nan 8.230 nan 0.000 0.435 514 M N -1.725 117.877 119.600 0.003 0.000 2.098 514 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 514 M C 2.150 178.448 176.300 -0.004 0.000 1.072 514 M CA 1.649 56.948 55.300 -0.003 0.000 1.133 514 M CB -0.356 32.243 32.600 -0.002 0.000 1.344 514 M HN 0.160 nan 8.290 nan 0.000 0.414 515 I N 0.321 120.891 120.570 0.000 0.000 2.761 515 I HA -0.246 3.924 4.170 -0.000 0.000 0.266 515 I C 1.779 177.897 176.117 0.001 0.000 1.239 515 I CA 1.394 62.694 61.300 0.001 0.000 1.451 515 I CB -0.712 37.291 38.000 0.004 0.000 1.096 515 I HN 0.462 nan 8.210 nan 0.000 0.465 516 T N -4.655 109.899 114.554 0.001 0.000 3.044 516 T HA 0.145 4.495 4.350 -0.000 0.000 0.260 516 T C 0.673 175.372 174.700 -0.003 0.000 1.019 516 T CA -0.254 61.847 62.100 0.001 0.000 0.921 516 T CB -0.181 68.689 68.868 0.004 0.000 1.053 516 T HN -0.034 nan 8.240 nan 0.000 0.533 517 T N 2.828 117.376 114.554 -0.010 0.000 2.832 517 T HA 0.290 4.640 4.350 -0.000 0.000 0.296 517 T C 0.567 175.251 174.700 -0.026 0.000 0.968 517 T CA -0.373 61.715 62.100 -0.021 0.000 1.107 517 T CB 1.307 70.158 68.868 -0.027 0.000 0.916 517 T HN 0.116 nan 8.240 nan 0.000 0.517 518 E N 0.467 120.647 120.200 -0.033 0.000 2.514 518 E HA 0.186 4.536 4.350 -0.000 0.000 0.215 518 E C 0.085 176.622 176.600 -0.104 0.000 0.946 518 E CA 0.050 56.437 56.400 -0.021 0.000 1.038 518 E CB 0.807 30.524 29.700 0.028 0.000 1.069 518 E HN 0.544 nan 8.360 nan 0.000 0.503 519 C N 0.443 119.638 119.300 -0.176 0.000 3.086 519 C HA 0.712 5.172 4.460 -0.000 0.000 0.311 519 C C -1.468 173.385 174.990 -0.228 0.000 1.260 519 C CA -0.509 58.295 59.018 -0.357 0.000 1.426 519 C CB 0.838 28.310 27.740 -0.447 0.000 1.826 519 C HN 0.144 nan 8.230 nan 0.000 0.474 520 M N 4.416 123.876 119.600 -0.234 0.000 2.324 520 M HA 0.520 5.000 4.480 -0.000 0.000 0.288 520 M C -1.201 175.182 176.300 0.139 0.000 1.097 520 M CA -0.434 54.858 55.300 -0.013 0.000 0.928 520 M CB 2.074 34.692 32.600 0.029 0.000 1.648 520 M HN 0.371 nan 8.290 nan 0.000 0.460 521 V N 1.156 121.140 119.914 0.117 0.000 2.628 521 V HA 0.909 5.029 4.120 -0.000 0.000 0.306 521 V C -0.194 175.912 176.094 0.020 0.000 1.045 521 V CA -0.374 61.975 62.300 0.082 0.000 0.905 521 V CB 2.106 33.936 31.823 0.012 0.000 0.997 521 V HN 0.952 nan 8.190 nan 0.000 0.436 522 T N 1.214 115.722 114.554 -0.077 0.000 2.700 522 T HA 0.292 4.642 4.350 -0.000 0.000 0.307 522 T C -1.647 172.949 174.700 -0.173 0.000 1.580 522 T CA -0.579 61.408 62.100 -0.187 0.000 0.992 522 T CB 1.857 70.470 68.868 -0.426 0.000 1.577 522 T HN 0.648 nan 8.240 nan 0.000 0.496 523 D N 1.033 121.338 120.400 -0.159 0.000 2.384 523 D HA 0.404 5.044 4.640 -0.000 0.000 0.244 523 D C 0.130 176.346 176.300 -0.140 0.000 1.251 523 D CA -0.099 53.832 54.000 -0.115 0.000 0.961 523 D CB 0.447 41.195 40.800 -0.086 0.000 1.116 523 D HN 0.408 nan 8.370 nan 0.000 0.484 524 L N 1.942 123.112 121.223 -0.088 0.000 2.334 524 L HA 0.198 4.538 4.340 -0.000 0.000 0.277 524 L C -0.570 176.259 176.870 -0.070 0.000 1.075 524 L CA -1.365 53.431 54.840 -0.075 0.000 0.804 524 L CB 0.963 43.000 42.059 -0.037 0.000 1.174 524 L HN 0.345 nan 8.230 nan 0.000 0.438 525 P HA -0.110 nan 4.420 nan 0.000 0.213 525 P C 0.137 177.417 177.300 -0.034 0.000 1.170 525 P CA 1.531 64.601 63.100 -0.050 0.000 0.902 525 P CB 0.183 31.862 31.700 -0.035 0.000 0.789 526 K N 0.000 120.386 120.400 -0.024 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543