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 1svt_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.573 177.584 -0.018 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 2.108 124.919 122.820 -0.015 0.000 2.584 3 A HA 0.461 4.781 4.320 -0.000 0.000 0.239 3 A C 0.318 177.888 177.584 -0.023 0.000 1.043 3 A CA 0.565 52.595 52.037 -0.013 0.000 0.756 3 A CB -0.175 18.820 19.000 -0.008 0.000 0.963 3 A HN 0.602 nan 8.150 nan 0.000 0.511 4 K N 1.640 122.029 120.400 -0.019 0.000 2.123 4 K HA 0.415 4.735 4.320 -0.000 0.000 0.248 4 K C -0.858 175.731 176.600 -0.019 0.000 0.969 4 K CA -0.673 55.596 56.287 -0.030 0.000 0.882 4 K CB 1.354 33.842 32.500 -0.021 0.000 1.080 4 K HN 0.744 nan 8.250 nan 0.000 0.441 5 D N 1.292 121.674 120.400 -0.030 0.000 2.217 5 D HA 0.303 4.943 4.640 -0.000 0.000 0.243 5 D C -1.179 175.173 176.300 0.086 0.000 1.054 5 D CA -0.579 53.438 54.000 0.028 0.000 0.838 5 D CB 1.348 42.147 40.800 -0.002 0.000 1.162 5 D HN 0.233 nan 8.370 nan 0.000 0.472 6 V N 1.178 121.120 119.914 0.046 0.000 2.555 6 V HA 0.688 4.808 4.120 -0.000 0.000 0.302 6 V C -0.794 175.168 176.094 -0.219 0.000 1.038 6 V CA -0.588 61.656 62.300 -0.093 0.000 0.887 6 V CB 1.744 33.417 31.823 -0.249 0.000 0.991 6 V HN 0.401 nan 8.190 nan 0.000 0.434 7 K N 4.117 124.284 120.400 -0.388 0.000 2.375 7 K HA 0.636 4.956 4.320 -0.000 0.000 0.249 7 K C -1.689 174.555 176.600 -0.592 0.000 0.942 7 K CA -0.474 55.528 56.287 -0.475 0.000 0.806 7 K CB 2.486 34.578 32.500 -0.681 0.000 1.227 7 K HN 0.735 nan 8.250 nan 0.000 0.430 8 F N 0.308 120.195 119.950 -0.104 0.000 2.492 8 F HA 0.342 4.869 4.527 -0.000 0.000 0.327 8 F C 1.343 177.095 175.800 -0.080 0.000 1.079 8 F CA 0.349 58.306 58.000 -0.072 0.000 0.967 8 F CB 1.790 40.765 39.000 -0.041 0.000 1.169 8 F HN 0.876 nan 8.300 nan 0.000 0.472 9 G N 2.556 111.467 108.800 0.185 0.000 2.651 9 G HA2 -0.520 3.440 3.960 -0.000 0.000 0.315 9 G HA3 -0.520 3.440 3.960 -0.000 0.000 0.315 9 G C 0.988 175.903 174.900 0.025 0.000 1.258 9 G CA 1.126 46.280 45.100 0.090 0.000 1.002 9 G HN 0.846 nan 8.290 nan 0.000 0.551 10 N N 0.794 119.503 118.700 0.015 0.000 2.166 10 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 10 N C 1.728 177.217 175.510 -0.036 0.000 1.019 10 N CA 2.419 55.464 53.050 -0.008 0.000 0.856 10 N CB -0.252 38.232 38.487 -0.005 0.000 0.993 10 N HN 0.537 nan 8.380 nan 0.000 0.426 11 D N 0.324 120.697 120.400 -0.046 0.000 2.092 11 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 11 D C 1.975 178.166 176.300 -0.181 0.000 0.994 11 D CA 1.632 55.571 54.000 -0.101 0.000 0.828 11 D CB -0.938 39.796 40.800 -0.110 0.000 0.963 11 D HN 0.444 nan 8.370 nan 0.000 0.450 12 A N 0.787 123.474 122.820 -0.222 0.000 1.940 12 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 12 A C 2.193 179.673 177.584 -0.174 0.000 1.190 12 A CA 2.035 53.893 52.037 -0.298 0.000 0.647 12 A CB -0.572 18.300 19.000 -0.213 0.000 0.821 12 A HN 0.155 nan 8.150 nan 0.000 0.457 13 R N -1.240 119.204 120.500 -0.093 0.000 2.075 13 R HA 0.017 4.357 4.340 -0.000 0.000 0.226 13 R C 2.121 178.397 176.300 -0.040 0.000 1.114 13 R CA 1.109 57.180 56.100 -0.049 0.000 0.972 13 R CB -0.431 29.854 30.300 -0.025 0.000 0.869 13 R HN 0.393 nan 8.270 nan 0.000 0.437 14 V N 2.100 121.987 119.914 -0.045 0.000 2.255 14 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 14 V C 2.215 178.293 176.094 -0.026 0.000 1.051 14 V CA 1.769 64.051 62.300 -0.031 0.000 1.018 14 V CB -0.418 31.387 31.823 -0.029 0.000 0.641 14 V HN 0.282 nan 8.190 nan 0.000 0.445 15 K N -0.409 119.960 120.400 -0.051 0.000 2.001 15 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 15 K C 2.158 178.768 176.600 0.017 0.000 1.050 15 K CA 2.059 58.339 56.287 -0.011 0.000 0.934 15 K CB -0.847 31.640 32.500 -0.022 0.000 0.718 15 K HN 0.406 nan 8.250 nan 0.000 0.443 16 M N 0.576 120.176 119.600 -0.001 0.000 2.116 16 M HA -0.243 4.236 4.480 -0.000 0.000 0.255 16 M C 2.160 178.473 176.300 0.022 0.000 1.075 16 M CA 1.488 56.802 55.300 0.024 0.000 1.087 16 M CB -0.118 32.487 32.600 0.009 0.000 1.340 16 M HN 0.115 nan 8.290 nan 0.000 0.402 17 L N 0.188 121.417 121.223 0.010 0.000 2.023 17 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 17 L C 2.261 179.140 176.870 0.015 0.000 1.073 17 L CA 1.837 56.684 54.840 0.011 0.000 0.745 17 L CB -0.731 41.331 42.059 0.005 0.000 0.900 17 L HN 0.209 nan 8.230 nan 0.000 0.435 18 R N -0.451 120.059 120.500 0.015 0.000 2.133 18 R HA -0.189 4.151 4.340 -0.000 0.000 0.247 18 R C 2.142 178.455 176.300 0.023 0.000 1.151 18 R CA 1.266 57.378 56.100 0.019 0.000 0.971 18 R CB -1.118 29.195 30.300 0.022 0.000 0.866 18 R HN 0.616 nan 8.270 nan 0.000 0.447 19 G N 0.762 109.581 108.800 0.031 0.000 2.545 19 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 19 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 19 G C 1.486 176.400 174.900 0.024 0.000 1.218 19 G CA 1.206 46.325 45.100 0.032 0.000 0.787 19 G HN 0.155 nan 8.290 nan 0.000 0.571 20 V N 1.579 121.507 119.914 0.023 0.000 2.250 20 V HA -0.354 3.766 4.120 -0.000 0.000 0.250 20 V C 2.533 178.637 176.094 0.016 0.000 1.060 20 V CA 2.479 64.790 62.300 0.019 0.000 1.030 20 V CB -1.048 30.786 31.823 0.018 0.000 0.643 20 V HN 0.491 nan 8.190 nan 0.000 0.445 21 N N -0.251 118.458 118.700 0.015 0.000 2.061 21 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 21 N C 1.744 177.260 175.510 0.011 0.000 1.030 21 N CA 1.543 54.601 53.050 0.012 0.000 0.856 21 N CB -0.319 38.175 38.487 0.011 0.000 1.023 21 N HN 0.322 nan 8.380 nan 0.000 0.424 22 V N 1.660 121.582 119.914 0.012 0.000 2.255 22 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 22 V C 2.235 178.335 176.094 0.009 0.000 1.051 22 V CA 1.320 63.626 62.300 0.010 0.000 1.018 22 V CB -0.679 31.151 31.823 0.011 0.000 0.641 22 V HN 0.369 nan 8.190 nan 0.000 0.445 23 L N 1.006 122.236 121.223 0.011 0.000 1.956 23 L HA -0.184 4.156 4.340 -0.000 0.000 0.216 23 L C 2.567 179.443 176.870 0.010 0.000 1.073 23 L CA 2.960 57.806 54.840 0.010 0.000 0.762 23 L CB -1.756 40.310 42.059 0.011 0.000 0.889 23 L HN 0.305 nan 8.230 nan 0.000 0.433 24 A N -0.287 122.540 122.820 0.011 0.000 1.892 24 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 24 A C 1.913 179.503 177.584 0.009 0.000 1.188 24 A CA 2.095 54.139 52.037 0.012 0.000 0.631 24 A CB -1.006 18.002 19.000 0.013 0.000 0.822 24 A HN 0.628 nan 8.150 nan 0.000 0.447 25 D N -0.100 120.305 120.400 0.008 0.000 2.221 25 D HA -0.064 4.576 4.640 -0.000 0.000 0.204 25 D C 2.055 178.358 176.300 0.005 0.000 0.982 25 D CA 1.450 55.454 54.000 0.006 0.000 0.857 25 D CB -0.363 40.441 40.800 0.006 0.000 0.934 25 D HN 0.495 nan 8.370 nan 0.000 0.475 26 A N 0.177 123.000 122.820 0.004 0.000 1.970 26 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 26 A C 2.421 180.006 177.584 0.003 0.000 1.170 26 A CA 0.640 52.678 52.037 0.002 0.000 0.645 26 A CB -0.236 18.765 19.000 0.001 0.000 0.816 26 A HN 0.147 nan 8.150 nan 0.000 0.447 27 V N -0.084 119.833 119.914 0.005 0.000 2.446 27 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 27 V C 2.267 178.364 176.094 0.006 0.000 1.039 27 V CA 1.825 64.128 62.300 0.005 0.000 1.045 27 V CB -0.574 31.254 31.823 0.007 0.000 0.681 27 V HN 0.486 nan 8.190 nan 0.000 0.459 28 K N 0.537 120.941 120.400 0.007 0.000 2.173 28 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 28 K C 1.961 178.565 176.600 0.006 0.000 1.046 28 K CA 1.899 58.191 56.287 0.008 0.000 0.929 28 K CB -0.466 32.038 32.500 0.008 0.000 0.720 28 K HN 0.591 nan 8.250 nan 0.000 0.453 29 V N -0.979 118.938 119.914 0.004 0.000 3.078 29 V HA -0.126 3.994 4.120 -0.000 0.000 0.265 29 V C 1.822 177.917 176.094 0.002 0.000 1.122 29 V CA 1.923 64.224 62.300 0.002 0.000 1.141 29 V CB -0.971 30.852 31.823 0.000 0.000 0.735 29 V HN 0.323 nan 8.190 nan 0.000 0.498 30 T N -2.128 112.427 114.554 0.002 0.000 3.081 30 T HA 0.279 4.629 4.350 -0.000 0.000 0.250 30 T C 0.564 175.266 174.700 0.003 0.000 1.100 30 T CA -0.033 62.067 62.100 0.001 0.000 1.038 30 T CB -0.139 68.729 68.868 -0.000 0.000 0.962 30 T HN 0.389 nan 8.240 nan 0.000 0.516 31 L N 2.467 123.693 121.223 0.006 0.000 2.416 31 L HA 0.559 4.898 4.340 -0.000 0.000 0.272 31 L C 0.654 177.529 176.870 0.008 0.000 1.161 31 L CA 1.524 56.369 54.840 0.008 0.000 0.845 31 L CB -0.349 41.717 42.059 0.012 0.000 1.119 31 L HN 0.663 nan 8.230 nan 0.000 0.464 32 G N 4.139 112.943 108.800 0.007 0.000 2.603 32 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 32 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 32 G C -2.404 172.495 174.900 -0.001 0.000 1.286 32 G CA -0.298 44.806 45.100 0.007 0.000 0.871 32 G HN 0.520 nan 8.290 nan 0.000 0.568 33 P HA 0.062 nan 4.420 nan 0.000 0.225 33 P C 0.928 178.221 177.300 -0.013 0.000 1.156 33 P CA 1.085 64.176 63.100 -0.015 0.000 0.787 33 P CB 0.150 31.833 31.700 -0.029 0.000 0.802 34 K N 0.418 120.815 120.400 -0.006 0.000 2.500 34 K HA 0.236 4.556 4.320 -0.000 0.000 0.206 34 K C 1.030 177.630 176.600 0.000 0.000 1.034 34 K CA -0.263 56.022 56.287 -0.003 0.000 1.179 34 K CB 0.221 32.722 32.500 0.002 0.000 0.884 34 K HN 0.056 nan 8.250 nan 0.000 0.493 35 G N 1.570 110.370 108.800 -0.001 0.000 2.432 35 G HA2 0.013 3.973 3.960 -0.000 0.000 0.239 35 G HA3 0.013 3.973 3.960 -0.000 0.000 0.239 35 G C -0.077 174.821 174.900 -0.003 0.000 1.291 35 G CA -0.253 44.847 45.100 -0.000 0.000 0.863 35 G HN 0.235 nan 8.290 nan 0.000 0.560 36 R N 1.144 121.642 120.500 -0.003 0.000 2.797 36 R HA 0.376 4.716 4.340 -0.000 0.000 0.251 36 R C -0.380 175.917 176.300 -0.005 0.000 1.107 36 R CA -1.011 55.087 56.100 -0.004 0.000 1.084 36 R CB 1.010 31.308 30.300 -0.004 0.000 1.205 36 R HN 0.488 nan 8.270 nan 0.000 0.515 37 N N -0.248 118.448 118.700 -0.007 0.000 2.485 37 N HA 0.415 5.155 4.740 -0.000 0.000 0.280 37 N C -0.910 174.595 175.510 -0.009 0.000 1.205 37 N CA -0.529 52.517 53.050 -0.008 0.000 0.959 37 N CB 1.787 40.268 38.487 -0.009 0.000 1.206 37 N HN 0.117 nan 8.380 nan 0.000 0.545 38 V N 0.738 120.646 119.914 -0.010 0.000 2.680 38 V HA 0.412 4.532 4.120 -0.000 0.000 0.309 38 V C -0.199 175.885 176.094 -0.016 0.000 1.052 38 V CA -0.828 61.465 62.300 -0.012 0.000 0.908 38 V CB 2.196 34.013 31.823 -0.010 0.000 1.001 38 V HN 0.297 nan 8.190 nan 0.000 0.431 39 V N 5.568 125.470 119.914 -0.020 0.000 2.370 39 V HA 0.490 4.610 4.120 -0.000 0.000 0.283 39 V C -0.389 175.684 176.094 -0.035 0.000 1.023 39 V CA -0.396 61.888 62.300 -0.027 0.000 0.857 39 V CB 1.348 33.153 31.823 -0.029 0.000 0.985 39 V HN 0.614 nan 8.190 nan 0.000 0.443 40 L N 3.902 125.099 121.223 -0.042 0.000 2.319 40 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 40 L C -0.012 176.802 176.870 -0.095 0.000 1.005 40 L CA -0.571 54.237 54.840 -0.053 0.000 0.828 40 L CB 1.551 43.589 42.059 -0.035 0.000 1.227 40 L HN 0.497 nan 8.230 nan 0.000 0.415 41 D N 3.199 123.529 120.400 -0.115 0.000 2.378 41 D HA 0.178 4.818 4.640 -0.000 0.000 0.238 41 D C -0.503 175.598 176.300 -0.332 0.000 1.180 41 D CA 0.473 54.363 54.000 -0.183 0.000 0.895 41 D CB 0.791 41.498 40.800 -0.155 0.000 1.192 41 D HN 0.371 nan 8.370 nan 0.000 0.438 42 K N 0.694 120.782 120.400 -0.519 0.000 2.690 42 K HA 0.139 4.459 4.320 -0.000 0.000 0.264 42 K C 0.835 176.773 176.600 -1.105 0.000 1.040 42 K CA -0.342 55.216 56.287 -1.215 0.000 0.946 42 K CB 1.183 33.157 32.500 -0.876 0.000 1.268 42 K HN 0.357 nan 8.250 nan 0.000 0.473 43 S N 3.118 118.206 115.700 -1.020 0.000 2.378 43 S HA -0.240 4.230 4.470 -0.000 0.000 0.221 43 S C 1.487 176.061 174.600 -0.044 0.000 1.037 43 S CA 1.544 59.583 58.200 -0.268 0.000 1.069 43 S CB -0.796 62.428 63.200 0.039 0.000 1.006 43 S HN 0.539 nan 8.310 nan 0.000 0.423 44 F N 2.432 122.379 119.950 -0.006 0.000 2.886 44 F HA -0.242 4.285 4.527 -0.000 0.000 0.279 44 F C 1.837 177.634 175.800 -0.005 0.000 1.329 44 F CA 0.691 58.687 58.000 -0.006 0.000 1.557 44 F CB -2.118 36.878 39.000 -0.006 0.000 0.721 44 F HN 0.597 nan 8.300 nan 0.000 0.542 45 G N -1.079 107.805 108.800 0.140 0.000 3.039 45 G HA2 0.673 4.633 3.960 -0.000 0.000 0.159 45 G HA3 0.673 4.633 3.960 -0.000 0.000 0.159 45 G C -0.555 174.330 174.900 -0.024 0.000 1.284 45 G CA -0.249 44.883 45.100 0.054 0.000 0.996 45 G HN 0.775 nan 8.290 nan 0.000 0.592 46 A N -0.048 122.760 122.820 -0.020 0.000 2.346 46 A HA 0.651 4.971 4.320 -0.000 0.000 0.252 46 A C -1.979 175.563 177.584 -0.071 0.000 1.089 46 A CA -0.609 51.403 52.037 -0.042 0.000 0.797 46 A CB -0.286 18.700 19.000 -0.023 0.000 1.047 46 A HN 0.407 nan 8.150 nan 0.000 0.494 47 P HA 0.281 nan 4.420 nan 0.000 0.272 47 P C -0.291 176.975 177.300 -0.057 0.000 1.254 47 P CA 0.075 63.120 63.100 -0.091 0.000 0.795 47 P CB 0.466 32.120 31.700 -0.077 0.000 1.022 48 T N 0.801 115.324 114.554 -0.051 0.000 2.848 48 T HA 0.562 4.912 4.350 -0.000 0.000 0.285 48 T C -0.302 174.383 174.700 -0.025 0.000 0.995 48 T CA -0.254 61.829 62.100 -0.029 0.000 0.970 48 T CB 0.155 69.010 68.868 -0.022 0.000 0.976 48 T HN 0.086 nan 8.240 nan 0.000 0.441 49 I N 2.607 123.167 120.570 -0.018 0.000 2.392 49 I HA 0.597 4.767 4.170 -0.000 0.000 0.295 49 I C 0.450 176.560 176.117 -0.012 0.000 0.985 49 I CA -0.173 61.117 61.300 -0.016 0.000 1.221 49 I CB 2.029 40.020 38.000 -0.015 0.000 1.366 49 I HN 0.459 nan 8.210 nan 0.000 0.467 50 T N 4.075 118.623 114.554 -0.011 0.000 2.932 50 T HA 0.290 4.639 4.350 -0.000 0.000 0.318 50 T C 0.060 174.755 174.700 -0.009 0.000 1.265 50 T CA -0.629 61.465 62.100 -0.009 0.000 1.036 50 T CB 1.395 70.258 68.868 -0.008 0.000 1.209 50 T HN 0.697 nan 8.240 nan 0.000 0.484 51 K N 1.712 122.107 120.400 -0.009 0.000 2.374 51 K HA 0.203 4.523 4.320 -0.000 0.000 0.196 51 K C -0.086 176.510 176.600 -0.008 0.000 1.023 51 K CA -0.023 56.259 56.287 -0.008 0.000 1.103 51 K CB 0.313 32.808 32.500 -0.009 0.000 0.848 51 K HN 0.500 nan 8.250 nan 0.000 0.528 52 D N -0.359 120.035 120.400 -0.010 0.000 2.411 52 D HA 0.141 4.781 4.640 -0.000 0.000 0.225 52 D C 1.186 177.481 176.300 -0.008 0.000 1.156 52 D CA -0.067 53.926 54.000 -0.013 0.000 0.874 52 D CB 1.110 41.899 40.800 -0.019 0.000 1.034 52 D HN 0.208 nan 8.370 nan 0.000 0.502 53 G N 2.729 111.526 108.800 -0.005 0.000 2.624 53 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.221 53 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.221 53 G C 1.511 176.410 174.900 -0.001 0.000 1.169 53 G CA 1.053 46.153 45.100 -0.000 0.000 0.771 53 G HN 0.532 nan 8.290 nan 0.000 0.598 54 V N 0.197 120.108 119.914 -0.004 0.000 2.759 54 V HA -0.059 4.061 4.120 -0.000 0.000 0.256 54 V C 2.770 178.862 176.094 -0.003 0.000 1.080 54 V CA 2.601 64.898 62.300 -0.005 0.000 1.101 54 V CB -0.172 31.645 31.823 -0.011 0.000 0.698 54 V HN 0.338 nan 8.190 nan 0.000 0.477 55 S N -0.481 115.217 115.700 -0.003 0.000 2.377 55 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 55 S C 1.857 176.460 174.600 0.004 0.000 1.030 55 S CA 1.374 59.575 58.200 0.002 0.000 0.970 55 S CB 0.102 63.303 63.200 0.000 0.000 0.830 55 S HN 0.484 nan 8.310 nan 0.000 0.473 56 V N 2.265 122.179 119.914 0.001 0.000 2.392 56 V HA -0.251 3.868 4.120 -0.000 0.000 0.249 56 V C 2.583 178.680 176.094 0.004 0.000 1.059 56 V CA 1.843 64.144 62.300 0.001 0.000 1.051 56 V CB -1.140 30.682 31.823 -0.001 0.000 0.658 56 V HN 0.530 nan 8.190 nan 0.000 0.455 57 A N -0.056 122.766 122.820 0.004 0.000 1.855 57 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 57 A C 2.321 179.908 177.584 0.006 0.000 1.191 57 A CA 1.511 53.551 52.037 0.004 0.000 0.613 57 A CB -0.522 18.479 19.000 0.002 0.000 0.829 57 A HN 0.480 nan 8.150 nan 0.000 0.442 58 R N -0.169 120.335 120.500 0.007 0.000 2.261 58 R HA -0.116 4.224 4.340 -0.000 0.000 0.236 58 R C 1.420 177.731 176.300 0.018 0.000 1.141 58 R CA 1.242 57.348 56.100 0.010 0.000 1.001 58 R CB -0.185 30.122 30.300 0.013 0.000 0.866 58 R HN 0.567 nan 8.270 nan 0.000 0.468 59 E N 0.278 120.489 120.200 0.019 0.000 2.318 59 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 59 E C 0.680 177.289 176.600 0.015 0.000 0.998 59 E CA 0.212 56.625 56.400 0.023 0.000 0.859 59 E CB 0.252 29.961 29.700 0.016 0.000 0.812 59 E HN 0.150 nan 8.360 nan 0.000 0.492 60 I N 2.103 122.679 120.570 0.010 0.000 2.556 60 I HA 0.091 4.261 4.170 -0.000 0.000 0.284 60 I C 0.444 176.566 176.117 0.008 0.000 1.114 60 I CA 0.415 61.719 61.300 0.008 0.000 1.418 60 I CB 0.176 38.180 38.000 0.007 0.000 1.394 60 I HN -0.002 nan 8.210 nan 0.000 0.552 61 E N 5.844 126.048 120.200 0.007 0.000 2.311 61 E HA 0.427 4.777 4.350 -0.000 0.000 0.281 61 E C -1.964 174.638 176.600 0.003 0.000 0.905 61 E CA -0.642 55.761 56.400 0.005 0.000 0.778 61 E CB 1.797 31.501 29.700 0.006 0.000 1.240 61 E HN 0.245 nan 8.360 nan 0.000 0.410 62 L N 3.042 124.266 121.223 0.001 0.000 2.331 62 L HA 0.377 4.717 4.340 -0.000 0.000 0.268 62 L C 1.361 178.228 176.870 -0.005 0.000 1.015 62 L CA -0.004 54.838 54.840 0.002 0.000 0.807 62 L CB 1.292 43.357 42.059 0.010 0.000 1.293 62 L HN 0.839 nan 8.230 nan 0.000 0.451 63 E N -0.290 119.908 120.200 -0.003 0.000 2.086 63 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 63 E C 0.000 176.589 176.600 -0.019 0.000 0.975 63 E CA 0.090 56.483 56.400 -0.011 0.000 0.813 63 E CB 0.298 29.994 29.700 -0.007 0.000 0.768 63 E HN 0.664 nan 8.360 nan 0.000 0.457 64 D N 1.108 121.506 120.400 -0.003 0.000 2.382 64 D HA -0.065 4.574 4.640 -0.000 0.000 0.259 64 D C 0.712 176.995 176.300 -0.027 0.000 1.224 64 D CA 0.102 54.103 54.000 0.003 0.000 0.894 64 D CB 0.994 41.825 40.800 0.051 0.000 1.127 64 D HN -0.057 nan 8.370 nan 0.000 0.487 65 K N 3.443 123.764 120.400 -0.132 0.000 2.211 65 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 65 K C 1.641 178.117 176.600 -0.208 0.000 1.047 65 K CA 0.957 57.104 56.287 -0.232 0.000 0.935 65 K CB -0.190 32.066 32.500 -0.407 0.000 0.728 65 K HN 0.491 nan 8.250 nan 0.000 0.452 66 F N 1.443 121.381 119.950 -0.020 0.000 2.179 66 F HA -0.018 4.509 4.527 -0.000 0.000 0.292 66 F C 2.266 178.057 175.800 -0.015 0.000 1.089 66 F CA 0.858 58.845 58.000 -0.022 0.000 1.295 66 F CB -0.501 38.483 39.000 -0.026 0.000 1.041 66 F HN 0.073 nan 8.300 nan 0.000 0.487 67 E N -0.033 120.278 120.200 0.185 0.000 2.118 67 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 67 E C 1.814 178.452 176.600 0.063 0.000 0.992 67 E CA 1.296 57.756 56.400 0.100 0.000 0.804 67 E CB -0.443 29.300 29.700 0.071 0.000 0.741 67 E HN 0.288 nan 8.360 nan 0.000 0.458 68 N N 1.002 119.726 118.700 0.040 0.000 2.060 68 N HA -0.201 4.538 4.740 -0.000 0.000 0.195 68 N C 1.745 177.269 175.510 0.024 0.000 1.028 68 N CA 1.526 54.586 53.050 0.016 0.000 0.861 68 N CB -0.104 38.376 38.487 -0.013 0.000 1.029 68 N HN 0.096 nan 8.380 nan 0.000 0.428 69 M N -0.691 118.932 119.600 0.039 0.000 2.108 69 M HA -0.077 4.403 4.480 -0.000 0.000 0.261 69 M C 2.103 178.429 176.300 0.043 0.000 1.066 69 M CA 1.723 57.049 55.300 0.043 0.000 1.107 69 M CB -0.596 32.049 32.600 0.075 0.000 1.356 69 M HN 0.342 nan 8.290 nan 0.000 0.406 70 G N -0.178 108.655 108.800 0.055 0.000 2.514 70 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 70 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 70 G C 1.551 176.469 174.900 0.029 0.000 1.198 70 G CA 1.150 46.274 45.100 0.041 0.000 0.780 70 G HN 0.567 nan 8.290 nan 0.000 0.565 71 A N -0.439 122.396 122.820 0.026 0.000 1.933 71 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 71 A C 2.345 179.937 177.584 0.014 0.000 1.175 71 A CA 1.920 53.968 52.037 0.018 0.000 0.628 71 A CB -0.336 18.673 19.000 0.016 0.000 0.814 71 A HN 0.331 nan 8.150 nan 0.000 0.444 72 Q N -1.217 118.592 119.800 0.014 0.000 2.364 72 Q HA 0.007 4.347 4.340 -0.000 0.000 0.207 72 Q C 1.869 177.873 176.000 0.007 0.000 0.970 72 Q CA 1.064 56.871 55.803 0.008 0.000 0.888 72 Q CB -0.180 28.561 28.738 0.005 0.000 0.951 72 Q HN 0.792 nan 8.270 nan 0.000 0.469 73 M N -0.892 118.716 119.600 0.013 0.000 2.412 73 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 73 M C 2.016 178.323 176.300 0.013 0.000 1.122 73 M CA 0.578 55.886 55.300 0.013 0.000 1.179 73 M CB 0.295 32.907 32.600 0.019 0.000 1.335 73 M HN 0.000 nan 8.290 nan 0.000 0.465 74 V N -0.490 119.433 119.914 0.016 0.000 2.594 74 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 74 V C 2.018 178.118 176.094 0.010 0.000 1.069 74 V CA 1.765 64.076 62.300 0.017 0.000 1.082 74 V CB -1.485 30.350 31.823 0.019 0.000 0.680 74 V HN 0.517 nan 8.190 nan 0.000 0.469 75 K N 1.199 121.602 120.400 0.006 0.000 2.360 75 K HA -0.238 4.082 4.320 -0.000 0.000 0.201 75 K C 2.013 178.605 176.600 -0.012 0.000 1.046 75 K CA 1.851 58.138 56.287 -0.001 0.000 0.940 75 K CB -0.123 32.377 32.500 0.000 0.000 0.748 75 K HN 0.689 nan 8.250 nan 0.000 0.465 76 E N 0.773 120.964 120.200 -0.014 0.000 2.442 76 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 76 E C 1.767 178.333 176.600 -0.057 0.000 1.030 76 E CA 0.380 56.758 56.400 -0.037 0.000 0.869 76 E CB 0.286 29.967 29.700 -0.032 0.000 0.857 76 E HN 0.295 nan 8.360 nan 0.000 0.505 77 V N -0.419 119.483 119.914 -0.020 0.000 2.379 77 V HA -0.036 4.084 4.120 -0.000 0.000 0.245 77 V C 2.166 178.245 176.094 -0.024 0.000 1.044 77 V CA 1.770 64.069 62.300 -0.001 0.000 1.036 77 V CB -0.268 31.591 31.823 0.060 0.000 0.664 77 V HN 0.266 nan 8.190 nan 0.000 0.453 78 A N -0.236 122.577 122.820 -0.011 0.000 1.969 78 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 78 A C 2.539 180.104 177.584 -0.031 0.000 1.169 78 A CA 2.100 54.134 52.037 -0.004 0.000 0.635 78 A CB -0.950 18.051 19.000 0.002 0.000 0.810 78 A HN 0.652 nan 8.150 nan 0.000 0.445 79 S N -0.783 114.886 115.700 -0.051 0.000 2.345 79 S HA -0.147 4.323 4.470 -0.000 0.000 0.220 79 S C 2.249 176.777 174.600 -0.119 0.000 1.031 79 S CA 1.563 59.723 58.200 -0.066 0.000 0.996 79 S CB -0.276 62.888 63.200 -0.060 0.000 0.882 79 S HN 0.386 nan 8.310 nan 0.000 0.445 80 K N 1.574 121.845 120.400 -0.216 0.000 2.009 80 K HA 0.002 4.322 4.320 -0.000 0.000 0.210 80 K C 2.290 178.634 176.600 -0.427 0.000 1.049 80 K CA 1.523 57.555 56.287 -0.425 0.000 0.929 80 K CB -1.286 30.759 32.500 -0.758 0.000 0.714 80 K HN 0.388 nan 8.250 nan 0.000 0.440 81 A N 1.966 124.623 122.820 -0.270 0.000 1.896 81 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 81 A C 2.148 179.763 177.584 0.053 0.000 1.206 81 A CA 2.337 54.411 52.037 0.062 0.000 0.647 81 A CB -1.008 18.068 19.000 0.127 0.000 0.828 81 A HN 0.595 nan 8.150 nan 0.000 0.455 82 N N -0.322 118.380 118.700 0.003 0.000 2.061 82 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 82 N C 0.848 176.380 175.510 0.037 0.000 1.030 82 N CA 1.800 54.859 53.050 0.015 0.000 0.856 82 N CB -0.299 38.183 38.487 -0.009 0.000 1.023 82 N HN 0.525 nan 8.380 nan 0.000 0.424 83 D N -0.097 120.302 120.400 -0.003 0.000 2.312 83 D HA -0.041 4.599 4.640 -0.000 0.000 0.211 83 D C 1.368 177.702 176.300 0.056 0.000 0.964 83 D CA 0.617 54.628 54.000 0.018 0.000 0.877 83 D CB 0.118 40.902 40.800 -0.026 0.000 0.924 83 D HN 0.414 nan 8.370 nan 0.000 0.515 84 A N 0.747 123.615 122.820 0.080 0.000 2.011 84 A HA 0.485 4.805 4.320 -0.000 0.000 0.204 84 A C 2.111 179.776 177.584 0.136 0.000 1.520 84 A CA 0.860 52.973 52.037 0.127 0.000 0.819 84 A CB -0.451 18.690 19.000 0.236 0.000 1.087 84 A HN 0.161 nan 8.150 nan 0.000 0.526 85 A N -1.382 121.533 122.820 0.159 0.000 1.823 85 A HA 0.379 4.699 4.320 -0.000 0.000 0.214 85 A C 2.012 179.705 177.584 0.181 0.000 1.225 85 A CA 2.316 54.438 52.037 0.143 0.000 0.604 85 A CB -1.014 18.067 19.000 0.134 0.000 0.878 85 A HN 1.936 nan 8.150 nan 0.000 0.450 86 G N -2.363 106.535 108.800 0.163 0.000 2.260 86 G HA2 0.001 3.961 3.960 -0.000 0.000 0.179 86 G HA3 0.001 3.961 3.960 -0.000 0.000 0.179 86 G C -0.216 174.692 174.900 0.014 0.000 1.002 86 G CA 0.572 45.761 45.100 0.149 0.000 0.677 86 G HN 0.773 nan 8.290 nan 0.000 0.486 87 D N -2.141 118.287 120.400 0.048 0.000 2.768 87 D HA 0.553 5.193 4.640 -0.000 0.000 0.327 87 D C 1.139 177.465 176.300 0.043 0.000 1.302 87 D CA 0.943 54.958 54.000 0.025 0.000 0.897 87 D CB 0.632 41.450 40.800 0.031 0.000 1.420 87 D HN 1.304 nan 8.370 nan 0.000 0.494 88 G N -0.447 108.374 108.800 0.035 0.000 2.168 88 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 88 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 88 G C 0.932 175.861 174.900 0.047 0.000 0.977 88 G CA 1.744 46.870 45.100 0.043 0.000 0.659 88 G HN 0.662 nan 8.290 nan 0.000 0.533 89 T N -2.266 112.310 114.554 0.035 0.000 2.821 89 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 89 T C 2.263 176.979 174.700 0.027 0.000 1.046 89 T CA 2.304 64.422 62.100 0.030 0.000 1.139 89 T CB -0.540 68.336 68.868 0.012 0.000 0.871 89 T HN 0.345 nan 8.240 nan 0.000 0.454 90 T N 2.068 116.634 114.554 0.020 0.000 2.701 90 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 90 T C 2.277 176.992 174.700 0.025 0.000 1.040 90 T CA 1.766 63.877 62.100 0.019 0.000 1.147 90 T CB -1.030 67.846 68.868 0.013 0.000 0.865 90 T HN 0.445 nan 8.240 nan 0.000 0.426 91 T N 2.270 116.841 114.554 0.028 0.000 2.570 91 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 91 T C 2.357 177.079 174.700 0.038 0.000 1.071 91 T CA 1.691 63.809 62.100 0.031 0.000 1.172 91 T CB -0.919 67.968 68.868 0.032 0.000 0.864 91 T HN 0.447 nan 8.240 nan 0.000 0.421 92 A N 1.034 123.885 122.820 0.052 0.000 1.909 92 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 92 A C 2.538 180.155 177.584 0.055 0.000 1.223 92 A CA 2.890 54.968 52.037 0.069 0.000 0.658 92 A CB -1.605 17.459 19.000 0.107 0.000 0.831 92 A HN 0.546 nan 8.150 nan 0.000 0.462 93 T N -0.464 114.116 114.554 0.042 0.000 2.746 93 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 93 T C 1.848 176.565 174.700 0.028 0.000 1.039 93 T CA 1.653 63.772 62.100 0.032 0.000 1.142 93 T CB -0.481 68.401 68.868 0.023 0.000 0.866 93 T HN 0.267 nan 8.240 nan 0.000 0.444 94 V N 1.218 121.148 119.914 0.026 0.000 2.594 94 V HA -0.067 4.053 4.120 -0.000 0.000 0.253 94 V C 2.350 178.457 176.094 0.023 0.000 1.069 94 V CA 1.241 63.554 62.300 0.022 0.000 1.082 94 V CB -0.772 31.063 31.823 0.020 0.000 0.680 94 V HN 0.414 nan 8.190 nan 0.000 0.469 95 L N 0.132 121.372 121.223 0.027 0.000 2.131 95 L HA -0.009 4.331 4.340 -0.000 0.000 0.206 95 L C 2.658 179.545 176.870 0.027 0.000 1.087 95 L CA 1.321 56.177 54.840 0.026 0.000 0.767 95 L CB -0.563 41.513 42.059 0.029 0.000 0.917 95 L HN 0.335 nan 8.230 nan 0.000 0.441 96 A N 0.027 122.867 122.820 0.032 0.000 1.970 96 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 96 A C 2.186 179.785 177.584 0.026 0.000 1.170 96 A CA 1.294 53.350 52.037 0.033 0.000 0.645 96 A CB -0.410 18.614 19.000 0.040 0.000 0.816 96 A HN 0.521 nan 8.150 nan 0.000 0.447 97 Q N -0.269 119.544 119.800 0.023 0.000 2.364 97 Q HA 0.132 4.472 4.340 -0.000 0.000 0.207 97 Q C 1.648 177.658 176.000 0.016 0.000 0.970 97 Q CA 1.732 57.547 55.803 0.018 0.000 0.888 97 Q CB -0.330 28.418 28.738 0.017 0.000 0.951 97 Q HN 0.462 nan 8.270 nan 0.000 0.469 98 A N 0.790 123.620 122.820 0.017 0.000 1.871 98 A HA 0.100 4.419 4.320 -0.000 0.000 0.211 98 A C 2.055 179.647 177.584 0.014 0.000 1.207 98 A CA 0.769 52.814 52.037 0.014 0.000 0.620 98 A CB -0.450 18.559 19.000 0.015 0.000 0.860 98 A HN 0.395 nan 8.150 nan 0.000 0.450 99 I N 0.023 120.603 120.570 0.016 0.000 2.208 99 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 99 I C 2.282 178.408 176.117 0.014 0.000 1.097 99 I CA 1.390 62.699 61.300 0.015 0.000 1.363 99 I CB -0.343 37.667 38.000 0.018 0.000 1.051 99 I HN 0.301 nan 8.210 nan 0.000 0.413 100 I N 0.144 120.723 120.570 0.016 0.000 2.233 100 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 100 I C 2.566 178.690 176.117 0.012 0.000 1.093 100 I CA 1.447 62.755 61.300 0.015 0.000 1.380 100 I CB -0.448 37.562 38.000 0.016 0.000 1.067 100 I HN 0.213 nan 8.210 nan 0.000 0.413 101 T N 0.093 114.653 114.554 0.011 0.000 2.684 101 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 101 T C 1.842 176.546 174.700 0.007 0.000 1.036 101 T CA 1.273 63.378 62.100 0.008 0.000 1.148 101 T CB -0.172 68.701 68.868 0.008 0.000 0.863 101 T HN 0.220 nan 8.240 nan 0.000 0.436 102 E N 0.706 120.911 120.200 0.008 0.000 2.047 102 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 102 E C 2.496 179.100 176.600 0.007 0.000 0.987 102 E CA 1.150 57.554 56.400 0.007 0.000 0.799 102 E CB -1.052 28.652 29.700 0.007 0.000 0.752 102 E HN 0.519 nan 8.360 nan 0.000 0.449 103 G N 1.674 110.479 108.800 0.008 0.000 2.628 103 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 103 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 103 G C 1.696 176.600 174.900 0.007 0.000 1.240 103 G CA 1.268 46.373 45.100 0.008 0.000 0.792 103 G HN 0.268 nan 8.290 nan 0.000 0.593 104 L N 0.335 121.562 121.223 0.007 0.000 2.129 104 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 104 L C 2.812 179.684 176.870 0.004 0.000 1.087 104 L CA 1.581 56.424 54.840 0.005 0.000 0.757 104 L CB -0.400 41.661 42.059 0.004 0.000 0.896 104 L HN 0.250 nan 8.230 nan 0.000 0.434 105 K N 0.415 120.818 120.400 0.004 0.000 2.097 105 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 105 K C 2.186 178.788 176.600 0.003 0.000 1.050 105 K CA 1.249 57.538 56.287 0.003 0.000 0.938 105 K CB -0.022 32.480 32.500 0.003 0.000 0.718 105 K HN 0.300 nan 8.250 nan 0.000 0.442 106 A N 0.539 123.361 122.820 0.004 0.000 1.929 106 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 106 A C 2.161 179.748 177.584 0.004 0.000 1.176 106 A CA 1.138 53.178 52.037 0.004 0.000 0.628 106 A CB -0.457 18.546 19.000 0.004 0.000 0.816 106 A HN 0.146 nan 8.150 nan 0.000 0.444 107 V N -0.085 119.831 119.914 0.004 0.000 2.469 107 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 107 V C 2.868 178.964 176.094 0.003 0.000 1.064 107 V CA 1.849 64.152 62.300 0.005 0.000 1.066 107 V CB -0.968 30.858 31.823 0.006 0.000 0.667 107 V HN 0.596 nan 8.190 nan 0.000 0.461 108 A N -0.523 122.299 122.820 0.002 0.000 2.167 108 A HA 0.271 4.591 4.320 -0.000 0.000 0.214 108 A C 2.049 179.634 177.584 0.001 0.000 1.151 108 A CA 1.108 53.145 52.037 0.001 0.000 0.735 108 A CB -0.311 18.689 19.000 0.000 0.000 0.802 108 A HN 0.546 nan 8.150 nan 0.000 0.467 109 A N -1.622 121.199 122.820 0.001 0.000 2.337 109 A HA 0.449 4.769 4.320 -0.000 0.000 0.227 109 A C 1.646 179.230 177.584 0.000 0.000 1.259 109 A CA 0.955 52.992 52.037 0.001 0.000 0.870 109 A CB -0.855 18.146 19.000 0.001 0.000 0.927 109 A HN 1.692 nan 8.150 nan 0.000 0.497 110 G N -1.530 107.270 108.800 0.001 0.000 2.179 110 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 110 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 110 G C 0.250 175.151 174.900 0.001 0.000 0.977 110 G CA 0.485 45.585 45.100 0.000 0.000 0.641 110 G HN 0.393 nan 8.290 nan 0.000 0.533 111 M N 0.780 120.381 119.600 0.002 0.000 2.247 111 M HA 0.262 4.742 4.480 -0.000 0.000 0.318 111 M C 0.764 177.067 176.300 0.004 0.000 1.054 111 M CA 0.247 55.549 55.300 0.003 0.000 1.117 111 M CB 0.270 32.873 32.600 0.004 0.000 1.515 111 M HN 0.369 nan 8.290 nan 0.000 0.442 112 N N 3.091 121.794 118.700 0.004 0.000 2.420 112 N HA 0.319 5.059 4.740 -0.000 0.000 0.249 112 N C -2.359 173.156 175.510 0.007 0.000 1.033 112 N CA -1.915 51.138 53.050 0.006 0.000 0.944 112 N CB 1.057 39.547 38.487 0.005 0.000 1.113 112 N HN 0.192 nan 8.380 nan 0.000 0.502 113 P HA -0.128 nan 4.420 nan 0.000 0.216 113 P C 1.412 178.719 177.300 0.011 0.000 1.153 113 P CA 0.914 64.021 63.100 0.011 0.000 0.848 113 P CB 0.130 31.837 31.700 0.013 0.000 0.787 114 M N -0.447 119.159 119.600 0.011 0.000 2.435 114 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 114 M C 1.043 177.349 176.300 0.010 0.000 1.065 114 M CA 1.461 56.768 55.300 0.011 0.000 1.076 114 M CB -1.514 31.093 32.600 0.011 0.000 1.403 114 M HN -0.104 nan 8.290 nan 0.000 0.454 115 D N -1.033 119.372 120.400 0.008 0.000 2.262 115 D HA 0.075 4.715 4.640 -0.000 0.000 0.212 115 D C 2.120 178.424 176.300 0.007 0.000 0.964 115 D CA 0.572 54.576 54.000 0.007 0.000 0.875 115 D CB 0.099 40.902 40.800 0.006 0.000 0.996 115 D HN 0.301 nan 8.370 nan 0.000 0.497 116 L N 0.983 122.210 121.223 0.008 0.000 2.046 116 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 116 L C 2.488 179.363 176.870 0.009 0.000 1.077 116 L CA 1.101 55.945 54.840 0.008 0.000 0.747 116 L CB -0.299 41.764 42.059 0.008 0.000 0.896 116 L HN -0.020 nan 8.230 nan 0.000 0.432 117 K N 0.508 120.914 120.400 0.010 0.000 1.987 117 K HA -0.230 4.090 4.320 -0.000 0.000 0.216 117 K C 2.286 178.892 176.600 0.010 0.000 1.051 117 K CA 1.697 57.991 56.287 0.012 0.000 0.942 117 K CB -0.100 32.408 32.500 0.013 0.000 0.722 117 K HN 0.155 nan 8.250 nan 0.000 0.444 118 R N -0.306 120.199 120.500 0.009 0.000 2.139 118 R HA -0.149 4.191 4.340 -0.000 0.000 0.243 118 R C 2.418 178.721 176.300 0.006 0.000 1.145 118 R CA 1.380 57.484 56.100 0.007 0.000 0.976 118 R CB -0.628 29.675 30.300 0.007 0.000 0.866 118 R HN 0.478 nan 8.270 nan 0.000 0.449 119 G N 1.532 110.335 108.800 0.006 0.000 2.434 119 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.214 119 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.214 119 G C 1.471 176.374 174.900 0.005 0.000 1.202 119 G CA 0.546 45.649 45.100 0.005 0.000 0.788 119 G HN 0.130 nan 8.290 nan 0.000 0.539 120 I N 1.420 121.994 120.570 0.006 0.000 2.113 120 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 120 I C 2.440 178.560 176.117 0.004 0.000 1.057 120 I CA 1.924 63.228 61.300 0.006 0.000 1.314 120 I CB -0.123 37.883 38.000 0.009 0.000 1.022 120 I HN 0.145 nan 8.210 nan 0.000 0.408 121 D N 0.227 120.630 120.400 0.005 0.000 2.117 121 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 121 D C 2.066 178.366 176.300 -0.000 0.000 0.982 121 D CA 1.172 55.174 54.000 0.003 0.000 0.828 121 D CB -0.342 40.461 40.800 0.006 0.000 0.967 121 D HN 0.383 nan 8.370 nan 0.000 0.464 122 K N 1.072 121.472 120.400 0.001 0.000 2.097 122 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 122 K C 2.058 178.657 176.600 -0.002 0.000 1.049 122 K CA 1.141 57.428 56.287 -0.000 0.000 0.933 122 K CB 0.013 32.513 32.500 0.001 0.000 0.717 122 K HN -0.002 nan 8.250 nan 0.000 0.442 123 A N 0.898 123.718 122.820 -0.001 0.000 1.865 123 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 123 A C 2.258 179.840 177.584 -0.004 0.000 1.191 123 A CA 1.795 53.832 52.037 -0.001 0.000 0.623 123 A CB -0.876 18.124 19.000 0.001 0.000 0.826 123 A HN 0.170 nan 8.150 nan 0.000 0.444 124 V N 0.239 120.150 119.914 -0.006 0.000 2.324 124 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 124 V C 2.750 178.834 176.094 -0.017 0.000 1.060 124 V CA 2.574 64.866 62.300 -0.013 0.000 1.042 124 V CB -1.317 30.497 31.823 -0.016 0.000 0.650 124 V HN 0.681 nan 8.190 nan 0.000 0.450 125 T N 0.063 114.609 114.554 -0.013 0.000 2.803 125 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 125 T C 1.941 176.634 174.700 -0.012 0.000 1.052 125 T CA 1.496 63.587 62.100 -0.014 0.000 1.136 125 T CB -0.339 68.523 68.868 -0.010 0.000 0.864 125 T HN 0.602 nan 8.240 nan 0.000 0.467 126 A N 1.268 124.083 122.820 -0.009 0.000 1.898 126 A HA 0.438 4.758 4.320 -0.000 0.000 0.214 126 A C 2.651 180.231 177.584 -0.007 0.000 1.183 126 A CA 1.260 53.294 52.037 -0.006 0.000 0.622 126 A CB -0.999 17.999 19.000 -0.004 0.000 0.824 126 A HN 0.477 nan 8.150 nan 0.000 0.444 127 A N -0.397 122.418 122.820 -0.008 0.000 1.933 127 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 127 A C 2.172 179.749 177.584 -0.012 0.000 1.175 127 A CA 1.753 53.785 52.037 -0.008 0.000 0.628 127 A CB -0.787 18.209 19.000 -0.007 0.000 0.814 127 A HN 0.353 nan 8.150 nan 0.000 0.444 128 V N -0.126 119.777 119.914 -0.018 0.000 2.358 128 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 128 V C 2.572 178.656 176.094 -0.016 0.000 1.047 128 V CA 2.039 64.325 62.300 -0.024 0.000 1.035 128 V CB -0.708 31.094 31.823 -0.036 0.000 0.658 128 V HN 0.452 nan 8.190 nan 0.000 0.452 129 E N 0.197 120.390 120.200 -0.013 0.000 2.097 129 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 129 E C 2.312 178.909 176.600 -0.005 0.000 1.000 129 E CA 1.318 57.713 56.400 -0.008 0.000 0.804 129 E CB -0.252 29.445 29.700 -0.006 0.000 0.740 129 E HN 0.541 nan 8.360 nan 0.000 0.454 130 E N -0.040 120.157 120.200 -0.004 0.000 2.072 130 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 130 E C 2.405 179.005 176.600 0.000 0.000 0.982 130 E CA 0.275 56.675 56.400 -0.001 0.000 0.803 130 E CB -0.235 29.466 29.700 0.001 0.000 0.755 130 E HN 0.299 nan 8.360 nan 0.000 0.453 131 L N 0.777 121.999 121.223 -0.002 0.000 2.081 131 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 131 L C 2.315 179.184 176.870 -0.001 0.000 1.080 131 L CA 1.113 55.952 54.840 -0.001 0.000 0.754 131 L CB -0.331 41.724 42.059 -0.006 0.000 0.893 131 L HN -0.009 nan 8.230 nan 0.000 0.433 132 K N 0.035 120.433 120.400 -0.004 0.000 2.209 132 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 132 K C 2.041 178.641 176.600 0.000 0.000 1.048 132 K CA 1.272 57.557 56.287 -0.003 0.000 0.940 132 K CB -0.476 32.021 32.500 -0.005 0.000 0.729 132 K HN 0.302 nan 8.250 nan 0.000 0.451 133 A N -0.246 122.575 122.820 0.001 0.000 1.898 133 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 133 A C 1.978 179.565 177.584 0.006 0.000 1.183 133 A CA 0.939 52.978 52.037 0.003 0.000 0.622 133 A CB -0.387 18.615 19.000 0.003 0.000 0.824 133 A HN 0.176 nan 8.150 nan 0.000 0.444 134 L N 0.290 121.517 121.223 0.007 0.000 2.156 134 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 134 L C 1.716 178.592 176.870 0.011 0.000 1.095 134 L CA 1.249 56.096 54.840 0.011 0.000 0.770 134 L CB -0.362 41.705 42.059 0.013 0.000 0.914 134 L HN 0.392 nan 8.230 nan 0.000 0.439 135 S N -0.072 115.633 115.700 0.008 0.000 2.537 135 S HA 0.297 4.767 4.470 -0.000 0.000 0.286 135 S C -0.173 174.432 174.600 0.008 0.000 1.299 135 S CA -0.502 57.703 58.200 0.008 0.000 1.067 135 S CB 0.357 63.561 63.200 0.006 0.000 0.864 135 S HN 0.136 nan 8.310 nan 0.000 0.494 136 V N 2.410 122.330 119.914 0.009 0.000 2.715 136 V HA 0.736 4.856 4.120 -0.000 0.000 0.310 136 V C -2.681 173.418 176.094 0.008 0.000 1.054 136 V CA -2.699 59.606 62.300 0.008 0.000 0.928 136 V CB 0.698 32.527 31.823 0.010 0.000 1.007 136 V HN 0.717 nan 8.190 nan 0.000 0.437 137 P HA 0.235 nan 4.420 nan 0.000 0.270 137 P C -0.641 176.663 177.300 0.007 0.000 1.227 137 P CA -0.079 63.025 63.100 0.006 0.000 0.788 137 P CB 0.338 32.041 31.700 0.005 0.000 0.926 138 C N 1.459 120.763 119.300 0.006 0.000 2.571 138 C HA 0.604 5.064 4.460 -0.000 0.000 0.343 138 C C 0.930 175.923 174.990 0.006 0.000 1.082 138 C CA 0.551 59.574 59.018 0.007 0.000 1.339 138 C CB -0.462 27.284 27.740 0.009 0.000 1.893 138 C HN 0.688 nan 8.230 nan 0.000 0.445 139 S N 2.242 117.945 115.700 0.005 0.000 2.882 139 S HA 0.202 4.672 4.470 -0.000 0.000 0.258 139 S C -0.005 174.597 174.600 0.004 0.000 1.081 139 S CA 0.324 58.527 58.200 0.004 0.000 0.886 139 S CB -0.374 62.828 63.200 0.003 0.000 0.855 139 S HN 0.891 nan 8.310 nan 0.000 0.467 140 D N 2.552 122.955 120.400 0.004 0.000 2.414 140 D HA 0.271 4.911 4.640 -0.000 0.000 0.242 140 D C 0.819 177.122 176.300 0.005 0.000 1.129 140 D CA 0.146 54.148 54.000 0.004 0.000 0.885 140 D CB 1.145 41.947 40.800 0.004 0.000 1.198 140 D HN 0.106 nan 8.370 nan 0.000 0.437 141 S N 1.962 117.665 115.700 0.004 0.000 2.406 141 S HA -0.335 4.135 4.470 -0.000 0.000 0.242 141 S C 1.606 176.209 174.600 0.005 0.000 1.079 141 S CA 2.203 60.406 58.200 0.004 0.000 1.133 141 S CB -0.370 62.832 63.200 0.004 0.000 1.005 141 S HN 0.778 nan 8.310 nan 0.000 0.443 142 K N 1.100 121.502 120.400 0.004 0.000 2.063 142 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 142 K C 2.170 178.773 176.600 0.005 0.000 1.048 142 K CA 1.347 57.636 56.287 0.004 0.000 0.928 142 K CB -0.383 32.119 32.500 0.004 0.000 0.713 142 K HN 0.320 nan 8.250 nan 0.000 0.442 143 A N 1.183 124.006 122.820 0.006 0.000 1.898 143 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 143 A C 2.106 179.695 177.584 0.008 0.000 1.181 143 A CA 1.292 53.333 52.037 0.007 0.000 0.620 143 A CB -0.522 18.483 19.000 0.007 0.000 0.819 143 A HN 0.365 nan 8.150 nan 0.000 0.442 144 I N -0.125 120.450 120.570 0.008 0.000 2.118 144 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 144 I C 3.000 179.123 176.117 0.010 0.000 1.070 144 I CA 1.304 62.609 61.300 0.010 0.000 1.327 144 I CB -0.316 37.689 38.000 0.009 0.000 1.034 144 I HN 0.375 nan 8.210 nan 0.000 0.405 145 A N -0.217 122.608 122.820 0.008 0.000 1.940 145 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 145 A C 2.191 179.778 177.584 0.006 0.000 1.176 145 A CA 1.826 53.867 52.037 0.007 0.000 0.631 145 A CB -0.647 18.356 19.000 0.005 0.000 0.814 145 A HN 0.511 nan 8.150 nan 0.000 0.446 146 Q N -0.559 119.244 119.800 0.005 0.000 2.020 146 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 146 Q C 2.333 178.336 176.000 0.006 0.000 0.982 146 Q CA 2.269 58.074 55.803 0.003 0.000 0.838 146 Q CB -0.576 28.164 28.738 0.003 0.000 0.899 146 Q HN 0.771 nan 8.270 nan 0.000 0.423 147 V N -1.538 118.382 119.914 0.010 0.000 2.255 147 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 147 V C 2.029 178.132 176.094 0.014 0.000 1.051 147 V CA 2.221 64.528 62.300 0.013 0.000 1.018 147 V CB -1.746 30.087 31.823 0.017 0.000 0.641 147 V HN 0.408 nan 8.190 nan 0.000 0.445 148 G N 0.098 108.908 108.800 0.016 0.000 2.624 148 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.221 148 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.221 148 G C 1.605 176.511 174.900 0.010 0.000 1.169 148 G CA 2.256 47.366 45.100 0.016 0.000 0.771 148 G HN 0.543 nan 8.290 nan 0.000 0.598 149 T N 0.931 115.488 114.554 0.006 0.000 2.684 149 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 149 T C 2.409 177.107 174.700 -0.002 0.000 1.036 149 T CA 1.311 63.411 62.100 0.001 0.000 1.148 149 T CB -0.160 68.707 68.868 -0.002 0.000 0.863 149 T HN 0.173 nan 8.240 nan 0.000 0.436 150 I N 0.728 121.297 120.570 -0.001 0.000 2.439 150 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 150 I C 2.610 178.726 176.117 -0.001 0.000 1.139 150 I CA 0.723 62.021 61.300 -0.004 0.000 1.438 150 I CB -0.425 37.573 38.000 -0.004 0.000 1.085 150 I HN 0.147 nan 8.210 nan 0.000 0.427 151 S N 0.478 116.181 115.700 0.004 0.000 2.370 151 S HA -0.094 4.376 4.470 -0.000 0.000 0.226 151 S C 1.790 176.390 174.600 -0.000 0.000 1.033 151 S CA 1.211 59.414 58.200 0.005 0.000 1.011 151 S CB -0.266 62.942 63.200 0.014 0.000 0.852 151 S HN 0.414 nan 8.310 nan 0.000 0.457 152 A N 1.270 124.090 122.820 -0.001 0.000 2.840 152 A HA 0.357 4.677 4.320 -0.000 0.000 0.269 152 A C 0.473 178.054 177.584 -0.006 0.000 1.439 152 A CA -0.185 51.849 52.037 -0.004 0.000 1.083 152 A CB -1.423 17.576 19.000 -0.001 0.000 1.019 152 A HN 0.750 nan 8.150 nan 0.000 0.607 153 N N 0.612 119.308 118.700 -0.007 0.000 2.669 153 N HA -0.213 4.527 4.740 -0.000 0.000 0.266 153 N C -0.099 175.404 175.510 -0.012 0.000 1.024 153 N CA 0.460 53.504 53.050 -0.010 0.000 0.766 153 N CB -0.698 37.784 38.487 -0.010 0.000 0.898 153 N HN 0.513 nan 8.380 nan 0.000 0.548 154 S N -0.098 115.594 115.700 -0.013 0.000 3.706 154 S HA -0.209 4.261 4.470 -0.000 0.000 0.363 154 S C -0.580 174.012 174.600 -0.013 0.000 0.999 154 S CA 1.033 59.223 58.200 -0.016 0.000 1.143 154 S CB -0.607 62.579 63.200 -0.022 0.000 0.902 154 S HN 0.692 nan 8.310 nan 0.000 0.476 155 D N 0.678 121.073 120.400 -0.009 0.000 2.464 155 D HA 0.291 4.931 4.640 -0.000 0.000 0.243 155 D C 1.095 177.392 176.300 -0.005 0.000 1.104 155 D CA -0.563 53.433 54.000 -0.007 0.000 0.883 155 D CB 0.608 41.405 40.800 -0.006 0.000 1.050 155 D HN 0.367 nan 8.370 nan 0.000 0.524 156 E N 1.016 121.212 120.200 -0.006 0.000 2.114 156 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 156 E C 1.257 177.856 176.600 -0.002 0.000 1.008 156 E CA 1.547 57.945 56.400 -0.004 0.000 0.810 156 E CB 0.261 29.957 29.700 -0.006 0.000 0.739 156 E HN 0.504 nan 8.360 nan 0.000 0.456 157 T N 0.676 115.229 114.554 -0.002 0.000 2.833 157 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 157 T C 2.113 176.814 174.700 0.002 0.000 1.054 157 T CA 1.174 63.274 62.100 0.000 0.000 1.135 157 T CB -0.159 68.709 68.868 -0.000 0.000 0.869 157 T HN 0.006 nan 8.240 nan 0.000 0.466 158 V N 1.376 121.292 119.914 0.003 0.000 2.488 158 V HA 0.027 4.147 4.120 -0.000 0.000 0.246 158 V C 2.874 178.972 176.094 0.008 0.000 1.046 158 V CA 1.579 63.883 62.300 0.005 0.000 1.053 158 V CB -1.469 30.357 31.823 0.005 0.000 0.679 158 V HN 0.552 nan 8.190 nan 0.000 0.458 159 G N 0.688 109.492 108.800 0.006 0.000 2.511 159 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.216 159 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.216 159 G C 1.548 176.453 174.900 0.007 0.000 1.218 159 G CA 1.351 46.455 45.100 0.007 0.000 0.788 159 G HN 0.482 nan 8.290 nan 0.000 0.560 160 K N -0.169 120.234 120.400 0.005 0.000 2.089 160 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 160 K C 2.279 178.882 176.600 0.006 0.000 1.048 160 K CA 1.230 57.520 56.287 0.004 0.000 0.926 160 K CB -0.605 31.897 32.500 0.002 0.000 0.714 160 K HN 0.255 nan 8.250 nan 0.000 0.448 161 L N 0.434 121.661 121.223 0.007 0.000 2.072 161 L HA 0.100 4.440 4.340 -0.000 0.000 0.205 161 L C 2.071 178.947 176.870 0.010 0.000 1.079 161 L CA 1.425 56.270 54.840 0.008 0.000 0.752 161 L CB -0.467 41.597 42.059 0.008 0.000 0.906 161 L HN 0.284 nan 8.230 nan 0.000 0.436 162 I N -0.811 119.766 120.570 0.012 0.000 2.202 162 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 162 I C 2.555 178.680 176.117 0.012 0.000 1.091 162 I CA 1.179 62.488 61.300 0.015 0.000 1.368 162 I CB -0.488 37.524 38.000 0.020 0.000 1.058 162 I HN 0.257 nan 8.210 nan 0.000 0.410 163 A N 0.173 122.999 122.820 0.010 0.000 1.883 163 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 163 A C 2.248 179.836 177.584 0.007 0.000 1.186 163 A CA 1.964 54.006 52.037 0.008 0.000 0.624 163 A CB -0.713 18.291 19.000 0.007 0.000 0.822 163 A HN 0.446 nan 8.150 nan 0.000 0.444 164 E N -0.567 119.637 120.200 0.006 0.000 2.118 164 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 164 E C 2.329 178.932 176.600 0.006 0.000 0.992 164 E CA 0.851 57.255 56.400 0.005 0.000 0.804 164 E CB -0.252 29.451 29.700 0.005 0.000 0.741 164 E HN 0.635 nan 8.360 nan 0.000 0.458 165 A N 1.352 124.177 122.820 0.007 0.000 1.835 165 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 165 A C 2.186 179.774 177.584 0.006 0.000 1.199 165 A CA 1.732 53.774 52.037 0.008 0.000 0.615 165 A CB -0.632 18.375 19.000 0.011 0.000 0.838 165 A HN 0.163 nan 8.150 nan 0.000 0.444 166 M N -0.642 118.962 119.600 0.007 0.000 2.260 166 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 166 M C 1.695 177.997 176.300 0.003 0.000 1.066 166 M CA 1.989 57.291 55.300 0.004 0.000 1.082 166 M CB -0.826 31.777 32.600 0.005 0.000 1.388 166 M HN 0.544 nan 8.290 nan 0.000 0.419 167 D N 0.761 121.163 120.400 0.004 0.000 2.117 167 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 167 D C 1.888 178.189 176.300 0.002 0.000 0.982 167 D CA 1.321 55.322 54.000 0.003 0.000 0.828 167 D CB 0.225 41.027 40.800 0.003 0.000 0.967 167 D HN 0.265 nan 8.370 nan 0.000 0.464 168 K N -0.691 119.711 120.400 0.003 0.000 2.211 168 K HA 0.030 4.350 4.320 -0.000 0.000 0.201 168 K C 2.013 178.615 176.600 0.003 0.000 1.052 168 K CA 0.752 57.041 56.287 0.003 0.000 0.973 168 K CB 0.488 32.990 32.500 0.003 0.000 0.766 168 K HN 0.141 nan 8.250 nan 0.000 0.466 169 V N -2.306 117.609 119.914 0.003 0.000 2.788 169 V HA 0.259 4.379 4.120 -0.000 0.000 0.251 169 V C 0.988 177.082 176.094 0.000 0.000 1.068 169 V CA 0.656 62.957 62.300 0.002 0.000 1.090 169 V CB -0.842 30.982 31.823 0.002 0.000 0.710 169 V HN 0.364 nan 8.190 nan 0.000 0.467 170 G N 0.390 109.190 108.800 -0.000 0.000 2.582 170 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.222 170 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.222 170 G C 0.111 175.010 174.900 -0.003 0.000 1.311 170 G CA 0.163 45.262 45.100 -0.002 0.000 0.915 170 G HN 0.319 nan 8.290 nan 0.000 0.528 171 K N -0.018 120.379 120.400 -0.005 0.000 2.186 171 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 171 K C 1.735 178.329 176.600 -0.010 0.000 1.052 171 K CA 1.093 57.376 56.287 -0.007 0.000 0.965 171 K CB 0.045 32.541 32.500 -0.006 0.000 0.746 171 K HN 0.351 nan 8.250 nan 0.000 0.457 172 E N 0.656 120.851 120.200 -0.009 0.000 2.494 172 E HA 0.035 4.384 4.350 -0.000 0.000 0.193 172 E C 0.392 176.984 176.600 -0.012 0.000 1.074 172 E CA 0.156 56.549 56.400 -0.012 0.000 0.867 172 E CB 0.362 30.055 29.700 -0.012 0.000 0.924 172 E HN 0.245 nan 8.360 nan 0.000 0.502 173 G N 0.037 108.831 108.800 -0.010 0.000 2.432 173 G HA2 0.460 4.420 3.960 -0.000 0.000 0.331 173 G HA3 0.460 4.420 3.960 -0.000 0.000 0.331 173 G C -0.401 174.494 174.900 -0.009 0.000 1.170 173 G CA -0.484 44.611 45.100 -0.008 0.000 0.943 173 G HN -0.061 nan 8.290 nan 0.000 0.483 174 V N 1.044 120.954 119.914 -0.006 0.000 2.617 174 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 174 V C -0.081 176.014 176.094 0.002 0.000 1.048 174 V CA -0.489 61.808 62.300 -0.005 0.000 0.964 174 V CB 1.406 33.226 31.823 -0.005 0.000 1.004 174 V HN 0.566 nan 8.190 nan 0.000 0.466 175 I N 3.156 123.729 120.570 0.005 0.000 2.478 175 I HA 0.455 4.625 4.170 -0.000 0.000 0.287 175 I C 0.062 176.192 176.117 0.022 0.000 1.042 175 I CA -0.202 61.106 61.300 0.013 0.000 1.067 175 I CB 2.305 40.314 38.000 0.015 0.000 1.233 175 I HN 0.753 nan 8.210 nan 0.000 0.431 176 T N 2.875 117.444 114.554 0.025 0.000 2.925 176 T HA 0.669 5.019 4.350 -0.000 0.000 0.285 176 T C -0.508 174.212 174.700 0.033 0.000 1.021 176 T CA -0.876 61.244 62.100 0.033 0.000 1.042 176 T CB 2.444 71.331 68.868 0.030 0.000 1.037 176 T HN 0.309 nan 8.240 nan 0.000 0.481 177 V N 1.915 121.853 119.914 0.039 0.000 2.495 177 V HA 0.780 4.900 4.120 -0.000 0.000 0.298 177 V C -1.339 174.771 176.094 0.027 0.000 1.031 177 V CA -0.493 61.826 62.300 0.032 0.000 0.871 177 V CB 1.091 32.935 31.823 0.035 0.000 0.988 177 V HN 1.168 nan 8.190 nan 0.000 0.432 178 E N 3.404 123.617 120.200 0.020 0.000 2.445 178 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 178 E C -1.793 174.815 176.600 0.013 0.000 1.018 178 E CA -1.029 55.381 56.400 0.018 0.000 0.816 178 E CB 0.725 30.436 29.700 0.018 0.000 1.356 178 E HN 0.496 nan 8.360 nan 0.000 0.462 179 D N 0.902 121.309 120.400 0.011 0.000 2.487 179 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 179 D C 0.300 176.604 176.300 0.007 0.000 1.154 179 D CA 0.604 54.610 54.000 0.009 0.000 0.876 179 D CB 0.786 41.591 40.800 0.008 0.000 1.161 179 D HN 0.557 nan 8.370 nan 0.000 0.478 180 G N 0.458 109.261 108.800 0.006 0.000 2.547 180 G HA2 0.361 4.321 3.960 -0.000 0.000 0.291 180 G HA3 0.361 4.321 3.960 -0.000 0.000 0.291 180 G C 1.041 175.943 174.900 0.003 0.000 1.211 180 G CA -0.103 44.999 45.100 0.004 0.000 0.950 180 G HN 0.436 nan 8.290 nan 0.000 0.504 181 T N -2.205 112.350 114.554 0.002 0.000 3.004 181 T HA 0.275 4.625 4.350 -0.000 0.000 0.243 181 T C 1.581 176.282 174.700 0.001 0.000 1.020 181 T CA 0.877 62.978 62.100 0.002 0.000 1.145 181 T CB -0.448 68.420 68.868 0.001 0.000 0.876 181 T HN 0.745 nan 8.240 nan 0.000 0.449 182 G N 0.920 109.720 108.800 0.001 0.000 2.489 182 G HA2 0.458 4.418 3.960 -0.000 0.000 0.271 182 G HA3 0.458 4.418 3.960 -0.000 0.000 0.271 182 G C 0.620 175.520 174.900 0.001 0.000 1.427 182 G CA -0.512 44.589 45.100 0.001 0.000 1.057 182 G HN 0.312 nan 8.290 nan 0.000 0.532 183 L N -0.713 120.511 121.223 0.000 0.000 2.307 183 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 183 L C 0.681 177.551 176.870 0.000 0.000 1.099 183 L CA 0.711 55.551 54.840 0.000 0.000 0.816 183 L CB -0.305 41.754 42.059 -0.001 0.000 0.952 183 L HN 0.520 nan 8.230 nan 0.000 0.455 184 Q N -0.380 119.420 119.800 0.000 0.000 2.226 184 Q HA 0.299 4.639 4.340 -0.000 0.000 0.256 184 Q C -0.664 175.337 176.000 0.002 0.000 0.962 184 Q CA -0.692 55.112 55.803 0.001 0.000 0.887 184 Q CB 0.555 29.294 28.738 0.000 0.000 1.282 184 Q HN 0.014 nan 8.270 nan 0.000 0.449 185 D N 1.098 121.500 120.400 0.002 0.000 2.399 185 D HA 0.110 4.750 4.640 -0.000 0.000 0.241 185 D C -0.464 175.838 176.300 0.003 0.000 1.133 185 D CA 0.168 54.170 54.000 0.003 0.000 0.890 185 D CB 1.031 41.833 40.800 0.004 0.000 1.201 185 D HN 0.630 nan 8.370 nan 0.000 0.432 186 E N 0.991 121.193 120.200 0.004 0.000 2.321 186 E HA 0.327 4.677 4.350 -0.000 0.000 0.278 186 E C -1.928 174.675 176.600 0.005 0.000 0.902 186 E CA -0.822 55.580 56.400 0.004 0.000 0.758 186 E CB 1.991 31.692 29.700 0.003 0.000 1.213 186 E HN 0.194 nan 8.360 nan 0.000 0.426 187 L N 4.101 125.327 121.223 0.005 0.000 2.287 187 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 187 L C -1.260 175.613 176.870 0.005 0.000 1.022 187 L CA -0.183 54.660 54.840 0.006 0.000 0.814 187 L CB 1.298 43.361 42.059 0.006 0.000 1.217 187 L HN 0.439 nan 8.230 nan 0.000 0.420 188 D N 4.364 124.767 120.400 0.005 0.000 2.217 188 D HA 0.462 5.102 4.640 -0.000 0.000 0.243 188 D C -0.941 175.362 176.300 0.005 0.000 1.054 188 D CA -0.077 53.925 54.000 0.004 0.000 0.838 188 D CB 2.563 43.364 40.800 0.003 0.000 1.162 188 D HN 0.281 nan 8.370 nan 0.000 0.472 189 V N 2.297 122.213 119.914 0.004 0.000 2.540 189 V HA 0.316 4.436 4.120 -0.000 0.000 0.302 189 V C -0.063 176.033 176.094 0.004 0.000 1.035 189 V CA -0.807 61.496 62.300 0.005 0.000 0.873 189 V CB 2.236 34.062 31.823 0.004 0.000 0.992 189 V HN 0.270 nan 8.190 nan 0.000 0.428 190 V N 3.816 123.733 119.914 0.006 0.000 2.398 190 V HA 0.471 4.591 4.120 -0.000 0.000 0.286 190 V C 0.000 176.100 176.094 0.009 0.000 1.026 190 V CA -0.806 61.498 62.300 0.007 0.000 0.868 190 V CB 1.545 33.373 31.823 0.008 0.000 0.982 190 V HN 0.783 nan 8.190 nan 0.000 0.443 191 E N 2.859 123.064 120.200 0.008 0.000 2.283 191 E HA 0.529 4.879 4.350 -0.000 0.000 0.278 191 E C 0.867 177.475 176.600 0.015 0.000 1.027 191 E CA 0.903 57.309 56.400 0.009 0.000 0.843 191 E CB 1.624 31.327 29.700 0.006 0.000 1.062 191 E HN 1.000 nan 8.360 nan 0.000 0.401 192 G N 2.804 111.612 108.800 0.015 0.000 2.550 192 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.277 192 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.277 192 G C -0.080 174.839 174.900 0.031 0.000 1.190 192 G CA 0.402 45.514 45.100 0.020 0.000 0.971 192 G HN 0.569 nan 8.290 nan 0.000 0.559 193 M N 0.756 120.385 119.600 0.048 0.000 2.294 193 M HA 0.751 5.231 4.480 -0.000 0.000 0.335 193 M C -0.457 175.925 176.300 0.136 0.000 1.079 193 M CA -0.478 54.869 55.300 0.078 0.000 0.982 193 M CB 1.644 34.285 32.600 0.068 0.000 1.651 193 M HN 0.896 nan 8.290 nan 0.000 0.437 194 Q N 4.257 124.159 119.800 0.169 0.000 2.418 194 Q HA 0.665 5.005 4.340 -0.000 0.000 0.282 194 Q C -2.137 174.046 176.000 0.305 0.000 1.044 194 Q CA -0.767 55.152 55.803 0.192 0.000 0.813 194 Q CB 2.284 31.051 28.738 0.048 0.000 1.428 194 Q HN 0.801 nan 8.270 nan 0.000 0.402 195 F N -0.983 118.959 119.950 -0.013 0.000 2.685 195 F HA 0.488 5.015 4.527 -0.000 0.000 0.315 195 F C -1.002 174.789 175.800 -0.015 0.000 1.126 195 F CA -1.378 56.616 58.000 -0.010 0.000 0.950 195 F CB 0.728 39.724 39.000 -0.007 0.000 1.360 195 F HN 0.403 nan 8.300 nan 0.000 0.469 196 D N 1.419 121.877 120.400 0.098 0.000 3.032 196 D HA 0.264 4.904 4.640 -0.000 0.000 0.241 196 D C -0.516 175.757 176.300 -0.044 0.000 1.196 196 D CA 0.043 54.038 54.000 -0.008 0.000 0.927 196 D CB -0.124 40.705 40.800 0.048 0.000 1.129 196 D HN 0.218 nan 8.370 nan 0.000 0.458 197 R N 0.419 120.800 120.500 -0.198 0.000 2.604 197 R HA 0.695 5.035 4.340 -0.000 0.000 0.281 197 R C 0.134 176.273 176.300 -0.269 0.000 1.020 197 R CA -0.816 55.190 56.100 -0.158 0.000 0.899 197 R CB 1.891 32.187 30.300 -0.006 0.000 1.205 197 R HN 0.236 nan 8.270 nan 0.000 0.450 198 G N 0.754 109.413 108.800 -0.234 0.000 2.667 198 G HA2 0.499 4.459 3.960 -0.000 0.000 0.310 198 G HA3 0.499 4.459 3.960 -0.000 0.000 0.310 198 G C -0.711 174.052 174.900 -0.229 0.000 1.259 198 G CA -0.656 44.231 45.100 -0.355 0.000 1.019 198 G HN 0.428 nan 8.290 nan 0.000 0.496 199 Y N -1.253 119.056 120.300 0.015 0.000 2.757 199 Y HA 0.257 4.807 4.550 -0.000 0.000 0.344 199 Y C 1.014 177.020 175.900 0.177 0.000 1.263 199 Y CA -0.706 57.459 58.100 0.108 0.000 1.493 199 Y CB 0.280 38.889 38.460 0.249 0.000 1.342 199 Y HN 0.177 nan 8.280 nan 0.000 0.627 200 L N 1.742 123.301 121.223 0.560 0.000 2.640 200 L HA 0.222 4.562 4.340 -0.000 0.000 0.230 200 L C 0.188 177.281 176.870 0.372 0.000 1.123 200 L CA 0.491 55.573 54.840 0.403 0.000 0.900 200 L CB -0.152 42.096 42.059 0.315 0.000 1.146 200 L HN 0.800 nan 8.230 nan 0.000 0.484 201 S N -2.229 113.717 115.700 0.411 0.000 2.626 201 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 201 S C -2.572 171.894 174.600 -0.223 0.000 1.175 201 S CA -0.942 57.282 58.200 0.040 0.000 0.982 201 S CB 1.755 64.876 63.200 -0.132 0.000 1.093 201 S HN -0.237 nan 8.310 nan 0.000 0.472 202 P HA -0.029 nan 4.420 nan 0.000 0.231 202 P C 0.079 176.960 177.300 -0.697 0.000 1.154 202 P CA 0.879 63.525 63.100 -0.757 0.000 0.762 202 P CB -0.360 31.027 31.700 -0.522 0.000 0.790 203 Y N -2.829 117.219 120.300 -0.420 0.000 2.347 203 Y HA 0.036 4.586 4.550 -0.000 0.000 0.294 203 Y C 1.997 177.737 175.900 -0.266 0.000 1.117 203 Y CA 0.460 58.357 58.100 -0.339 0.000 1.184 203 Y CB -1.085 37.157 38.460 -0.363 0.000 1.047 203 Y HN -0.144 nan 8.280 nan 0.000 0.546 204 F N 0.685 120.628 119.950 -0.011 0.000 2.135 204 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 204 F C 1.014 176.787 175.800 -0.044 0.000 1.074 204 F CA 0.472 58.463 58.000 -0.015 0.000 1.262 204 F CB -1.404 37.593 39.000 -0.005 0.000 1.013 204 F HN -0.130 nan 8.300 nan 0.000 0.489 205 I N 2.420 123.012 120.570 0.036 0.000 2.978 205 I HA -0.228 3.942 4.170 -0.000 0.000 0.293 205 I C 1.075 177.210 176.117 0.030 0.000 1.218 205 I CA 0.590 61.887 61.300 -0.005 0.000 1.393 205 I CB -0.151 37.778 38.000 -0.119 0.000 1.394 205 I HN 0.249 nan 8.210 nan 0.000 0.541 206 N N 5.260 123.991 118.700 0.051 0.000 2.299 206 N HA 0.017 4.757 4.740 -0.000 0.000 0.187 206 N C 0.034 175.561 175.510 0.029 0.000 1.099 206 N CA 0.110 53.185 53.050 0.043 0.000 0.867 206 N CB 0.395 38.912 38.487 0.050 0.000 0.974 206 N HN 0.479 nan 8.380 nan 0.000 0.477 207 K N 0.657 121.072 120.400 0.026 0.000 2.701 207 K HA 0.256 4.576 4.320 -0.000 0.000 0.212 207 K C -2.157 174.452 176.600 0.015 0.000 1.035 207 K CA -1.849 54.450 56.287 0.020 0.000 1.048 207 K CB 2.096 34.609 32.500 0.022 0.000 1.234 207 K HN -0.035 nan 8.250 nan 0.000 0.540 208 P HA -0.169 nan 4.420 nan 0.000 0.228 208 P C 0.068 177.371 177.300 0.005 0.000 1.151 208 P CA 1.099 64.198 63.100 -0.002 0.000 0.770 208 P CB 0.464 32.158 31.700 -0.009 0.000 0.786 209 E N -0.335 119.870 120.200 0.009 0.000 2.107 209 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 209 E C 1.858 178.466 176.600 0.014 0.000 0.982 209 E CA 1.464 57.870 56.400 0.010 0.000 0.809 209 E CB -1.354 28.351 29.700 0.008 0.000 0.756 209 E HN 0.225 nan 8.360 nan 0.000 0.459 210 T N -0.889 113.678 114.554 0.021 0.000 3.043 210 T HA 0.153 4.502 4.350 -0.000 0.000 0.263 210 T C 1.471 176.196 174.700 0.042 0.000 1.094 210 T CA 0.681 62.797 62.100 0.027 0.000 1.127 210 T CB -0.051 68.834 68.868 0.028 0.000 0.905 210 T HN 0.417 nan 8.240 nan 0.000 0.490 211 G N 1.446 110.274 108.800 0.046 0.000 2.160 211 G HA2 0.005 3.965 3.960 -0.000 0.000 0.251 211 G HA3 0.005 3.965 3.960 -0.000 0.000 0.251 211 G C 0.071 175.062 174.900 0.152 0.000 1.008 211 G CA 0.079 45.222 45.100 0.072 0.000 0.724 211 G HN 0.960 nan 8.290 nan 0.000 0.514 212 A N -1.355 121.537 122.820 0.120 0.000 2.479 212 A HA 0.916 5.235 4.320 -0.000 0.000 0.296 212 A C -0.302 177.352 177.584 0.116 0.000 1.121 212 A CA -0.177 51.958 52.037 0.163 0.000 0.743 212 A CB 2.033 21.090 19.000 0.095 0.000 1.323 212 A HN 1.268 nan 8.150 nan 0.000 0.415 213 V N 0.852 120.849 119.914 0.139 0.000 2.472 213 V HA 0.553 4.673 4.120 -0.000 0.000 0.290 213 V C 0.022 176.149 176.094 0.055 0.000 1.037 213 V CA -0.410 61.949 62.300 0.098 0.000 0.908 213 V CB 1.333 33.230 31.823 0.123 0.000 0.985 213 V HN 0.905 nan 8.190 nan 0.000 0.454 214 E N 4.219 124.443 120.200 0.040 0.000 2.218 214 E HA 0.659 5.009 4.350 -0.000 0.000 0.263 214 E C -1.787 174.823 176.600 0.017 0.000 0.879 214 E CA -0.550 55.863 56.400 0.022 0.000 0.762 214 E CB 1.608 31.320 29.700 0.020 0.000 1.166 214 E HN 0.640 nan 8.360 nan 0.000 0.415 215 L N 3.193 124.420 121.223 0.006 0.000 2.381 215 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 215 L C -0.589 176.273 176.870 -0.013 0.000 0.997 215 L CA -0.848 53.992 54.840 0.000 0.000 0.818 215 L CB 2.177 44.236 42.059 -0.001 0.000 1.310 215 L HN 0.475 nan 8.230 nan 0.000 0.416 216 E N 1.082 121.269 120.200 -0.021 0.000 2.199 216 E HA 0.389 4.739 4.350 -0.000 0.000 0.265 216 E C -0.486 176.076 176.600 -0.064 0.000 0.882 216 E CA -0.661 55.718 56.400 -0.034 0.000 0.759 216 E CB 1.795 31.481 29.700 -0.024 0.000 1.148 216 E HN 0.612 nan 8.360 nan 0.000 0.412 217 S N 1.148 116.798 115.700 -0.085 0.000 3.682 217 S HA -0.125 4.345 4.470 -0.000 0.000 0.354 217 S C -2.278 172.179 174.600 -0.238 0.000 1.034 217 S CA 0.411 58.525 58.200 -0.144 0.000 1.084 217 S CB -1.547 61.570 63.200 -0.137 0.000 0.903 217 S HN 0.470 nan 8.310 nan 0.000 0.470 218 P HA 0.613 nan 4.420 nan 0.000 0.282 218 P C 0.070 177.228 177.300 -0.236 0.000 1.259 218 P CA -0.706 62.286 63.100 -0.179 0.000 0.826 218 P CB 0.461 32.131 31.700 -0.049 0.000 1.064 219 F N 0.502 120.456 119.950 0.007 0.000 2.378 219 F HA 0.407 4.934 4.527 -0.000 0.000 0.319 219 F C 0.889 176.692 175.800 0.005 0.000 1.155 219 F CA 0.027 58.030 58.000 0.006 0.000 1.157 219 F CB 0.308 39.312 39.000 0.006 0.000 1.252 219 F HN 0.047 nan 8.300 nan 0.000 0.550 220 I N 2.845 123.555 120.570 0.233 0.000 2.468 220 I HA 0.252 4.422 4.170 -0.000 0.000 0.285 220 I C -1.320 174.852 176.117 0.091 0.000 1.039 220 I CA -0.675 60.699 61.300 0.123 0.000 1.074 220 I CB 1.803 39.852 38.000 0.083 0.000 1.228 220 I HN 0.279 nan 8.210 nan 0.000 0.436 221 L N 7.902 129.164 121.223 0.065 0.000 2.275 221 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 221 L C -0.998 175.889 176.870 0.029 0.000 1.046 221 L CA 0.062 54.925 54.840 0.038 0.000 0.805 221 L CB 0.800 42.876 42.059 0.028 0.000 1.193 221 L HN 0.491 nan 8.230 nan 0.000 0.426 222 L N 6.740 127.974 121.223 0.018 0.000 2.371 222 L HA 0.550 4.890 4.340 -0.000 0.000 0.262 222 L C 0.059 176.932 176.870 0.005 0.000 1.054 222 L CA -0.486 54.359 54.840 0.008 0.000 0.924 222 L CB 0.869 42.927 42.059 -0.003 0.000 1.295 222 L HN 0.810 nan 8.230 nan 0.000 0.441 223 A N 1.342 124.169 122.820 0.012 0.000 2.294 223 A HA 0.253 4.573 4.320 -0.000 0.000 0.316 223 A C -0.190 177.402 177.584 0.012 0.000 1.359 223 A CA -0.417 51.627 52.037 0.012 0.000 0.956 223 A CB 0.175 19.187 19.000 0.019 0.000 1.155 223 A HN 0.620 nan 8.150 nan 0.000 0.544 224 D N 2.870 123.274 120.400 0.006 0.000 2.517 224 D HA 0.427 5.066 4.640 -0.000 0.000 0.220 224 D C -0.081 176.226 176.300 0.012 0.000 1.158 224 D CA 0.356 54.360 54.000 0.006 0.000 0.992 224 D CB -0.468 40.331 40.800 -0.002 0.000 1.058 224 D HN 0.666 nan 8.370 nan 0.000 0.516 225 K N 0.076 120.488 120.400 0.020 0.000 3.245 225 K HA 0.124 4.444 4.320 -0.000 0.000 0.350 225 K C -1.235 175.382 176.600 0.030 0.000 1.129 225 K CA -1.139 55.162 56.287 0.023 0.000 0.883 225 K CB 0.268 32.779 32.500 0.018 0.000 1.411 225 K HN -0.124 nan 8.250 nan 0.000 0.412 226 K N 0.921 121.340 120.400 0.032 0.000 2.258 226 K HA 0.331 4.651 4.320 -0.000 0.000 0.264 226 K C -0.318 176.303 176.600 0.034 0.000 1.007 226 K CA -0.225 56.083 56.287 0.036 0.000 0.941 226 K CB 0.423 32.944 32.500 0.035 0.000 0.966 226 K HN 0.403 nan 8.250 nan 0.000 0.480 227 I N 2.124 122.718 120.570 0.040 0.000 2.437 227 I HA 0.043 4.213 4.170 -0.000 0.000 0.279 227 I C 0.275 176.417 176.117 0.040 0.000 1.028 227 I CA -0.048 61.276 61.300 0.039 0.000 1.142 227 I CB 1.667 39.694 38.000 0.045 0.000 1.266 227 I HN 0.627 nan 8.210 nan 0.000 0.461 228 S N 3.090 118.810 115.700 0.033 0.000 2.566 228 S HA 0.176 4.646 4.470 -0.000 0.000 0.234 228 S C 0.784 175.400 174.600 0.026 0.000 1.075 228 S CA 0.054 58.272 58.200 0.030 0.000 0.926 228 S CB 0.221 63.436 63.200 0.025 0.000 0.811 228 S HN 0.554 nan 8.310 nan 0.000 0.518 229 N N 2.614 121.328 118.700 0.023 0.000 2.469 229 N HA 0.260 5.000 4.740 -0.000 0.000 0.239 229 N C 0.643 176.165 175.510 0.020 0.000 1.053 229 N CA -0.052 53.009 53.050 0.019 0.000 0.937 229 N CB 0.945 39.440 38.487 0.015 0.000 1.163 229 N HN 0.218 nan 8.380 nan 0.000 0.509 230 I N 3.211 123.793 120.570 0.020 0.000 2.300 230 I HA -0.351 3.819 4.170 -0.000 0.000 0.252 230 I C 1.718 177.844 176.117 0.015 0.000 1.119 230 I CA 1.431 62.743 61.300 0.021 0.000 1.384 230 I CB 0.229 38.240 38.000 0.020 0.000 1.062 230 I HN 0.460 nan 8.210 nan 0.000 0.426 231 R N 0.846 121.353 120.500 0.012 0.000 2.140 231 R HA -0.248 4.092 4.340 -0.000 0.000 0.250 231 R C 1.819 178.123 176.300 0.007 0.000 1.150 231 R CA 2.052 58.156 56.100 0.008 0.000 0.966 231 R CB -0.768 29.536 30.300 0.007 0.000 0.869 231 R HN 0.557 nan 8.270 nan 0.000 0.445 232 E N 0.076 120.282 120.200 0.009 0.000 2.338 232 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 232 E C 1.781 178.385 176.600 0.007 0.000 1.007 232 E CA 0.692 57.096 56.400 0.008 0.000 0.849 232 E CB 0.049 29.755 29.700 0.011 0.000 0.774 232 E HN 0.306 nan 8.360 nan 0.000 0.506 233 M N -0.028 119.579 119.600 0.011 0.000 2.429 233 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 233 M C 2.253 178.555 176.300 0.004 0.000 1.120 233 M CA 0.757 56.064 55.300 0.011 0.000 1.173 233 M CB -0.829 31.784 32.600 0.021 0.000 1.343 233 M HN 0.115 nan 8.290 nan 0.000 0.464 234 L N 0.874 122.100 121.223 0.005 0.000 2.026 234 L HA -0.292 4.048 4.340 -0.000 0.000 0.231 234 L C -0.315 176.552 176.870 -0.005 0.000 1.095 234 L CA 2.230 57.072 54.840 0.002 0.000 0.810 234 L CB -2.703 39.357 42.059 0.002 0.000 0.909 234 L HN 0.169 nan 8.230 nan 0.000 0.444 235 P HA -0.176 nan 4.420 nan 0.000 0.216 235 P C 1.853 179.137 177.300 -0.027 0.000 1.157 235 P CA 1.827 64.918 63.100 -0.016 0.000 0.880 235 P CB -0.078 31.612 31.700 -0.016 0.000 0.791 236 V N 0.314 120.211 119.914 -0.028 0.000 2.283 236 V HA -0.180 3.940 4.120 -0.000 0.000 0.243 236 V C 2.839 178.908 176.094 -0.042 0.000 1.039 236 V CA 1.374 63.646 62.300 -0.046 0.000 1.016 236 V CB -1.368 30.431 31.823 -0.040 0.000 0.650 236 V HN -0.010 nan 8.190 nan 0.000 0.449 237 L N -0.016 121.197 121.223 -0.017 0.000 2.270 237 L HA -0.244 4.096 4.340 -0.000 0.000 0.217 237 L C 2.494 179.362 176.870 -0.004 0.000 1.107 237 L CA 1.625 56.464 54.840 -0.001 0.000 0.772 237 L CB -0.491 41.576 42.059 0.013 0.000 0.902 237 L HN 0.514 nan 8.230 nan 0.000 0.439 238 E N -0.600 119.592 120.200 -0.014 0.000 2.216 238 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 238 E C 2.288 178.875 176.600 -0.022 0.000 0.973 238 E CA 0.727 57.120 56.400 -0.011 0.000 0.851 238 E CB -0.014 29.680 29.700 -0.010 0.000 0.804 238 E HN 0.447 nan 8.360 nan 0.000 0.477 239 A N 1.375 124.169 122.820 -0.044 0.000 2.019 239 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 239 A C 2.413 179.949 177.584 -0.080 0.000 1.164 239 A CA 0.931 52.927 52.037 -0.068 0.000 0.644 239 A CB -0.450 18.490 19.000 -0.100 0.000 0.805 239 A HN 0.099 nan 8.150 nan 0.000 0.449 240 V N -0.605 119.266 119.914 -0.073 0.000 2.667 240 V HA -0.099 4.021 4.120 -0.000 0.000 0.252 240 V C 2.648 178.769 176.094 0.044 0.000 1.065 240 V CA 1.455 63.740 62.300 -0.024 0.000 1.083 240 V CB -0.980 30.846 31.823 0.005 0.000 0.692 240 V HN 0.550 nan 8.190 nan 0.000 0.468 241 A N -0.853 121.982 122.820 0.025 0.000 2.238 241 A HA 0.021 4.341 4.320 -0.000 0.000 0.208 241 A C 2.169 179.771 177.584 0.030 0.000 1.177 241 A CA 0.772 52.828 52.037 0.032 0.000 0.804 241 A CB -0.215 18.799 19.000 0.022 0.000 0.823 241 A HN 0.501 nan 8.150 nan 0.000 0.482 242 K N -1.161 119.254 120.400 0.026 0.000 2.350 242 K HA 0.242 4.562 4.320 -0.000 0.000 0.196 242 K C 1.865 178.495 176.600 0.050 0.000 1.084 242 K CA 0.712 57.015 56.287 0.027 0.000 0.967 242 K CB 0.212 32.718 32.500 0.010 0.000 0.950 242 K HN 0.344 nan 8.250 nan 0.000 0.512 243 A N 0.599 123.467 122.820 0.079 0.000 2.169 243 A HA 0.148 4.468 4.320 -0.000 0.000 0.212 243 A C 1.402 179.072 177.584 0.144 0.000 1.153 243 A CA 0.987 53.112 52.037 0.147 0.000 0.756 243 A CB -0.409 18.760 19.000 0.283 0.000 0.813 243 A HN 0.391 nan 8.150 nan 0.000 0.471 244 G N -0.703 108.165 108.800 0.113 0.000 2.168 244 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 244 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 244 G C 0.210 175.161 174.900 0.085 0.000 0.997 244 G CA 1.005 46.155 45.100 0.083 0.000 0.708 244 G HN 0.606 nan 8.290 nan 0.000 0.520 245 K N 0.867 121.350 120.400 0.139 0.000 2.156 245 K HA 0.542 4.862 4.320 -0.000 0.000 0.254 245 K C -1.906 174.768 176.600 0.124 0.000 0.950 245 K CA -2.040 54.298 56.287 0.084 0.000 0.849 245 K CB 1.929 34.407 32.500 -0.035 0.000 1.100 245 K HN 0.026 nan 8.250 nan 0.000 0.434 246 P HA 0.062 nan 4.420 nan 0.000 0.272 246 P C -1.210 176.159 177.300 0.117 0.000 1.254 246 P CA -0.446 62.698 63.100 0.074 0.000 0.795 246 P CB 0.492 32.213 31.700 0.035 0.000 1.022 247 L N 0.168 121.449 121.223 0.097 0.000 2.493 247 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 247 L C -1.747 175.152 176.870 0.048 0.000 0.954 247 L CA -1.081 53.826 54.840 0.112 0.000 0.844 247 L CB 1.630 43.765 42.059 0.127 0.000 1.302 247 L HN 0.133 nan 8.230 nan 0.000 0.405 248 L N 5.921 127.172 121.223 0.047 0.000 2.282 248 L HA 0.627 4.967 4.340 -0.000 0.000 0.288 248 L C -1.114 175.767 176.870 0.019 0.000 1.033 248 L CA -0.192 54.652 54.840 0.007 0.000 0.807 248 L CB 1.117 43.188 42.059 0.020 0.000 1.209 248 L HN 0.469 nan 8.230 nan 0.000 0.423 249 I N 7.333 127.896 120.570 -0.012 0.000 2.330 249 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 249 I C -0.182 175.948 176.117 0.021 0.000 1.025 249 I CA -0.226 61.080 61.300 0.011 0.000 1.197 249 I CB 0.822 38.828 38.000 0.011 0.000 1.358 249 I HN 0.550 nan 8.210 nan 0.000 0.467 250 I N 5.934 126.529 120.570 0.042 0.000 2.310 250 I HA 0.444 4.614 4.170 -0.000 0.000 0.287 250 I C 0.611 176.754 176.117 0.043 0.000 1.073 250 I CA -0.072 61.264 61.300 0.061 0.000 1.216 250 I CB 0.920 38.964 38.000 0.074 0.000 1.415 250 I HN 0.609 nan 8.210 nan 0.000 0.480 251 A N 4.407 127.257 122.820 0.050 0.000 2.288 251 A HA 0.399 4.719 4.320 -0.000 0.000 0.328 251 A C 1.168 178.783 177.584 0.052 0.000 1.123 251 A CA -0.544 51.519 52.037 0.044 0.000 0.861 251 A CB 0.983 20.011 19.000 0.046 0.000 1.272 251 A HN 0.748 nan 8.150 nan 0.000 0.490 252 E N -0.536 119.691 120.200 0.045 0.000 2.130 252 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 252 E C -0.334 176.303 176.600 0.061 0.000 0.998 252 E CA 1.785 58.216 56.400 0.052 0.000 0.806 252 E CB 0.113 29.840 29.700 0.045 0.000 0.738 252 E HN 0.649 nan 8.360 nan 0.000 0.459 253 D N -2.249 118.187 120.400 0.059 0.000 2.720 253 D HA 0.138 4.778 4.640 -0.000 0.000 0.239 253 D C -1.940 174.401 176.300 0.068 0.000 1.218 253 D CA -0.518 53.522 54.000 0.066 0.000 0.748 253 D CB 1.979 42.815 40.800 0.060 0.000 1.387 253 D HN -0.127 nan 8.370 nan 0.000 0.438 254 V N 2.655 122.619 119.914 0.084 0.000 2.305 254 V HA 0.402 4.522 4.120 -0.000 0.000 0.275 254 V C 0.477 176.626 176.094 0.092 0.000 1.020 254 V CA -0.667 61.688 62.300 0.091 0.000 0.811 254 V CB 0.947 32.841 31.823 0.119 0.000 1.031 254 V HN 0.429 nan 8.190 nan 0.000 0.439 255 E N 2.423 122.665 120.200 0.070 0.000 2.855 255 E HA 0.358 4.708 4.350 -0.000 0.000 0.259 255 E C 1.584 178.218 176.600 0.057 0.000 1.390 255 E CA 0.167 56.602 56.400 0.060 0.000 1.069 255 E CB 0.525 30.252 29.700 0.046 0.000 1.172 255 E HN 0.599 nan 8.360 nan 0.000 0.668 256 G N 0.770 109.597 108.800 0.045 0.000 2.839 256 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.221 256 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.221 256 G C 1.287 176.205 174.900 0.032 0.000 1.271 256 G CA 1.282 46.403 45.100 0.036 0.000 0.789 256 G HN 0.546 nan 8.290 nan 0.000 0.659 257 E N 0.802 121.018 120.200 0.027 0.000 2.019 257 E HA -0.222 4.128 4.350 -0.000 0.000 0.208 257 E C 3.023 179.640 176.600 0.028 0.000 1.030 257 E CA 1.691 58.105 56.400 0.022 0.000 0.856 257 E CB -0.771 28.941 29.700 0.020 0.000 0.781 257 E HN 0.304 nan 8.360 nan 0.000 0.471 258 A N 1.212 124.055 122.820 0.037 0.000 1.865 258 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 258 A C 2.332 179.954 177.584 0.064 0.000 1.191 258 A CA 1.818 53.883 52.037 0.047 0.000 0.623 258 A CB -0.983 18.049 19.000 0.052 0.000 0.826 258 A HN 0.343 nan 8.150 nan 0.000 0.444 259 L N -0.140 121.131 121.223 0.080 0.000 1.951 259 L HA -0.232 4.108 4.340 -0.000 0.000 0.222 259 L C 2.797 179.699 176.870 0.053 0.000 1.078 259 L CA 2.741 57.645 54.840 0.107 0.000 0.778 259 L CB -1.154 40.972 42.059 0.111 0.000 0.893 259 L HN 0.439 nan 8.230 nan 0.000 0.436 260 A N -1.812 121.021 122.820 0.021 0.000 1.929 260 A HA -0.361 3.959 4.320 -0.000 0.000 0.221 260 A C 2.233 179.800 177.584 -0.029 0.000 1.211 260 A CA 3.125 55.151 52.037 -0.020 0.000 0.657 260 A CB -1.545 17.446 19.000 -0.014 0.000 0.827 260 A HN 0.651 nan 8.150 nan 0.000 0.462 261 T N 0.165 114.719 114.554 0.000 0.000 2.614 261 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 261 T C 1.860 176.568 174.700 0.015 0.000 1.055 261 T CA 1.368 63.469 62.100 0.002 0.000 1.162 261 T CB -0.541 68.336 68.868 0.016 0.000 0.863 261 T HN 0.354 nan 8.240 nan 0.000 0.414 262 L N 0.913 122.170 121.223 0.057 0.000 2.010 262 L HA -0.224 4.116 4.340 -0.000 0.000 0.219 262 L C 2.693 179.610 176.870 0.079 0.000 1.077 262 L CA 1.351 56.257 54.840 0.110 0.000 0.773 262 L CB -0.938 41.248 42.059 0.211 0.000 0.892 262 L HN 0.163 nan 8.230 nan 0.000 0.436 263 V N -0.706 119.203 119.914 -0.008 0.000 2.220 263 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 263 V C 2.382 178.395 176.094 -0.134 0.000 1.056 263 V CA 2.159 64.361 62.300 -0.165 0.000 1.016 263 V CB -0.733 30.938 31.823 -0.253 0.000 0.639 263 V HN 0.265 nan 8.190 nan 0.000 0.446 264 V N 0.687 120.533 119.914 -0.114 0.000 2.317 264 V HA -0.338 3.782 4.120 -0.000 0.000 0.251 264 V C 2.186 178.246 176.094 -0.056 0.000 1.065 264 V CA 2.512 64.752 62.300 -0.099 0.000 1.049 264 V CB -1.055 30.725 31.823 -0.072 0.000 0.651 264 V HN 0.620 nan 8.190 nan 0.000 0.450 265 N N 0.441 119.129 118.700 -0.020 0.000 2.109 265 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 265 N C 2.056 177.577 175.510 0.019 0.000 1.034 265 N CA 2.063 55.117 53.050 0.006 0.000 0.846 265 N CB -0.347 38.156 38.487 0.028 0.000 1.010 265 N HN 0.688 nan 8.380 nan 0.000 0.425 266 T N 0.049 114.630 114.554 0.045 0.000 2.759 266 T HA -0.163 4.186 4.350 -0.000 0.000 0.269 266 T C 1.988 176.709 174.700 0.034 0.000 1.042 266 T CA 0.947 63.091 62.100 0.073 0.000 1.140 266 T CB -0.261 68.703 68.868 0.161 0.000 0.864 266 T HN 0.005 nan 8.240 nan 0.000 0.455 267 M N 1.448 121.040 119.600 -0.014 0.000 2.065 267 M HA 0.052 4.532 4.480 -0.000 0.000 0.259 267 M C 2.119 178.404 176.300 -0.025 0.000 1.069 267 M CA 1.574 56.849 55.300 -0.042 0.000 1.110 267 M CB -0.370 32.160 32.600 -0.115 0.000 1.328 267 M HN 0.047 nan 8.290 nan 0.000 0.405 268 R N -0.021 120.464 120.500 -0.024 0.000 2.386 268 R HA 0.162 4.501 4.340 -0.000 0.000 0.216 268 R C 0.775 177.074 176.300 -0.001 0.000 1.119 268 R CA 0.530 56.621 56.100 -0.016 0.000 1.158 268 R CB -0.976 29.312 30.300 -0.020 0.000 1.057 268 R HN 0.726 nan 8.270 nan 0.000 0.489 269 G N 1.142 109.947 108.800 0.008 0.000 2.258 269 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.274 269 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.274 269 G C 0.709 175.621 174.900 0.021 0.000 1.021 269 G CA 0.463 45.574 45.100 0.018 0.000 0.798 269 G HN 0.377 nan 8.290 nan 0.000 0.507 270 I N -1.201 119.381 120.570 0.021 0.000 2.094 270 I HA 0.036 4.205 4.170 -0.000 0.000 0.234 270 I C 1.134 177.271 176.117 0.033 0.000 1.063 270 I CA 1.428 62.741 61.300 0.023 0.000 1.328 270 I CB -0.182 37.829 38.000 0.019 0.000 1.058 270 I HN 0.096 nan 8.210 nan 0.000 0.400 271 V N 0.514 120.454 119.914 0.043 0.000 2.686 271 V HA 0.268 4.388 4.120 -0.000 0.000 0.306 271 V C -0.740 175.395 176.094 0.068 0.000 1.065 271 V CA -1.073 61.260 62.300 0.054 0.000 0.894 271 V CB 1.826 33.682 31.823 0.055 0.000 1.004 271 V HN 0.086 nan 8.190 nan 0.000 0.424 272 K N 2.730 123.172 120.400 0.070 0.000 2.349 272 K HA 0.646 4.966 4.320 -0.000 0.000 0.288 272 K C -0.812 175.840 176.600 0.086 0.000 1.058 272 K CA 0.099 56.435 56.287 0.081 0.000 0.953 272 K CB 1.082 33.621 32.500 0.065 0.000 0.997 272 K HN 0.496 nan 8.250 nan 0.000 0.477 273 V N 1.596 121.577 119.914 0.112 0.000 2.851 273 V HA 0.764 4.884 4.120 -0.000 0.000 0.307 273 V C -0.970 175.130 176.094 0.011 0.000 1.129 273 V CA -1.124 61.224 62.300 0.079 0.000 0.932 273 V CB 2.005 33.892 31.823 0.107 0.000 1.024 273 V HN 0.803 nan 8.190 nan 0.000 0.426 274 A N 2.712 125.402 122.820 -0.216 0.000 2.413 274 A HA 1.061 5.381 4.320 -0.000 0.000 0.307 274 A C -0.518 176.700 177.584 -0.609 0.000 1.087 274 A CA -0.245 51.346 52.037 -0.744 0.000 0.750 274 A CB 2.039 20.762 19.000 -0.461 0.000 1.296 274 A HN 1.827 nan 8.150 nan 0.000 0.423 275 A N 0.452 122.743 122.820 -0.880 0.000 2.422 275 A HA 0.806 5.126 4.320 -0.000 0.000 0.302 275 A C -0.743 176.757 177.584 -0.141 0.000 1.041 275 A CA -0.132 51.728 52.037 -0.295 0.000 0.708 275 A CB 1.388 20.346 19.000 -0.070 0.000 1.257 275 A HN 2.250 nan 8.150 nan 0.000 0.414 276 V N -0.726 119.176 119.914 -0.021 0.000 3.012 276 V HA 0.578 4.698 4.120 -0.000 0.000 0.307 276 V C -0.426 175.722 176.094 0.091 0.000 1.166 276 V CA -1.295 61.026 62.300 0.036 0.000 0.974 276 V CB 1.326 33.157 31.823 0.014 0.000 1.040 276 V HN 0.900 nan 8.190 nan 0.000 0.428 277 K N 1.790 122.249 120.400 0.098 0.000 2.397 277 K HA 0.571 4.891 4.320 -0.000 0.000 0.265 277 K C 0.505 177.208 176.600 0.172 0.000 0.982 277 K CA 0.500 56.855 56.287 0.114 0.000 0.931 277 K CB 0.772 33.330 32.500 0.096 0.000 0.943 277 K HN 1.127 nan 8.250 nan 0.000 0.501 278 A N 3.525 126.423 122.820 0.130 0.000 2.371 278 A HA 0.292 4.612 4.320 -0.000 0.000 0.257 278 A C -2.166 175.492 177.584 0.125 0.000 1.089 278 A CA -1.364 50.733 52.037 0.100 0.000 0.794 278 A CB -0.130 18.892 19.000 0.036 0.000 1.029 278 A HN 0.456 nan 8.150 nan 0.000 0.488 279 P HA 0.388 nan 4.420 nan 0.000 0.276 279 P C 0.746 178.096 177.300 0.083 0.000 1.235 279 P CA 1.504 64.676 63.100 0.121 0.000 0.772 279 P CB 0.697 32.380 31.700 -0.028 0.000 0.871 280 G N 3.080 111.966 108.800 0.144 0.000 2.553 280 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.242 280 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.242 280 G C -0.705 174.373 174.900 0.297 0.000 1.277 280 G CA 0.176 45.392 45.100 0.193 0.000 0.910 280 G HN 0.752 nan 8.290 nan 0.000 0.576 281 F N -2.993 116.973 119.950 0.027 0.000 3.052 281 F HA 0.740 5.267 4.527 -0.000 0.000 0.323 281 F C 1.096 176.909 175.800 0.022 0.000 1.178 281 F CA 0.746 58.760 58.000 0.024 0.000 0.892 281 F CB 0.607 39.625 39.000 0.029 0.000 1.416 281 F HN 2.546 nan 8.300 nan 0.000 0.488 282 G N 1.086 109.729 108.800 -0.262 0.000 2.556 282 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.283 282 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.283 282 G C 0.346 175.127 174.900 -0.198 0.000 1.177 282 G CA 0.668 45.561 45.100 -0.344 0.000 0.978 282 G HN 0.936 nan 8.290 nan 0.000 0.554 283 D N 1.072 121.345 120.400 -0.212 0.000 2.110 283 D HA -0.060 4.580 4.640 -0.000 0.000 0.202 283 D C 2.619 178.845 176.300 -0.124 0.000 0.975 283 D CA 1.528 55.450 54.000 -0.129 0.000 0.839 283 D CB -0.137 40.598 40.800 -0.108 0.000 0.996 283 D HN 0.610 nan 8.370 nan 0.000 0.464 284 R N 1.503 121.909 120.500 -0.157 0.000 2.139 284 R HA -0.128 4.212 4.340 -0.000 0.000 0.243 284 R C 2.271 178.508 176.300 -0.104 0.000 1.145 284 R CA 1.023 57.046 56.100 -0.128 0.000 0.976 284 R CB -0.590 29.627 30.300 -0.138 0.000 0.866 284 R HN 0.081 nan 8.270 nan 0.000 0.449 285 R N 1.835 122.276 120.500 -0.098 0.000 2.115 285 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 285 R C 1.677 177.940 176.300 -0.062 0.000 1.133 285 R CA 2.453 58.518 56.100 -0.058 0.000 0.935 285 R CB -0.157 30.135 30.300 -0.014 0.000 0.853 285 R HN 0.346 nan 8.270 nan 0.000 0.433 286 K N -0.146 120.221 120.400 -0.055 0.000 2.032 286 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 286 K C 2.198 178.763 176.600 -0.059 0.000 1.048 286 K CA 1.587 57.845 56.287 -0.048 0.000 0.927 286 K CB -0.240 32.237 32.500 -0.039 0.000 0.712 286 K HN 0.286 nan 8.250 nan 0.000 0.441 287 A N 1.273 124.053 122.820 -0.066 0.000 1.898 287 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 287 A C 2.173 179.709 177.584 -0.081 0.000 1.181 287 A CA 1.357 53.353 52.037 -0.068 0.000 0.620 287 A CB -0.432 18.526 19.000 -0.069 0.000 0.819 287 A HN 0.186 nan 8.150 nan 0.000 0.442 288 M N -1.086 118.457 119.600 -0.096 0.000 2.175 288 M HA -0.071 4.408 4.480 -0.000 0.000 0.264 288 M C 2.228 178.436 176.300 -0.154 0.000 1.063 288 M CA 1.275 56.500 55.300 -0.125 0.000 1.119 288 M CB -0.317 32.204 32.600 -0.132 0.000 1.377 288 M HN 0.500 nan 8.290 nan 0.000 0.415 289 L N 0.072 121.215 121.223 -0.133 0.000 2.046 289 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 289 L C 2.588 179.400 176.870 -0.096 0.000 1.077 289 L CA 1.459 56.223 54.840 -0.127 0.000 0.747 289 L CB -0.294 41.715 42.059 -0.083 0.000 0.896 289 L HN 0.293 nan 8.230 nan 0.000 0.432 290 Q N 0.210 119.964 119.800 -0.076 0.000 2.096 290 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 290 Q C 1.695 177.659 176.000 -0.061 0.000 0.982 290 Q CA 2.246 58.014 55.803 -0.058 0.000 0.850 290 Q CB -0.353 28.355 28.738 -0.049 0.000 0.901 290 Q HN 0.478 nan 8.270 nan 0.000 0.422 291 D N -0.112 120.243 120.400 -0.075 0.000 2.123 291 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 291 D C 1.950 178.205 176.300 -0.074 0.000 0.992 291 D CA 1.523 55.479 54.000 -0.072 0.000 0.833 291 D CB -0.242 40.507 40.800 -0.085 0.000 0.954 291 D HN 0.406 nan 8.370 nan 0.000 0.455 292 I N 1.309 121.816 120.570 -0.104 0.000 2.286 292 I HA -0.261 3.908 4.170 -0.000 0.000 0.248 292 I C 2.551 178.637 176.117 -0.052 0.000 1.115 292 I CA 0.968 62.208 61.300 -0.100 0.000 1.392 292 I CB -0.227 37.674 38.000 -0.164 0.000 1.065 292 I HN -0.077 nan 8.210 nan 0.000 0.418 293 A N 0.705 123.498 122.820 -0.045 0.000 1.883 293 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 293 A C 2.413 179.988 177.584 -0.015 0.000 1.186 293 A CA 2.602 54.626 52.037 -0.022 0.000 0.624 293 A CB -1.219 17.768 19.000 -0.022 0.000 0.822 293 A HN 0.406 nan 8.150 nan 0.000 0.444 294 T N 0.597 115.138 114.554 -0.023 0.000 2.652 294 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 294 T C 1.830 176.523 174.700 -0.012 0.000 1.039 294 T CA 1.381 63.471 62.100 -0.017 0.000 1.153 294 T CB -0.430 68.424 68.868 -0.023 0.000 0.863 294 T HN 0.248 nan 8.240 nan 0.000 0.428 295 L N 1.909 123.122 121.223 -0.016 0.000 2.127 295 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 295 L C 2.288 179.157 176.870 -0.001 0.000 1.089 295 L CA 2.363 57.198 54.840 -0.010 0.000 0.757 295 L CB -1.438 40.614 42.059 -0.012 0.000 0.899 295 L HN 0.529 nan 8.230 nan 0.000 0.434 296 T N -4.581 109.975 114.554 0.002 0.000 3.054 296 T HA 0.281 4.631 4.350 -0.000 0.000 0.255 296 T C 1.227 175.939 174.700 0.022 0.000 1.035 296 T CA 0.361 62.468 62.100 0.013 0.000 0.941 296 T CB 0.063 68.943 68.868 0.020 0.000 1.026 296 T HN 0.477 nan 8.240 nan 0.000 0.533 297 G N 0.689 109.498 108.800 0.015 0.000 2.295 297 G HA2 0.070 4.030 3.960 -0.000 0.000 0.287 297 G HA3 0.070 4.030 3.960 -0.000 0.000 0.287 297 G C 0.299 175.216 174.900 0.029 0.000 1.055 297 G CA -0.126 44.986 45.100 0.019 0.000 0.922 297 G HN 1.044 nan 8.290 nan 0.000 0.503 298 G N -1.721 107.093 108.800 0.023 0.000 2.735 298 G HA2 0.804 4.764 3.960 -0.000 0.000 0.301 298 G HA3 0.804 4.764 3.960 -0.000 0.000 0.301 298 G C -0.473 174.433 174.900 0.010 0.000 1.279 298 G CA 0.091 45.207 45.100 0.026 0.000 1.019 298 G HN 0.602 nan 8.290 nan 0.000 0.497 299 T N 0.385 114.943 114.554 0.006 0.000 2.797 299 T HA 0.437 4.787 4.350 -0.000 0.000 0.279 299 T C 0.178 174.875 174.700 -0.005 0.000 0.991 299 T CA -0.279 61.820 62.100 -0.002 0.000 0.979 299 T CB 1.670 70.535 68.868 -0.004 0.000 0.943 299 T HN 0.360 nan 8.240 nan 0.000 0.444 300 V N 4.483 124.391 119.914 -0.010 0.000 2.585 300 V HA 0.182 4.302 4.120 -0.000 0.000 0.296 300 V C 0.297 176.385 176.094 -0.009 0.000 1.035 300 V CA 0.034 62.327 62.300 -0.013 0.000 1.084 300 V CB 0.069 31.881 31.823 -0.018 0.000 0.953 300 V HN 0.757 nan 8.190 nan 0.000 0.483 301 I N 5.314 125.880 120.570 -0.007 0.000 2.412 301 I HA 0.299 4.469 4.170 -0.000 0.000 0.279 301 I C 0.330 176.446 176.117 -0.002 0.000 1.063 301 I CA 0.139 61.437 61.300 -0.004 0.000 1.193 301 I CB 0.888 38.886 38.000 -0.003 0.000 1.370 301 I HN 0.743 nan 8.210 nan 0.000 0.479 302 S N 2.454 118.152 115.700 -0.004 0.000 2.621 302 S HA 0.466 4.936 4.470 -0.000 0.000 0.302 302 S C 0.468 175.067 174.600 -0.001 0.000 1.093 302 S CA -0.818 57.381 58.200 -0.002 0.000 1.017 302 S CB 1.957 65.154 63.200 -0.005 0.000 1.077 302 S HN 0.546 nan 8.310 nan 0.000 0.517 303 E N 0.404 120.605 120.200 0.002 0.000 2.442 303 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 303 E C 0.958 177.558 176.600 0.001 0.000 1.030 303 E CA 0.372 56.773 56.400 0.002 0.000 0.869 303 E CB -0.057 29.646 29.700 0.005 0.000 0.857 303 E HN 0.781 nan 8.360 nan 0.000 0.505 304 E N 0.587 120.787 120.200 -0.000 0.000 2.418 304 E HA -0.056 4.294 4.350 -0.000 0.000 0.197 304 E C 1.140 177.738 176.600 -0.003 0.000 1.026 304 E CA 0.593 56.992 56.400 -0.002 0.000 0.862 304 E CB 0.081 29.780 29.700 -0.003 0.000 0.799 304 E HN 0.358 nan 8.360 nan 0.000 0.518 305 I N -0.261 120.307 120.570 -0.004 0.000 3.974 305 I HA 0.217 4.387 4.170 -0.000 0.000 0.334 305 I C 0.800 176.914 176.117 -0.004 0.000 1.437 305 I CA -0.221 61.076 61.300 -0.005 0.000 1.113 305 I CB 0.599 38.595 38.000 -0.006 0.000 1.063 305 I HN 0.044 nan 8.210 nan 0.000 0.400 306 G N 2.223 111.022 108.800 -0.003 0.000 2.298 306 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.287 306 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.287 306 G C -0.075 174.823 174.900 -0.003 0.000 1.075 306 G CA 0.052 45.151 45.100 -0.002 0.000 0.960 306 G HN 0.337 nan 8.290 nan 0.000 0.502 307 M N -0.477 119.121 119.600 -0.003 0.000 2.508 307 M HA 0.628 5.108 4.480 -0.000 0.000 0.327 307 M C 0.101 176.400 176.300 -0.002 0.000 1.160 307 M CA -0.571 54.727 55.300 -0.003 0.000 0.980 307 M CB 1.882 34.479 32.600 -0.005 0.000 1.693 307 M HN 0.283 nan 8.290 nan 0.000 0.452 308 E N 1.184 121.383 120.200 -0.003 0.000 2.299 308 E HA 0.372 4.722 4.350 -0.000 0.000 0.265 308 E C 0.123 176.721 176.600 -0.003 0.000 0.911 308 E CA -0.734 55.665 56.400 -0.001 0.000 0.789 308 E CB 2.118 31.817 29.700 -0.001 0.000 1.246 308 E HN 0.608 nan 8.360 nan 0.000 0.427 309 L N 0.920 122.142 121.223 -0.001 0.000 2.265 309 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 309 L C 1.609 178.474 176.870 -0.007 0.000 1.117 309 L CA 1.158 55.996 54.840 -0.003 0.000 0.782 309 L CB -0.369 41.691 42.059 0.002 0.000 0.914 309 L HN 0.582 nan 8.230 nan 0.000 0.441 310 E N 0.578 120.774 120.200 -0.006 0.000 2.072 310 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 310 E C 0.956 177.548 176.600 -0.013 0.000 0.985 310 E CA 1.043 57.438 56.400 -0.008 0.000 0.801 310 E CB 0.002 29.699 29.700 -0.005 0.000 0.750 310 E HN 0.295 nan 8.360 nan 0.000 0.452 311 K N 0.460 120.852 120.400 -0.012 0.000 3.165 311 K HA 0.417 4.737 4.320 -0.000 0.000 0.259 311 K C -0.943 175.645 176.600 -0.019 0.000 1.282 311 K CA -0.227 56.051 56.287 -0.015 0.000 1.259 311 K CB 0.830 33.324 32.500 -0.011 0.000 1.546 311 K HN -0.029 nan 8.250 nan 0.000 0.384 312 A N 1.331 124.136 122.820 -0.025 0.000 2.375 312 A HA 0.321 4.641 4.320 -0.000 0.000 0.291 312 A C 0.124 177.678 177.584 -0.049 0.000 1.160 312 A CA -0.725 51.292 52.037 -0.032 0.000 0.747 312 A CB 0.558 19.541 19.000 -0.028 0.000 1.170 312 A HN 0.327 nan 8.150 nan 0.000 0.458 313 T N 0.110 114.631 114.554 -0.054 0.000 2.862 313 T HA 0.479 4.828 4.350 -0.000 0.000 0.276 313 T C 1.298 175.930 174.700 -0.115 0.000 0.974 313 T CA -0.638 61.416 62.100 -0.077 0.000 0.966 313 T CB 0.398 69.231 68.868 -0.059 0.000 1.072 313 T HN 0.359 nan 8.240 nan 0.000 0.538 314 L N -0.019 121.100 121.223 -0.173 0.000 2.197 314 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 314 L C 2.909 179.666 176.870 -0.189 0.000 1.095 314 L CA 1.644 56.301 54.840 -0.305 0.000 0.764 314 L CB -0.545 41.278 42.059 -0.394 0.000 0.897 314 L HN 0.856 nan 8.230 nan 0.000 0.436 315 E N -0.141 120.005 120.200 -0.090 0.000 2.347 315 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 315 E C 1.129 177.721 176.600 -0.013 0.000 1.008 315 E CA 0.682 57.065 56.400 -0.028 0.000 0.852 315 E CB 0.191 29.880 29.700 -0.017 0.000 0.783 315 E HN 0.543 nan 8.360 nan 0.000 0.505 316 D N 0.178 120.560 120.400 -0.031 0.000 2.323 316 D HA -0.041 4.599 4.640 -0.000 0.000 0.209 316 D C 0.158 176.458 176.300 0.000 0.000 0.973 316 D CA 0.282 54.273 54.000 -0.015 0.000 0.874 316 D CB 0.324 41.110 40.800 -0.023 0.000 0.930 316 D HN 0.133 nan 8.370 nan 0.000 0.521 317 L N 1.008 122.230 121.223 -0.001 0.000 2.350 317 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 317 L C 1.356 178.297 176.870 0.118 0.000 1.099 317 L CA -0.206 54.663 54.840 0.049 0.000 0.808 317 L CB 1.306 43.378 42.059 0.022 0.000 1.149 317 L HN -0.153 nan 8.230 nan 0.000 0.442 318 G N 1.513 110.379 108.800 0.109 0.000 2.684 318 G HA2 0.391 4.350 3.960 -0.000 0.000 0.255 318 G HA3 0.391 4.350 3.960 -0.000 0.000 0.255 318 G C -0.823 174.168 174.900 0.151 0.000 1.219 318 G CA -0.175 44.986 45.100 0.102 0.000 0.901 318 G HN 0.591 nan 8.290 nan 0.000 0.548 319 Q N -1.651 118.195 119.800 0.076 0.000 2.377 319 Q HA 0.603 4.943 4.340 -0.000 0.000 0.279 319 Q C -0.788 175.197 176.000 -0.024 0.000 1.049 319 Q CA -0.694 55.110 55.803 0.001 0.000 0.825 319 Q CB 2.135 30.847 28.738 -0.044 0.000 1.401 319 Q HN 0.949 nan 8.270 nan 0.000 0.404 320 A N 1.830 124.616 122.820 -0.057 0.000 2.524 320 A HA 0.535 4.855 4.320 -0.000 0.000 0.286 320 A C -0.615 176.930 177.584 -0.065 0.000 1.203 320 A CA -0.544 51.468 52.037 -0.042 0.000 0.736 320 A CB 1.461 20.452 19.000 -0.015 0.000 1.322 320 A HN 0.773 nan 8.150 nan 0.000 0.424 321 K N -0.786 119.587 120.400 -0.044 0.000 2.284 321 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 321 K C 0.298 176.875 176.600 -0.038 0.000 1.048 321 K CA 0.775 57.034 56.287 -0.046 0.000 0.987 321 K CB 0.322 32.803 32.500 -0.032 0.000 0.800 321 K HN 0.506 nan 8.250 nan 0.000 0.486 322 R N -0.011 120.473 120.500 -0.026 0.000 2.629 322 R HA 0.247 4.587 4.340 -0.000 0.000 0.266 322 R C -1.784 174.512 176.300 -0.007 0.000 1.051 322 R CA -0.577 55.513 56.100 -0.017 0.000 0.895 322 R CB 2.322 32.614 30.300 -0.012 0.000 1.246 322 R HN -0.078 nan 8.270 nan 0.000 0.459 323 V N -0.747 119.164 119.914 -0.005 0.000 2.971 323 V HA 0.858 4.978 4.120 -0.000 0.000 0.309 323 V C -1.178 174.913 176.094 -0.005 0.000 1.130 323 V CA -0.723 61.578 62.300 0.001 0.000 0.964 323 V CB 2.270 34.097 31.823 0.007 0.000 1.029 323 V HN 0.416 nan 8.190 nan 0.000 0.427 324 V N 4.436 124.341 119.914 -0.014 0.000 2.760 324 V HA 0.682 4.802 4.120 -0.000 0.000 0.309 324 V C -0.489 175.579 176.094 -0.044 0.000 1.077 324 V CA -0.335 61.955 62.300 -0.017 0.000 0.910 324 V CB 1.826 33.640 31.823 -0.015 0.000 1.008 324 V HN 1.175 nan 8.190 nan 0.000 0.424 325 I N 1.006 121.565 120.570 -0.018 0.000 2.534 325 I HA 0.675 4.845 4.170 -0.000 0.000 0.288 325 I C -0.718 175.396 176.117 -0.004 0.000 1.077 325 I CA -0.437 60.832 61.300 -0.051 0.000 1.051 325 I CB 2.158 40.126 38.000 -0.053 0.000 1.234 325 I HN 0.475 nan 8.210 nan 0.000 0.425 326 N N 4.914 123.545 118.700 -0.116 0.000 2.566 326 N HA 0.214 4.954 4.740 -0.000 0.000 0.299 326 N C 0.687 175.933 175.510 -0.441 0.000 1.277 326 N CA -0.671 52.306 53.050 -0.122 0.000 0.965 326 N CB 0.900 39.320 38.487 -0.112 0.000 1.142 326 N HN 0.705 nan 8.380 nan 0.000 0.596 327 K N 0.193 120.360 120.400 -0.388 0.000 2.144 327 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 327 K C -0.455 175.819 176.600 -0.544 0.000 1.047 327 K CA 2.386 58.329 56.287 -0.573 0.000 0.927 327 K CB -0.053 32.347 32.500 -0.166 0.000 0.716 327 K HN 0.636 nan 8.250 nan 0.000 0.454 328 D N -2.140 118.052 120.400 -0.347 0.000 2.704 328 D HA 0.090 4.730 4.640 -0.000 0.000 0.291 328 D C -0.989 175.173 176.300 -0.230 0.000 1.610 328 D CA -0.413 53.436 54.000 -0.252 0.000 0.807 328 D CB 0.924 41.630 40.800 -0.157 0.000 1.233 328 D HN -0.149 nan 8.370 nan 0.000 0.445 329 T N 0.442 114.837 114.554 -0.265 0.000 3.066 329 T HA 0.400 4.750 4.350 -0.000 0.000 0.318 329 T C -0.813 173.689 174.700 -0.331 0.000 0.979 329 T CA -0.363 61.575 62.100 -0.271 0.000 1.025 329 T CB 1.543 70.306 68.868 -0.175 0.000 1.002 329 T HN -0.084 nan 8.240 nan 0.000 0.453 330 T N 2.935 117.146 114.554 -0.570 0.000 2.837 330 T HA 0.665 5.015 4.350 -0.000 0.000 0.285 330 T C 0.149 174.527 174.700 -0.537 0.000 0.984 330 T CA -0.476 61.254 62.100 -0.616 0.000 1.049 330 T CB 1.375 69.733 68.868 -0.849 0.000 0.947 330 T HN 0.586 nan 8.240 nan 0.000 0.472 331 T N 2.419 116.855 114.554 -0.197 0.000 2.921 331 T HA 0.650 5.000 4.350 -0.000 0.000 0.297 331 T C -1.179 173.546 174.700 0.041 0.000 1.013 331 T CA -0.743 61.338 62.100 -0.032 0.000 0.990 331 T CB 0.389 69.234 68.868 -0.038 0.000 1.023 331 T HN 0.426 nan 8.240 nan 0.000 0.447 332 I N 5.624 126.256 120.570 0.103 0.000 2.354 332 I HA 0.463 4.633 4.170 -0.000 0.000 0.286 332 I C -0.200 175.946 176.117 0.048 0.000 1.007 332 I CA -0.745 60.602 61.300 0.078 0.000 1.167 332 I CB 1.476 39.539 38.000 0.105 0.000 1.320 332 I HN 0.583 nan 8.210 nan 0.000 0.458 333 I N 5.334 125.919 120.570 0.025 0.000 2.353 333 I HA 0.274 4.444 4.170 -0.000 0.000 0.293 333 I C -0.308 175.813 176.117 0.007 0.000 0.992 333 I CA -0.404 60.904 61.300 0.014 0.000 1.268 333 I CB 0.897 38.900 38.000 0.006 0.000 1.387 333 I HN 0.597 nan 8.210 nan 0.000 0.478 334 D N 4.526 124.929 120.400 0.005 0.000 3.729 334 D HA -0.101 4.539 4.640 -0.000 0.000 0.242 334 D C 0.170 176.468 176.300 -0.004 0.000 1.091 334 D CA 0.961 54.961 54.000 -0.001 0.000 1.096 334 D CB -0.155 40.642 40.800 -0.006 0.000 0.901 334 D HN 0.845 nan 8.370 nan 0.000 0.416 335 G N 0.622 109.422 108.800 -0.000 0.000 2.572 335 G HA2 0.389 4.349 3.960 -0.000 0.000 0.261 335 G HA3 0.389 4.349 3.960 -0.000 0.000 0.261 335 G C 1.301 176.198 174.900 -0.005 0.000 1.197 335 G CA -0.386 44.713 45.100 -0.001 0.000 0.870 335 G HN 0.376 nan 8.290 nan 0.000 0.548 336 V N 1.128 121.040 119.914 -0.003 0.000 3.129 336 V HA 0.093 4.212 4.120 -0.000 0.000 0.259 336 V C 2.071 178.168 176.094 0.005 0.000 1.116 336 V CA 0.939 63.239 62.300 -0.001 0.000 1.127 336 V CB -0.686 31.137 31.823 0.001 0.000 0.742 336 V HN 0.815 nan 8.190 nan 0.000 0.474 337 G N 1.064 109.868 108.800 0.006 0.000 2.265 337 G HA2 0.094 4.054 3.960 -0.000 0.000 0.240 337 G HA3 0.094 4.054 3.960 -0.000 0.000 0.240 337 G C -0.152 174.749 174.900 0.001 0.000 1.270 337 G CA -0.150 44.953 45.100 0.004 0.000 0.901 337 G HN 0.530 nan 8.290 nan 0.000 0.507 338 E N 1.735 121.936 120.200 0.001 0.000 2.343 338 E HA 0.099 4.448 4.350 -0.000 0.000 0.269 338 E C 0.637 177.235 176.600 -0.002 0.000 1.047 338 E CA -0.249 56.151 56.400 0.000 0.000 0.874 338 E CB 1.588 31.288 29.700 0.001 0.000 1.033 338 E HN 0.660 nan 8.360 nan 0.000 0.409 339 E N 1.396 121.594 120.200 -0.003 0.000 2.463 339 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 339 E C 1.468 178.065 176.600 -0.004 0.000 1.045 339 E CA 0.642 57.039 56.400 -0.004 0.000 0.872 339 E CB -0.014 29.684 29.700 -0.003 0.000 0.797 339 E HN 0.568 nan 8.360 nan 0.000 0.538 340 A N 1.534 124.352 122.820 -0.004 0.000 1.841 340 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 340 A C 2.411 179.992 177.584 -0.005 0.000 1.195 340 A CA 1.457 53.491 52.037 -0.004 0.000 0.611 340 A CB -0.728 18.270 19.000 -0.003 0.000 0.835 340 A HN 0.313 nan 8.150 nan 0.000 0.443 341 A N 0.075 122.892 122.820 -0.005 0.000 1.877 341 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 341 A C 2.134 179.712 177.584 -0.009 0.000 1.186 341 A CA 1.615 53.648 52.037 -0.007 0.000 0.620 341 A CB -0.754 18.244 19.000 -0.005 0.000 0.822 341 A HN 0.511 nan 8.150 nan 0.000 0.443 342 I N -1.053 119.511 120.570 -0.009 0.000 2.058 342 I HA -0.320 3.850 4.170 -0.000 0.000 0.235 342 I C 2.748 178.858 176.117 -0.012 0.000 1.053 342 I CA 1.998 63.292 61.300 -0.011 0.000 1.313 342 I CB -0.568 37.426 38.000 -0.009 0.000 1.039 342 I HN 0.339 nan 8.210 nan 0.000 0.396 343 Q N 1.283 121.077 119.800 -0.010 0.000 2.248 343 Q HA -0.143 4.197 4.340 -0.000 0.000 0.208 343 Q C 1.941 177.934 176.000 -0.011 0.000 0.984 343 Q CA 1.925 57.722 55.803 -0.010 0.000 0.875 343 Q CB -0.708 28.026 28.738 -0.008 0.000 0.910 343 Q HN 0.562 nan 8.270 nan 0.000 0.433 344 G N 0.026 108.820 108.800 -0.010 0.000 2.484 344 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.215 344 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.215 344 G C 1.464 176.356 174.900 -0.014 0.000 1.219 344 G CA 0.877 45.970 45.100 -0.011 0.000 0.791 344 G HN 0.380 nan 8.290 nan 0.000 0.550 345 R N 0.236 120.726 120.500 -0.016 0.000 2.117 345 R HA -0.055 4.285 4.340 -0.000 0.000 0.243 345 R C 2.543 178.830 176.300 -0.022 0.000 1.143 345 R CA 1.685 57.773 56.100 -0.020 0.000 0.968 345 R CB -0.950 29.336 30.300 -0.023 0.000 0.863 345 R HN 0.248 nan 8.270 nan 0.000 0.444 346 V N 0.593 120.495 119.914 -0.020 0.000 2.295 346 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 346 V C 2.289 178.371 176.094 -0.019 0.000 1.049 346 V CA 1.989 64.277 62.300 -0.020 0.000 1.024 346 V CB -0.967 30.846 31.823 -0.017 0.000 0.648 346 V HN 0.560 nan 8.190 nan 0.000 0.447 347 A N -1.258 121.552 122.820 -0.016 0.000 2.178 347 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 347 A C 2.150 179.724 177.584 -0.017 0.000 1.157 347 A CA 1.505 53.533 52.037 -0.015 0.000 0.689 347 A CB -0.347 18.646 19.000 -0.013 0.000 0.787 347 A HN 0.670 nan 8.150 nan 0.000 0.465 348 Q N -0.674 119.114 119.800 -0.019 0.000 2.061 348 Q HA 0.016 4.356 4.340 -0.000 0.000 0.195 348 Q C 1.830 177.815 176.000 -0.025 0.000 0.967 348 Q CA 1.305 57.096 55.803 -0.021 0.000 0.829 348 Q CB -0.211 28.513 28.738 -0.022 0.000 0.900 348 Q HN 0.757 nan 8.270 nan 0.000 0.450 349 I N 0.395 120.948 120.570 -0.028 0.000 2.614 349 I HA -0.196 3.974 4.170 -0.000 0.000 0.258 349 I C 2.367 178.466 176.117 -0.030 0.000 1.189 349 I CA 0.675 61.955 61.300 -0.033 0.000 1.462 349 I CB -0.186 37.792 38.000 -0.037 0.000 1.092 349 I HN 0.061 nan 8.210 nan 0.000 0.442 350 R N 1.079 121.564 120.500 -0.025 0.000 2.120 350 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 350 R C 2.050 178.338 176.300 -0.021 0.000 1.123 350 R CA 1.384 57.471 56.100 -0.022 0.000 0.975 350 R CB -0.013 30.277 30.300 -0.018 0.000 0.866 350 R HN 0.434 nan 8.270 nan 0.000 0.446 351 Q N -0.898 118.890 119.800 -0.020 0.000 2.392 351 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 351 Q C 1.546 177.533 176.000 -0.021 0.000 0.917 351 Q CA 0.194 55.985 55.803 -0.019 0.000 0.939 351 Q CB 0.656 29.384 28.738 -0.016 0.000 1.063 351 Q HN 0.410 nan 8.270 nan 0.000 0.516 352 Q N 0.365 120.149 119.800 -0.027 0.000 2.083 352 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 352 Q C 2.066 178.047 176.000 -0.032 0.000 0.969 352 Q CA 0.999 56.784 55.803 -0.031 0.000 0.838 352 Q CB -0.036 28.678 28.738 -0.040 0.000 0.900 352 Q HN 0.462 nan 8.270 nan 0.000 0.436 353 I N 1.498 122.049 120.570 -0.032 0.000 2.226 353 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 353 I C 2.183 178.287 176.117 -0.022 0.000 1.100 353 I CA 1.066 62.348 61.300 -0.030 0.000 1.374 353 I CB -0.428 37.554 38.000 -0.029 0.000 1.057 353 I HN 0.098 nan 8.210 nan 0.000 0.413 354 E N 1.335 121.524 120.200 -0.019 0.000 2.118 354 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 354 E C 1.536 178.129 176.600 -0.011 0.000 0.992 354 E CA 1.460 57.852 56.400 -0.013 0.000 0.804 354 E CB -0.305 29.388 29.700 -0.012 0.000 0.741 354 E HN 0.680 nan 8.360 nan 0.000 0.458 355 E N 0.026 120.217 120.200 -0.014 0.000 2.501 355 E HA 0.303 4.652 4.350 -0.000 0.000 0.201 355 E C 0.018 176.610 176.600 -0.013 0.000 1.016 355 E CA -0.033 56.360 56.400 -0.012 0.000 0.920 355 E CB 0.807 30.500 29.700 -0.012 0.000 1.023 355 E HN 0.039 nan 8.360 nan 0.000 0.474 356 A N 1.940 124.750 122.820 -0.017 0.000 2.541 356 A HA 0.063 4.383 4.320 -0.000 0.000 0.293 356 A C 1.397 178.977 177.584 -0.007 0.000 1.307 356 A CA 0.012 52.038 52.037 -0.018 0.000 0.978 356 A CB -0.519 18.464 19.000 -0.029 0.000 1.111 356 A HN 0.271 nan 8.150 nan 0.000 0.535 357 T N 0.004 114.558 114.554 -0.001 0.000 3.118 357 T HA 0.108 4.458 4.350 -0.000 0.000 0.260 357 T C 0.968 175.677 174.700 0.014 0.000 1.139 357 T CA 0.886 62.989 62.100 0.006 0.000 1.085 357 T CB -0.085 68.787 68.868 0.007 0.000 0.934 357 T HN 0.502 nan 8.240 nan 0.000 0.518 358 S N -0.544 115.166 115.700 0.018 0.000 2.767 358 S HA 0.403 4.873 4.470 -0.000 0.000 0.300 358 S C 0.284 174.906 174.600 0.036 0.000 1.123 358 S CA -0.734 57.487 58.200 0.036 0.000 0.992 358 S CB 1.493 64.727 63.200 0.056 0.000 1.138 358 S HN 0.134 nan 8.310 nan 0.000 0.550 359 D N 0.022 120.459 120.400 0.062 0.000 2.414 359 D HA 0.025 4.665 4.640 -0.000 0.000 0.237 359 D C 1.391 177.742 176.300 0.084 0.000 0.975 359 D CA 0.888 54.925 54.000 0.062 0.000 0.917 359 D CB -0.421 40.419 40.800 0.067 0.000 1.061 359 D HN 0.645 nan 8.370 nan 0.000 0.480 360 Y N 2.081 122.381 120.300 0.000 0.000 2.315 360 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 360 Y C 1.247 177.143 175.900 -0.006 0.000 1.154 360 Y CA 1.566 59.667 58.100 0.001 0.000 1.229 360 Y CB -0.159 38.304 38.460 0.006 0.000 0.980 360 Y HN -0.118 nan 8.280 nan 0.000 0.540 361 D N -0.591 119.757 120.400 -0.086 0.000 2.219 361 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 361 D C 2.121 178.341 176.300 -0.134 0.000 0.970 361 D CA 0.974 54.892 54.000 -0.137 0.000 0.851 361 D CB -0.044 40.733 40.800 -0.038 0.000 0.943 361 D HN 0.279 nan 8.370 nan 0.000 0.488 362 R N 0.243 120.688 120.500 -0.092 0.000 2.127 362 R HA -0.055 4.285 4.340 -0.000 0.000 0.217 362 R C 1.649 177.894 176.300 -0.091 0.000 1.074 362 R CA 0.657 56.714 56.100 -0.072 0.000 0.991 362 R CB 0.270 30.548 30.300 -0.037 0.000 0.895 362 R HN 0.070 nan 8.270 nan 0.000 0.450 363 E N 1.139 121.269 120.200 -0.116 0.000 2.012 363 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 363 E C 1.772 178.293 176.600 -0.131 0.000 1.007 363 E CA 1.199 57.534 56.400 -0.109 0.000 0.816 363 E CB -0.206 29.432 29.700 -0.105 0.000 0.762 363 E HN 0.146 nan 8.360 nan 0.000 0.451 364 K N 0.902 121.173 120.400 -0.216 0.000 2.032 364 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 364 K C 2.526 179.052 176.600 -0.123 0.000 1.048 364 K CA 0.760 56.937 56.287 -0.184 0.000 0.927 364 K CB -0.804 31.539 32.500 -0.261 0.000 0.712 364 K HN 0.182 nan 8.250 nan 0.000 0.441 365 L N 1.054 122.205 121.223 -0.120 0.000 2.017 365 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 365 L C 2.679 179.510 176.870 -0.066 0.000 1.073 365 L CA 1.394 56.182 54.840 -0.087 0.000 0.745 365 L CB -0.509 41.503 42.059 -0.078 0.000 0.894 365 L HN 0.237 nan 8.230 nan 0.000 0.432 366 Q N -0.154 119.609 119.800 -0.062 0.000 2.135 366 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 366 Q C 2.125 178.102 176.000 -0.039 0.000 0.981 366 Q CA 1.651 57.426 55.803 -0.046 0.000 0.856 366 Q CB -0.081 28.631 28.738 -0.043 0.000 0.902 366 Q HN 0.520 nan 8.270 nan 0.000 0.425 367 E N 0.331 120.505 120.200 -0.044 0.000 2.058 367 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 367 E C 2.022 178.606 176.600 -0.028 0.000 0.997 367 E CA 1.097 57.478 56.400 -0.031 0.000 0.801 367 E CB -0.037 29.645 29.700 -0.030 0.000 0.746 367 E HN 0.274 nan 8.360 nan 0.000 0.450 368 R N 0.540 121.015 120.500 -0.042 0.000 2.096 368 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 368 R C 2.732 179.011 176.300 -0.035 0.000 1.127 368 R CA 1.400 57.474 56.100 -0.043 0.000 0.968 368 R CB -0.709 29.556 30.300 -0.058 0.000 0.861 368 R HN 0.230 nan 8.270 nan 0.000 0.440 369 V N -0.868 119.025 119.914 -0.034 0.000 2.407 369 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 369 V C 2.225 178.307 176.094 -0.020 0.000 1.055 369 V CA 1.897 64.181 62.300 -0.027 0.000 1.049 369 V CB -0.741 31.065 31.823 -0.028 0.000 0.662 369 V HN 0.253 nan 8.190 nan 0.000 0.455 370 A N 0.150 122.960 122.820 -0.017 0.000 1.929 370 A HA -0.077 4.242 4.320 -0.000 0.000 0.216 370 A C 2.288 179.870 177.584 -0.003 0.000 1.176 370 A CA 1.702 53.733 52.037 -0.009 0.000 0.628 370 A CB -0.578 18.418 19.000 -0.007 0.000 0.816 370 A HN 0.596 nan 8.150 nan 0.000 0.444 371 K N -0.775 119.623 120.400 -0.003 0.000 2.211 371 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 371 K C 1.510 178.110 176.600 -0.000 0.000 1.047 371 K CA 1.245 57.535 56.287 0.005 0.000 0.935 371 K CB -0.199 32.302 32.500 0.001 0.000 0.728 371 K HN 0.477 nan 8.250 nan 0.000 0.452 372 L N -1.096 120.121 121.223 -0.010 0.000 2.362 372 L HA 0.113 4.453 4.340 -0.000 0.000 0.204 372 L C 1.898 178.763 176.870 -0.009 0.000 1.060 372 L CA 0.267 55.100 54.840 -0.012 0.000 0.827 372 L CB -0.128 41.918 42.059 -0.021 0.000 1.027 372 L HN 0.075 nan 8.230 nan 0.000 0.474 373 A N 0.259 123.074 122.820 -0.009 0.000 3.051 373 A HA 0.319 4.639 4.320 -0.000 0.000 0.187 373 A C 1.709 179.291 177.584 -0.004 0.000 1.690 373 A CA 0.843 52.876 52.037 -0.007 0.000 0.677 373 A CB -1.404 17.590 19.000 -0.009 0.000 1.164 373 A HN 0.256 nan 8.150 nan 0.000 0.473 374 G N -1.565 107.233 108.800 -0.003 0.000 2.961 374 G HA2 0.424 4.384 3.960 -0.000 0.000 0.150 374 G HA3 0.424 4.384 3.960 -0.000 0.000 0.150 374 G C 0.496 175.397 174.900 0.002 0.000 1.864 374 G CA 0.647 45.746 45.100 -0.001 0.000 0.992 374 G HN 1.379 nan 8.290 nan 0.000 0.458 375 G N -2.721 106.081 108.800 0.004 0.000 2.788 375 G HA2 0.513 4.473 3.960 -0.000 0.000 0.293 375 G HA3 0.513 4.473 3.960 -0.000 0.000 0.293 375 G C -2.022 172.882 174.900 0.007 0.000 1.392 375 G CA -0.273 44.831 45.100 0.007 0.000 0.810 375 G HN 0.697 nan 8.290 nan 0.000 0.508 376 V N -0.098 119.822 119.914 0.011 0.000 2.680 376 V HA 0.806 4.926 4.120 -0.000 0.000 0.309 376 V C -0.000 176.100 176.094 0.010 0.000 1.052 376 V CA -0.343 61.963 62.300 0.011 0.000 0.908 376 V CB 1.494 33.326 31.823 0.015 0.000 1.001 376 V HN 1.316 nan 8.190 nan 0.000 0.431 377 A N 4.161 126.987 122.820 0.010 0.000 2.386 377 A HA 0.918 5.238 4.320 -0.000 0.000 0.311 377 A C -1.243 176.348 177.584 0.012 0.000 1.068 377 A CA -0.565 51.478 52.037 0.010 0.000 0.743 377 A CB 1.968 20.973 19.000 0.009 0.000 1.258 377 A HN 0.673 nan 8.150 nan 0.000 0.429 378 V N 2.861 122.782 119.914 0.012 0.000 2.448 378 V HA 0.410 4.529 4.120 -0.000 0.000 0.295 378 V C -0.383 175.719 176.094 0.013 0.000 1.025 378 V CA -0.233 62.075 62.300 0.013 0.000 0.859 378 V CB 1.466 33.295 31.823 0.011 0.000 0.988 378 V HN 0.750 nan 8.190 nan 0.000 0.431 379 I N 4.689 125.268 120.570 0.016 0.000 2.321 379 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 379 I C 0.168 176.293 176.117 0.013 0.000 0.998 379 I CA -0.406 60.903 61.300 0.014 0.000 1.227 379 I CB 1.174 39.184 38.000 0.017 0.000 1.368 379 I HN 0.511 nan 8.210 nan 0.000 0.466 380 K N 6.095 126.501 120.400 0.010 0.000 2.240 380 K HA 0.461 4.781 4.320 -0.000 0.000 0.271 380 K C -0.912 175.692 176.600 0.007 0.000 1.018 380 K CA -0.629 55.663 56.287 0.008 0.000 0.874 380 K CB 1.886 34.390 32.500 0.006 0.000 1.098 380 K HN 0.321 nan 8.250 nan 0.000 0.458 381 V N 2.211 122.130 119.914 0.008 0.000 2.432 381 V HA 0.326 4.446 4.120 -0.000 0.000 0.275 381 V C 0.760 176.857 176.094 0.004 0.000 1.043 381 V CA -0.894 61.410 62.300 0.006 0.000 0.925 381 V CB 1.152 32.979 31.823 0.007 0.000 0.985 381 V HN 0.881 nan 8.190 nan 0.000 0.466 382 G N 2.826 111.628 108.800 0.003 0.000 2.389 382 G HA2 0.780 4.740 3.960 -0.000 0.000 0.317 382 G HA3 0.780 4.740 3.960 -0.000 0.000 0.317 382 G C -0.496 174.405 174.900 0.001 0.000 1.137 382 G CA 0.015 45.116 45.100 0.002 0.000 0.870 382 G HN 1.267 nan 8.290 nan 0.000 0.496 383 A N 0.067 122.888 122.820 0.001 0.000 2.610 383 A HA 0.795 5.115 4.320 -0.000 0.000 0.291 383 A C 0.701 178.285 177.584 -0.000 0.000 1.086 383 A CA 0.301 52.338 52.037 -0.000 0.000 0.677 383 A CB 0.824 19.824 19.000 -0.000 0.000 1.278 383 A HN 1.700 nan 8.150 nan 0.000 0.414 384 A N -0.036 122.784 122.820 -0.001 0.000 1.874 384 A HA 0.340 4.660 4.320 -0.000 0.000 0.214 384 A C 1.610 179.193 177.584 -0.001 0.000 1.189 384 A CA 2.536 54.573 52.037 -0.001 0.000 0.615 384 A CB -0.910 18.089 19.000 -0.002 0.000 0.830 384 A HN 1.747 nan 8.150 nan 0.000 0.443 385 T N -4.310 110.243 114.554 -0.001 0.000 2.960 385 T HA 0.467 4.817 4.350 -0.000 0.000 0.279 385 T C 0.819 175.519 174.700 0.000 0.000 1.171 385 T CA 0.329 62.428 62.100 -0.001 0.000 0.952 385 T CB 0.931 69.798 68.868 -0.003 0.000 2.127 385 T HN 0.192 nan 8.240 nan 0.000 0.573 386 E N -0.532 119.668 120.200 -0.000 0.000 2.444 386 E HA 0.111 4.461 4.350 -0.000 0.000 0.209 386 E C 2.181 178.781 176.600 0.001 0.000 0.806 386 E CA 0.451 56.852 56.400 0.002 0.000 1.240 386 E CB 0.647 30.349 29.700 0.004 0.000 1.238 386 E HN 0.493 nan 8.360 nan 0.000 0.591 387 V N -0.115 119.798 119.914 -0.002 0.000 2.594 387 V HA -0.171 3.949 4.120 -0.000 0.000 0.253 387 V C 1.966 178.058 176.094 -0.004 0.000 1.069 387 V CA 2.133 64.430 62.300 -0.005 0.000 1.082 387 V CB -0.506 31.312 31.823 -0.009 0.000 0.680 387 V HN 0.167 nan 8.190 nan 0.000 0.469 388 E N -0.198 120.000 120.200 -0.003 0.000 2.122 388 E HA -0.137 4.212 4.350 -0.000 0.000 0.190 388 E C 2.085 178.685 176.600 -0.002 0.000 0.977 388 E CA 0.979 57.377 56.400 -0.003 0.000 0.820 388 E CB -0.106 29.592 29.700 -0.003 0.000 0.770 388 E HN 0.516 nan 8.360 nan 0.000 0.462 389 M N 1.461 121.061 119.600 0.000 0.000 2.082 389 M HA -0.190 4.290 4.480 -0.000 0.000 0.258 389 M C 1.849 178.151 176.300 0.002 0.000 1.069 389 M CA 1.848 57.149 55.300 0.002 0.000 1.102 389 M CB -0.091 32.512 32.600 0.004 0.000 1.336 389 M HN -0.109 nan 8.290 nan 0.000 0.404 390 K N -0.463 119.939 120.400 0.003 0.000 2.009 390 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 390 K C 1.965 178.565 176.600 -0.001 0.000 1.049 390 K CA 2.010 58.299 56.287 0.004 0.000 0.929 390 K CB -0.344 32.159 32.500 0.006 0.000 0.714 390 K HN 0.561 nan 8.250 nan 0.000 0.440 391 E N 1.278 121.477 120.200 -0.003 0.000 2.085 391 E HA -0.264 4.085 4.350 -0.000 0.000 0.194 391 E C 1.846 178.442 176.600 -0.006 0.000 0.994 391 E CA 1.790 58.186 56.400 -0.006 0.000 0.801 391 E CB -0.039 29.657 29.700 -0.007 0.000 0.743 391 E HN 0.070 nan 8.360 nan 0.000 0.453 392 K N 0.906 121.304 120.400 -0.004 0.000 2.002 392 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 392 K C 2.182 178.780 176.600 -0.003 0.000 1.048 392 K CA 1.863 58.148 56.287 -0.004 0.000 0.930 392 K CB -0.217 32.282 32.500 -0.002 0.000 0.714 392 K HN 0.099 nan 8.250 nan 0.000 0.438 393 K N -0.364 120.035 120.400 -0.001 0.000 2.074 393 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 393 K C 1.910 178.507 176.600 -0.005 0.000 1.048 393 K CA 1.437 57.724 56.287 0.001 0.000 0.926 393 K CB -0.290 32.213 32.500 0.005 0.000 0.713 393 K HN 0.287 nan 8.250 nan 0.000 0.444 394 A N 0.834 123.648 122.820 -0.011 0.000 2.019 394 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 394 A C 1.997 179.561 177.584 -0.032 0.000 1.164 394 A CA 1.269 53.291 52.037 -0.024 0.000 0.644 394 A CB -0.272 18.716 19.000 -0.021 0.000 0.805 394 A HN 0.276 nan 8.150 nan 0.000 0.449 395 R N -1.026 119.462 120.500 -0.021 0.000 2.066 395 R HA 0.016 4.356 4.340 -0.000 0.000 0.224 395 R C 2.000 178.291 176.300 -0.015 0.000 1.122 395 R CA 1.168 57.256 56.100 -0.020 0.000 0.974 395 R CB -0.306 29.987 30.300 -0.012 0.000 0.871 395 R HN 0.350 nan 8.270 nan 0.000 0.435 396 V N 1.657 121.568 119.914 -0.005 0.000 2.469 396 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 396 V C 2.151 178.253 176.094 0.012 0.000 1.064 396 V CA 1.640 63.944 62.300 0.006 0.000 1.066 396 V CB -0.461 31.369 31.823 0.011 0.000 0.667 396 V HN 0.291 nan 8.190 nan 0.000 0.461 397 E N 0.303 120.500 120.200 -0.005 0.000 2.058 397 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 397 E C 2.018 178.564 176.600 -0.091 0.000 0.997 397 E CA 1.813 58.202 56.400 -0.019 0.000 0.801 397 E CB -0.328 29.336 29.700 -0.060 0.000 0.746 397 E HN 0.645 nan 8.360 nan 0.000 0.450 398 D N 0.133 120.463 120.400 -0.117 0.000 2.097 398 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 398 D C 1.811 178.092 176.300 -0.033 0.000 0.989 398 D CA 1.619 55.536 54.000 -0.138 0.000 0.827 398 D CB -0.121 40.629 40.800 -0.083 0.000 0.966 398 D HN 0.180 nan 8.370 nan 0.000 0.456 399 A N 0.624 123.447 122.820 0.005 0.000 1.873 399 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 399 A C 2.089 179.718 177.584 0.076 0.000 1.186 399 A CA 0.715 52.774 52.037 0.036 0.000 0.616 399 A CB -0.786 18.228 19.000 0.023 0.000 0.823 399 A HN 0.283 nan 8.150 nan 0.000 0.442 400 L N -0.499 120.783 121.223 0.098 0.000 2.089 400 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 400 L C 2.298 179.284 176.870 0.193 0.000 1.079 400 L CA 2.578 57.498 54.840 0.134 0.000 0.758 400 L CB -1.175 40.972 42.059 0.147 0.000 0.891 400 L HN 0.531 nan 8.230 nan 0.000 0.433 401 H N -0.572 118.506 119.070 0.014 0.000 2.363 401 H HA 0.051 4.607 4.556 -0.000 0.000 0.301 401 H C 2.181 177.519 175.328 0.017 0.000 1.074 401 H CA 1.333 57.391 56.048 0.017 0.000 1.354 401 H CB -0.321 29.453 29.762 0.020 0.000 1.397 401 H HN 0.409 nan 8.280 nan 0.000 0.516 402 A N 0.340 123.258 122.820 0.163 0.000 1.969 402 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 402 A C 2.447 180.069 177.584 0.063 0.000 1.169 402 A CA 2.048 54.142 52.037 0.094 0.000 0.635 402 A CB -0.972 18.065 19.000 0.063 0.000 0.810 402 A HN 0.602 nan 8.150 nan 0.000 0.445 403 T N -1.886 112.702 114.554 0.058 0.000 2.777 403 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 403 T C 1.873 176.589 174.700 0.027 0.000 1.040 403 T CA 1.007 63.129 62.100 0.036 0.000 1.141 403 T CB -0.396 68.491 68.868 0.031 0.000 0.868 403 T HN 0.416 nan 8.240 nan 0.000 0.444 404 R N 1.415 121.929 120.500 0.024 0.000 2.249 404 R HA 0.141 4.481 4.340 -0.000 0.000 0.230 404 R C 2.594 178.894 176.300 0.001 0.000 1.121 404 R CA 1.137 57.235 56.100 -0.003 0.000 0.997 404 R CB -0.665 29.608 30.300 -0.045 0.000 0.867 404 R HN 0.617 nan 8.270 nan 0.000 0.465 405 A N 0.740 123.572 122.820 0.020 0.000 1.911 405 A HA 0.171 4.491 4.320 -0.000 0.000 0.212 405 A C 2.347 179.942 177.584 0.018 0.000 1.189 405 A CA 0.851 52.901 52.037 0.022 0.000 0.639 405 A CB -0.355 18.670 19.000 0.041 0.000 0.839 405 A HN 0.260 nan 8.150 nan 0.000 0.449 406 A N -0.095 122.738 122.820 0.021 0.000 1.892 406 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 406 A C 2.207 179.798 177.584 0.011 0.000 1.188 406 A CA 2.081 54.128 52.037 0.017 0.000 0.631 406 A CB -1.102 17.909 19.000 0.018 0.000 0.822 406 A HN 0.415 nan 8.150 nan 0.000 0.447 407 V N 1.057 120.976 119.914 0.009 0.000 2.287 407 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 407 V C 2.562 178.657 176.094 0.003 0.000 1.053 407 V CA 2.423 64.726 62.300 0.005 0.000 1.027 407 V CB -0.931 30.893 31.823 0.002 0.000 0.646 407 V HN 0.939 nan 8.190 nan 0.000 0.447 408 E N -0.205 119.996 120.200 0.002 0.000 2.371 408 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 408 E C 1.680 178.282 176.600 0.003 0.000 1.012 408 E CA 1.262 57.662 56.400 0.001 0.000 0.860 408 E CB 0.067 29.766 29.700 -0.002 0.000 0.811 408 E HN 0.688 nan 8.360 nan 0.000 0.502 409 E N -0.163 120.040 120.200 0.006 0.000 2.712 409 E HA 0.210 4.560 4.350 -0.000 0.000 0.221 409 E C -0.088 176.516 176.600 0.006 0.000 0.943 409 E CA 0.225 56.628 56.400 0.005 0.000 1.259 409 E CB 1.214 30.917 29.700 0.006 0.000 1.167 409 E HN 0.342 nan 8.360 nan 0.000 0.569 410 G N 0.604 109.409 108.800 0.008 0.000 2.756 410 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.678 410 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.678 410 G C -0.481 174.425 174.900 0.011 0.000 1.349 410 G CA -0.457 44.648 45.100 0.009 0.000 0.847 410 G HN 0.613 nan 8.290 nan 0.000 0.548 411 V N -2.332 117.588 119.914 0.011 0.000 3.001 411 V HA 0.997 5.116 4.120 -0.000 0.000 0.314 411 V C 0.570 176.673 176.094 0.014 0.000 1.099 411 V CA 0.186 62.494 62.300 0.013 0.000 0.989 411 V CB 1.425 33.256 31.823 0.013 0.000 1.040 411 V HN 2.524 nan 8.190 nan 0.000 0.434 412 V N -0.553 119.370 119.914 0.015 0.000 3.167 412 V HA 1.010 5.130 4.120 -0.000 0.000 0.310 412 V C 0.380 176.486 176.094 0.020 0.000 1.207 412 V CA -0.707 61.603 62.300 0.017 0.000 1.059 412 V CB 1.292 33.125 31.823 0.017 0.000 1.079 412 V HN 2.146 nan 8.190 nan 0.000 0.446 413 A N 1.006 123.841 122.820 0.024 0.000 2.524 413 A HA 0.629 4.949 4.320 -0.000 0.000 0.250 413 A C 0.964 178.562 177.584 0.024 0.000 1.078 413 A CA 0.590 52.643 52.037 0.027 0.000 0.761 413 A CB -0.653 18.369 19.000 0.037 0.000 1.012 413 A HN 2.086 nan 8.150 nan 0.000 0.500 414 G N 0.990 109.801 108.800 0.018 0.000 2.590 414 G HA2 0.483 4.443 3.960 -0.000 0.000 0.276 414 G HA3 0.483 4.443 3.960 -0.000 0.000 0.276 414 G C 1.244 176.156 174.900 0.019 0.000 1.337 414 G CA 0.131 45.240 45.100 0.015 0.000 1.030 414 G HN 2.319 nan 8.290 nan 0.000 0.534 415 G N -2.230 106.581 108.800 0.018 0.000 2.153 415 G HA2 0.195 4.155 3.960 -0.000 0.000 0.252 415 G HA3 0.195 4.155 3.960 -0.000 0.000 0.252 415 G C 1.491 176.414 174.900 0.038 0.000 0.994 415 G CA 1.033 46.151 45.100 0.029 0.000 0.698 415 G HN 2.521 nan 8.290 nan 0.000 0.521 416 G N -1.862 106.956 108.800 0.030 0.000 2.321 416 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.287 416 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.287 416 G C 1.735 176.656 174.900 0.035 0.000 1.018 416 G CA 1.797 46.915 45.100 0.030 0.000 0.855 416 G HN 2.158 nan 8.290 nan 0.000 0.507 417 V N -0.906 119.031 119.914 0.039 0.000 2.379 417 V HA 0.213 4.333 4.120 -0.000 0.000 0.245 417 V C 2.903 179.022 176.094 0.041 0.000 1.044 417 V CA 2.265 64.594 62.300 0.047 0.000 1.036 417 V CB -0.622 31.235 31.823 0.056 0.000 0.664 417 V HN 1.468 nan 8.190 nan 0.000 0.453 418 A N 0.481 123.322 122.820 0.035 0.000 1.909 418 A HA -0.286 4.034 4.320 -0.000 0.000 0.221 418 A C 2.183 179.782 177.584 0.025 0.000 1.223 418 A CA 2.737 54.792 52.037 0.029 0.000 0.658 418 A CB -1.078 17.936 19.000 0.023 0.000 0.831 418 A HN 0.585 nan 8.150 nan 0.000 0.462 419 L N -0.193 121.044 121.223 0.023 0.000 2.042 419 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 419 L C 2.418 179.301 176.870 0.022 0.000 1.076 419 L CA 1.454 56.306 54.840 0.019 0.000 0.749 419 L CB -0.499 41.571 42.059 0.018 0.000 0.893 419 L HN 0.421 nan 8.230 nan 0.000 0.432 420 I N -1.068 119.518 120.570 0.028 0.000 2.264 420 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 420 I C 2.490 178.625 176.117 0.030 0.000 1.111 420 I CA 1.015 62.333 61.300 0.030 0.000 1.382 420 I CB -0.771 37.252 38.000 0.039 0.000 1.060 420 I HN 0.326 nan 8.210 nan 0.000 0.418 421 R N 0.600 121.120 120.500 0.033 0.000 2.073 421 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 421 R C 2.354 178.667 176.300 0.021 0.000 1.120 421 R CA 1.314 57.433 56.100 0.031 0.000 0.967 421 R CB -1.223 29.099 30.300 0.036 0.000 0.862 421 R HN 0.449 nan 8.270 nan 0.000 0.436 422 V N -0.271 119.653 119.914 0.018 0.000 2.515 422 V HA -0.037 4.083 4.120 -0.000 0.000 0.250 422 V C 2.182 178.282 176.094 0.011 0.000 1.058 422 V CA 1.818 64.125 62.300 0.012 0.000 1.064 422 V CB -0.781 31.046 31.823 0.008 0.000 0.675 422 V HN 0.181 nan 8.190 nan 0.000 0.461 423 A N 1.610 124.438 122.820 0.012 0.000 1.948 423 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 423 A C 2.581 180.171 177.584 0.010 0.000 1.177 423 A CA 2.884 54.928 52.037 0.011 0.000 0.636 423 A CB -1.121 17.886 19.000 0.012 0.000 0.815 423 A HN 1.021 nan 8.150 nan 0.000 0.449 424 S N -0.497 115.211 115.700 0.013 0.000 2.406 424 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 424 S C 1.757 176.362 174.600 0.008 0.000 1.020 424 S CA 1.257 59.464 58.200 0.011 0.000 0.965 424 S CB -0.228 62.980 63.200 0.013 0.000 0.798 424 S HN 0.538 nan 8.310 nan 0.000 0.488 425 K N 1.211 121.616 120.400 0.009 0.000 2.152 425 K HA 0.128 4.448 4.320 -0.000 0.000 0.206 425 K C 1.295 177.897 176.600 0.005 0.000 1.048 425 K CA 1.099 57.390 56.287 0.006 0.000 0.933 425 K CB -0.368 32.136 32.500 0.007 0.000 0.721 425 K HN 0.416 nan 8.250 nan 0.000 0.447 426 L N -0.278 120.948 121.223 0.005 0.000 2.685 426 L HA 0.219 4.559 4.340 -0.000 0.000 0.233 426 L C 1.679 178.551 176.870 0.003 0.000 1.173 426 L CA -0.280 54.562 54.840 0.003 0.000 0.961 426 L CB -0.005 42.056 42.059 0.003 0.000 1.217 426 L HN 0.089 nan 8.230 nan 0.000 0.478 427 A N 0.011 122.833 122.820 0.004 0.000 2.024 427 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 427 A C 1.542 179.128 177.584 0.002 0.000 1.164 427 A CA 1.672 53.711 52.037 0.003 0.000 0.643 427 A CB -0.222 18.779 19.000 0.003 0.000 0.806 427 A HN 0.333 nan 8.150 nan 0.000 0.451 428 D N -0.998 119.403 120.400 0.002 0.000 2.342 428 D HA 0.203 4.843 4.640 -0.000 0.000 0.221 428 D C -0.259 176.041 176.300 0.001 0.000 1.101 428 D CA -0.137 53.863 54.000 0.001 0.000 0.837 428 D CB 0.037 40.837 40.800 0.001 0.000 0.938 428 D HN 0.260 nan 8.370 nan 0.000 0.508 429 L N 1.478 122.701 121.223 0.001 0.000 2.331 429 L HA 0.258 4.598 4.340 -0.000 0.000 0.278 429 L C 0.264 177.135 176.870 0.001 0.000 1.106 429 L CA 0.237 55.078 54.840 0.001 0.000 0.824 429 L CB 0.262 42.322 42.059 0.001 0.000 1.142 429 L HN -0.184 nan 8.230 nan 0.000 0.443 430 R N 2.653 123.153 120.500 0.001 0.000 2.905 430 R HA 0.749 5.089 4.340 -0.000 0.000 0.260 430 R C -0.323 175.978 176.300 0.001 0.000 1.086 430 R CA -0.632 55.469 56.100 0.001 0.000 0.978 430 R CB 1.484 31.785 30.300 0.001 0.000 1.215 430 R HN 0.776 nan 8.270 nan 0.000 0.480 431 G N -0.363 108.438 108.800 0.002 0.000 2.971 431 G HA2 0.216 4.176 3.960 -0.000 0.000 0.235 431 G HA3 0.216 4.176 3.960 -0.000 0.000 0.235 431 G C -0.116 174.785 174.900 0.002 0.000 1.351 431 G CA -0.363 44.738 45.100 0.002 0.000 1.039 431 G HN 0.447 nan 8.290 nan 0.000 0.563 432 Q N 0.078 119.879 119.800 0.002 0.000 2.403 432 Q HA 0.187 4.527 4.340 -0.000 0.000 0.203 432 Q C 0.357 176.358 176.000 0.002 0.000 0.932 432 Q CA 0.216 56.021 55.803 0.002 0.000 0.945 432 Q CB 0.073 28.813 28.738 0.002 0.000 1.045 432 Q HN 0.558 nan 8.270 nan 0.000 0.511 433 N N -1.513 117.189 118.700 0.002 0.000 3.355 433 N HA -0.044 4.696 4.740 -0.000 0.000 0.238 433 N C -0.026 175.486 175.510 0.002 0.000 1.466 433 N CA -0.332 52.719 53.050 0.002 0.000 0.882 433 N CB 0.864 39.352 38.487 0.002 0.000 1.406 433 N HN -0.148 nan 8.380 nan 0.000 0.500 434 E N 0.252 120.453 120.200 0.002 0.000 2.077 434 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 434 E C 0.587 177.188 176.600 0.002 0.000 0.989 434 E CA 1.930 58.331 56.400 0.002 0.000 0.800 434 E CB -0.276 29.425 29.700 0.001 0.000 0.746 434 E HN 0.532 nan 8.360 nan 0.000 0.452 435 D N 0.225 120.626 120.400 0.003 0.000 2.123 435 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 435 D C 1.876 178.178 176.300 0.004 0.000 0.992 435 D CA 1.114 55.116 54.000 0.003 0.000 0.833 435 D CB -0.286 40.516 40.800 0.004 0.000 0.954 435 D HN 0.396 nan 8.370 nan 0.000 0.455 436 Q N 0.018 119.820 119.800 0.004 0.000 2.226 436 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 436 Q C 1.698 177.700 176.000 0.003 0.000 0.975 436 Q CA 0.636 56.441 55.803 0.004 0.000 0.866 436 Q CB 0.044 28.784 28.738 0.004 0.000 0.915 436 Q HN 0.237 nan 8.270 nan 0.000 0.440 437 N N -0.140 118.562 118.700 0.003 0.000 2.106 437 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 437 N C 1.818 177.330 175.510 0.003 0.000 1.029 437 N CA 0.998 54.049 53.050 0.003 0.000 0.848 437 N CB -0.348 38.141 38.487 0.002 0.000 1.007 437 N HN 0.031 nan 8.380 nan 0.000 0.423 438 V N 0.933 120.849 119.914 0.003 0.000 2.332 438 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 438 V C 2.424 178.520 176.094 0.004 0.000 1.055 438 V CA 2.011 64.313 62.300 0.004 0.000 1.038 438 V CB -1.347 30.478 31.823 0.003 0.000 0.651 438 V HN 0.355 nan 8.190 nan 0.000 0.450 439 G N -0.101 108.702 108.800 0.005 0.000 2.469 439 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 439 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 439 G C 1.568 176.471 174.900 0.005 0.000 1.150 439 G CA 1.248 46.352 45.100 0.006 0.000 0.763 439 G HN 0.495 nan 8.290 nan 0.000 0.561 440 I N -0.040 120.533 120.570 0.004 0.000 2.133 440 I HA -0.104 4.066 4.170 -0.000 0.000 0.238 440 I C 2.781 178.900 176.117 0.004 0.000 1.074 440 I CA 1.208 62.511 61.300 0.004 0.000 1.342 440 I CB -0.141 37.861 38.000 0.003 0.000 1.053 440 I HN -0.002 nan 8.210 nan 0.000 0.404 441 K N 0.578 120.980 120.400 0.004 0.000 2.113 441 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 441 K C 1.899 178.502 176.600 0.005 0.000 1.047 441 K CA 1.087 57.376 56.287 0.004 0.000 0.928 441 K CB -0.701 31.801 32.500 0.004 0.000 0.716 441 K HN 0.127 nan 8.250 nan 0.000 0.446 442 V N 0.387 120.304 119.914 0.005 0.000 2.332 442 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 442 V C 2.164 178.262 176.094 0.007 0.000 1.055 442 V CA 2.121 64.425 62.300 0.007 0.000 1.038 442 V CB -0.695 31.133 31.823 0.007 0.000 0.651 442 V HN 0.416 nan 8.190 nan 0.000 0.450 443 A N -0.537 122.287 122.820 0.007 0.000 1.897 443 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 443 A C 2.170 179.758 177.584 0.007 0.000 1.181 443 A CA 1.441 53.482 52.037 0.007 0.000 0.620 443 A CB -0.450 18.553 19.000 0.006 0.000 0.821 443 A HN 0.499 nan 8.150 nan 0.000 0.443 444 L N -1.080 120.147 121.223 0.006 0.000 2.012 444 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 444 L C 2.788 179.663 176.870 0.008 0.000 1.073 444 L CA 1.944 56.788 54.840 0.007 0.000 0.748 444 L CB -0.495 41.568 42.059 0.006 0.000 0.891 444 L HN 0.390 nan 8.230 nan 0.000 0.431 445 R N -0.070 120.434 120.500 0.007 0.000 2.189 445 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 445 R C 2.168 178.473 176.300 0.008 0.000 1.074 445 R CA 0.995 57.099 56.100 0.007 0.000 0.991 445 R CB -0.048 30.255 30.300 0.006 0.000 0.883 445 R HN 0.366 nan 8.270 nan 0.000 0.457 446 A N -0.043 122.782 122.820 0.009 0.000 2.021 446 A HA -0.022 4.297 4.320 -0.000 0.000 0.216 446 A C 1.905 179.496 177.584 0.012 0.000 1.163 446 A CA 0.373 52.416 52.037 0.011 0.000 0.676 446 A CB -0.143 18.864 19.000 0.012 0.000 0.818 446 A HN 0.263 nan 8.150 nan 0.000 0.453 447 M N -0.058 119.548 119.600 0.011 0.000 2.435 447 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 447 M C 1.378 177.687 176.300 0.015 0.000 1.065 447 M CA 1.154 56.462 55.300 0.013 0.000 1.076 447 M CB -0.208 32.399 32.600 0.011 0.000 1.403 447 M HN 0.462 nan 8.290 nan 0.000 0.454 448 E N -0.425 119.783 120.200 0.014 0.000 2.482 448 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 448 E C 1.921 178.530 176.600 0.014 0.000 1.047 448 E CA 0.533 56.942 56.400 0.015 0.000 0.869 448 E CB 0.019 29.726 29.700 0.012 0.000 0.836 448 E HN 0.526 nan 8.360 nan 0.000 0.520 449 A N 2.138 124.966 122.820 0.014 0.000 1.930 449 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 449 A C -0.367 177.226 177.584 0.015 0.000 1.175 449 A CA 0.761 52.806 52.037 0.013 0.000 0.627 449 A CB -1.105 17.903 19.000 0.013 0.000 0.815 449 A HN 0.121 nan 8.150 nan 0.000 0.443 450 P HA -0.169 nan 4.420 nan 0.000 0.215 450 P C 1.777 179.092 177.300 0.023 0.000 1.157 450 P CA 0.751 63.864 63.100 0.021 0.000 0.868 450 P CB -0.125 31.588 31.700 0.023 0.000 0.788 451 L N -0.036 121.202 121.223 0.025 0.000 2.083 451 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 451 L C 2.010 178.892 176.870 0.019 0.000 1.083 451 L CA 2.051 56.910 54.840 0.032 0.000 0.752 451 L CB -0.829 41.251 42.059 0.035 0.000 0.899 451 L HN -0.030 nan 8.230 nan 0.000 0.433 452 R N -0.984 119.522 120.500 0.010 0.000 2.090 452 R HA -0.117 4.223 4.340 -0.000 0.000 0.228 452 R C 2.223 178.524 176.300 0.002 0.000 1.110 452 R CA 0.935 57.035 56.100 -0.001 0.000 0.973 452 R CB -0.151 30.149 30.300 -0.001 0.000 0.869 452 R HN 0.443 nan 8.270 nan 0.000 0.440 453 Q N 0.708 120.514 119.800 0.010 0.000 2.096 453 Q HA -0.016 4.324 4.340 -0.000 0.000 0.197 453 Q C 2.244 178.254 176.000 0.017 0.000 0.964 453 Q CA 1.084 56.894 55.803 0.011 0.000 0.838 453 Q CB -0.010 28.735 28.738 0.012 0.000 0.906 453 Q HN 0.381 nan 8.270 nan 0.000 0.444 454 I N 0.183 120.767 120.570 0.025 0.000 2.145 454 I HA -0.317 3.853 4.170 -0.000 0.000 0.244 454 I C 2.276 178.421 176.117 0.047 0.000 1.075 454 I CA 1.154 62.476 61.300 0.036 0.000 1.332 454 I CB -0.393 37.636 38.000 0.048 0.000 1.033 454 I HN -0.003 nan 8.210 nan 0.000 0.410 455 V N 0.471 120.408 119.914 0.038 0.000 2.407 455 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 455 V C 2.278 178.376 176.094 0.007 0.000 1.055 455 V CA 1.601 63.911 62.300 0.018 0.000 1.049 455 V CB -0.397 31.386 31.823 -0.067 0.000 0.662 455 V HN 0.371 nan 8.190 nan 0.000 0.455 456 L N 0.279 121.504 121.223 0.003 0.000 2.179 456 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 456 L C 1.897 178.771 176.870 0.007 0.000 1.096 456 L CA 1.794 56.634 54.840 0.000 0.000 0.779 456 L CB -0.722 41.337 42.059 -0.000 0.000 0.922 456 L HN 0.359 nan 8.230 nan 0.000 0.443 457 N N -2.005 116.702 118.700 0.012 0.000 2.550 457 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 457 N C 1.113 176.632 175.510 0.015 0.000 1.110 457 N CA 0.718 53.775 53.050 0.012 0.000 0.912 457 N CB -0.120 38.374 38.487 0.012 0.000 0.968 457 N HN 0.381 nan 8.380 nan 0.000 0.448 458 C N -0.250 119.064 119.300 0.023 0.000 2.791 458 C HA 0.306 4.766 4.460 -0.000 0.000 0.270 458 C C 1.656 176.658 174.990 0.020 0.000 1.257 458 C CA -0.125 58.910 59.018 0.028 0.000 1.699 458 C CB -0.877 26.899 27.740 0.060 0.000 1.904 458 C HN 0.617 nan 8.230 nan 0.000 0.603 459 G N 1.602 110.409 108.800 0.012 0.000 2.147 459 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 459 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 459 G C -0.320 174.582 174.900 0.004 0.000 1.005 459 G CA 0.183 45.287 45.100 0.007 0.000 0.713 459 G HN 0.628 nan 8.290 nan 0.000 0.515 460 E N -0.253 119.947 120.200 -0.000 0.000 2.299 460 E HA 0.446 4.796 4.350 -0.000 0.000 0.260 460 E C -0.388 176.191 176.600 -0.034 0.000 0.944 460 E CA -0.956 55.434 56.400 -0.016 0.000 0.815 460 E CB 1.182 30.869 29.700 -0.022 0.000 1.252 460 E HN 0.309 nan 8.360 nan 0.000 0.418 461 E N 2.021 122.194 120.200 -0.044 0.000 2.129 461 E HA 0.087 4.437 4.350 -0.000 0.000 0.283 461 E C -1.973 174.594 176.600 -0.055 0.000 1.080 461 E CA -1.541 54.837 56.400 -0.037 0.000 0.867 461 E CB 1.023 30.707 29.700 -0.028 0.000 1.056 461 E HN 0.266 nan 8.360 nan 0.000 0.404 462 P HA -0.153 nan 4.420 nan 0.000 0.212 462 P C 1.514 178.787 177.300 -0.045 0.000 1.179 462 P CA 1.002 64.071 63.100 -0.051 0.000 0.898 462 P CB 0.089 31.772 31.700 -0.028 0.000 0.775 463 S N 0.124 115.808 115.700 -0.027 0.000 2.426 463 S HA -0.253 4.217 4.470 -0.000 0.000 0.253 463 S C 2.066 176.651 174.600 -0.025 0.000 1.104 463 S CA 2.246 60.434 58.200 -0.020 0.000 1.158 463 S CB -2.171 61.021 63.200 -0.014 0.000 1.043 463 S HN -0.047 nan 8.310 nan 0.000 0.443 464 V N 1.481 121.376 119.914 -0.030 0.000 2.295 464 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 464 V C 2.629 178.705 176.094 -0.031 0.000 1.049 464 V CA 1.838 64.123 62.300 -0.025 0.000 1.024 464 V CB -0.799 31.013 31.823 -0.017 0.000 0.648 464 V HN 0.476 nan 8.190 nan 0.000 0.447 465 V N -0.012 119.857 119.914 -0.076 0.000 2.295 465 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 465 V C 2.688 178.765 176.094 -0.028 0.000 1.049 465 V CA 2.041 64.284 62.300 -0.096 0.000 1.024 465 V CB -1.056 30.541 31.823 -0.378 0.000 0.648 465 V HN 0.567 nan 8.190 nan 0.000 0.447 466 A N 0.382 123.182 122.820 -0.034 0.000 1.873 466 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 466 A C 2.032 179.616 177.584 0.001 0.000 1.193 466 A CA 2.347 54.382 52.037 -0.005 0.000 0.629 466 A CB -0.920 18.077 19.000 -0.005 0.000 0.826 466 A HN 0.593 nan 8.150 nan 0.000 0.447 467 N N -0.222 118.474 118.700 -0.008 0.000 2.069 467 N HA -0.191 4.548 4.740 -0.000 0.000 0.196 467 N C 1.971 177.473 175.510 -0.013 0.000 1.024 467 N CA 2.577 55.622 53.050 -0.008 0.000 0.869 467 N CB -0.979 37.500 38.487 -0.013 0.000 1.035 467 N HN 0.742 nan 8.380 nan 0.000 0.434 468 T N -1.853 112.678 114.554 -0.038 0.000 2.951 468 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 468 T C 1.961 176.646 174.700 -0.024 0.000 1.073 468 T CA 0.861 62.906 62.100 -0.091 0.000 1.134 468 T CB -0.497 68.221 68.868 -0.250 0.000 0.884 468 T HN -0.036 nan 8.240 nan 0.000 0.479 469 V N 1.550 121.473 119.914 0.015 0.000 2.548 469 V HA -0.034 4.086 4.120 -0.000 0.000 0.249 469 V C 2.708 178.880 176.094 0.130 0.000 1.055 469 V CA 1.591 63.946 62.300 0.092 0.000 1.065 469 V CB -0.480 31.391 31.823 0.080 0.000 0.681 469 V HN 0.529 nan 8.190 nan 0.000 0.462 470 K N 0.412 120.852 120.400 0.068 0.000 2.217 470 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 470 K C 2.189 178.815 176.600 0.043 0.000 1.051 470 K CA 1.094 57.412 56.287 0.053 0.000 0.952 470 K CB -0.442 32.075 32.500 0.029 0.000 0.736 470 K HN 0.539 nan 8.250 nan 0.000 0.453 471 G N 1.464 110.285 108.800 0.035 0.000 2.470 471 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 471 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 471 G C 0.794 175.682 174.900 -0.020 0.000 1.121 471 G CA 0.775 45.877 45.100 0.002 0.000 0.766 471 G HN 0.367 nan 8.290 nan 0.000 0.553 472 G N -1.058 107.763 108.800 0.035 0.000 2.531 472 G HA2 0.507 4.467 3.960 -0.000 0.000 0.281 472 G HA3 0.507 4.467 3.960 -0.000 0.000 0.281 472 G C -1.074 173.822 174.900 -0.007 0.000 1.382 472 G CA -0.423 44.628 45.100 -0.082 0.000 1.045 472 G HN 0.115 nan 8.290 nan 0.000 0.533 473 D N -2.129 118.255 120.400 -0.027 0.000 2.531 473 D HA 0.525 5.165 4.640 -0.000 0.000 0.244 473 D C 0.983 177.321 176.300 0.062 0.000 1.090 473 D CA 0.622 54.631 54.000 0.014 0.000 0.989 473 D CB 1.623 42.407 40.800 -0.027 0.000 1.433 473 D HN 0.814 nan 8.370 nan 0.000 0.492 474 G N 1.354 110.184 108.800 0.051 0.000 2.685 474 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.329 474 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.329 474 G C 0.383 175.336 174.900 0.088 0.000 1.271 474 G CA 0.662 45.796 45.100 0.056 0.000 1.003 474 G HN 0.638 nan 8.290 nan 0.000 0.549 475 N N -0.061 118.698 118.700 0.099 0.000 2.320 475 N HA 0.321 5.061 4.740 -0.000 0.000 0.237 475 N C -0.215 175.397 175.510 0.170 0.000 1.129 475 N CA -0.277 52.837 53.050 0.107 0.000 0.854 475 N CB 0.300 38.831 38.487 0.075 0.000 1.083 475 N HN 0.450 nan 8.380 nan 0.000 0.504 476 Y N 1.070 121.396 120.300 0.043 0.000 2.319 476 Y HA 0.508 5.058 4.550 -0.000 0.000 0.328 476 Y C 0.546 176.503 175.900 0.094 0.000 1.133 476 Y CA -0.051 58.087 58.100 0.064 0.000 1.265 476 Y CB 0.611 39.100 38.460 0.047 0.000 1.218 476 Y HN -0.002 nan 8.280 nan 0.000 0.508 477 G N 3.681 112.373 108.800 -0.180 0.000 2.682 477 G HA2 0.271 4.231 3.960 -0.000 0.000 0.303 477 G HA3 0.271 4.231 3.960 -0.000 0.000 0.303 477 G C -2.521 172.329 174.900 -0.082 0.000 1.341 477 G CA -0.908 44.122 45.100 -0.117 0.000 0.784 477 G HN 0.554 nan 8.290 nan 0.000 0.497 478 Y N 1.503 121.742 120.300 -0.102 0.000 2.331 478 Y HA 0.608 5.158 4.550 -0.000 0.000 0.338 478 Y C -0.203 175.591 175.900 -0.176 0.000 0.992 478 Y CA -1.488 56.498 58.100 -0.191 0.000 1.121 478 Y CB 1.590 39.949 38.460 -0.169 0.000 1.184 478 Y HN 0.443 nan 8.280 nan 0.000 0.469 479 N N 4.857 123.135 118.700 -0.703 0.000 2.500 479 N HA 0.234 4.974 4.740 -0.000 0.000 0.236 479 N C 0.290 175.288 175.510 -0.854 0.000 1.022 479 N CA 0.419 53.150 53.050 -0.532 0.000 0.935 479 N CB 1.364 39.648 38.487 -0.338 0.000 1.147 479 N HN 0.874 nan 8.380 nan 0.000 0.512 480 A N 3.774 126.252 122.820 -0.569 0.000 2.015 480 A HA -0.004 4.315 4.320 -0.000 0.000 0.219 480 A C 2.031 179.470 177.584 -0.242 0.000 1.163 480 A CA 1.620 53.435 52.037 -0.369 0.000 0.646 480 A CB -0.567 18.402 19.000 -0.051 0.000 0.806 480 A HN 0.724 nan 8.150 nan 0.000 0.448 481 A N -0.250 122.449 122.820 -0.203 0.000 1.855 481 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 481 A C 2.430 179.924 177.584 -0.149 0.000 1.191 481 A CA 2.454 54.411 52.037 -0.133 0.000 0.613 481 A CB -1.254 17.685 19.000 -0.103 0.000 0.829 481 A HN 0.806 nan 8.150 nan 0.000 0.442 482 T N -3.756 110.679 114.554 -0.198 0.000 3.081 482 T HA 0.166 4.516 4.350 -0.000 0.000 0.255 482 T C 0.460 175.038 174.700 -0.203 0.000 1.113 482 T CA 0.996 62.994 62.100 -0.169 0.000 1.082 482 T CB -0.298 68.481 68.868 -0.148 0.000 0.939 482 T HN 0.573 nan 8.240 nan 0.000 0.506 483 E N 1.184 121.184 120.200 -0.334 0.000 2.791 483 E HA -0.169 4.181 4.350 -0.000 0.000 0.271 483 E C -0.149 176.260 176.600 -0.317 0.000 1.044 483 E CA 0.945 57.150 56.400 -0.324 0.000 0.814 483 E CB -1.248 28.398 29.700 -0.091 0.000 1.400 483 E HN 0.972 nan 8.360 nan 0.000 0.423 484 E N -1.066 118.873 120.200 -0.434 0.000 2.416 484 E HA 0.502 4.852 4.350 -0.000 0.000 0.273 484 E C -0.643 175.735 176.600 -0.369 0.000 0.935 484 E CA -0.963 55.258 56.400 -0.298 0.000 0.784 484 E CB 0.976 30.628 29.700 -0.081 0.000 1.301 484 E HN 0.040 nan 8.360 nan 0.000 0.454 485 Y N -0.120 120.167 120.300 -0.020 0.000 2.334 485 Y HA 0.657 5.207 4.550 -0.000 0.000 0.325 485 Y C 1.096 176.948 175.900 -0.079 0.000 1.308 485 Y CA 0.835 58.865 58.100 -0.117 0.000 1.389 485 Y CB 1.660 40.026 38.460 -0.156 0.000 1.328 485 Y HN 0.872 nan 8.280 nan 0.000 0.532 486 G N 0.272 109.095 108.800 0.037 0.000 2.327 486 G HA2 0.009 3.969 3.960 -0.000 0.000 0.291 486 G HA3 0.009 3.969 3.960 -0.000 0.000 0.291 486 G C -2.044 172.940 174.900 0.140 0.000 1.290 486 G CA -1.170 44.014 45.100 0.139 0.000 0.857 486 G HN 0.559 nan 8.290 nan 0.000 0.520 487 N N 0.995 119.776 118.700 0.135 0.000 2.420 487 N HA 0.178 4.918 4.740 -0.000 0.000 0.249 487 N C 1.720 177.265 175.510 0.058 0.000 1.033 487 N CA -0.581 52.542 53.050 0.121 0.000 0.944 487 N CB 0.876 39.427 38.487 0.106 0.000 1.113 487 N HN 0.402 nan 8.380 nan 0.000 0.502 488 M N 3.294 122.922 119.600 0.046 0.000 2.080 488 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 488 M C 1.591 177.901 176.300 0.017 0.000 1.068 488 M CA 1.183 56.494 55.300 0.017 0.000 1.109 488 M CB -0.695 31.916 32.600 0.017 0.000 1.342 488 M HN 0.519 nan 8.290 nan 0.000 0.405 489 I N 0.502 121.088 120.570 0.027 0.000 2.361 489 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 489 I C 1.849 177.976 176.117 0.017 0.000 1.133 489 I CA 1.429 62.741 61.300 0.021 0.000 1.413 489 I CB -1.530 36.485 38.000 0.025 0.000 1.073 489 I HN 0.246 nan 8.210 nan 0.000 0.424 490 D N 0.609 121.022 120.400 0.023 0.000 2.149 490 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 490 D C 2.150 178.456 176.300 0.009 0.000 0.972 490 D CA 0.967 54.978 54.000 0.019 0.000 0.835 490 D CB -0.059 40.758 40.800 0.028 0.000 0.966 490 D HN 0.336 nan 8.370 nan 0.000 0.476 491 M N -0.655 118.947 119.600 0.003 0.000 2.628 491 M HA 0.213 4.693 4.480 -0.000 0.000 0.232 491 M C 0.993 177.284 176.300 -0.015 0.000 1.128 491 M CA 0.418 55.711 55.300 -0.012 0.000 1.040 491 M CB 0.378 32.960 32.600 -0.029 0.000 1.608 491 M HN -0.005 nan 8.290 nan 0.000 0.507 492 G N 2.284 111.080 108.800 -0.006 0.000 2.176 492 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 492 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 492 G C 0.036 174.931 174.900 -0.009 0.000 1.024 492 G CA -0.185 44.911 45.100 -0.005 0.000 0.755 492 G HN 0.582 nan 8.290 nan 0.000 0.507 493 I N 1.496 122.059 120.570 -0.011 0.000 2.257 493 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 493 I C 0.693 176.809 176.117 -0.001 0.000 1.137 493 I CA -0.348 60.945 61.300 -0.012 0.000 1.255 493 I CB 0.076 38.061 38.000 -0.024 0.000 1.485 493 I HN 0.028 nan 8.210 nan 0.000 0.534 494 L N 3.863 125.088 121.223 0.003 0.000 2.334 494 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 494 L C -0.419 176.457 176.870 0.011 0.000 1.036 494 L CA -0.796 54.049 54.840 0.009 0.000 0.807 494 L CB 1.229 43.294 42.059 0.010 0.000 1.231 494 L HN 0.307 nan 8.230 nan 0.000 0.438 495 D N 1.410 121.818 120.400 0.014 0.000 2.342 495 D HA 0.424 5.064 4.640 -0.000 0.000 0.243 495 D C -2.559 173.752 176.300 0.019 0.000 1.019 495 D CA -1.463 52.548 54.000 0.017 0.000 0.864 495 D CB 2.227 43.038 40.800 0.018 0.000 1.315 495 D HN 0.196 nan 8.370 nan 0.000 0.468 496 P HA 0.151 nan 4.420 nan 0.000 0.281 496 P C 0.696 178.008 177.300 0.020 0.000 1.252 496 P CA -0.234 62.879 63.100 0.022 0.000 0.778 496 P CB 0.759 32.477 31.700 0.029 0.000 0.895 497 T N 2.706 117.269 114.554 0.015 0.000 2.544 497 T HA -0.291 4.059 4.350 -0.000 0.000 0.264 497 T C 1.630 176.334 174.700 0.007 0.000 1.096 497 T CA 1.731 63.837 62.100 0.010 0.000 1.181 497 T CB -0.759 68.113 68.868 0.006 0.000 0.864 497 T HN 0.473 nan 8.240 nan 0.000 0.415 498 K N 0.731 121.136 120.400 0.009 0.000 2.117 498 K HA -0.250 4.070 4.320 -0.000 0.000 0.215 498 K C 2.343 178.956 176.600 0.021 0.000 1.053 498 K CA 2.214 58.508 56.287 0.012 0.000 0.935 498 K CB -0.671 31.841 32.500 0.022 0.000 0.719 498 K HN 0.337 nan 8.250 nan 0.000 0.460 499 V N -0.231 119.702 119.914 0.033 0.000 2.358 499 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 499 V C 1.778 177.889 176.094 0.030 0.000 1.047 499 V CA 2.505 64.830 62.300 0.043 0.000 1.035 499 V CB -0.729 31.126 31.823 0.053 0.000 0.658 499 V HN 0.468 nan 8.190 nan 0.000 0.452 500 T N 0.551 115.116 114.554 0.018 0.000 2.746 500 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 500 T C 2.048 176.743 174.700 -0.008 0.000 1.039 500 T CA 1.885 63.992 62.100 0.011 0.000 1.142 500 T CB -0.411 68.463 68.868 0.010 0.000 0.866 500 T HN 0.496 nan 8.240 nan 0.000 0.444 501 R N 1.103 121.590 120.500 -0.021 0.000 2.070 501 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 501 R C 2.594 178.828 176.300 -0.110 0.000 1.138 501 R CA 1.814 57.881 56.100 -0.054 0.000 0.936 501 R CB -0.775 29.495 30.300 -0.050 0.000 0.839 501 R HN 0.293 nan 8.270 nan 0.000 0.429 502 S N 0.850 116.484 115.700 -0.111 0.000 2.370 502 S HA -0.168 4.301 4.470 -0.000 0.000 0.226 502 S C 2.050 176.582 174.600 -0.115 0.000 1.033 502 S CA 1.314 59.384 58.200 -0.217 0.000 1.011 502 S CB -0.349 62.852 63.200 0.003 0.000 0.852 502 S HN 0.570 nan 8.310 nan 0.000 0.457 503 A N 1.760 124.593 122.820 0.023 0.000 1.873 503 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 503 A C 2.118 179.715 177.584 0.023 0.000 1.193 503 A CA 1.414 53.494 52.037 0.072 0.000 0.629 503 A CB -0.869 18.164 19.000 0.056 0.000 0.826 503 A HN 0.459 nan 8.150 nan 0.000 0.447 504 L N -0.549 120.657 121.223 -0.028 0.000 2.017 504 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 504 L C 2.716 179.546 176.870 -0.066 0.000 1.073 504 L CA 2.254 57.075 54.840 -0.032 0.000 0.745 504 L CB -0.810 41.229 42.059 -0.032 0.000 0.894 504 L HN 0.564 nan 8.230 nan 0.000 0.432 505 Q N -1.119 118.578 119.800 -0.172 0.000 2.096 505 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 505 Q C 2.016 177.927 176.000 -0.148 0.000 0.982 505 Q CA 1.942 57.611 55.803 -0.222 0.000 0.850 505 Q CB -0.240 28.273 28.738 -0.375 0.000 0.901 505 Q HN 0.499 nan 8.270 nan 0.000 0.422 506 Y N -0.018 120.290 120.300 0.014 0.000 2.263 506 Y HA -0.064 4.486 4.550 -0.000 0.000 0.292 506 Y C 2.377 178.285 175.900 0.013 0.000 1.130 506 Y CA 0.624 58.732 58.100 0.014 0.000 1.179 506 Y CB -0.854 37.615 38.460 0.015 0.000 0.998 506 Y HN 0.113 nan 8.280 nan 0.000 0.532 507 A N 0.205 123.122 122.820 0.162 0.000 1.902 507 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 507 A C 2.498 180.124 177.584 0.070 0.000 1.181 507 A CA 2.026 54.121 52.037 0.098 0.000 0.623 507 A CB -1.203 17.836 19.000 0.065 0.000 0.818 507 A HN 0.382 nan 8.150 nan 0.000 0.443 508 A N -0.766 122.084 122.820 0.050 0.000 1.877 508 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 508 A C 2.484 180.094 177.584 0.043 0.000 1.186 508 A CA 2.235 54.291 52.037 0.033 0.000 0.620 508 A CB -1.145 17.862 19.000 0.012 0.000 0.822 508 A HN 0.620 nan 8.150 nan 0.000 0.443 509 S N -0.563 115.174 115.700 0.061 0.000 2.365 509 S HA -0.181 4.289 4.470 -0.000 0.000 0.221 509 S C 1.943 176.582 174.600 0.066 0.000 1.037 509 S CA 2.127 60.370 58.200 0.072 0.000 1.060 509 S CB -0.712 62.559 63.200 0.118 0.000 0.974 509 S HN 0.328 nan 8.310 nan 0.000 0.427 510 V N 2.206 122.166 119.914 0.076 0.000 2.261 510 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 510 V C 2.904 179.023 176.094 0.041 0.000 1.047 510 V CA 1.980 64.312 62.300 0.053 0.000 1.015 510 V CB -1.429 30.424 31.823 0.050 0.000 0.642 510 V HN 0.662 nan 8.190 nan 0.000 0.446 511 A N 0.280 123.124 122.820 0.041 0.000 2.015 511 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 511 A C 2.364 179.964 177.584 0.027 0.000 1.163 511 A CA 1.618 53.674 52.037 0.031 0.000 0.646 511 A CB -1.074 17.943 19.000 0.029 0.000 0.806 511 A HN 0.543 nan 8.150 nan 0.000 0.448 512 G N 0.092 108.909 108.800 0.029 0.000 2.491 512 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 512 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 512 G C 1.555 176.469 174.900 0.023 0.000 1.180 512 G CA 1.155 46.269 45.100 0.024 0.000 0.774 512 G HN 0.435 nan 8.290 nan 0.000 0.562 513 L N -0.541 120.697 121.223 0.026 0.000 2.072 513 L HA 0.086 4.426 4.340 -0.000 0.000 0.205 513 L C 2.904 179.788 176.870 0.023 0.000 1.079 513 L CA 1.052 55.907 54.840 0.024 0.000 0.752 513 L CB -0.250 41.825 42.059 0.026 0.000 0.906 513 L HN 0.285 nan 8.230 nan 0.000 0.436 514 M N 0.372 119.986 119.600 0.023 0.000 2.202 514 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 514 M C 1.983 178.294 176.300 0.018 0.000 1.063 514 M CA 1.811 57.124 55.300 0.021 0.000 1.097 514 M CB -0.134 32.479 32.600 0.022 0.000 1.382 514 M HN 0.283 nan 8.290 nan 0.000 0.413 515 I N -2.384 118.197 120.570 0.018 0.000 3.176 515 I HA -0.033 4.137 4.170 -0.000 0.000 0.275 515 I C 1.402 177.528 176.117 0.015 0.000 1.298 515 I CA 1.058 62.367 61.300 0.015 0.000 1.445 515 I CB -1.045 36.963 38.000 0.014 0.000 1.075 515 I HN 0.261 nan 8.210 nan 0.000 0.482 516 T N -2.772 111.792 114.554 0.017 0.000 3.186 516 T HA 0.190 4.540 4.350 -0.000 0.000 0.257 516 T C 0.661 175.375 174.700 0.022 0.000 1.029 516 T CA -0.285 61.826 62.100 0.019 0.000 0.916 516 T CB -0.723 68.157 68.868 0.020 0.000 1.041 516 T HN 0.149 nan 8.240 nan 0.000 0.562 517 T N 2.711 117.277 114.554 0.020 0.000 2.814 517 T HA 0.255 4.605 4.350 -0.000 0.000 0.297 517 T C 0.795 175.511 174.700 0.026 0.000 0.956 517 T CA -0.049 62.063 62.100 0.021 0.000 1.123 517 T CB 1.290 70.165 68.868 0.013 0.000 0.902 517 T HN 0.448 nan 8.240 nan 0.000 0.528 518 E N 1.259 121.485 120.200 0.043 0.000 2.541 518 E HA 0.211 4.561 4.350 -0.000 0.000 0.219 518 E C -0.114 176.557 176.600 0.118 0.000 0.922 518 E CA -0.186 56.258 56.400 0.074 0.000 1.095 518 E CB 0.534 30.284 29.700 0.082 0.000 1.112 518 E HN 0.600 nan 8.360 nan 0.000 0.516 519 C N 0.333 119.667 119.300 0.056 0.000 3.082 519 C HA 0.751 5.210 4.460 -0.000 0.000 0.324 519 C C -1.639 173.295 174.990 -0.093 0.000 1.210 519 C CA -0.678 58.311 59.018 -0.048 0.000 1.366 519 C CB 0.561 28.322 27.740 0.035 0.000 1.756 519 C HN 0.301 nan 8.230 nan 0.000 0.485 520 M N 4.371 123.874 119.600 -0.162 0.000 2.393 520 M HA 0.617 5.097 4.480 -0.000 0.000 0.299 520 M C -1.234 175.105 176.300 0.064 0.000 1.103 520 M CA -0.585 54.712 55.300 -0.005 0.000 0.910 520 M CB 2.287 34.928 32.600 0.067 0.000 1.659 520 M HN 0.431 nan 8.290 nan 0.000 0.445 521 V N 1.498 121.458 119.914 0.077 0.000 2.447 521 V HA 0.677 4.797 4.120 -0.000 0.000 0.292 521 V C -0.395 175.704 176.094 0.009 0.000 1.021 521 V CA -0.321 62.000 62.300 0.036 0.000 0.850 521 V CB 1.829 33.648 31.823 -0.007 0.000 1.005 521 V HN 0.972 nan 8.190 nan 0.000 0.426 522 T N 2.135 116.659 114.554 -0.052 0.000 2.778 522 T HA 0.455 4.804 4.350 -0.000 0.000 0.293 522 T C -1.069 173.532 174.700 -0.165 0.000 1.144 522 T CA -0.521 61.487 62.100 -0.152 0.000 1.010 522 T CB 1.922 70.596 68.868 -0.324 0.000 1.325 522 T HN 0.549 nan 8.240 nan 0.000 0.515 523 D N 1.219 121.522 120.400 -0.161 0.000 2.378 523 D HA 0.280 4.920 4.640 -0.000 0.000 0.238 523 D C 0.111 176.320 176.300 -0.151 0.000 1.180 523 D CA 0.119 54.041 54.000 -0.129 0.000 0.895 523 D CB 0.291 41.031 40.800 -0.100 0.000 1.192 523 D HN 0.384 nan 8.370 nan 0.000 0.438 524 L N 2.596 123.762 121.223 -0.096 0.000 2.380 524 L HA 0.218 4.558 4.340 -0.000 0.000 0.273 524 L C -1.357 175.464 176.870 -0.080 0.000 1.138 524 L CA -1.528 53.263 54.840 -0.081 0.000 0.832 524 L CB 0.390 42.422 42.059 -0.045 0.000 1.124 524 L HN 0.352 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.063 63.100 -0.062 0.000 0.800 525 P CB 0.000 31.675 31.700 -0.041 0.000 0.726