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 1aon_1_L DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV 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 0.000 177.578 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 A N 3.366 126.181 122.820 -0.008 0.000 2.450 3 A HA 0.598 4.918 4.320 0.000 0.000 0.255 3 A C 0.386 177.964 177.584 -0.009 0.000 1.096 3 A CA 0.082 52.118 52.037 -0.002 0.000 0.778 3 A CB 0.181 19.182 19.000 0.002 0.000 1.031 3 A HN 0.604 nan 8.150 nan 0.000 0.494 4 K N 1.379 121.779 120.400 -0.001 0.000 2.132 4 K HA 0.438 4.758 4.320 0.000 0.000 0.241 4 K C -0.906 175.702 176.600 0.013 0.000 1.000 4 K CA -0.674 55.607 56.287 -0.010 0.000 0.911 4 K CB 1.057 33.556 32.500 -0.002 0.000 1.093 4 K HN 0.725 nan 8.250 nan 0.000 0.460 5 D N 0.661 121.061 120.400 0.000 0.000 2.308 5 D HA 0.360 5.000 4.640 0.000 0.000 0.242 5 D C -1.355 175.080 176.300 0.224 0.000 1.059 5 D CA -0.640 53.405 54.000 0.076 0.000 0.830 5 D CB 1.235 42.027 40.800 -0.014 0.000 1.161 5 D HN 0.064 nan 8.370 nan 0.000 0.494 6 V N 4.362 124.438 119.914 0.271 0.000 2.531 6 V HA 0.459 4.579 4.120 0.000 0.000 0.301 6 V C 0.112 176.321 176.094 0.192 0.000 1.034 6 V CA -0.804 61.636 62.300 0.234 0.000 0.865 6 V CB 1.835 33.729 31.823 0.119 0.000 0.995 6 V HN 0.415 nan 8.190 nan 0.000 0.424 7 K N 3.376 123.741 120.400 -0.058 0.000 2.281 7 K HA 0.793 5.113 4.320 0.000 0.000 0.242 7 K C -1.574 174.885 176.600 -0.234 0.000 0.971 7 K CA -0.565 55.640 56.287 -0.136 0.000 0.834 7 K CB 2.397 34.563 32.500 -0.556 0.000 1.181 7 K HN 0.416 nan 8.250 nan 0.000 0.435 8 F N -0.499 119.377 119.950 -0.122 0.000 2.631 8 F HA 0.407 4.934 4.527 0.000 0.000 0.328 8 F C 1.318 177.067 175.800 -0.086 0.000 1.067 8 F CA -0.129 57.821 58.000 -0.083 0.000 0.969 8 F CB 1.008 39.981 39.000 -0.046 0.000 1.332 8 F HN 0.809 nan 8.300 nan 0.000 0.490 9 G N 1.608 110.497 108.800 0.149 0.000 2.685 9 G HA2 -0.465 3.495 3.960 0.000 0.000 0.357 9 G HA3 -0.465 3.495 3.960 0.000 0.000 0.357 9 G C 1.123 176.027 174.900 0.007 0.000 1.272 9 G CA 1.376 46.513 45.100 0.061 0.000 0.972 9 G HN 0.682 nan 8.290 nan 0.000 0.550 10 N N 1.276 119.978 118.700 0.003 0.000 2.013 10 N HA -0.036 4.704 4.740 0.000 0.000 0.195 10 N C 1.849 177.333 175.510 -0.043 0.000 1.051 10 N CA 1.889 54.929 53.050 -0.018 0.000 0.851 10 N CB -0.718 37.762 38.487 -0.011 0.000 1.044 10 N HN 0.632 nan 8.380 nan 0.000 0.422 11 D N 0.125 120.503 120.400 -0.037 0.000 2.242 11 D HA -0.265 4.375 4.640 0.000 0.000 0.190 11 D C 1.702 177.900 176.300 -0.169 0.000 1.012 11 D CA 2.012 55.967 54.000 -0.076 0.000 0.875 11 D CB -0.444 40.329 40.800 -0.045 0.000 0.922 11 D HN 0.403 nan 8.370 nan 0.000 0.448 12 A N 0.301 123.015 122.820 -0.177 0.000 1.841 12 A HA -0.143 4.177 4.320 0.000 0.000 0.214 12 A C 2.149 179.628 177.584 -0.176 0.000 1.195 12 A CA 1.516 53.390 52.037 -0.272 0.000 0.611 12 A CB -0.459 18.410 19.000 -0.218 0.000 0.835 12 A HN 0.092 nan 8.150 nan 0.000 0.443 13 R N -0.558 119.882 120.500 -0.099 0.000 2.083 13 R HA -0.125 4.216 4.340 0.000 0.000 0.237 13 R C 2.077 178.347 176.300 -0.051 0.000 1.137 13 R CA 1.568 57.632 56.100 -0.060 0.000 0.951 13 R CB -0.830 29.448 30.300 -0.036 0.000 0.851 13 R HN 0.384 nan 8.270 nan 0.000 0.434 14 V N 1.805 121.688 119.914 -0.051 0.000 2.252 14 V HA -0.323 3.797 4.120 0.000 0.000 0.249 14 V C 2.386 178.461 176.094 -0.032 0.000 1.056 14 V CA 1.786 64.064 62.300 -0.035 0.000 1.022 14 V CB -0.455 31.349 31.823 -0.033 0.000 0.641 14 V HN 0.259 nan 8.190 nan 0.000 0.445 15 K N -0.562 119.805 120.400 -0.055 0.000 2.020 15 K HA -0.174 4.146 4.320 0.000 0.000 0.212 15 K C 2.142 178.746 176.600 0.005 0.000 1.050 15 K CA 1.876 58.151 56.287 -0.020 0.000 0.929 15 K CB -0.694 31.776 32.500 -0.051 0.000 0.714 15 K HN 0.421 nan 8.250 nan 0.000 0.443 16 M N 0.217 119.808 119.600 -0.015 0.000 2.144 16 M HA -0.225 4.255 4.480 0.000 0.000 0.260 16 M C 2.193 178.495 176.300 0.005 0.000 1.067 16 M CA 1.222 56.525 55.300 0.004 0.000 1.095 16 M CB -0.320 32.273 32.600 -0.012 0.000 1.365 16 M HN 0.068 nan 8.290 nan 0.000 0.406 17 L N 0.320 121.541 121.223 -0.003 0.000 2.007 17 L HA -0.135 4.205 4.340 0.000 0.000 0.205 17 L C 2.355 179.228 176.870 0.005 0.000 1.073 17 L CA 1.834 56.673 54.840 -0.000 0.000 0.744 17 L CB -0.593 41.463 42.059 -0.004 0.000 0.898 17 L HN 0.123 nan 8.230 nan 0.000 0.435 18 R N -0.307 120.197 120.500 0.007 0.000 2.094 18 R HA -0.157 4.183 4.340 0.000 0.000 0.239 18 R C 2.221 178.529 176.300 0.015 0.000 1.137 18 R CA 1.461 57.568 56.100 0.011 0.000 0.943 18 R CB -1.447 28.862 30.300 0.015 0.000 0.850 18 R HN 0.592 nan 8.270 nan 0.000 0.433 19 G N 0.998 109.811 108.800 0.022 0.000 2.631 19 G HA2 -0.360 3.600 3.960 0.000 0.000 0.219 19 G HA3 -0.360 3.600 3.960 0.000 0.000 0.219 19 G C 1.464 176.373 174.900 0.015 0.000 1.214 19 G CA 1.342 46.457 45.100 0.025 0.000 0.785 19 G HN 0.314 nan 8.290 nan 0.000 0.596 20 V N 1.210 121.132 119.914 0.012 0.000 2.231 20 V HA -0.296 3.824 4.120 0.000 0.000 0.248 20 V C 2.251 178.349 176.094 0.006 0.000 1.054 20 V CA 3.018 65.322 62.300 0.007 0.000 1.015 20 V CB -1.045 30.781 31.823 0.005 0.000 0.638 20 V HN 0.596 nan 8.190 nan 0.000 0.444 21 N N -0.374 118.329 118.700 0.006 0.000 2.064 21 N HA -0.257 4.483 4.740 0.000 0.000 0.200 21 N C 1.813 177.326 175.510 0.005 0.000 1.028 21 N CA 2.409 55.462 53.050 0.005 0.000 0.880 21 N CB -0.465 38.025 38.487 0.005 0.000 1.062 21 N HN 0.464 nan 8.380 nan 0.000 0.454 22 V N 2.050 121.967 119.914 0.006 0.000 2.222 22 V HA -0.292 3.828 4.120 0.000 0.000 0.252 22 V C 2.308 178.403 176.094 0.003 0.000 1.060 22 V CA 1.695 63.998 62.300 0.005 0.000 1.027 22 V CB -0.834 30.993 31.823 0.006 0.000 0.644 22 V HN 0.420 nan 8.190 nan 0.000 0.448 23 L N 0.157 121.382 121.223 0.003 0.000 1.976 23 L HA -0.288 4.052 4.340 0.000 0.000 0.223 23 L C 2.536 179.405 176.870 -0.000 0.000 1.081 23 L CA 3.132 57.972 54.840 -0.000 0.000 0.784 23 L CB -1.306 40.752 42.059 -0.001 0.000 0.896 23 L HN 0.411 nan 8.230 nan 0.000 0.438 24 A N -0.576 122.245 122.820 0.001 0.000 1.877 24 A HA -0.231 4.089 4.320 0.000 0.000 0.216 24 A C 1.875 179.460 177.584 0.002 0.000 1.186 24 A CA 1.766 53.804 52.037 0.001 0.000 0.620 24 A CB -0.693 18.308 19.000 0.003 0.000 0.822 24 A HN 0.590 nan 8.150 nan 0.000 0.443 25 D N -0.011 120.391 120.400 0.002 0.000 2.178 25 D HA -0.048 4.592 4.640 0.000 0.000 0.201 25 D C 2.104 178.405 176.300 0.001 0.000 0.980 25 D CA 1.419 55.420 54.000 0.002 0.000 0.842 25 D CB -0.235 40.567 40.800 0.003 0.000 0.948 25 D HN 0.460 nan 8.370 nan 0.000 0.472 26 A N 0.322 123.143 122.820 0.001 0.000 1.935 26 A HA -0.029 4.292 4.320 0.000 0.000 0.214 26 A C 2.268 179.851 177.584 -0.001 0.000 1.178 26 A CA 0.673 52.709 52.037 -0.000 0.000 0.640 26 A CB -0.335 18.665 19.000 -0.000 0.000 0.825 26 A HN 0.178 nan 8.150 nan 0.000 0.447 27 V N 0.930 120.843 119.914 -0.002 0.000 3.052 27 V HA -0.103 4.017 4.120 0.000 0.000 0.254 27 V C 2.321 178.413 176.094 -0.002 0.000 1.100 27 V CA 1.921 64.219 62.300 -0.003 0.000 1.112 27 V CB -0.453 31.368 31.823 -0.004 0.000 0.738 27 V HN 0.783 nan 8.190 nan 0.000 0.469 28 K N 0.823 121.223 120.400 -0.001 0.000 2.148 28 K HA -0.087 4.233 4.320 0.000 0.000 0.204 28 K C 1.737 178.336 176.600 -0.000 0.000 1.050 28 K CA 1.841 58.128 56.287 0.000 0.000 0.942 28 K CB -0.972 31.529 32.500 0.002 0.000 0.724 28 K HN 0.490 nan 8.250 nan 0.000 0.446 29 V N 0.402 120.316 119.914 -0.000 0.000 3.186 29 V HA -0.117 4.003 4.120 0.000 0.000 0.270 29 V C 1.666 177.759 176.094 -0.002 0.000 1.149 29 V CA 1.676 63.976 62.300 -0.000 0.000 1.160 29 V CB -1.322 30.501 31.823 0.000 0.000 0.758 29 V HN 0.556 nan 8.190 nan 0.000 0.516 30 T N -3.678 110.874 114.554 -0.003 0.000 3.214 30 T HA 0.319 4.669 4.350 0.000 0.000 0.264 30 T C 1.109 175.805 174.700 -0.007 0.000 1.012 30 T CA 0.219 62.316 62.100 -0.005 0.000 0.901 30 T CB 0.630 69.495 68.868 -0.005 0.000 1.070 30 T HN 0.309 nan 8.240 nan 0.000 0.561 31 L N 2.555 123.775 121.223 -0.006 0.000 1.993 31 L HA 0.450 4.790 4.340 0.000 0.000 0.206 31 L C 1.686 178.548 176.870 -0.014 0.000 1.074 31 L CA 1.451 56.286 54.840 -0.009 0.000 0.746 31 L CB -1.308 40.748 42.059 -0.005 0.000 0.896 31 L HN 0.438 nan 8.230 nan 0.000 0.435 32 G N -0.582 108.210 108.800 -0.014 0.000 2.785 32 G HA2 0.037 3.998 3.960 0.000 0.000 0.256 32 G HA3 0.037 3.998 3.960 0.000 0.000 0.256 32 G C -1.728 173.154 174.900 -0.029 0.000 1.248 32 G CA 0.161 45.247 45.100 -0.024 0.000 0.914 32 G HN 0.404 nan 8.290 nan 0.000 0.580 33 P HA 0.045 nan 4.420 nan 0.000 0.227 33 P C 0.547 177.826 177.300 -0.035 0.000 1.161 33 P CA 0.986 64.060 63.100 -0.042 0.000 0.788 33 P CB 0.436 32.099 31.700 -0.062 0.000 0.822 34 K N 0.768 121.149 120.400 -0.033 0.000 3.147 34 K HA 0.344 4.664 4.320 0.000 0.000 0.214 34 K C 0.770 177.362 176.600 -0.014 0.000 1.221 34 K CA -0.416 55.857 56.287 -0.023 0.000 1.117 34 K CB 0.619 33.106 32.500 -0.022 0.000 1.278 34 K HN 0.027 nan 8.250 nan 0.000 0.479 35 G N 0.801 109.592 108.800 -0.014 0.000 2.537 35 G HA2 0.204 4.164 3.960 0.000 0.000 0.273 35 G HA3 0.204 4.164 3.960 0.000 0.000 0.273 35 G C 0.081 174.977 174.900 -0.006 0.000 1.189 35 G CA -0.584 44.511 45.100 -0.009 0.000 0.881 35 G HN 0.169 nan 8.290 nan 0.000 0.535 36 R N -0.484 120.014 120.500 -0.004 0.000 2.541 36 R HA 0.273 4.613 4.340 0.000 0.000 0.263 36 R C 0.430 176.729 176.300 -0.003 0.000 1.112 36 R CA -0.547 55.551 56.100 -0.002 0.000 1.170 36 R CB 0.344 30.643 30.300 -0.001 0.000 1.167 36 R HN 0.860 nan 8.270 nan 0.000 0.582 37 N N -1.223 117.476 118.700 -0.002 0.000 2.362 37 N HA 0.536 5.276 4.740 0.000 0.000 0.299 37 N C -0.988 174.521 175.510 -0.001 0.000 1.170 37 N CA -0.868 52.181 53.050 -0.002 0.000 0.825 37 N CB 1.771 40.257 38.487 -0.002 0.000 1.299 37 N HN 0.042 nan 8.380 nan 0.000 0.502 38 V N 0.776 120.689 119.914 -0.001 0.000 2.815 38 V HA 0.389 4.509 4.120 0.000 0.000 0.314 38 V C -0.163 175.931 176.094 -0.000 0.000 1.064 38 V CA -0.833 61.467 62.300 -0.001 0.000 0.952 38 V CB 1.956 33.779 31.823 -0.001 0.000 1.020 38 V HN 0.485 nan 8.190 nan 0.000 0.439 39 V N 4.776 124.690 119.914 0.000 0.000 2.370 39 V HA 0.402 4.523 4.120 0.000 0.000 0.283 39 V C -0.532 175.563 176.094 0.001 0.000 1.023 39 V CA -0.541 61.759 62.300 0.001 0.000 0.857 39 V CB 1.457 33.281 31.823 0.001 0.000 0.985 39 V HN 0.497 nan 8.190 nan 0.000 0.443 40 L N 3.833 125.058 121.223 0.003 0.000 2.283 40 L HA 0.416 4.756 4.340 0.000 0.000 0.281 40 L C 0.073 176.947 176.870 0.006 0.000 1.033 40 L CA -0.185 54.657 54.840 0.004 0.000 0.848 40 L CB 0.735 42.796 42.059 0.005 0.000 1.226 40 L HN 0.666 nan 8.230 nan 0.000 0.429 41 D N 3.283 123.685 120.400 0.003 0.000 2.458 41 D HA 0.047 4.687 4.640 0.000 0.000 0.243 41 D C 0.030 176.336 176.300 0.010 0.000 1.146 41 D CA 0.631 54.633 54.000 0.002 0.000 0.877 41 D CB 0.929 41.725 40.800 -0.007 0.000 1.176 41 D HN 0.313 nan 8.370 nan 0.000 0.461 42 K N 1.896 122.308 120.400 0.020 0.000 2.123 42 K HA 0.257 4.577 4.320 0.000 0.000 0.259 42 K C 1.012 177.629 176.600 0.028 0.000 0.960 42 K CA -0.655 55.660 56.287 0.047 0.000 0.872 42 K CB 1.407 33.950 32.500 0.072 0.000 1.079 42 K HN 0.361 nan 8.250 nan 0.000 0.440 43 S N 1.690 117.414 115.700 0.040 0.000 2.348 43 S HA -0.055 4.416 4.470 0.000 0.000 0.221 43 S C 0.261 174.716 174.600 -0.242 0.000 1.033 43 S CA 1.175 59.289 58.200 -0.143 0.000 1.010 43 S CB -0.126 62.953 63.200 -0.201 0.000 0.891 43 S HN 0.383 nan 8.310 nan 0.000 0.442 44 F N 1.559 121.506 119.950 -0.006 0.000 2.404 44 F HA 0.621 5.148 4.527 0.000 0.000 0.354 44 F C 1.115 176.912 175.800 -0.004 0.000 1.122 44 F CA -0.116 57.881 58.000 -0.005 0.000 1.080 44 F CB 0.567 39.565 39.000 -0.004 0.000 1.131 44 F HN 0.417 nan 8.300 nan 0.000 0.471 45 G N 1.402 110.284 108.800 0.137 0.000 2.568 45 G HA2 0.155 4.115 3.960 0.000 0.000 0.222 45 G HA3 0.155 4.115 3.960 0.000 0.000 0.222 45 G C -0.561 174.368 174.900 0.049 0.000 1.321 45 G CA -0.654 44.497 45.100 0.085 0.000 0.893 45 G HN 1.082 nan 8.290 nan 0.000 0.569 46 A N 2.039 124.883 122.820 0.040 0.000 2.425 46 A HA 0.692 5.012 4.320 0.000 0.000 0.249 46 A C -0.570 177.029 177.584 0.025 0.000 1.084 46 A CA 0.124 52.177 52.037 0.025 0.000 0.781 46 A CB -0.152 18.860 19.000 0.020 0.000 1.019 46 A HN 0.913 nan 8.150 nan 0.000 0.490 47 P HA 0.151 nan 4.420 nan 0.000 0.272 47 P C -0.357 176.951 177.300 0.014 0.000 1.248 47 P CA 0.114 63.222 63.100 0.014 0.000 0.799 47 P CB 0.364 32.068 31.700 0.007 0.000 0.997 48 T N 0.831 115.392 114.554 0.012 0.000 2.792 48 T HA 0.530 4.880 4.350 0.000 0.000 0.280 48 T C 0.200 174.904 174.700 0.006 0.000 0.990 48 T CA -0.361 61.745 62.100 0.010 0.000 0.960 48 T CB 0.399 69.274 68.868 0.011 0.000 0.939 48 T HN 0.190 nan 8.240 nan 0.000 0.439 49 I N 2.531 123.104 120.570 0.005 0.000 2.392 49 I HA 0.664 4.834 4.170 0.000 0.000 0.295 49 I C 0.474 176.592 176.117 0.002 0.000 0.985 49 I CA -0.465 60.836 61.300 0.003 0.000 1.221 49 I CB 1.893 39.894 38.000 0.002 0.000 1.366 49 I HN 0.544 nan 8.210 nan 0.000 0.467 50 T N 3.837 118.392 114.554 0.000 0.000 2.786 50 T HA 0.333 4.683 4.350 0.000 0.000 0.316 50 T C -0.497 174.201 174.700 -0.002 0.000 1.503 50 T CA -0.645 61.454 62.100 -0.001 0.000 1.019 50 T CB 1.610 70.477 68.868 -0.000 0.000 1.415 50 T HN 0.703 nan 8.240 nan 0.000 0.496 51 K N 0.853 121.251 120.400 -0.003 0.000 2.447 51 K HA 0.217 4.537 4.320 0.000 0.000 0.205 51 K C -0.667 175.930 176.600 -0.005 0.000 1.059 51 K CA -0.303 55.982 56.287 -0.004 0.000 1.065 51 K CB 0.534 33.031 32.500 -0.006 0.000 0.885 51 K HN 0.454 nan 8.250 nan 0.000 0.545 52 D N 0.523 120.920 120.400 -0.005 0.000 2.352 52 D HA 0.084 4.724 4.640 0.000 0.000 0.245 52 D C 1.249 177.545 176.300 -0.006 0.000 1.224 52 D CA -0.051 53.945 54.000 -0.006 0.000 0.879 52 D CB 1.115 41.912 40.800 -0.005 0.000 1.057 52 D HN 0.197 nan 8.370 nan 0.000 0.491 53 G N 2.642 111.438 108.800 -0.008 0.000 2.476 53 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 53 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 53 G C 1.611 176.505 174.900 -0.009 0.000 1.164 53 G CA 0.876 45.971 45.100 -0.008 0.000 0.768 53 G HN 0.490 nan 8.290 nan 0.000 0.560 54 V N 0.966 120.874 119.914 -0.011 0.000 2.278 54 V HA -0.251 3.869 4.120 0.000 0.000 0.251 54 V C 3.154 179.242 176.094 -0.010 0.000 1.062 54 V CA 2.444 64.736 62.300 -0.013 0.000 1.038 54 V CB -0.749 31.065 31.823 -0.015 0.000 0.646 54 V HN 0.403 nan 8.190 nan 0.000 0.447 55 S N -0.540 115.156 115.700 -0.007 0.000 2.343 55 S HA -0.189 4.281 4.470 0.000 0.000 0.219 55 S C 1.971 176.568 174.600 -0.006 0.000 1.033 55 S CA 1.612 59.809 58.200 -0.006 0.000 1.014 55 S CB -0.366 62.832 63.200 -0.003 0.000 0.915 55 S HN 0.339 nan 8.310 nan 0.000 0.435 56 V N 2.403 122.314 119.914 -0.005 0.000 2.218 56 V HA -0.354 3.766 4.120 0.000 0.000 0.251 56 V C 2.661 178.752 176.094 -0.006 0.000 1.057 56 V CA 2.124 64.421 62.300 -0.005 0.000 1.022 56 V CB -1.474 30.347 31.823 -0.004 0.000 0.645 56 V HN 0.583 nan 8.190 nan 0.000 0.451 57 A N -0.110 122.706 122.820 -0.008 0.000 1.894 57 A HA -0.424 3.896 4.320 0.000 0.000 0.220 57 A C 2.331 179.909 177.584 -0.011 0.000 1.237 57 A CA 3.210 55.242 52.037 -0.010 0.000 0.660 57 A CB -0.928 18.064 19.000 -0.013 0.000 0.835 57 A HN 0.582 nan 8.150 nan 0.000 0.461 58 R N -0.682 119.811 120.500 -0.011 0.000 2.159 58 R HA -0.279 4.061 4.340 0.000 0.000 0.252 58 R C 1.964 178.257 176.300 -0.010 0.000 1.144 58 R CA 2.330 58.423 56.100 -0.012 0.000 0.961 58 R CB -0.320 29.974 30.300 -0.010 0.000 0.877 58 R HN 0.543 nan 8.270 nan 0.000 0.444 59 E N -0.044 120.152 120.200 -0.008 0.000 2.285 59 E HA 0.026 4.376 4.350 0.000 0.000 0.194 59 E C -0.025 176.572 176.600 -0.006 0.000 0.997 59 E CA 0.242 56.639 56.400 -0.006 0.000 0.845 59 E CB 0.120 29.818 29.700 -0.003 0.000 0.782 59 E HN 0.244 nan 8.360 nan 0.000 0.491 60 I N 2.106 122.673 120.570 -0.006 0.000 2.587 60 I HA 0.067 4.237 4.170 0.000 0.000 0.284 60 I C 0.209 176.322 176.117 -0.006 0.000 1.134 60 I CA 0.645 61.942 61.300 -0.005 0.000 1.410 60 I CB -0.094 37.904 38.000 -0.005 0.000 1.392 60 I HN 0.097 nan 8.210 nan 0.000 0.545 61 E N 7.540 127.737 120.200 -0.005 0.000 2.349 61 E HA 0.373 4.723 4.350 0.000 0.000 0.290 61 E C -1.722 174.875 176.600 -0.004 0.000 0.901 61 E CA -0.554 55.843 56.400 -0.006 0.000 0.800 61 E CB 1.327 31.022 29.700 -0.009 0.000 1.303 61 E HN 0.468 nan 8.360 nan 0.000 0.397 62 L N 3.449 124.671 121.223 -0.001 0.000 2.421 62 L HA 0.358 4.698 4.340 0.000 0.000 0.263 62 L C 1.650 178.518 176.870 -0.002 0.000 1.122 62 L CA -0.372 54.469 54.840 0.002 0.000 0.804 62 L CB 1.035 43.101 42.059 0.012 0.000 1.150 62 L HN 0.735 nan 8.230 nan 0.000 0.457 63 E N 0.717 120.917 120.200 -0.001 0.000 2.046 63 E HA -0.169 4.181 4.350 0.000 0.000 0.190 63 E C 0.532 177.127 176.600 -0.008 0.000 0.982 63 E CA 0.413 56.809 56.400 -0.007 0.000 0.800 63 E CB 0.240 29.937 29.700 -0.004 0.000 0.756 63 E HN 0.681 nan 8.360 nan 0.000 0.449 64 D N 1.676 122.083 120.400 0.011 0.000 2.349 64 D HA -0.028 4.613 4.640 0.000 0.000 0.266 64 D C -0.496 175.816 176.300 0.020 0.000 1.293 64 D CA 0.216 54.233 54.000 0.028 0.000 0.926 64 D CB 0.474 41.312 40.800 0.064 0.000 1.090 64 D HN 0.077 nan 8.370 nan 0.000 0.502 65 K N 2.581 122.946 120.400 -0.057 0.000 2.229 65 K HA 0.021 4.341 4.320 0.000 0.000 0.250 65 K C 0.756 177.358 176.600 0.003 0.000 1.016 65 K CA -0.422 55.790 56.287 -0.125 0.000 0.866 65 K CB 0.522 32.836 32.500 -0.310 0.000 1.028 65 K HN 0.364 nan 8.250 nan 0.000 0.514 66 F N -1.239 118.702 119.950 -0.015 0.000 2.537 66 F HA -0.375 4.152 4.527 0.000 0.000 0.730 66 F C 1.775 177.566 175.800 -0.014 0.000 0.486 66 F CA 1.989 59.979 58.000 -0.017 0.000 0.752 66 F CB -1.334 37.659 39.000 -0.012 0.000 1.614 66 F HN 0.721 nan 8.300 nan 0.000 0.273 67 E N -0.011 120.322 120.200 0.222 0.000 2.077 67 E HA -0.225 4.125 4.350 0.000 0.000 0.193 67 E C 1.610 178.253 176.600 0.072 0.000 0.989 67 E CA 1.401 57.866 56.400 0.108 0.000 0.800 67 E CB -0.375 29.373 29.700 0.080 0.000 0.746 67 E HN 0.557 nan 8.360 nan 0.000 0.452 68 N N 0.491 119.227 118.700 0.060 0.000 2.166 68 N HA -0.165 4.575 4.740 0.000 0.000 0.186 68 N C 1.764 177.290 175.510 0.028 0.000 1.019 68 N CA 1.284 54.351 53.050 0.028 0.000 0.856 68 N CB 0.049 38.540 38.487 0.006 0.000 0.993 68 N HN 0.085 nan 8.380 nan 0.000 0.426 69 M N -0.569 119.061 119.600 0.049 0.000 2.059 69 M HA -0.032 4.448 4.480 0.000 0.000 0.259 69 M C 2.370 178.691 176.300 0.035 0.000 1.072 69 M CA 1.716 57.042 55.300 0.044 0.000 1.117 69 M CB -1.055 31.593 32.600 0.080 0.000 1.320 69 M HN 0.291 nan 8.290 nan 0.000 0.408 70 G N 0.456 109.284 108.800 0.047 0.000 2.606 70 G HA2 -0.286 3.675 3.960 0.000 0.000 0.221 70 G HA3 -0.286 3.675 3.960 0.000 0.000 0.221 70 G C 1.623 176.531 174.900 0.014 0.000 1.152 70 G CA 1.719 46.835 45.100 0.027 0.000 0.765 70 G HN 0.574 nan 8.290 nan 0.000 0.595 71 A N -0.186 122.643 122.820 0.014 0.000 1.835 71 A HA -0.095 4.225 4.320 0.000 0.000 0.215 71 A C 2.417 179.999 177.584 -0.004 0.000 1.199 71 A CA 2.207 54.247 52.037 0.004 0.000 0.615 71 A CB -0.608 18.395 19.000 0.005 0.000 0.838 71 A HN 0.320 nan 8.150 nan 0.000 0.444 72 Q N -0.452 119.346 119.800 -0.004 0.000 2.133 72 Q HA -0.243 4.097 4.340 0.000 0.000 0.208 72 Q C 2.171 178.159 176.000 -0.019 0.000 0.991 72 Q CA 1.971 57.766 55.803 -0.012 0.000 0.867 72 Q CB -0.685 28.047 28.738 -0.010 0.000 0.911 72 Q HN 0.796 nan 8.270 nan 0.000 0.417 73 M N -0.392 119.200 119.600 -0.013 0.000 2.073 73 M HA -0.192 4.288 4.480 0.000 0.000 0.258 73 M C 2.310 178.591 176.300 -0.032 0.000 1.070 73 M CA 1.440 56.728 55.300 -0.019 0.000 1.103 73 M CB -0.550 32.045 32.600 -0.007 0.000 1.321 73 M HN 0.002 nan 8.290 nan 0.000 0.405 74 V N 0.516 120.416 119.914 -0.024 0.000 2.223 74 V HA -0.292 3.828 4.120 0.000 0.000 0.244 74 V C 2.191 178.257 176.094 -0.046 0.000 1.045 74 V CA 1.984 64.266 62.300 -0.029 0.000 1.000 74 V CB -0.843 30.972 31.823 -0.014 0.000 0.635 74 V HN 0.432 nan 8.190 nan 0.000 0.445 75 K N -0.187 120.191 120.400 -0.036 0.000 2.127 75 K HA -0.341 3.979 4.320 0.000 0.000 0.212 75 K C 2.176 178.736 176.600 -0.066 0.000 1.050 75 K CA 2.374 58.636 56.287 -0.042 0.000 0.929 75 K CB -0.336 32.145 32.500 -0.030 0.000 0.715 75 K HN 0.621 nan 8.250 nan 0.000 0.457 76 E N 0.677 120.835 120.200 -0.069 0.000 2.012 76 E HA -0.216 4.134 4.350 0.000 0.000 0.197 76 E C 2.040 178.542 176.600 -0.163 0.000 1.007 76 E CA 1.635 57.979 56.400 -0.093 0.000 0.816 76 E CB -0.108 29.544 29.700 -0.079 0.000 0.762 76 E HN 0.160 nan 8.360 nan 0.000 0.451 77 V N 0.669 120.465 119.914 -0.197 0.000 2.490 77 V HA -0.180 3.940 4.120 0.000 0.000 0.250 77 V C 2.171 178.025 176.094 -0.400 0.000 1.061 77 V CA 2.074 64.145 62.300 -0.381 0.000 1.064 77 V CB -0.399 31.245 31.823 -0.298 0.000 0.670 77 V HN 0.472 nan 8.190 nan 0.000 0.461 78 A N -0.991 121.718 122.820 -0.185 0.000 2.015 78 A HA -0.163 4.157 4.320 0.000 0.000 0.219 78 A C 2.515 180.040 177.584 -0.098 0.000 1.163 78 A CA 2.035 54.012 52.037 -0.100 0.000 0.646 78 A CB -0.710 18.262 19.000 -0.047 0.000 0.806 78 A HN 0.615 nan 8.150 nan 0.000 0.448 79 S N -0.344 115.283 115.700 -0.122 0.000 2.362 79 S HA -0.131 4.339 4.470 0.000 0.000 0.221 79 S C 2.007 176.542 174.600 -0.107 0.000 1.032 79 S CA 1.401 59.547 58.200 -0.090 0.000 0.973 79 S CB -0.314 62.841 63.200 -0.075 0.000 0.849 79 S HN 0.579 nan 8.310 nan 0.000 0.465 80 K N 1.200 121.472 120.400 -0.212 0.000 2.089 80 K HA -0.157 4.163 4.320 0.000 0.000 0.210 80 K C 2.345 178.922 176.600 -0.037 0.000 1.048 80 K CA 1.294 57.444 56.287 -0.227 0.000 0.926 80 K CB -0.562 31.596 32.500 -0.570 0.000 0.714 80 K HN 0.472 nan 8.250 nan 0.000 0.448 81 A N 2.535 125.320 122.820 -0.058 0.000 1.842 81 A HA -0.292 4.028 4.320 0.000 0.000 0.217 81 A C 2.083 179.757 177.584 0.151 0.000 1.206 81 A CA 2.042 54.281 52.037 0.336 0.000 0.630 81 A CB -1.012 18.155 19.000 0.280 0.000 0.839 81 A HN 0.393 nan 8.150 nan 0.000 0.447 82 N N 0.230 118.958 118.700 0.046 0.000 2.091 82 N HA -0.235 4.505 4.740 0.000 0.000 0.193 82 N C 1.210 176.714 175.510 -0.010 0.000 1.021 82 N CA 2.152 55.196 53.050 -0.010 0.000 0.862 82 N CB -0.572 37.890 38.487 -0.042 0.000 1.018 82 N HN 0.413 nan 8.380 nan 0.000 0.429 83 D N 0.255 120.661 120.400 0.011 0.000 2.149 83 D HA -0.126 4.514 4.640 0.000 0.000 0.194 83 D C 0.727 177.059 176.300 0.053 0.000 1.001 83 D CA 1.569 55.583 54.000 0.024 0.000 0.849 83 D CB -0.321 40.491 40.800 0.021 0.000 0.939 83 D HN 0.458 nan 8.370 nan 0.000 0.449 84 A N -1.392 121.484 122.820 0.094 0.000 2.842 84 A HA 0.677 4.997 4.320 0.000 0.000 0.298 84 A C 0.880 178.502 177.584 0.062 0.000 1.293 84 A CA 0.530 52.621 52.037 0.090 0.000 0.959 84 A CB 0.354 19.428 19.000 0.124 0.000 1.119 84 A HN 0.136 nan 8.150 nan 0.000 0.564 85 A N -2.557 120.285 122.820 0.037 0.000 2.558 85 A HA 0.447 4.767 4.320 0.000 0.000 0.153 85 A C 1.512 179.078 177.584 -0.030 0.000 1.751 85 A CA 0.847 52.894 52.037 0.017 0.000 1.222 85 A CB -0.665 18.346 19.000 0.020 0.000 1.413 85 A HN 1.989 nan 8.150 nan 0.000 0.398 86 G N -0.853 107.873 108.800 -0.123 0.000 2.176 86 G HA2 -0.140 3.820 3.960 0.000 0.000 0.253 86 G HA3 -0.140 3.820 3.960 0.000 0.000 0.253 86 G C -0.115 174.632 174.900 -0.255 0.000 0.979 86 G CA 0.945 45.820 45.100 -0.375 0.000 0.641 86 G HN 1.115 nan 8.290 nan 0.000 0.530 87 D N -3.184 117.146 120.400 -0.116 0.000 2.827 87 D HA 0.483 5.123 4.640 0.000 0.000 0.336 87 D C 1.081 177.365 176.300 -0.026 0.000 1.374 87 D CA 1.177 55.135 54.000 -0.070 0.000 0.794 87 D CB 0.393 41.162 40.800 -0.053 0.000 1.364 87 D HN 1.345 nan 8.370 nan 0.000 0.464 88 G N -0.507 108.284 108.800 -0.014 0.000 2.258 88 G HA2 -0.344 3.616 3.960 0.000 0.000 0.233 88 G HA3 -0.344 3.616 3.960 0.000 0.000 0.233 88 G C 1.181 176.086 174.900 0.009 0.000 1.006 88 G CA 1.282 46.386 45.100 0.005 0.000 0.620 88 G HN 0.605 nan 8.290 nan 0.000 0.511 89 T N 1.277 115.830 114.554 -0.001 0.000 2.616 89 T HA -0.314 4.036 4.350 0.000 0.000 0.261 89 T C 2.370 177.067 174.700 -0.004 0.000 1.105 89 T CA 3.102 65.198 62.100 -0.007 0.000 1.159 89 T CB -1.027 67.828 68.868 -0.021 0.000 0.856 89 T HN 0.648 nan 8.240 nan 0.000 0.449 90 T N 1.668 116.218 114.554 -0.006 0.000 2.614 90 T HA -0.125 4.225 4.350 0.000 0.000 0.263 90 T C 2.318 177.019 174.700 0.003 0.000 1.055 90 T CA 1.836 63.934 62.100 -0.004 0.000 1.162 90 T CB -1.066 67.798 68.868 -0.006 0.000 0.863 90 T HN 0.457 nan 8.240 nan 0.000 0.414 91 T N 2.388 116.945 114.554 0.004 0.000 2.624 91 T HA -0.250 4.100 4.350 0.000 0.000 0.266 91 T C 2.318 177.029 174.700 0.018 0.000 1.050 91 T CA 1.696 63.802 62.100 0.009 0.000 1.163 91 T CB -0.880 67.993 68.868 0.009 0.000 0.861 91 T HN 0.472 nan 8.240 nan 0.000 0.443 92 A N 1.133 123.970 122.820 0.028 0.000 1.903 92 A HA -0.221 4.099 4.320 0.000 0.000 0.219 92 A C 2.588 180.190 177.584 0.029 0.000 1.191 92 A CA 2.570 54.633 52.037 0.044 0.000 0.638 92 A CB -1.485 17.555 19.000 0.067 0.000 0.823 92 A HN 0.531 nan 8.150 nan 0.000 0.451 93 T N -0.173 114.389 114.554 0.015 0.000 2.652 93 T HA -0.164 4.186 4.350 0.000 0.000 0.267 93 T C 1.909 176.615 174.700 0.009 0.000 1.039 93 T CA 1.828 63.933 62.100 0.007 0.000 1.153 93 T CB -0.678 68.190 68.868 -0.000 0.000 0.863 93 T HN 0.205 nan 8.240 nan 0.000 0.428 94 V N 1.640 121.560 119.914 0.009 0.000 2.252 94 V HA -0.213 3.908 4.120 0.000 0.000 0.249 94 V C 2.519 178.619 176.094 0.011 0.000 1.056 94 V CA 1.785 64.090 62.300 0.009 0.000 1.022 94 V CB -0.890 30.938 31.823 0.008 0.000 0.641 94 V HN 0.408 nan 8.190 nan 0.000 0.445 95 L N -0.039 121.193 121.223 0.015 0.000 1.994 95 L HA -0.175 4.166 4.340 0.000 0.000 0.208 95 L C 2.820 179.701 176.870 0.018 0.000 1.071 95 L CA 1.656 56.507 54.840 0.018 0.000 0.745 95 L CB -1.018 41.055 42.059 0.023 0.000 0.892 95 L HN 0.356 nan 8.230 nan 0.000 0.431 96 A N -0.307 122.526 122.820 0.022 0.000 1.906 96 A HA -0.411 3.909 4.320 0.000 0.000 0.222 96 A C 2.250 179.842 177.584 0.014 0.000 1.282 96 A CA 2.669 54.718 52.037 0.020 0.000 0.675 96 A CB -1.008 18.002 19.000 0.017 0.000 0.838 96 A HN 0.568 nan 8.150 nan 0.000 0.469 97 Q N -0.949 118.858 119.800 0.011 0.000 1.956 97 Q HA -0.185 4.155 4.340 0.000 0.000 0.208 97 Q C 2.286 178.291 176.000 0.008 0.000 0.998 97 Q CA 2.261 58.068 55.803 0.008 0.000 0.855 97 Q CB -0.504 28.238 28.738 0.007 0.000 0.928 97 Q HN 0.656 nan 8.270 nan 0.000 0.418 98 A N 0.958 123.784 122.820 0.009 0.000 1.900 98 A HA -0.321 3.999 4.320 0.000 0.000 0.225 98 A C 2.009 179.598 177.584 0.009 0.000 1.414 98 A CA 2.489 54.532 52.037 0.009 0.000 0.702 98 A CB -1.400 17.606 19.000 0.010 0.000 0.845 98 A HN 0.575 nan 8.150 nan 0.000 0.478 99 I N -0.536 120.041 120.570 0.011 0.000 2.058 99 I HA -0.286 3.885 4.170 0.000 0.000 0.235 99 I C 2.404 178.526 176.117 0.009 0.000 1.053 99 I CA 1.844 63.150 61.300 0.011 0.000 1.313 99 I CB -0.636 37.372 38.000 0.014 0.000 1.039 99 I HN 0.390 nan 8.210 nan 0.000 0.396 100 I N 0.697 121.273 120.570 0.009 0.000 2.147 100 I HA -0.401 3.769 4.170 0.000 0.000 0.245 100 I C 2.608 178.728 176.117 0.004 0.000 1.059 100 I CA 2.087 63.391 61.300 0.006 0.000 1.320 100 I CB -1.106 36.897 38.000 0.006 0.000 1.021 100 I HN 0.395 nan 8.210 nan 0.000 0.415 101 T N 0.321 114.878 114.554 0.005 0.000 2.580 101 T HA -0.196 4.154 4.350 0.000 0.000 0.265 101 T C 1.795 176.497 174.700 0.003 0.000 1.063 101 T CA 1.597 63.699 62.100 0.003 0.000 1.170 101 T CB -0.292 68.578 68.868 0.004 0.000 0.863 101 T HN 0.338 nan 8.240 nan 0.000 0.418 102 E N 0.901 121.104 120.200 0.004 0.000 2.012 102 E HA -0.081 4.269 4.350 0.000 0.000 0.197 102 E C 2.670 179.272 176.600 0.003 0.000 1.007 102 E CA 1.447 57.849 56.400 0.004 0.000 0.816 102 E CB -1.239 28.464 29.700 0.004 0.000 0.762 102 E HN 0.557 nan 8.360 nan 0.000 0.451 103 G N 1.289 110.091 108.800 0.004 0.000 2.550 103 G HA2 -0.266 3.694 3.960 0.000 0.000 0.222 103 G HA3 -0.266 3.694 3.960 0.000 0.000 0.222 103 G C 1.523 176.424 174.900 0.002 0.000 1.113 103 G CA 0.874 45.976 45.100 0.004 0.000 0.748 103 G HN 0.158 nan 8.290 nan 0.000 0.585 104 L N -0.090 121.134 121.223 0.001 0.000 2.313 104 L HA 0.233 4.573 4.340 0.000 0.000 0.214 104 L C 2.614 179.484 176.870 -0.001 0.000 1.119 104 L CA 1.206 56.046 54.840 -0.001 0.000 0.809 104 L CB -0.199 41.859 42.059 -0.002 0.000 0.933 104 L HN 0.181 nan 8.230 nan 0.000 0.449 105 K N -1.096 119.304 120.400 -0.000 0.000 2.044 105 K HA -0.008 4.312 4.320 0.000 0.000 0.204 105 K C 2.132 178.732 176.600 0.000 0.000 1.049 105 K CA 1.058 57.345 56.287 -0.000 0.000 0.945 105 K CB -0.285 32.215 32.500 0.001 0.000 0.724 105 K HN 0.289 nan 8.250 nan 0.000 0.440 106 A N 1.823 124.644 122.820 0.001 0.000 1.869 106 A HA -0.225 4.095 4.320 0.000 0.000 0.218 106 A C 2.470 180.054 177.584 0.001 0.000 1.203 106 A CA 2.587 54.625 52.037 0.001 0.000 0.638 106 A CB -1.394 17.607 19.000 0.002 0.000 0.831 106 A HN 0.203 nan 8.150 nan 0.000 0.450 107 V N -1.905 118.009 119.914 0.001 0.000 2.231 107 V HA -0.253 3.867 4.120 0.000 0.000 0.250 107 V C 2.592 178.686 176.094 0.001 0.000 1.058 107 V CA 2.536 64.837 62.300 0.001 0.000 1.022 107 V CB -1.818 30.006 31.823 0.001 0.000 0.640 107 V HN 0.741 nan 8.190 nan 0.000 0.445 108 A N 0.356 123.176 122.820 -0.001 0.000 2.125 108 A HA 0.223 4.543 4.320 0.000 0.000 0.219 108 A C 2.336 179.920 177.584 -0.001 0.000 1.156 108 A CA 1.958 53.994 52.037 -0.002 0.000 0.671 108 A CB -0.873 18.125 19.000 -0.003 0.000 0.794 108 A HN 1.118 nan 8.150 nan 0.000 0.459 109 A N -2.171 120.649 122.820 -0.000 0.000 2.123 109 A HA 0.408 4.728 4.320 0.000 0.000 0.214 109 A C 1.803 179.387 177.584 -0.000 0.000 1.152 109 A CA 1.514 53.551 52.037 -0.000 0.000 0.728 109 A CB -0.395 18.605 19.000 0.000 0.000 0.814 109 A HN 1.646 nan 8.150 nan 0.000 0.464 110 G N -2.365 106.435 108.800 0.000 0.000 2.421 110 G HA2 -0.139 3.821 3.960 0.000 0.000 0.188 110 G HA3 -0.139 3.821 3.960 0.000 0.000 0.188 110 G C 0.243 175.144 174.900 0.001 0.000 1.001 110 G CA -0.014 45.086 45.100 0.000 0.000 0.693 110 G HN 0.273 nan 8.290 nan 0.000 0.479 111 M N 1.391 120.992 119.600 0.001 0.000 2.232 111 M HA 0.258 4.738 4.480 0.000 0.000 0.321 111 M C 0.730 177.031 176.300 0.003 0.000 1.101 111 M CA -0.286 55.016 55.300 0.002 0.000 1.181 111 M CB 0.333 32.935 32.600 0.002 0.000 1.432 111 M HN 0.244 nan 8.290 nan 0.000 0.457 112 N N 2.181 120.883 118.700 0.003 0.000 2.442 112 N HA 0.114 4.854 4.740 0.000 0.000 0.265 112 N C -2.271 173.242 175.510 0.004 0.000 1.138 112 N CA -1.399 51.653 53.050 0.004 0.000 0.956 112 N CB 1.226 39.715 38.487 0.004 0.000 1.067 112 N HN 0.250 nan 8.380 nan 0.000 0.474 113 P HA -0.060 nan 4.420 nan 0.000 0.215 113 P C 1.512 178.815 177.300 0.005 0.000 1.157 113 P CA 0.952 64.055 63.100 0.005 0.000 0.863 113 P CB 0.186 31.889 31.700 0.005 0.000 0.787 114 M N -0.220 119.383 119.600 0.006 0.000 2.106 114 M HA -0.180 4.300 4.480 0.000 0.000 0.259 114 M C 1.381 177.684 176.300 0.005 0.000 1.068 114 M CA 1.808 57.111 55.300 0.006 0.000 1.100 114 M CB -1.269 31.335 32.600 0.006 0.000 1.351 114 M HN -0.135 nan 8.290 nan 0.000 0.404 115 D N -0.661 119.742 120.400 0.005 0.000 2.091 115 D HA -0.095 4.545 4.640 0.000 0.000 0.199 115 D C 2.139 178.442 176.300 0.005 0.000 0.980 115 D CA 1.220 55.223 54.000 0.004 0.000 0.831 115 D CB -0.407 40.395 40.800 0.004 0.000 0.987 115 D HN 0.340 nan 8.370 nan 0.000 0.460 116 L N 1.091 122.316 121.223 0.005 0.000 2.010 116 L HA -0.280 4.060 4.340 0.000 0.000 0.219 116 L C 2.631 179.504 176.870 0.006 0.000 1.077 116 L CA 1.608 56.451 54.840 0.005 0.000 0.773 116 L CB -0.610 41.452 42.059 0.005 0.000 0.892 116 L HN 0.060 nan 8.230 nan 0.000 0.436 117 K N 0.435 120.839 120.400 0.006 0.000 1.991 117 K HA -0.275 4.045 4.320 0.000 0.000 0.212 117 K C 2.309 178.913 176.600 0.007 0.000 1.049 117 K CA 1.879 58.171 56.287 0.007 0.000 0.932 117 K CB -0.192 32.312 32.500 0.008 0.000 0.717 117 K HN 0.086 nan 8.250 nan 0.000 0.441 118 R N -0.146 120.357 120.500 0.006 0.000 2.136 118 R HA -0.191 4.150 4.340 0.000 0.000 0.242 118 R C 2.376 178.679 176.300 0.004 0.000 1.131 118 R CA 2.255 58.358 56.100 0.005 0.000 0.937 118 R CB -1.052 29.250 30.300 0.004 0.000 0.863 118 R HN 0.501 nan 8.270 nan 0.000 0.435 119 G N 0.698 109.501 108.800 0.004 0.000 2.503 119 G HA2 -0.284 3.676 3.960 0.000 0.000 0.221 119 G HA3 -0.284 3.676 3.960 0.000 0.000 0.221 119 G C 1.465 176.367 174.900 0.005 0.000 1.131 119 G CA 1.314 46.417 45.100 0.004 0.000 0.756 119 G HN 0.351 nan 8.290 nan 0.000 0.572 120 I N 0.715 121.289 120.570 0.005 0.000 2.110 120 I HA -0.116 4.054 4.170 0.000 0.000 0.236 120 I C 2.415 178.535 176.117 0.005 0.000 1.068 120 I CA 1.300 62.604 61.300 0.006 0.000 1.333 120 I CB -0.371 37.634 38.000 0.008 0.000 1.054 120 I HN 0.076 nan 8.210 nan 0.000 0.402 121 D N 1.125 121.528 120.400 0.005 0.000 2.200 121 D HA -0.298 4.342 4.640 0.000 0.000 0.192 121 D C 1.956 178.256 176.300 0.001 0.000 1.008 121 D CA 1.665 55.667 54.000 0.003 0.000 0.872 121 D CB -0.352 40.450 40.800 0.004 0.000 0.923 121 D HN 0.358 nan 8.370 nan 0.000 0.447 122 K N 0.872 121.273 120.400 0.002 0.000 1.978 122 K HA -0.171 4.149 4.320 0.000 0.000 0.214 122 K C 2.232 178.833 176.600 0.001 0.000 1.049 122 K CA 1.577 57.865 56.287 0.001 0.000 0.939 122 K CB -0.209 32.292 32.500 0.002 0.000 0.721 122 K HN 0.031 nan 8.250 nan 0.000 0.441 123 A N 0.793 123.614 122.820 0.002 0.000 1.915 123 A HA -0.215 4.105 4.320 0.000 0.000 0.220 123 A C 2.295 179.880 177.584 0.001 0.000 1.198 123 A CA 2.335 54.374 52.037 0.003 0.000 0.647 123 A CB -1.054 17.948 19.000 0.004 0.000 0.825 123 A HN 0.238 nan 8.150 nan 0.000 0.456 124 V N -0.507 119.407 119.914 0.000 0.000 2.220 124 V HA -0.282 3.838 4.120 0.000 0.000 0.246 124 V C 2.673 178.763 176.094 -0.007 0.000 1.049 124 V CA 2.605 64.903 62.300 -0.003 0.000 1.003 124 V CB -1.621 30.200 31.823 -0.004 0.000 0.634 124 V HN 0.643 nan 8.190 nan 0.000 0.444 125 T N 0.649 115.199 114.554 -0.007 0.000 2.602 125 T HA -0.371 3.979 4.350 0.000 0.000 0.264 125 T C 1.976 176.672 174.700 -0.007 0.000 1.085 125 T CA 2.447 64.542 62.100 -0.009 0.000 1.164 125 T CB -0.721 68.143 68.868 -0.006 0.000 0.860 125 T HN 0.629 nan 8.240 nan 0.000 0.442 126 A N 1.561 124.379 122.820 -0.003 0.000 1.851 126 A HA 0.102 4.422 4.320 0.000 0.000 0.216 126 A C 2.736 180.319 177.584 -0.001 0.000 1.195 126 A CA 2.344 54.380 52.037 -0.001 0.000 0.622 126 A CB -1.409 17.591 19.000 0.001 0.000 0.831 126 A HN 0.590 nan 8.150 nan 0.000 0.444 127 A N -0.637 122.183 122.820 -0.000 0.000 1.948 127 A HA -0.054 4.266 4.320 0.000 0.000 0.220 127 A C 2.216 179.799 177.584 -0.003 0.000 1.177 127 A CA 1.994 54.031 52.037 0.000 0.000 0.636 127 A CB -1.077 17.924 19.000 0.001 0.000 0.815 127 A HN 0.493 nan 8.150 nan 0.000 0.449 128 V N -0.288 119.621 119.914 -0.008 0.000 2.287 128 V HA -0.283 3.837 4.120 0.000 0.000 0.248 128 V C 2.534 178.623 176.094 -0.009 0.000 1.053 128 V CA 2.450 64.743 62.300 -0.013 0.000 1.027 128 V CB -0.859 30.951 31.823 -0.020 0.000 0.646 128 V HN 0.560 nan 8.190 nan 0.000 0.447 129 E N 0.181 120.377 120.200 -0.006 0.000 2.023 129 E HA -0.191 4.159 4.350 0.000 0.000 0.196 129 E C 2.312 178.912 176.600 -0.000 0.000 1.003 129 E CA 1.299 57.697 56.400 -0.003 0.000 0.809 129 E CB -0.407 29.292 29.700 -0.002 0.000 0.755 129 E HN 0.522 nan 8.360 nan 0.000 0.449 130 E N 0.032 120.233 120.200 0.002 0.000 2.164 130 E HA -0.257 4.093 4.350 0.000 0.000 0.206 130 E C 2.140 178.743 176.600 0.006 0.000 1.032 130 E CA 1.003 57.406 56.400 0.006 0.000 0.832 130 E CB -0.456 29.248 29.700 0.007 0.000 0.742 130 E HN 0.169 nan 8.360 nan 0.000 0.460 131 L N 1.356 122.581 121.223 0.003 0.000 2.042 131 L HA -0.206 4.134 4.340 0.000 0.000 0.210 131 L C 2.248 179.120 176.870 0.003 0.000 1.076 131 L CA 1.801 56.643 54.840 0.003 0.000 0.749 131 L CB -0.356 41.701 42.059 -0.002 0.000 0.893 131 L HN 0.056 nan 8.230 nan 0.000 0.432 132 K N -1.036 119.364 120.400 0.001 0.000 2.074 132 K HA -0.204 4.116 4.320 0.000 0.000 0.209 132 K C 2.078 178.680 176.600 0.005 0.000 1.048 132 K CA 1.466 57.753 56.287 0.001 0.000 0.926 132 K CB -0.466 32.033 32.500 -0.001 0.000 0.713 132 K HN 0.402 nan 8.250 nan 0.000 0.444 133 A N 1.683 124.507 122.820 0.006 0.000 1.845 133 A HA -0.162 4.158 4.320 0.000 0.000 0.215 133 A C 2.177 179.767 177.584 0.011 0.000 1.195 133 A CA 1.298 53.340 52.037 0.009 0.000 0.616 133 A CB -0.697 18.308 19.000 0.009 0.000 0.832 133 A HN 0.250 nan 8.150 nan 0.000 0.443 134 L N 0.396 121.626 121.223 0.013 0.000 2.127 134 L HA -0.016 4.324 4.340 0.000 0.000 0.211 134 L C 1.528 178.407 176.870 0.015 0.000 1.089 134 L CA 1.471 56.321 54.840 0.017 0.000 0.757 134 L CB -0.644 41.426 42.059 0.018 0.000 0.899 134 L HN 0.319 nan 8.230 nan 0.000 0.434 135 S N -0.807 114.900 115.700 0.011 0.000 2.558 135 S HA 0.143 4.613 4.470 0.000 0.000 0.293 135 S C -0.204 174.402 174.600 0.011 0.000 1.292 135 S CA -0.469 57.737 58.200 0.010 0.000 1.063 135 S CB 0.133 63.337 63.200 0.006 0.000 0.831 135 S HN 0.093 nan 8.310 nan 0.000 0.499 136 V N 8.643 128.564 119.914 0.012 0.000 2.384 136 V HA 0.373 4.493 4.120 0.000 0.000 0.287 136 V C -2.057 174.043 176.094 0.010 0.000 1.020 136 V CA -1.896 60.411 62.300 0.012 0.000 0.850 136 V CB 1.256 33.087 31.823 0.014 0.000 0.987 136 V HN 0.780 nan 8.190 nan 0.000 0.436 137 P HA -0.013 nan 4.420 nan 0.000 0.269 137 P C -0.549 176.756 177.300 0.008 0.000 1.205 137 P CA 0.100 63.205 63.100 0.008 0.000 0.780 137 P CB 0.334 32.038 31.700 0.008 0.000 0.858 138 C N 2.429 121.733 119.300 0.008 0.000 2.919 138 C HA 0.552 5.012 4.460 0.000 0.000 0.337 138 C C 0.905 175.899 174.990 0.007 0.000 1.039 138 C CA 0.369 59.392 59.018 0.008 0.000 1.373 138 C CB -0.704 27.042 27.740 0.009 0.000 1.843 138 C HN 0.642 nan 8.230 nan 0.000 0.493 139 S N 2.772 118.476 115.700 0.006 0.000 3.624 139 S HA 0.194 4.664 4.470 0.000 0.000 0.244 139 S C 0.138 174.741 174.600 0.004 0.000 1.115 139 S CA 0.588 58.792 58.200 0.005 0.000 0.820 139 S CB -0.232 62.971 63.200 0.005 0.000 0.964 139 S HN 0.932 nan 8.310 nan 0.000 0.508 140 D N 1.992 122.394 120.400 0.004 0.000 2.419 140 D HA 0.139 4.779 4.640 0.000 0.000 0.236 140 D C 0.786 177.088 176.300 0.003 0.000 1.165 140 D CA 0.363 54.365 54.000 0.003 0.000 0.882 140 D CB 0.406 41.208 40.800 0.004 0.000 1.201 140 D HN 0.143 nan 8.370 nan 0.000 0.443 141 S N 0.469 116.170 115.700 0.002 0.000 2.465 141 S HA -0.206 4.265 4.470 0.000 0.000 0.241 141 S C 1.506 176.107 174.600 0.002 0.000 1.000 141 S CA 1.207 59.408 58.200 0.001 0.000 0.964 141 S CB -0.271 62.929 63.200 0.000 0.000 0.763 141 S HN 0.652 nan 8.310 nan 0.000 0.512 142 K N 1.791 122.192 120.400 0.002 0.000 1.973 142 K HA -0.021 4.299 4.320 0.000 0.000 0.210 142 K C 2.334 178.936 176.600 0.004 0.000 1.045 142 K CA 1.199 57.487 56.287 0.003 0.000 0.937 142 K CB -0.486 32.016 32.500 0.004 0.000 0.721 142 K HN 0.253 nan 8.250 nan 0.000 0.438 143 A N 1.683 124.506 122.820 0.005 0.000 1.986 143 A HA -0.161 4.159 4.320 0.000 0.000 0.220 143 A C 2.065 179.652 177.584 0.005 0.000 1.171 143 A CA 1.454 53.494 52.037 0.006 0.000 0.640 143 A CB -0.570 18.434 19.000 0.006 0.000 0.811 143 A HN 0.368 nan 8.150 nan 0.000 0.451 144 I N -0.216 120.357 120.570 0.004 0.000 2.133 144 I HA -0.208 3.962 4.170 0.000 0.000 0.238 144 I C 2.950 179.069 176.117 0.003 0.000 1.074 144 I CA 1.561 62.863 61.300 0.004 0.000 1.342 144 I CB -1.730 36.271 38.000 0.002 0.000 1.053 144 I HN 0.350 nan 8.210 nan 0.000 0.404 145 A N -0.006 122.815 122.820 0.002 0.000 2.015 145 A HA -0.245 4.076 4.320 0.000 0.000 0.219 145 A C 2.190 179.775 177.584 0.002 0.000 1.163 145 A CA 1.632 53.669 52.037 0.001 0.000 0.646 145 A CB -0.564 18.436 19.000 0.000 0.000 0.806 145 A HN 0.485 nan 8.150 nan 0.000 0.448 146 Q N 0.115 119.917 119.800 0.003 0.000 1.803 146 Q HA -0.179 4.161 4.340 0.000 0.000 0.284 146 Q C 2.009 178.012 176.000 0.004 0.000 1.004 146 Q CA 2.835 58.640 55.803 0.004 0.000 0.889 146 Q CB -1.114 27.627 28.738 0.005 0.000 0.949 146 Q HN 0.497 nan 8.270 nan 0.000 0.418 147 V N 0.530 120.447 119.914 0.006 0.000 2.250 147 V HA -0.295 3.825 4.120 0.000 0.000 0.253 147 V C 1.907 178.005 176.094 0.008 0.000 1.065 147 V CA 3.134 65.439 62.300 0.007 0.000 1.039 147 V CB -1.492 30.337 31.823 0.010 0.000 0.647 147 V HN 0.645 nan 8.190 nan 0.000 0.446 148 G N -0.342 108.463 108.800 0.007 0.000 2.679 148 G HA2 -0.436 3.524 3.960 0.000 0.000 0.217 148 G HA3 -0.436 3.524 3.960 0.000 0.000 0.217 148 G C 1.775 176.678 174.900 0.005 0.000 1.267 148 G CA 2.871 47.975 45.100 0.007 0.000 0.799 148 G HN 0.828 nan 8.290 nan 0.000 0.606 149 T N 0.329 114.884 114.554 0.003 0.000 2.714 149 T HA -0.203 4.147 4.350 0.000 0.000 0.268 149 T C 2.359 177.059 174.700 0.001 0.000 1.036 149 T CA 1.719 63.820 62.100 0.001 0.000 1.148 149 T CB -0.428 68.440 68.868 0.000 0.000 0.856 149 T HN 0.342 nan 8.240 nan 0.000 0.462 150 I N 1.316 121.887 120.570 0.001 0.000 2.133 150 I HA -0.123 4.047 4.170 0.000 0.000 0.238 150 I C 3.029 179.146 176.117 -0.000 0.000 1.074 150 I CA 1.516 62.816 61.300 -0.001 0.000 1.342 150 I CB -0.762 37.238 38.000 -0.001 0.000 1.053 150 I HN 0.307 nan 8.210 nan 0.000 0.404 151 S N 0.587 116.290 115.700 0.004 0.000 2.469 151 S HA -0.071 4.399 4.470 0.000 0.000 0.238 151 S C 1.909 176.514 174.600 0.009 0.000 0.998 151 S CA 1.144 59.349 58.200 0.008 0.000 0.957 151 S CB -0.234 62.977 63.200 0.017 0.000 0.764 151 S HN 0.467 nan 8.310 nan 0.000 0.514 152 A N 1.060 123.884 122.820 0.006 0.000 2.238 152 A HA 0.277 4.597 4.320 0.000 0.000 0.208 152 A C 0.701 178.286 177.584 0.002 0.000 1.177 152 A CA 0.438 52.478 52.037 0.005 0.000 0.804 152 A CB -0.719 18.283 19.000 0.003 0.000 0.823 152 A HN 0.823 nan 8.150 nan 0.000 0.482 153 N N -0.963 117.736 118.700 -0.001 0.000 2.792 153 N HA -0.220 4.520 4.740 0.000 0.000 0.258 153 N C 0.375 175.882 175.510 -0.005 0.000 1.118 153 N CA 0.281 53.328 53.050 -0.005 0.000 0.672 153 N CB -1.131 37.353 38.487 -0.005 0.000 0.913 153 N HN 0.324 nan 8.380 nan 0.000 0.562 154 S N -1.038 114.659 115.700 -0.005 0.000 1.799 154 S HA -0.292 4.178 4.470 0.000 0.000 0.230 154 S C 0.047 174.646 174.600 -0.003 0.000 0.932 154 S CA 1.474 59.671 58.200 -0.004 0.000 1.516 154 S CB -1.019 62.177 63.200 -0.006 0.000 1.962 154 S HN 0.857 nan 8.310 nan 0.000 0.542 155 D N 2.877 123.275 120.400 -0.003 0.000 2.518 155 D HA -0.007 4.633 4.640 0.000 0.000 0.270 155 D C 1.046 177.345 176.300 -0.002 0.000 1.338 155 D CA 0.699 54.697 54.000 -0.002 0.000 0.983 155 D CB 0.271 41.070 40.800 -0.002 0.000 1.126 155 D HN 0.632 nan 8.370 nan 0.000 0.543 156 E N 1.427 121.626 120.200 -0.002 0.000 2.072 156 E HA -0.180 4.170 4.350 0.000 0.000 0.191 156 E C 2.048 178.647 176.600 -0.002 0.000 0.985 156 E CA 1.611 58.010 56.400 -0.001 0.000 0.801 156 E CB -0.062 29.637 29.700 -0.001 0.000 0.750 156 E HN 0.710 nan 8.360 nan 0.000 0.452 157 T N -0.272 114.280 114.554 -0.002 0.000 2.721 157 T HA -0.217 4.133 4.350 0.000 0.000 0.268 157 T C 2.028 176.726 174.700 -0.004 0.000 1.038 157 T CA 1.664 63.762 62.100 -0.003 0.000 1.145 157 T CB -0.834 68.032 68.868 -0.003 0.000 0.858 157 T HN -0.043 nan 8.240 nan 0.000 0.459 158 V N 2.442 122.354 119.914 -0.003 0.000 2.222 158 V HA -0.001 4.119 4.120 0.000 0.000 0.240 158 V C 3.184 179.276 176.094 -0.003 0.000 1.040 158 V CA 1.986 64.284 62.300 -0.003 0.000 0.988 158 V CB -1.686 30.136 31.823 -0.002 0.000 0.633 158 V HN 0.642 nan 8.190 nan 0.000 0.452 159 G N -0.250 108.549 108.800 -0.001 0.000 2.626 159 G HA2 -0.404 3.556 3.960 0.000 0.000 0.224 159 G HA3 -0.404 3.556 3.960 0.000 0.000 0.224 159 G C 1.529 176.428 174.900 -0.002 0.000 1.095 159 G CA 1.622 46.721 45.100 -0.001 0.000 0.738 159 G HN 0.570 nan 8.290 nan 0.000 0.600 160 K N -0.255 120.143 120.400 -0.003 0.000 1.968 160 K HA -0.101 4.219 4.320 0.000 0.000 0.222 160 K C 2.486 179.083 176.600 -0.005 0.000 1.043 160 K CA 1.503 57.788 56.287 -0.003 0.000 0.991 160 K CB -0.429 32.069 32.500 -0.004 0.000 0.744 160 K HN 0.134 nan 8.250 nan 0.000 0.445 161 L N 1.568 122.787 121.223 -0.007 0.000 2.064 161 L HA -0.269 4.071 4.340 0.000 0.000 0.216 161 L C 2.340 179.204 176.870 -0.010 0.000 1.077 161 L CA 1.743 56.578 54.840 -0.009 0.000 0.766 161 L CB -0.721 41.332 42.059 -0.010 0.000 0.890 161 L HN 0.400 nan 8.230 nan 0.000 0.435 162 I N -0.823 119.741 120.570 -0.010 0.000 2.099 162 I HA -0.373 3.798 4.170 0.000 0.000 0.239 162 I C 2.678 178.790 176.117 -0.009 0.000 1.066 162 I CA 1.499 62.793 61.300 -0.011 0.000 1.324 162 I CB -0.790 37.204 38.000 -0.009 0.000 1.037 162 I HN 0.296 nan 8.210 nan 0.000 0.401 163 A N 0.575 123.392 122.820 -0.006 0.000 1.883 163 A HA -0.250 4.071 4.320 0.000 0.000 0.217 163 A C 2.211 179.792 177.584 -0.005 0.000 1.186 163 A CA 1.965 53.999 52.037 -0.004 0.000 0.624 163 A CB -0.745 18.254 19.000 -0.002 0.000 0.822 163 A HN 0.500 nan 8.150 nan 0.000 0.444 164 E N -0.207 119.990 120.200 -0.006 0.000 2.049 164 E HA -0.198 4.152 4.350 0.000 0.000 0.198 164 E C 2.392 178.987 176.600 -0.008 0.000 1.007 164 E CA 1.085 57.481 56.400 -0.007 0.000 0.809 164 E CB -0.417 29.279 29.700 -0.007 0.000 0.749 164 E HN 0.620 nan 8.360 nan 0.000 0.450 165 A N 1.711 124.525 122.820 -0.011 0.000 1.852 165 A HA -0.278 4.042 4.320 0.000 0.000 0.217 165 A C 2.265 179.842 177.584 -0.012 0.000 1.215 165 A CA 2.328 54.357 52.037 -0.013 0.000 0.641 165 A CB -0.827 18.163 19.000 -0.017 0.000 0.838 165 A HN 0.183 nan 8.150 nan 0.000 0.450 166 M N -1.044 118.549 119.600 -0.011 0.000 2.267 166 M HA -0.175 4.305 4.480 0.000 0.000 0.263 166 M C 1.603 177.899 176.300 -0.006 0.000 1.063 166 M CA 1.847 57.142 55.300 -0.008 0.000 1.090 166 M CB -0.636 31.960 32.600 -0.007 0.000 1.392 166 M HN 0.511 nan 8.290 nan 0.000 0.422 167 D N 0.400 120.797 120.400 -0.006 0.000 2.348 167 D HA -0.081 4.559 4.640 0.000 0.000 0.216 167 D C 1.883 178.180 176.300 -0.005 0.000 0.970 167 D CA 0.884 54.881 54.000 -0.005 0.000 0.889 167 D CB 0.380 41.177 40.800 -0.004 0.000 0.912 167 D HN 0.117 nan 8.370 nan 0.000 0.524 168 K N -0.381 120.014 120.400 -0.007 0.000 2.183 168 K HA 0.097 4.417 4.320 0.000 0.000 0.218 168 K C 1.604 178.200 176.600 -0.007 0.000 1.025 168 K CA 0.290 56.572 56.287 -0.007 0.000 0.944 168 K CB -1.006 31.489 32.500 -0.009 0.000 0.936 168 K HN -0.009 nan 8.250 nan 0.000 0.460 169 V N 0.953 120.861 119.914 -0.008 0.000 3.573 169 V HA 0.138 4.258 4.120 0.000 0.000 0.270 169 V C 0.368 176.458 176.094 -0.006 0.000 1.221 169 V CA 1.193 63.488 62.300 -0.008 0.000 1.163 169 V CB -0.844 30.973 31.823 -0.010 0.000 0.847 169 V HN 0.660 nan 8.190 nan 0.000 0.468 170 G N 0.130 108.927 108.800 -0.005 0.000 2.655 170 G HA2 -0.193 3.767 3.960 0.000 0.000 0.680 170 G HA3 -0.193 3.767 3.960 0.000 0.000 0.680 170 G C 0.173 175.071 174.900 -0.004 0.000 1.302 170 G CA 0.063 45.161 45.100 -0.003 0.000 0.872 170 G HN 0.274 nan 8.290 nan 0.000 0.540 171 K N -0.042 120.357 120.400 -0.001 0.000 2.057 171 K HA -0.038 4.282 4.320 0.000 0.000 0.206 171 K C 1.947 178.546 176.600 -0.000 0.000 1.050 171 K CA 1.834 58.121 56.287 -0.000 0.000 0.935 171 K CB -0.039 32.462 32.500 0.003 0.000 0.715 171 K HN 0.415 nan 8.250 nan 0.000 0.439 172 E N 0.379 120.579 120.200 0.002 0.000 2.502 172 E HA 0.044 4.394 4.350 0.000 0.000 0.194 172 E C 0.517 177.116 176.600 -0.001 0.000 1.062 172 E CA -0.018 56.384 56.400 0.003 0.000 0.867 172 E CB 0.079 29.783 29.700 0.008 0.000 0.888 172 E HN 0.292 nan 8.360 nan 0.000 0.510 173 G N 0.024 108.821 108.800 -0.005 0.000 2.664 173 G HA2 0.187 4.148 3.960 0.000 0.000 0.242 173 G HA3 0.187 4.148 3.960 0.000 0.000 0.242 173 G C -0.231 174.660 174.900 -0.015 0.000 1.225 173 G CA -0.501 44.594 45.100 -0.009 0.000 0.849 173 G HN 0.050 nan 8.290 nan 0.000 0.581 174 V N 1.738 121.641 119.914 -0.019 0.000 2.364 174 V HA 0.319 4.439 4.120 0.000 0.000 0.272 174 V C -0.197 175.876 176.094 -0.034 0.000 1.036 174 V CA -0.315 61.967 62.300 -0.029 0.000 0.880 174 V CB 0.694 32.498 31.823 -0.032 0.000 0.991 174 V HN 0.455 nan 8.190 nan 0.000 0.460 175 I N 4.747 125.292 120.570 -0.042 0.000 2.603 175 I HA 0.762 4.932 4.170 0.000 0.000 0.300 175 I C 0.463 176.547 176.117 -0.054 0.000 1.017 175 I CA 0.009 61.283 61.300 -0.044 0.000 1.098 175 I CB 2.263 40.237 38.000 -0.044 0.000 1.279 175 I HN 0.770 nan 8.210 nan 0.000 0.437 176 T N 1.348 115.873 114.554 -0.049 0.000 2.804 176 T HA 0.918 5.268 4.350 0.000 0.000 0.290 176 T C -0.974 173.700 174.700 -0.043 0.000 1.099 176 T CA -0.785 61.285 62.100 -0.050 0.000 1.011 176 T CB 1.639 70.479 68.868 -0.047 0.000 1.291 176 T HN 0.283 nan 8.240 nan 0.000 0.523 177 V N 0.697 120.588 119.914 -0.039 0.000 2.808 177 V HA 0.656 4.776 4.120 0.000 0.000 0.308 177 V C -0.965 175.115 176.094 -0.024 0.000 1.099 177 V CA -0.826 61.456 62.300 -0.031 0.000 0.920 177 V CB 1.867 33.672 31.823 -0.030 0.000 1.014 177 V HN 1.055 nan 8.190 nan 0.000 0.425 178 E N 1.324 121.512 120.200 -0.021 0.000 2.367 178 E HA 0.467 4.817 4.350 0.000 0.000 0.273 178 E C -1.715 174.876 176.600 -0.014 0.000 0.903 178 E CA -1.051 55.338 56.400 -0.018 0.000 0.764 178 E CB 2.308 31.996 29.700 -0.019 0.000 1.252 178 E HN 0.703 nan 8.360 nan 0.000 0.446 179 D N 0.832 121.225 120.400 -0.012 0.000 2.423 179 D HA 0.229 4.869 4.640 0.000 0.000 0.238 179 D C 0.224 176.517 176.300 -0.011 0.000 1.142 179 D CA 0.481 54.475 54.000 -0.010 0.000 0.884 179 D CB 0.581 41.376 40.800 -0.008 0.000 1.199 179 D HN 0.455 nan 8.370 nan 0.000 0.438 180 G N -0.313 108.482 108.800 -0.009 0.000 2.467 180 G HA2 0.294 4.254 3.960 0.000 0.000 0.257 180 G HA3 0.294 4.254 3.960 0.000 0.000 0.257 180 G C 1.144 176.038 174.900 -0.009 0.000 1.227 180 G CA -0.289 44.806 45.100 -0.009 0.000 0.835 180 G HN 0.528 nan 8.290 nan 0.000 0.556 181 T N -0.161 114.387 114.554 -0.009 0.000 2.896 181 T HA 0.245 4.595 4.350 0.000 0.000 0.263 181 T C 1.375 176.071 174.700 -0.007 0.000 1.050 181 T CA 1.116 63.211 62.100 -0.009 0.000 1.140 181 T CB 0.031 68.893 68.868 -0.009 0.000 0.877 181 T HN 0.738 nan 8.240 nan 0.000 0.457 182 G N 0.576 109.372 108.800 -0.007 0.000 3.234 182 G HA2 0.528 4.488 3.960 0.000 0.000 0.159 182 G HA3 0.528 4.488 3.960 0.000 0.000 0.159 182 G C 0.134 175.031 174.900 -0.006 0.000 1.175 182 G CA -0.133 44.964 45.100 -0.006 0.000 0.900 182 G HN 0.236 nan 8.290 nan 0.000 0.621 183 L N -0.719 120.500 121.223 -0.005 0.000 2.477 183 L HA 0.401 4.741 4.340 0.000 0.000 0.220 183 L C 0.688 177.555 176.870 -0.005 0.000 1.106 183 L CA 0.553 55.390 54.840 -0.005 0.000 0.851 183 L CB -0.235 41.822 42.059 -0.004 0.000 0.994 183 L HN 0.183 nan 8.230 nan 0.000 0.462 184 Q N 1.183 120.979 119.800 -0.006 0.000 2.259 184 Q HA 0.192 4.532 4.340 0.000 0.000 0.249 184 Q C -0.788 175.208 176.000 -0.007 0.000 0.914 184 Q CA -0.295 55.504 55.803 -0.006 0.000 0.904 184 Q CB 1.170 29.904 28.738 -0.006 0.000 1.213 184 Q HN 0.227 nan 8.270 nan 0.000 0.428 185 D N 1.672 122.068 120.400 -0.007 0.000 2.339 185 D HA 0.205 4.845 4.640 0.000 0.000 0.245 185 D C -0.354 175.940 176.300 -0.009 0.000 1.115 185 D CA 0.227 54.222 54.000 -0.008 0.000 0.917 185 D CB 0.792 41.587 40.800 -0.008 0.000 1.192 185 D HN 0.282 nan 8.370 nan 0.000 0.428 186 E N 0.432 120.626 120.200 -0.010 0.000 2.278 186 E HA 0.394 4.744 4.350 0.000 0.000 0.272 186 E C -1.006 175.586 176.600 -0.013 0.000 0.890 186 E CA -0.592 55.801 56.400 -0.011 0.000 0.770 186 E CB 2.362 32.056 29.700 -0.012 0.000 1.212 186 E HN 0.207 nan 8.360 nan 0.000 0.415 187 L N 3.503 124.719 121.223 -0.012 0.000 2.325 187 L HA 0.528 4.868 4.340 0.000 0.000 0.281 187 L C -1.469 175.393 176.870 -0.014 0.000 1.004 187 L CA -0.419 54.413 54.840 -0.014 0.000 0.823 187 L CB 0.848 42.899 42.059 -0.013 0.000 1.236 187 L HN 0.536 nan 8.230 nan 0.000 0.415 188 D N 4.380 124.771 120.400 -0.015 0.000 2.819 188 D HA 0.363 5.003 4.640 0.000 0.000 0.232 188 D C -0.888 175.402 176.300 -0.017 0.000 1.160 188 D CA -0.171 53.820 54.000 -0.015 0.000 0.858 188 D CB 2.922 43.712 40.800 -0.016 0.000 1.610 188 D HN 0.326 nan 8.370 nan 0.000 0.481 189 V N -0.490 119.415 119.914 -0.015 0.000 2.427 189 V HA 0.816 4.936 4.120 0.000 0.000 0.286 189 V C -0.139 175.946 176.094 -0.016 0.000 1.034 189 V CA -0.518 61.773 62.300 -0.015 0.000 0.893 189 V CB 1.461 33.276 31.823 -0.013 0.000 0.982 189 V HN 0.330 nan 8.190 nan 0.000 0.452 190 V N 2.947 122.851 119.914 -0.017 0.000 3.114 190 V HA 0.547 4.667 4.120 0.000 0.000 0.308 190 V C -0.401 175.683 176.094 -0.017 0.000 1.168 190 V CA -0.582 61.708 62.300 -0.018 0.000 1.015 190 V CB 2.312 34.123 31.823 -0.021 0.000 1.050 190 V HN 1.051 nan 8.190 nan 0.000 0.433 191 E N 2.759 122.949 120.200 -0.016 0.000 2.558 191 E HA 0.440 4.790 4.350 0.000 0.000 0.255 191 E C 0.244 176.834 176.600 -0.016 0.000 0.968 191 E CA 1.087 57.479 56.400 -0.013 0.000 0.939 191 E CB 0.665 30.357 29.700 -0.012 0.000 0.921 191 E HN 1.079 nan 8.360 nan 0.000 0.477 192 G N 1.330 110.122 108.800 -0.013 0.000 2.554 192 G HA2 0.597 4.557 3.960 0.000 0.000 0.306 192 G HA3 0.597 4.557 3.960 0.000 0.000 0.306 192 G C -1.175 173.718 174.900 -0.011 0.000 1.320 192 G CA -0.544 44.545 45.100 -0.018 0.000 0.800 192 G HN 0.428 nan 8.290 nan 0.000 0.481 193 M N -0.602 118.984 119.600 -0.024 0.000 2.895 193 M HA 0.623 5.103 4.480 0.000 0.000 0.271 193 M C -2.329 173.921 176.300 -0.084 0.000 1.174 193 M CA -0.668 54.623 55.300 -0.015 0.000 0.816 193 M CB 2.299 34.924 32.600 0.043 0.000 1.647 193 M HN 0.834 nan 8.290 nan 0.000 0.506 194 Q N 2.100 121.851 119.800 -0.082 0.000 2.435 194 Q HA 0.705 5.045 4.340 0.000 0.000 0.282 194 Q C -2.288 173.651 176.000 -0.101 0.000 1.020 194 Q CA -0.618 55.048 55.803 -0.228 0.000 0.820 194 Q CB 2.722 31.371 28.738 -0.149 0.000 1.436 194 Q HN 0.651 nan 8.270 nan 0.000 0.395 195 F N -0.916 119.040 119.950 0.010 0.000 2.719 195 F HA 0.454 4.981 4.527 0.000 0.000 0.309 195 F C -1.600 174.208 175.800 0.014 0.000 1.138 195 F CA -1.372 56.636 58.000 0.014 0.000 0.943 195 F CB 0.632 39.642 39.000 0.018 0.000 1.304 195 F HN 0.293 nan 8.300 nan 0.000 0.445 196 D N 2.158 122.763 120.400 0.341 0.000 2.383 196 D HA 0.458 5.098 4.640 0.000 0.000 0.245 196 D C -0.511 175.947 176.300 0.262 0.000 1.263 196 D CA 0.377 54.507 54.000 0.216 0.000 0.936 196 D CB 0.501 41.378 40.800 0.129 0.000 1.053 196 D HN 0.570 nan 8.370 nan 0.000 0.507 197 R N 0.950 121.618 120.500 0.280 0.000 2.879 197 R HA 0.430 4.770 4.340 0.000 0.000 0.291 197 R C -0.274 176.117 176.300 0.151 0.000 1.246 197 R CA -0.443 55.798 56.100 0.234 0.000 1.083 197 R CB 1.044 31.556 30.300 0.352 0.000 1.274 197 R HN 0.379 nan 8.270 nan 0.000 0.393 198 G N 2.091 110.899 108.800 0.014 0.000 2.504 198 G HA2 0.349 4.309 3.960 0.000 0.000 0.288 198 G HA3 0.349 4.309 3.960 0.000 0.000 0.288 198 G C -0.543 174.325 174.900 -0.053 0.000 1.182 198 G CA -0.454 44.560 45.100 -0.144 0.000 0.894 198 G HN 0.507 nan 8.290 nan 0.000 0.521 199 Y N -0.693 119.700 120.300 0.156 0.000 2.757 199 Y HA 0.192 4.742 4.550 0.000 0.000 0.344 199 Y C 0.773 176.790 175.900 0.195 0.000 1.263 199 Y CA -1.075 57.161 58.100 0.227 0.000 1.493 199 Y CB 0.140 38.776 38.460 0.292 0.000 1.342 199 Y HN 0.123 nan 8.280 nan 0.000 0.627 200 L N 1.724 123.263 121.223 0.527 0.000 2.611 200 L HA 0.272 4.612 4.340 0.000 0.000 0.229 200 L C 0.390 177.337 176.870 0.128 0.000 1.137 200 L CA 0.626 55.652 54.840 0.311 0.000 0.901 200 L CB -0.710 41.507 42.059 0.262 0.000 1.098 200 L HN 0.746 nan 8.230 nan 0.000 0.456 201 S N -1.754 113.953 115.700 0.013 0.000 2.590 201 S HA 0.351 4.821 4.470 0.000 0.000 0.286 201 S C -2.390 171.819 174.600 -0.651 0.000 1.147 201 S CA -0.649 57.272 58.200 -0.466 0.000 0.963 201 S CB 1.326 63.833 63.200 -1.156 0.000 1.124 201 S HN -0.173 nan 8.310 nan 0.000 0.458 202 P HA -0.026 nan 4.420 nan 0.000 0.220 202 P C 0.346 177.383 177.300 -0.439 0.000 1.148 202 P CA 0.903 63.639 63.100 -0.607 0.000 0.803 202 P CB -0.095 31.422 31.700 -0.305 0.000 0.782 203 Y N -2.469 117.575 120.300 -0.425 0.000 2.621 203 Y HA -0.040 4.510 4.550 0.000 0.000 0.330 203 Y C 1.358 177.202 175.900 -0.093 0.000 1.219 203 Y CA 0.489 58.434 58.100 -0.259 0.000 1.286 203 Y CB -1.192 37.120 38.460 -0.247 0.000 1.053 203 Y HN -0.003 nan 8.280 nan 0.000 0.498 204 F N -1.118 118.772 119.950 -0.100 0.000 2.653 204 F HA 0.226 4.753 4.527 0.000 0.000 0.288 204 F C 1.071 176.801 175.800 -0.117 0.000 1.121 204 F CA -1.199 56.746 58.000 -0.091 0.000 1.384 204 F CB -0.405 38.536 39.000 -0.098 0.000 1.115 204 F HN -0.191 nan 8.300 nan 0.000 0.599 205 I N 3.427 123.983 120.570 -0.023 0.000 2.821 205 I HA -0.167 4.003 4.170 0.000 0.000 0.294 205 I C 1.146 177.263 176.117 -0.001 0.000 1.210 205 I CA 0.487 61.765 61.300 -0.037 0.000 1.430 205 I CB 0.290 38.228 38.000 -0.104 0.000 1.356 205 I HN 0.242 nan 8.210 nan 0.000 0.563 206 N N 5.123 123.831 118.700 0.015 0.000 2.197 206 N HA 0.022 4.762 4.740 0.000 0.000 0.201 206 N C -0.169 175.343 175.510 0.003 0.000 1.148 206 N CA -0.111 52.945 53.050 0.010 0.000 0.883 206 N CB 0.636 39.132 38.487 0.015 0.000 1.012 206 N HN 0.379 nan 8.380 nan 0.000 0.507 207 K N 2.211 122.616 120.400 0.008 0.000 2.562 207 K HA 0.325 4.645 4.320 0.000 0.000 0.206 207 K C -1.802 174.801 176.600 0.005 0.000 1.033 207 K CA -1.906 54.386 56.287 0.008 0.000 1.029 207 K CB 2.255 34.767 32.500 0.019 0.000 1.393 207 K HN -0.008 nan 8.250 nan 0.000 0.539 208 P HA -0.202 nan 4.420 nan 0.000 0.213 208 P C 0.720 178.018 177.300 -0.004 0.000 1.170 208 P CA 1.280 64.370 63.100 -0.018 0.000 0.902 208 P CB 0.462 32.146 31.700 -0.027 0.000 0.789 209 E N -0.890 119.310 120.200 0.000 0.000 2.510 209 E HA -0.049 4.301 4.350 0.000 0.000 0.202 209 E C 1.252 177.864 176.600 0.018 0.000 1.072 209 E CA 0.950 57.353 56.400 0.007 0.000 0.883 209 E CB -0.461 29.242 29.700 0.006 0.000 0.818 209 E HN 0.358 nan 8.360 nan 0.000 0.548 210 T N -1.964 112.605 114.554 0.026 0.000 2.954 210 T HA 0.198 4.548 4.350 0.000 0.000 0.252 210 T C 1.156 175.892 174.700 0.060 0.000 0.983 210 T CA 0.346 62.472 62.100 0.043 0.000 0.941 210 T CB 0.918 69.812 68.868 0.042 0.000 1.141 210 T HN 0.229 nan 8.240 nan 0.000 0.500 211 G N 2.048 110.879 108.800 0.051 0.000 2.225 211 G HA2 -0.002 3.958 3.960 0.000 0.000 0.267 211 G HA3 -0.002 3.958 3.960 0.000 0.000 0.267 211 G C 0.115 175.104 174.900 0.148 0.000 1.024 211 G CA 0.264 45.410 45.100 0.077 0.000 0.784 211 G HN 0.943 nan 8.290 nan 0.000 0.507 212 A N -1.459 121.427 122.820 0.110 0.000 2.387 212 A HA 0.929 5.250 4.320 0.000 0.000 0.303 212 A C -0.367 177.277 177.584 0.099 0.000 1.145 212 A CA -0.271 51.848 52.037 0.137 0.000 0.801 212 A CB 2.107 21.163 19.000 0.094 0.000 1.342 212 A HN 1.224 nan 8.150 nan 0.000 0.440 213 V N 1.491 121.472 119.914 0.112 0.000 2.349 213 V HA 0.333 4.453 4.120 0.000 0.000 0.284 213 V C -0.530 175.590 176.094 0.043 0.000 1.014 213 V CA -0.374 61.972 62.300 0.076 0.000 0.826 213 V CB 0.913 32.798 31.823 0.103 0.000 1.009 213 V HN 0.881 nan 8.190 nan 0.000 0.431 214 E N 5.473 125.687 120.200 0.024 0.000 2.109 214 E HA 0.592 4.942 4.350 0.000 0.000 0.278 214 E C -1.133 175.467 176.600 0.001 0.000 0.954 214 E CA -0.424 55.981 56.400 0.008 0.000 0.779 214 E CB 1.886 31.589 29.700 0.004 0.000 1.093 214 E HN 0.540 nan 8.360 nan 0.000 0.401 215 L N 2.952 124.171 121.223 -0.006 0.000 2.341 215 L HA 0.321 4.661 4.340 0.000 0.000 0.278 215 L C 0.060 176.923 176.870 -0.013 0.000 1.005 215 L CA -1.034 53.801 54.840 -0.008 0.000 0.818 215 L CB 1.571 43.624 42.059 -0.011 0.000 1.259 215 L HN 0.335 nan 8.230 nan 0.000 0.418 216 E N 2.215 122.409 120.200 -0.009 0.000 2.070 216 E HA 0.052 4.402 4.350 0.000 0.000 0.282 216 E C 0.594 177.178 176.600 -0.028 0.000 1.104 216 E CA 0.003 56.393 56.400 -0.016 0.000 0.876 216 E CB 0.980 30.674 29.700 -0.010 0.000 1.055 216 E HN 0.694 nan 8.360 nan 0.000 0.401 217 S N 1.998 117.669 115.700 -0.050 0.000 3.294 217 S HA -0.180 4.290 4.470 0.000 0.000 0.361 217 S C -2.246 172.280 174.600 -0.123 0.000 0.935 217 S CA -0.050 58.095 58.200 -0.092 0.000 1.263 217 S CB -1.678 61.458 63.200 -0.107 0.000 0.891 217 S HN 0.246 nan 8.310 nan 0.000 0.487 218 P HA 0.546 nan 4.420 nan 0.000 0.275 218 P C 0.375 177.651 177.300 -0.040 0.000 1.266 218 P CA -0.710 62.405 63.100 0.024 0.000 0.793 218 P CB 0.300 32.034 31.700 0.056 0.000 1.074 219 F N -0.567 119.375 119.950 -0.013 0.000 2.368 219 F HA 0.440 4.967 4.527 0.000 0.000 0.315 219 F C 0.713 176.509 175.800 -0.006 0.000 1.145 219 F CA 0.021 58.017 58.000 -0.008 0.000 1.095 219 F CB 0.146 39.141 39.000 -0.008 0.000 1.286 219 F HN -0.009 nan 8.300 nan 0.000 0.530 220 I N 2.751 123.432 120.570 0.184 0.000 2.533 220 I HA 0.247 4.418 4.170 0.000 0.000 0.290 220 I C -1.297 174.881 176.117 0.101 0.000 1.056 220 I CA -0.788 60.577 61.300 0.109 0.000 1.057 220 I CB 1.944 39.984 38.000 0.068 0.000 1.240 220 I HN 0.224 nan 8.210 nan 0.000 0.423 221 L N 7.408 128.677 121.223 0.078 0.000 2.322 221 L HA 0.576 4.916 4.340 0.000 0.000 0.279 221 L C -1.080 175.821 176.870 0.051 0.000 1.036 221 L CA -0.474 54.401 54.840 0.058 0.000 0.807 221 L CB 1.587 43.672 42.059 0.043 0.000 1.226 221 L HN 0.610 nan 8.230 nan 0.000 0.433 222 L N 5.827 127.075 121.223 0.041 0.000 2.495 222 L HA 0.415 4.756 4.340 0.000 0.000 0.248 222 L C 0.554 177.437 176.870 0.022 0.000 1.229 222 L CA -0.346 54.513 54.840 0.032 0.000 0.942 222 L CB 1.061 43.138 42.059 0.030 0.000 1.242 222 L HN 0.749 nan 8.230 nan 0.000 0.484 223 A N 0.634 123.467 122.820 0.021 0.000 2.267 223 A HA 0.292 4.612 4.320 0.000 0.000 0.276 223 A C 0.524 178.114 177.584 0.010 0.000 1.336 223 A CA 0.568 52.615 52.037 0.016 0.000 0.815 223 A CB 0.392 19.403 19.000 0.018 0.000 1.256 223 A HN 0.650 nan 8.150 nan 0.000 0.512 224 D N -3.105 117.300 120.400 0.009 0.000 2.475 224 D HA 0.116 4.756 4.640 0.000 0.000 0.306 224 D C -0.006 176.299 176.300 0.008 0.000 1.304 224 D CA 0.215 54.218 54.000 0.005 0.000 0.862 224 D CB 0.016 40.817 40.800 0.003 0.000 1.306 224 D HN 0.642 nan 8.370 nan 0.000 0.494 225 K N -0.399 120.008 120.400 0.011 0.000 2.378 225 K HA 0.666 4.986 4.320 0.000 0.000 0.244 225 K C -0.889 175.721 176.600 0.017 0.000 1.039 225 K CA -1.057 55.237 56.287 0.013 0.000 0.863 225 K CB 1.274 33.781 32.500 0.012 0.000 1.326 225 K HN -0.327 nan 8.250 nan 0.000 0.460 226 K N 1.262 121.673 120.400 0.019 0.000 2.297 226 K HA 0.255 4.575 4.320 0.000 0.000 0.286 226 K C -0.499 176.114 176.600 0.022 0.000 1.053 226 K CA -0.314 55.987 56.287 0.023 0.000 0.940 226 K CB 0.441 32.953 32.500 0.021 0.000 1.019 226 K HN 0.445 nan 8.250 nan 0.000 0.475 227 I N 3.504 124.090 120.570 0.027 0.000 2.287 227 I HA 0.042 4.212 4.170 0.000 0.000 0.290 227 I C 1.072 177.205 176.117 0.027 0.000 1.069 227 I CA 0.131 61.447 61.300 0.026 0.000 1.237 227 I CB 0.045 38.063 38.000 0.030 0.000 1.418 227 I HN 0.717 nan 8.210 nan 0.000 0.481 228 S N 4.523 120.235 115.700 0.020 0.000 2.452 228 S HA 0.088 4.558 4.470 0.000 0.000 0.225 228 S C 0.888 175.497 174.600 0.015 0.000 1.057 228 S CA -0.064 58.146 58.200 0.017 0.000 0.949 228 S CB 0.161 63.369 63.200 0.013 0.000 0.836 228 S HN 0.622 nan 8.310 nan 0.000 0.518 229 N N 0.747 119.454 118.700 0.012 0.000 2.515 229 N HA 0.304 5.044 4.740 0.000 0.000 0.279 229 N C 0.339 175.855 175.510 0.010 0.000 1.164 229 N CA -0.181 52.874 53.050 0.009 0.000 0.982 229 N CB 1.119 39.609 38.487 0.006 0.000 1.170 229 N HN 0.147 nan 8.380 nan 0.000 0.474 230 I N 2.375 122.950 120.570 0.008 0.000 2.703 230 I HA 0.035 4.205 4.170 0.000 0.000 0.259 230 I C 2.427 178.545 176.117 0.003 0.000 1.151 230 I CA 0.263 61.568 61.300 0.008 0.000 1.470 230 I CB -0.584 37.419 38.000 0.007 0.000 1.112 230 I HN 0.601 nan 8.210 nan 0.000 0.437 231 R N 1.674 122.175 120.500 0.001 0.000 2.206 231 R HA -0.351 3.990 4.340 0.000 0.000 0.240 231 R C 2.112 178.411 176.300 -0.003 0.000 1.117 231 R CA 2.721 58.820 56.100 -0.001 0.000 0.915 231 R CB -0.370 29.929 30.300 -0.001 0.000 0.888 231 R HN 0.304 nan 8.270 nan 0.000 0.432 232 E N -0.020 120.179 120.200 -0.001 0.000 2.197 232 E HA -0.269 4.081 4.350 0.000 0.000 0.205 232 E C 1.884 178.481 176.600 -0.006 0.000 1.029 232 E CA 2.294 58.693 56.400 -0.002 0.000 0.828 232 E CB -0.282 29.419 29.700 0.002 0.000 0.737 232 E HN 0.357 nan 8.360 nan 0.000 0.464 233 M N -0.328 119.269 119.600 -0.006 0.000 2.132 233 M HA -0.033 4.447 4.480 0.000 0.000 0.263 233 M C 1.902 178.190 176.300 -0.020 0.000 1.065 233 M CA 1.173 56.466 55.300 -0.012 0.000 1.122 233 M CB -0.500 32.095 32.600 -0.008 0.000 1.365 233 M HN 0.075 nan 8.290 nan 0.000 0.411 234 L N 0.027 121.240 121.223 -0.016 0.000 2.095 234 L HA -0.324 4.016 4.340 0.000 0.000 0.229 234 L C -0.424 176.430 176.870 -0.027 0.000 1.097 234 L CA 2.029 56.858 54.840 -0.020 0.000 0.813 234 L CB -2.856 39.194 42.059 -0.014 0.000 0.907 234 L HN 0.260 nan 8.230 nan 0.000 0.445 235 P HA -0.158 nan 4.420 nan 0.000 0.211 235 P C 1.822 179.093 177.300 -0.048 0.000 1.179 235 P CA 2.496 65.577 63.100 -0.032 0.000 0.910 235 P CB -0.269 31.416 31.700 -0.025 0.000 0.785 236 V N -1.836 118.047 119.914 -0.052 0.000 2.307 236 V HA -0.174 3.946 4.120 0.000 0.000 0.245 236 V C 2.690 178.726 176.094 -0.096 0.000 1.045 236 V CA 1.561 63.814 62.300 -0.079 0.000 1.024 236 V CB -2.207 29.578 31.823 -0.064 0.000 0.651 236 V HN -0.092 nan 8.190 nan 0.000 0.449 237 L N 1.227 122.410 121.223 -0.067 0.000 2.137 237 L HA -0.218 4.122 4.340 0.000 0.000 0.213 237 L C 2.533 179.360 176.870 -0.071 0.000 1.085 237 L CA 2.635 57.438 54.840 -0.063 0.000 0.760 237 L CB -0.871 41.166 42.059 -0.038 0.000 0.893 237 L HN 0.693 nan 8.230 nan 0.000 0.434 238 E N -1.446 118.714 120.200 -0.067 0.000 2.190 238 E HA -0.060 4.290 4.350 0.000 0.000 0.191 238 E C 2.091 178.640 176.600 -0.086 0.000 0.978 238 E CA 0.647 57.010 56.400 -0.063 0.000 0.839 238 E CB -0.007 29.666 29.700 -0.046 0.000 0.787 238 E HN 0.554 nan 8.360 nan 0.000 0.473 239 A N 1.089 123.843 122.820 -0.110 0.000 1.877 239 A HA -0.144 4.176 4.320 0.000 0.000 0.216 239 A C 2.346 179.797 177.584 -0.221 0.000 1.186 239 A CA 1.747 53.697 52.037 -0.145 0.000 0.620 239 A CB -0.839 18.068 19.000 -0.155 0.000 0.822 239 A HN 0.307 nan 8.150 nan 0.000 0.443 240 V N -3.090 116.657 119.914 -0.278 0.000 3.217 240 V HA 0.226 4.346 4.120 0.000 0.000 0.264 240 V C 2.275 178.264 176.094 -0.176 0.000 1.135 240 V CA 1.308 63.390 62.300 -0.364 0.000 1.142 240 V CB -1.025 30.575 31.823 -0.372 0.000 0.754 240 V HN 0.479 nan 8.190 nan 0.000 0.484 241 A N 0.974 123.723 122.820 -0.118 0.000 1.897 241 A HA -0.024 4.296 4.320 0.000 0.000 0.215 241 A C 2.250 179.804 177.584 -0.051 0.000 1.181 241 A CA 1.639 53.636 52.037 -0.066 0.000 0.620 241 A CB -0.377 18.592 19.000 -0.052 0.000 0.821 241 A HN 0.561 nan 8.150 nan 0.000 0.443 242 K N -0.261 120.103 120.400 -0.060 0.000 2.444 242 K HA 0.258 4.578 4.320 0.000 0.000 0.193 242 K C 1.475 178.054 176.600 -0.034 0.000 1.024 242 K CA 0.502 56.766 56.287 -0.039 0.000 1.077 242 K CB 0.073 32.550 32.500 -0.037 0.000 0.833 242 K HN 0.395 nan 8.250 nan 0.000 0.517 243 A N 0.839 123.621 122.820 -0.064 0.000 2.251 243 A HA 0.159 4.479 4.320 0.000 0.000 0.209 243 A C 1.507 179.118 177.584 0.046 0.000 1.187 243 A CA 0.602 52.619 52.037 -0.033 0.000 0.823 243 A CB -0.463 18.413 19.000 -0.206 0.000 0.846 243 A HN 0.358 nan 8.150 nan 0.000 0.486 244 G N -0.250 108.561 108.800 0.019 0.000 2.309 244 G HA2 -0.316 3.644 3.960 0.000 0.000 0.286 244 G HA3 -0.316 3.644 3.960 0.000 0.000 0.286 244 G C 0.227 175.171 174.900 0.073 0.000 1.002 244 G CA 1.281 46.403 45.100 0.037 0.000 0.786 244 G HN 0.619 nan 8.290 nan 0.000 0.511 245 K N -0.208 120.263 120.400 0.119 0.000 2.328 245 K HA 0.511 4.832 4.320 0.000 0.000 0.246 245 K C -2.381 174.311 176.600 0.153 0.000 0.955 245 K CA -2.227 54.171 56.287 0.185 0.000 0.817 245 K CB 2.094 34.841 32.500 0.412 0.000 1.208 245 K HN -0.062 nan 8.250 nan 0.000 0.432 246 P HA 0.137 nan 4.420 nan 0.000 0.288 246 P C -1.223 176.155 177.300 0.130 0.000 1.291 246 P CA -0.572 62.574 63.100 0.076 0.000 0.766 246 P CB 0.469 32.193 31.700 0.040 0.000 1.242 247 L N 0.086 121.348 121.223 0.064 0.000 2.611 247 L HA 0.399 4.739 4.340 0.000 0.000 0.260 247 L C -1.998 174.882 176.870 0.017 0.000 0.924 247 L CA -0.662 54.228 54.840 0.083 0.000 0.901 247 L CB 1.468 43.557 42.059 0.051 0.000 1.369 247 L HN 0.260 nan 8.230 nan 0.000 0.415 248 L N 5.004 126.251 121.223 0.040 0.000 2.334 248 L HA 0.684 5.024 4.340 0.000 0.000 0.272 248 L C -0.954 175.936 176.870 0.034 0.000 1.020 248 L CA -0.514 54.336 54.840 0.015 0.000 0.812 248 L CB 2.024 44.100 42.059 0.029 0.000 1.264 248 L HN 0.711 nan 8.230 nan 0.000 0.439 249 I N 3.738 124.326 120.570 0.031 0.000 2.828 249 I HA 0.510 4.680 4.170 0.000 0.000 0.302 249 I C -0.825 175.335 176.117 0.073 0.000 1.101 249 I CA -0.707 60.620 61.300 0.046 0.000 1.031 249 I CB 2.757 40.776 38.000 0.031 0.000 1.231 249 I HN 0.459 nan 8.210 nan 0.000 0.427 250 I N 3.500 124.109 120.570 0.065 0.000 2.627 250 I HA 0.701 4.871 4.170 0.000 0.000 0.288 250 I C -0.557 175.581 176.117 0.035 0.000 1.202 250 I CA -0.176 61.162 61.300 0.063 0.000 1.050 250 I CB 1.912 39.956 38.000 0.073 0.000 1.264 250 I HN 0.770 nan 8.210 nan 0.000 0.429 251 A N 4.520 127.358 122.820 0.029 0.000 2.493 251 A HA 0.531 4.851 4.320 0.000 0.000 0.300 251 A C 0.418 178.013 177.584 0.018 0.000 1.152 251 A CA -0.471 51.577 52.037 0.019 0.000 0.643 251 A CB 1.010 20.026 19.000 0.026 0.000 1.316 251 A HN 0.539 nan 8.150 nan 0.000 0.469 252 E N 0.393 120.604 120.200 0.018 0.000 2.035 252 E HA -0.157 4.193 4.350 0.000 0.000 0.204 252 E C 0.098 176.716 176.600 0.031 0.000 1.025 252 E CA 2.130 58.543 56.400 0.022 0.000 0.835 252 E CB 0.052 29.766 29.700 0.023 0.000 0.764 252 E HN 0.608 nan 8.360 nan 0.000 0.457 253 D N -2.517 117.904 120.400 0.036 0.000 2.865 253 D HA 0.211 4.851 4.640 0.000 0.000 0.343 253 D C -1.628 174.703 176.300 0.051 0.000 1.372 253 D CA -0.438 53.590 54.000 0.047 0.000 0.862 253 D CB 1.460 42.284 40.800 0.039 0.000 1.425 253 D HN -0.178 nan 8.370 nan 0.000 0.501 254 V N 1.700 121.649 119.914 0.058 0.000 2.559 254 V HA 0.272 4.392 4.120 0.000 0.000 0.289 254 V C -0.820 175.303 176.094 0.049 0.000 1.036 254 V CA -0.742 61.593 62.300 0.059 0.000 0.887 254 V CB 1.498 33.373 31.823 0.086 0.000 1.022 254 V HN 0.369 nan 8.190 nan 0.000 0.442 255 E N 2.410 122.630 120.200 0.034 0.000 2.373 255 E HA 0.388 4.738 4.350 0.000 0.000 0.267 255 E C 1.502 178.113 176.600 0.019 0.000 1.032 255 E CA 0.758 57.171 56.400 0.022 0.000 0.889 255 E CB 1.198 30.907 29.700 0.015 0.000 0.984 255 E HN 0.699 nan 8.360 nan 0.000 0.425 256 G N 2.879 111.683 108.800 0.007 0.000 2.656 256 G HA2 -0.465 3.495 3.960 0.000 0.000 0.223 256 G HA3 -0.465 3.495 3.960 0.000 0.000 0.223 256 G C 1.310 176.209 174.900 -0.002 0.000 1.130 256 G CA 1.516 46.612 45.100 -0.006 0.000 0.758 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.428 120.628 120.200 0.000 0.000 2.082 257 E HA -0.248 4.102 4.350 0.000 0.000 0.215 257 E C 2.650 179.255 176.600 0.008 0.000 1.048 257 E CA 1.923 58.324 56.400 0.001 0.000 0.869 257 E CB -0.411 29.291 29.700 0.004 0.000 0.773 257 E HN 0.437 nan 8.360 nan 0.000 0.466 258 A N 0.483 123.313 122.820 0.017 0.000 2.030 258 A HA 0.064 4.384 4.320 0.000 0.000 0.215 258 A C 2.094 179.704 177.584 0.044 0.000 1.164 258 A CA 0.532 52.585 52.037 0.027 0.000 0.697 258 A CB -0.380 18.637 19.000 0.029 0.000 0.827 258 A HN 0.418 nan 8.150 nan 0.000 0.457 259 L N -0.302 120.949 121.223 0.046 0.000 1.938 259 L HA -0.060 4.280 4.340 0.000 0.000 0.212 259 L C 2.820 179.714 176.870 0.041 0.000 1.085 259 L CA 1.578 56.459 54.840 0.069 0.000 0.760 259 L CB -0.616 41.472 42.059 0.050 0.000 0.888 259 L HN 0.349 nan 8.230 nan 0.000 0.433 260 A N -0.141 122.670 122.820 -0.015 0.000 1.954 260 A HA -0.372 3.948 4.320 0.000 0.000 0.222 260 A C 2.287 179.848 177.584 -0.038 0.000 1.199 260 A CA 3.343 55.341 52.037 -0.064 0.000 0.657 260 A CB -1.712 17.247 19.000 -0.069 0.000 0.823 260 A HN 0.764 nan 8.150 nan 0.000 0.463 261 T N -1.085 113.466 114.554 -0.005 0.000 2.580 261 T HA -0.205 4.145 4.350 0.000 0.000 0.265 261 T C 1.826 176.547 174.700 0.035 0.000 1.063 261 T CA 1.663 63.767 62.100 0.007 0.000 1.170 261 T CB -0.899 67.976 68.868 0.013 0.000 0.863 261 T HN 0.351 nan 8.240 nan 0.000 0.418 262 L N 0.941 122.209 121.223 0.075 0.000 2.013 262 L HA -0.140 4.200 4.340 0.000 0.000 0.212 262 L C 3.046 180.037 176.870 0.202 0.000 1.073 262 L CA 1.405 56.321 54.840 0.127 0.000 0.753 262 L CB -1.083 41.076 42.059 0.167 0.000 0.890 262 L HN 0.188 nan 8.230 nan 0.000 0.432 263 V N -0.388 119.655 119.914 0.215 0.000 2.277 263 V HA -0.330 3.790 4.120 0.000 0.000 0.253 263 V C 2.383 178.523 176.094 0.077 0.000 1.067 263 V CA 2.137 64.517 62.300 0.133 0.000 1.047 263 V CB -0.550 31.148 31.823 -0.208 0.000 0.649 263 V HN 0.248 nan 8.190 nan 0.000 0.447 264 V N 0.236 120.153 119.914 0.006 0.000 2.346 264 V HA -0.196 3.924 4.120 0.000 0.000 0.244 264 V C 2.396 178.515 176.094 0.041 0.000 1.037 264 V CA 1.943 64.247 62.300 0.005 0.000 1.029 264 V CB -0.972 30.836 31.823 -0.025 0.000 0.663 264 V HN 0.649 nan 8.190 nan 0.000 0.454 265 N N 0.867 119.594 118.700 0.045 0.000 2.184 265 N HA -0.232 4.508 4.740 0.000 0.000 0.190 265 N C 1.824 177.366 175.510 0.053 0.000 1.011 265 N CA 2.558 55.633 53.050 0.042 0.000 0.867 265 N CB -0.010 38.501 38.487 0.040 0.000 0.993 265 N HN 0.734 nan 8.380 nan 0.000 0.433 266 T N -1.209 113.400 114.554 0.092 0.000 2.898 266 T HA 0.038 4.388 4.350 0.000 0.000 0.241 266 T C 1.463 176.222 174.700 0.098 0.000 1.024 266 T CA 0.327 62.487 62.100 0.101 0.000 1.174 266 T CB -0.597 68.371 68.868 0.166 0.000 0.873 266 T HN 0.282 nan 8.240 nan 0.000 0.422 267 M N 1.851 121.527 119.600 0.128 0.000 2.921 267 M HA 0.515 4.995 4.480 0.000 0.000 0.319 267 M C 0.516 176.857 176.300 0.068 0.000 1.710 267 M CA 0.672 56.040 55.300 0.112 0.000 1.471 267 M CB -1.276 31.422 32.600 0.164 0.000 1.832 267 M HN 0.610 nan 8.290 nan 0.000 0.467 268 R N 1.009 121.538 120.500 0.048 0.000 3.125 268 R HA 0.093 4.433 4.340 0.000 0.000 0.258 268 R C -0.341 175.975 176.300 0.027 0.000 0.968 268 R CA 0.809 56.926 56.100 0.029 0.000 0.656 268 R CB -3.035 27.280 30.300 0.025 0.000 1.251 268 R HN 1.658 nan 8.270 nan 0.000 0.428 269 G N -1.102 107.714 108.800 0.027 0.000 2.695 269 G HA2 0.720 4.681 3.960 0.000 0.000 0.290 269 G HA3 0.720 4.681 3.960 0.000 0.000 0.290 269 G C 0.926 175.834 174.900 0.015 0.000 1.410 269 G CA -0.260 44.853 45.100 0.021 0.000 0.844 269 G HN 0.535 nan 8.290 nan 0.000 0.478 270 I N -0.302 120.274 120.570 0.009 0.000 2.107 270 I HA -0.115 4.055 4.170 0.000 0.000 0.204 270 I C 1.036 177.154 176.117 0.003 0.000 1.033 270 I CA 0.823 62.125 61.300 0.004 0.000 1.346 270 I CB -0.481 37.518 38.000 -0.001 0.000 1.111 270 I HN 0.034 nan 8.210 nan 0.000 0.395 271 V N 2.619 122.532 119.914 -0.002 0.000 2.425 271 V HA -0.013 4.107 4.120 0.000 0.000 0.276 271 V C 0.250 176.341 176.094 -0.004 0.000 1.017 271 V CA 0.097 62.392 62.300 -0.008 0.000 1.062 271 V CB -0.092 31.719 31.823 -0.019 0.000 0.997 271 V HN 0.262 nan 8.190 nan 0.000 0.476 272 K N 5.062 125.460 120.400 -0.003 0.000 2.281 272 K HA 0.626 4.946 4.320 0.000 0.000 0.272 272 K C -0.515 176.062 176.600 -0.037 0.000 1.048 272 K CA -0.387 55.897 56.287 -0.005 0.000 0.898 272 K CB 1.205 33.710 32.500 0.007 0.000 1.128 272 K HN 0.676 nan 8.250 nan 0.000 0.460 273 V N -0.264 119.599 119.914 -0.085 0.000 3.076 273 V HA 0.998 5.118 4.120 0.000 0.000 0.311 273 V C -1.363 174.476 176.094 -0.424 0.000 1.346 273 V CA -0.823 61.377 62.300 -0.167 0.000 1.056 273 V CB 1.481 33.235 31.823 -0.116 0.000 1.093 273 V HN 0.764 nan 8.190 nan 0.000 0.468 274 A N -0.651 121.865 122.820 -0.506 0.000 2.567 274 A HA 1.059 5.379 4.320 0.000 0.000 0.291 274 A C -0.627 176.707 177.584 -0.417 0.000 1.048 274 A CA -0.159 51.274 52.037 -1.007 0.000 0.661 274 A CB 0.830 19.028 19.000 -1.337 0.000 1.288 274 A HN 2.759 nan 8.150 nan 0.000 0.424 275 A N -0.555 122.119 122.820 -0.245 0.000 2.564 275 A HA 1.012 5.332 4.320 0.000 0.000 0.288 275 A C -0.603 177.084 177.584 0.171 0.000 1.164 275 A CA -0.088 51.961 52.037 0.021 0.000 0.712 275 A CB 1.230 20.259 19.000 0.047 0.000 1.303 275 A HN 2.465 nan 8.150 nan 0.000 0.418 276 V N -2.058 117.957 119.914 0.168 0.000 3.087 276 V HA 0.642 4.762 4.120 0.000 0.000 0.306 276 V C -0.532 175.650 176.094 0.147 0.000 1.187 276 V CA -1.208 61.211 62.300 0.199 0.000 0.999 276 V CB 1.281 33.249 31.823 0.242 0.000 1.049 276 V HN 0.957 nan 8.190 nan 0.000 0.431 277 K N 1.635 122.106 120.400 0.118 0.000 2.344 277 K HA 0.569 4.889 4.320 0.000 0.000 0.260 277 K C 0.392 176.989 176.600 -0.004 0.000 0.988 277 K CA 0.597 56.919 56.287 0.057 0.000 0.909 277 K CB 0.495 33.022 32.500 0.046 0.000 0.968 277 K HN 1.165 nan 8.250 nan 0.000 0.505 278 A N 2.638 125.424 122.820 -0.057 0.000 2.293 278 A HA 0.410 4.730 4.320 0.000 0.000 0.302 278 A C -2.153 175.290 177.584 -0.235 0.000 1.119 278 A CA -1.535 50.396 52.037 -0.177 0.000 0.823 278 A CB 0.111 19.045 19.000 -0.109 0.000 1.097 278 A HN 0.506 nan 8.150 nan 0.000 0.491 279 P HA 0.375 nan 4.420 nan 0.000 0.273 279 P C 0.523 177.748 177.300 -0.124 0.000 1.250 279 P CA 1.149 64.050 63.100 -0.331 0.000 0.793 279 P CB 0.352 31.724 31.700 -0.546 0.000 1.011 280 G N 0.429 109.225 108.800 -0.006 0.000 2.881 280 G HA2 -0.070 3.890 3.960 0.000 0.000 0.681 280 G HA3 -0.070 3.890 3.960 0.000 0.000 0.681 280 G C -0.834 174.151 174.900 0.142 0.000 1.567 280 G CA -0.253 44.867 45.100 0.032 0.000 1.013 280 G HN 0.631 nan 8.290 nan 0.000 0.580 281 F N 0.056 119.990 119.950 -0.026 0.000 2.539 281 F HA 0.805 5.332 4.527 0.000 0.000 0.318 281 F C 0.880 176.676 175.800 -0.006 0.000 1.135 281 F CA -0.360 57.631 58.000 -0.015 0.000 0.915 281 F CB 1.264 40.263 39.000 -0.002 0.000 1.176 281 F HN 2.293 nan 8.300 nan 0.000 0.440 282 G N 2.779 111.602 108.800 0.038 0.000 2.512 282 G HA2 -0.304 3.656 3.960 0.000 0.000 0.254 282 G HA3 -0.304 3.656 3.960 0.000 0.000 0.254 282 G C 0.443 175.288 174.900 -0.091 0.000 1.199 282 G CA 0.323 45.409 45.100 -0.024 0.000 0.941 282 G HN 0.719 nan 8.290 nan 0.000 0.569 283 D N 0.254 120.594 120.400 -0.099 0.000 2.200 283 D HA -0.182 4.458 4.640 0.000 0.000 0.192 283 D C 2.405 178.630 176.300 -0.126 0.000 1.008 283 D CA 1.891 55.833 54.000 -0.096 0.000 0.872 283 D CB -0.157 40.590 40.800 -0.088 0.000 0.923 283 D HN 0.361 nan 8.370 nan 0.000 0.447 284 R N 0.772 121.151 120.500 -0.202 0.000 2.082 284 R HA -0.131 4.209 4.340 0.000 0.000 0.234 284 R C 2.376 178.590 176.300 -0.142 0.000 1.136 284 R CA 1.801 57.777 56.100 -0.207 0.000 0.935 284 R CB -0.497 29.608 30.300 -0.325 0.000 0.842 284 R HN 0.366 nan 8.270 nan 0.000 0.430 285 R N 0.949 121.374 120.500 -0.126 0.000 2.119 285 R HA -0.202 4.138 4.340 0.000 0.000 0.246 285 R C 1.534 177.792 176.300 -0.071 0.000 1.146 285 R CA 1.572 57.620 56.100 -0.086 0.000 0.962 285 R CB -0.504 29.766 30.300 -0.051 0.000 0.863 285 R HN 0.028 nan 8.270 nan 0.000 0.442 286 K N 1.138 121.501 120.400 -0.063 0.000 1.977 286 K HA -0.246 4.074 4.320 0.000 0.000 0.231 286 K C 2.314 178.886 176.600 -0.046 0.000 1.040 286 K CA 2.074 58.332 56.287 -0.047 0.000 1.029 286 K CB -1.057 31.416 32.500 -0.046 0.000 0.737 286 K HN 0.376 nan 8.250 nan 0.000 0.446 287 A N 1.988 124.777 122.820 -0.052 0.000 1.873 287 A HA -0.238 4.082 4.320 0.000 0.000 0.218 287 A C 2.324 179.881 177.584 -0.045 0.000 1.193 287 A CA 2.553 54.563 52.037 -0.045 0.000 0.629 287 A CB -0.561 18.408 19.000 -0.051 0.000 0.826 287 A HN 0.336 nan 8.150 nan 0.000 0.447 288 M N -1.464 118.098 119.600 -0.062 0.000 2.345 288 M HA -0.282 4.198 4.480 0.000 0.000 0.253 288 M C 2.230 178.497 176.300 -0.055 0.000 1.068 288 M CA 2.268 57.527 55.300 -0.068 0.000 1.069 288 M CB -1.407 31.133 32.600 -0.100 0.000 1.292 288 M HN 0.512 nan 8.290 nan 0.000 0.430 289 L N 0.357 121.547 121.223 -0.056 0.000 2.027 289 L HA -0.198 4.142 4.340 0.000 0.000 0.206 289 L C 2.525 179.388 176.870 -0.011 0.000 1.074 289 L CA 2.036 56.855 54.840 -0.036 0.000 0.745 289 L CB -0.960 41.080 42.059 -0.033 0.000 0.898 289 L HN 0.328 nan 8.230 nan 0.000 0.433 290 Q N 0.219 120.010 119.800 -0.015 0.000 2.062 290 Q HA -0.286 4.054 4.340 0.000 0.000 0.209 290 Q C 1.761 177.761 176.000 0.000 0.000 0.996 290 Q CA 2.577 58.376 55.803 -0.007 0.000 0.859 290 Q CB -0.639 28.092 28.738 -0.013 0.000 0.920 290 Q HN 0.634 nan 8.270 nan 0.000 0.415 291 D N -0.189 120.209 120.400 -0.002 0.000 2.133 291 D HA -0.207 4.433 4.640 0.000 0.000 0.192 291 D C 1.845 178.157 176.300 0.021 0.000 1.001 291 D CA 1.908 55.911 54.000 0.006 0.000 0.844 291 D CB -0.330 40.474 40.800 0.006 0.000 0.944 291 D HN 0.403 nan 8.370 nan 0.000 0.447 292 I N 0.750 121.339 120.570 0.032 0.000 2.208 292 I HA -0.307 3.863 4.170 0.000 0.000 0.245 292 I C 2.457 178.596 176.117 0.038 0.000 1.097 292 I CA 1.096 62.427 61.300 0.053 0.000 1.363 292 I CB -0.404 37.642 38.000 0.077 0.000 1.051 292 I HN -0.004 nan 8.210 nan 0.000 0.413 293 A N 0.901 123.737 122.820 0.027 0.000 1.859 293 A HA -0.262 4.058 4.320 0.000 0.000 0.217 293 A C 2.391 179.985 177.584 0.017 0.000 1.198 293 A CA 2.833 54.884 52.037 0.022 0.000 0.629 293 A CB -1.331 17.678 19.000 0.016 0.000 0.830 293 A HN 0.412 nan 8.150 nan 0.000 0.446 294 T N 0.228 114.790 114.554 0.013 0.000 2.565 294 T HA -0.276 4.074 4.350 0.000 0.000 0.265 294 T C 1.828 176.532 174.700 0.008 0.000 1.082 294 T CA 1.951 64.056 62.100 0.008 0.000 1.173 294 T CB -0.668 68.204 68.868 0.006 0.000 0.864 294 T HN 0.370 nan 8.240 nan 0.000 0.425 295 L N 1.563 122.793 121.223 0.012 0.000 2.012 295 L HA -0.099 4.241 4.340 0.000 0.000 0.210 295 L C 2.620 179.492 176.870 0.005 0.000 1.073 295 L CA 2.551 57.397 54.840 0.010 0.000 0.748 295 L CB -1.322 40.747 42.059 0.018 0.000 0.891 295 L HN 0.540 nan 8.230 nan 0.000 0.431 296 T N -3.597 110.964 114.554 0.010 0.000 3.088 296 T HA 0.241 4.591 4.350 0.000 0.000 0.259 296 T C 1.416 176.115 174.700 -0.001 0.000 1.122 296 T CA 0.380 62.482 62.100 0.002 0.000 1.095 296 T CB -0.583 68.293 68.868 0.015 0.000 0.930 296 T HN 0.738 nan 8.240 nan 0.000 0.508 297 G N 0.765 109.568 108.800 0.005 0.000 2.221 297 G HA2 -0.002 3.958 3.960 0.000 0.000 0.265 297 G HA3 -0.002 3.958 3.960 0.000 0.000 0.265 297 G C 0.276 175.185 174.900 0.015 0.000 1.041 297 G CA -0.185 44.919 45.100 0.006 0.000 0.807 297 G HN 1.036 nan 8.290 nan 0.000 0.502 298 G N -1.272 107.541 108.800 0.022 0.000 2.461 298 G HA2 0.684 4.644 3.960 0.000 0.000 0.329 298 G HA3 0.684 4.644 3.960 0.000 0.000 0.329 298 G C -0.093 174.825 174.900 0.029 0.000 1.170 298 G CA 0.178 45.299 45.100 0.034 0.000 0.935 298 G HN 0.472 nan 8.290 nan 0.000 0.492 299 T N 0.386 114.959 114.554 0.032 0.000 2.845 299 T HA 0.417 4.767 4.350 0.000 0.000 0.288 299 T C 0.453 175.166 174.700 0.022 0.000 0.980 299 T CA -0.256 61.858 62.100 0.024 0.000 1.071 299 T CB 1.331 70.213 68.868 0.023 0.000 0.941 299 T HN 0.727 nan 8.240 nan 0.000 0.487 300 V N 1.694 121.616 119.914 0.015 0.000 2.383 300 V HA 0.523 4.643 4.120 0.000 0.000 0.275 300 V C -0.267 175.833 176.094 0.009 0.000 1.036 300 V CA -0.932 61.375 62.300 0.012 0.000 0.889 300 V CB 0.120 31.947 31.823 0.006 0.000 0.985 300 V HN 0.638 nan 8.190 nan 0.000 0.459 301 I N 4.728 125.304 120.570 0.010 0.000 2.260 301 I HA 0.288 4.458 4.170 0.000 0.000 0.297 301 I C 0.788 176.909 176.117 0.006 0.000 1.143 301 I CA 0.789 62.094 61.300 0.008 0.000 1.271 301 I CB 0.231 38.237 38.000 0.010 0.000 1.461 301 I HN 0.671 nan 8.210 nan 0.000 0.530 302 S N 5.146 120.848 115.700 0.004 0.000 2.457 302 S HA 0.268 4.738 4.470 0.000 0.000 0.289 302 S C 1.110 175.712 174.600 0.003 0.000 1.163 302 S CA -0.687 57.515 58.200 0.002 0.000 1.078 302 S CB 1.353 64.553 63.200 -0.000 0.000 0.987 302 S HN 0.448 nan 8.310 nan 0.000 0.482 303 E N 2.200 122.402 120.200 0.003 0.000 2.274 303 E HA -0.089 4.261 4.350 0.000 0.000 0.194 303 E C 0.569 177.170 176.600 0.002 0.000 0.996 303 E CA 0.670 57.072 56.400 0.003 0.000 0.840 303 E CB 0.008 29.711 29.700 0.004 0.000 0.772 303 E HN 0.713 nan 8.360 nan 0.000 0.491 304 E N 0.198 120.399 120.200 0.001 0.000 2.382 304 E HA 0.049 4.399 4.350 0.000 0.000 0.190 304 E C 1.021 177.621 176.600 -0.000 0.000 1.125 304 E CA 0.075 56.475 56.400 0.000 0.000 0.929 304 E CB 0.077 29.776 29.700 -0.001 0.000 1.053 304 E HN 0.250 nan 8.360 nan 0.000 0.475 305 I N -1.636 118.934 120.570 0.001 0.000 4.541 305 I HA 0.153 4.323 4.170 0.000 0.000 0.337 305 I C 1.225 177.343 176.117 0.001 0.000 1.338 305 I CA -0.021 61.279 61.300 0.001 0.000 1.244 305 I CB 1.161 39.162 38.000 0.001 0.000 1.417 305 I HN 0.215 nan 8.210 nan 0.000 0.501 306 G N 2.018 110.819 108.800 0.001 0.000 2.179 306 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 306 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 306 G C 0.345 175.246 174.900 0.002 0.000 0.977 306 G CA 0.025 45.126 45.100 0.002 0.000 0.641 306 G HN 0.286 nan 8.290 nan 0.000 0.533 307 M N 0.812 120.413 119.600 0.002 0.000 2.200 307 M HA 0.487 4.968 4.480 0.000 0.000 0.355 307 M C 0.482 176.783 176.300 0.003 0.000 1.283 307 M CA 0.302 55.604 55.300 0.003 0.000 1.124 307 M CB 1.129 33.731 32.600 0.003 0.000 1.625 307 M HN 0.348 nan 8.290 nan 0.000 0.463 308 E N 2.151 122.352 120.200 0.002 0.000 2.334 308 E HA 0.399 4.749 4.350 0.000 0.000 0.256 308 E C 0.106 176.707 176.600 0.002 0.000 0.958 308 E CA -0.622 55.779 56.400 0.002 0.000 0.821 308 E CB 1.443 31.143 29.700 0.001 0.000 1.269 308 E HN 0.730 nan 8.360 nan 0.000 0.413 309 L N 0.542 121.766 121.223 0.002 0.000 2.162 309 L HA -0.000 4.340 4.340 0.000 0.000 0.205 309 L C 2.084 178.951 176.870 -0.004 0.000 1.086 309 L CA 0.774 55.615 54.840 0.000 0.000 0.778 309 L CB -0.328 41.732 42.059 0.002 0.000 0.928 309 L HN 0.582 nan 8.230 nan 0.000 0.446 310 E N 0.780 120.977 120.200 -0.004 0.000 2.153 310 E HA -0.165 4.185 4.350 0.000 0.000 0.194 310 E C 0.433 177.028 176.600 -0.008 0.000 0.988 310 E CA 0.887 57.283 56.400 -0.007 0.000 0.811 310 E CB -0.009 29.688 29.700 -0.006 0.000 0.746 310 E HN 0.226 nan 8.360 nan 0.000 0.466 311 K N 0.937 121.334 120.400 -0.005 0.000 2.307 311 K HA 0.357 4.677 4.320 0.000 0.000 0.240 311 K C -1.014 175.584 176.600 -0.003 0.000 1.214 311 K CA -0.059 56.226 56.287 -0.004 0.000 1.149 311 K CB 1.068 33.567 32.500 -0.001 0.000 1.668 311 K HN 0.066 nan 8.250 nan 0.000 0.314 312 A N 0.429 123.245 122.820 -0.006 0.000 2.547 312 A HA 0.559 4.879 4.320 0.000 0.000 0.298 312 A C -0.671 176.906 177.584 -0.012 0.000 1.062 312 A CA -0.783 51.252 52.037 -0.005 0.000 0.748 312 A CB 1.089 20.088 19.000 -0.002 0.000 1.288 312 A HN 0.253 nan 8.150 nan 0.000 0.396 313 T N 1.966 116.516 114.554 -0.007 0.000 2.926 313 T HA 0.476 4.827 4.350 0.000 0.000 0.289 313 T C 1.309 176.007 174.700 -0.003 0.000 1.054 313 T CA -0.556 61.535 62.100 -0.015 0.000 1.015 313 T CB 0.980 69.842 68.868 -0.009 0.000 1.167 313 T HN 0.498 nan 8.240 nan 0.000 0.526 314 L N 1.153 122.365 121.223 -0.018 0.000 2.103 314 L HA -0.216 4.125 4.340 0.000 0.000 0.215 314 L C 2.599 179.527 176.870 0.098 0.000 1.080 314 L CA 1.872 56.731 54.840 0.032 0.000 0.764 314 L CB -1.166 40.903 42.059 0.017 0.000 0.890 314 L HN 0.855 nan 8.230 nan 0.000 0.435 315 E N -0.782 119.455 120.200 0.062 0.000 2.273 315 E HA -0.257 4.093 4.350 0.000 0.000 0.198 315 E C 0.957 177.588 176.600 0.053 0.000 1.002 315 E CA 1.573 58.007 56.400 0.057 0.000 0.828 315 E CB -0.423 29.298 29.700 0.034 0.000 0.747 315 E HN 0.600 nan 8.360 nan 0.000 0.491 316 D N 0.266 120.695 120.400 0.049 0.000 2.346 316 D HA 0.073 4.713 4.640 0.000 0.000 0.206 316 D C 0.227 176.563 176.300 0.061 0.000 1.001 316 D CA 0.106 54.132 54.000 0.043 0.000 0.871 316 D CB 0.247 41.064 40.800 0.028 0.000 0.943 316 D HN 0.126 nan 8.370 nan 0.000 0.518 317 L N 0.892 122.173 121.223 0.097 0.000 2.436 317 L HA 0.367 4.707 4.340 0.000 0.000 0.265 317 L C 1.393 178.337 176.870 0.123 0.000 1.168 317 L CA -0.083 54.840 54.840 0.139 0.000 0.815 317 L CB 0.931 43.142 42.059 0.253 0.000 1.109 317 L HN -0.161 nan 8.230 nan 0.000 0.462 318 G N 0.679 109.536 108.800 0.094 0.000 2.532 318 G HA2 0.652 4.612 3.960 0.000 0.000 0.291 318 G HA3 0.652 4.612 3.960 0.000 0.000 0.291 318 G C -1.016 173.885 174.900 0.000 0.000 1.349 318 G CA -0.317 44.809 45.100 0.043 0.000 1.038 318 G HN 0.509 nan 8.290 nan 0.000 0.518 319 Q N -1.978 117.791 119.800 -0.051 0.000 2.426 319 Q HA 0.558 4.898 4.340 0.000 0.000 0.278 319 Q C -1.300 174.644 176.000 -0.094 0.000 1.007 319 Q CA -0.766 54.958 55.803 -0.131 0.000 0.850 319 Q CB 2.536 31.129 28.738 -0.243 0.000 1.427 319 Q HN 0.912 nan 8.270 nan 0.000 0.391 320 A N 0.906 123.665 122.820 -0.103 0.000 2.572 320 A HA 0.450 4.770 4.320 0.000 0.000 0.295 320 A C -0.475 177.059 177.584 -0.084 0.000 1.072 320 A CA -0.634 51.359 52.037 -0.073 0.000 0.691 320 A CB 1.425 20.396 19.000 -0.048 0.000 1.291 320 A HN 0.722 nan 8.150 nan 0.000 0.404 321 K N -0.094 120.266 120.400 -0.068 0.000 2.288 321 K HA 0.059 4.379 4.320 0.000 0.000 0.201 321 K C 0.596 177.165 176.600 -0.052 0.000 1.048 321 K CA 1.054 57.303 56.287 -0.063 0.000 0.956 321 K CB 0.119 32.589 32.500 -0.051 0.000 0.746 321 K HN 0.567 nan 8.250 nan 0.000 0.461 322 R N -1.101 119.371 120.500 -0.047 0.000 2.741 322 R HA 0.471 4.811 4.340 0.000 0.000 0.274 322 R C -1.996 174.280 176.300 -0.040 0.000 1.029 322 R CA -0.719 55.358 56.100 -0.039 0.000 0.880 322 R CB 2.483 32.762 30.300 -0.035 0.000 1.264 322 R HN -0.105 nan 8.270 nan 0.000 0.465 323 V N 0.961 120.853 119.914 -0.035 0.000 3.022 323 V HA 0.543 4.663 4.120 0.000 0.000 0.272 323 V C -1.961 174.116 176.094 -0.029 0.000 1.584 323 V CA -0.537 61.738 62.300 -0.041 0.000 0.974 323 V CB 2.124 33.925 31.823 -0.037 0.000 1.219 323 V HN 0.622 nan 8.190 nan 0.000 0.450 324 V N 4.148 124.040 119.914 -0.036 0.000 2.808 324 V HA 0.874 4.995 4.120 0.000 0.000 0.308 324 V C -1.214 174.878 176.094 -0.005 0.000 1.099 324 V CA -0.652 61.642 62.300 -0.009 0.000 0.920 324 V CB 1.751 33.569 31.823 -0.008 0.000 1.014 324 V HN 0.799 nan 8.190 nan 0.000 0.425 325 I N 5.051 125.656 120.570 0.058 0.000 2.569 325 I HA 0.638 4.808 4.170 0.000 0.000 0.296 325 I C -0.060 176.160 176.117 0.173 0.000 1.028 325 I CA -0.319 61.038 61.300 0.095 0.000 1.082 325 I CB 2.124 40.230 38.000 0.176 0.000 1.264 325 I HN 0.985 nan 8.210 nan 0.000 0.429 326 N N 4.483 123.235 118.700 0.086 0.000 2.653 326 N HA 0.310 5.050 4.740 0.000 0.000 0.294 326 N C 0.668 176.054 175.510 -0.207 0.000 1.305 326 N CA -0.797 52.310 53.050 0.095 0.000 0.827 326 N CB 1.190 39.706 38.487 0.050 0.000 1.415 326 N HN 0.577 nan 8.380 nan 0.000 0.546 327 K N -0.413 119.872 120.400 -0.191 0.000 2.169 327 K HA -0.256 4.064 4.320 0.000 0.000 0.213 327 K C -0.573 175.686 176.600 -0.567 0.000 1.050 327 K CA 2.820 58.808 56.287 -0.498 0.000 0.935 327 K CB -0.379 32.058 32.500 -0.106 0.000 0.722 327 K HN 0.828 nan 8.250 nan 0.000 0.468 328 D N -1.575 118.659 120.400 -0.276 0.000 3.118 328 D HA 0.142 4.782 4.640 0.000 0.000 0.352 328 D C -1.138 175.126 176.300 -0.060 0.000 1.498 328 D CA -0.457 53.445 54.000 -0.163 0.000 0.759 328 D CB 0.475 41.219 40.800 -0.094 0.000 1.251 328 D HN -0.022 nan 8.370 nan 0.000 0.504 329 T N -0.135 114.382 114.554 -0.061 0.000 3.578 329 T HA 0.420 4.770 4.350 0.000 0.000 0.343 329 T C -0.929 173.723 174.700 -0.080 0.000 1.126 329 T CA -0.396 61.687 62.100 -0.029 0.000 1.092 329 T CB 1.896 70.748 68.868 -0.027 0.000 1.160 329 T HN -0.040 nan 8.240 nan 0.000 0.469 330 T N 2.437 116.882 114.554 -0.182 0.000 2.859 330 T HA 0.769 5.119 4.350 0.000 0.000 0.281 330 T C -0.301 174.048 174.700 -0.584 0.000 1.005 330 T CA -0.565 61.331 62.100 -0.341 0.000 1.025 330 T CB 1.683 70.353 68.868 -0.330 0.000 0.977 330 T HN 0.621 nan 8.240 nan 0.000 0.458 331 T N 3.010 117.346 114.554 -0.364 0.000 3.172 331 T HA 0.571 4.921 4.350 0.000 0.000 0.320 331 T C -0.575 174.012 174.700 -0.188 0.000 1.085 331 T CA -0.824 61.094 62.100 -0.303 0.000 1.052 331 T CB 0.178 68.932 68.868 -0.190 0.000 1.107 331 T HN 0.582 nan 8.240 nan 0.000 0.458 332 I N 2.467 122.938 120.570 -0.165 0.000 2.918 332 I HA 0.730 4.900 4.170 0.000 0.000 0.316 332 I C -0.720 175.356 176.117 -0.067 0.000 1.001 332 I CA -1.250 59.996 61.300 -0.090 0.000 1.142 332 I CB 1.509 39.474 38.000 -0.058 0.000 1.356 332 I HN 0.543 nan 8.210 nan 0.000 0.524 333 I N 2.223 122.763 120.570 -0.051 0.000 2.497 333 I HA 0.260 4.430 4.170 0.000 0.000 0.284 333 I C -1.347 174.746 176.117 -0.039 0.000 1.060 333 I CA -0.283 60.991 61.300 -0.044 0.000 1.071 333 I CB 1.493 39.467 38.000 -0.043 0.000 1.216 333 I HN 0.711 nan 8.210 nan 0.000 0.442 334 D N 4.960 125.340 120.400 -0.034 0.000 4.465 334 D HA -0.104 4.536 4.640 0.000 0.000 0.244 334 D C -0.129 176.150 176.300 -0.035 0.000 1.062 334 D CA 1.012 54.993 54.000 -0.032 0.000 1.227 334 D CB -0.006 40.773 40.800 -0.035 0.000 0.829 334 D HN 0.791 nan 8.370 nan 0.000 0.402 335 G N 1.558 110.342 108.800 -0.027 0.000 2.395 335 G HA2 0.466 4.426 3.960 0.000 0.000 0.283 335 G HA3 0.466 4.426 3.960 0.000 0.000 0.283 335 G C 1.296 176.178 174.900 -0.029 0.000 1.178 335 G CA -0.406 44.679 45.100 -0.026 0.000 0.837 335 G HN 0.403 nan 8.290 nan 0.000 0.518 336 V N 2.302 122.193 119.914 -0.037 0.000 3.510 336 V HA 0.066 4.186 4.120 0.000 0.000 0.270 336 V C 2.016 178.096 176.094 -0.023 0.000 1.201 336 V CA 0.660 62.938 62.300 -0.036 0.000 1.166 336 V CB -0.934 30.857 31.823 -0.053 0.000 0.825 336 V HN 0.782 nan 8.190 nan 0.000 0.484 337 G N 0.983 109.774 108.800 -0.015 0.000 2.353 337 G HA2 0.086 4.046 3.960 0.000 0.000 0.239 337 G HA3 0.086 4.046 3.960 0.000 0.000 0.239 337 G C 0.027 174.922 174.900 -0.009 0.000 1.295 337 G CA -0.275 44.820 45.100 -0.008 0.000 0.884 337 G HN 0.295 nan 8.290 nan 0.000 0.537 338 E N 1.988 122.184 120.200 -0.007 0.000 2.465 338 E HA -0.027 4.323 4.350 0.000 0.000 0.260 338 E C 1.294 177.891 176.600 -0.006 0.000 0.980 338 E CA -0.167 56.229 56.400 -0.007 0.000 0.927 338 E CB 0.826 30.523 29.700 -0.005 0.000 0.934 338 E HN 0.550 nan 8.360 nan 0.000 0.459 339 E N 2.602 122.798 120.200 -0.007 0.000 2.097 339 E HA -0.254 4.096 4.350 0.000 0.000 0.196 339 E C 1.739 178.336 176.600 -0.005 0.000 1.000 339 E CA 1.460 57.856 56.400 -0.006 0.000 0.804 339 E CB -0.271 29.425 29.700 -0.007 0.000 0.740 339 E HN 0.607 nan 8.360 nan 0.000 0.454 340 A N 1.900 124.717 122.820 -0.005 0.000 1.870 340 A HA -0.266 4.054 4.320 0.000 0.000 0.219 340 A C 2.488 180.069 177.584 -0.003 0.000 1.224 340 A CA 3.105 55.140 52.037 -0.004 0.000 0.650 340 A CB -1.109 17.889 19.000 -0.003 0.000 0.836 340 A HN 0.328 nan 8.150 nan 0.000 0.454 341 A N -0.207 122.611 122.820 -0.003 0.000 1.842 341 A HA -0.152 4.168 4.320 0.000 0.000 0.217 341 A C 2.140 179.722 177.584 -0.002 0.000 1.206 341 A CA 1.800 53.836 52.037 -0.002 0.000 0.630 341 A CB -0.960 18.039 19.000 -0.001 0.000 0.839 341 A HN 0.566 nan 8.150 nan 0.000 0.447 342 I N -0.369 120.200 120.570 -0.002 0.000 2.074 342 I HA -0.407 3.763 4.170 0.000 0.000 0.238 342 I C 2.811 178.927 176.117 -0.003 0.000 1.037 342 I CA 1.969 63.268 61.300 -0.002 0.000 1.301 342 I CB -0.675 37.323 38.000 -0.003 0.000 1.016 342 I HN 0.400 nan 8.210 nan 0.000 0.400 343 Q N 0.731 120.529 119.800 -0.004 0.000 2.096 343 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 343 Q C 2.330 178.328 176.000 -0.004 0.000 0.982 343 Q CA 1.885 57.685 55.803 -0.004 0.000 0.850 343 Q CB -1.091 27.645 28.738 -0.004 0.000 0.901 343 Q HN 0.687 nan 8.270 nan 0.000 0.422 344 G N 1.149 109.947 108.800 -0.004 0.000 2.480 344 G HA2 -0.350 3.610 3.960 0.000 0.000 0.216 344 G HA3 -0.350 3.610 3.960 0.000 0.000 0.216 344 G C 1.615 176.512 174.900 -0.005 0.000 1.200 344 G CA 1.102 46.200 45.100 -0.004 0.000 0.782 344 G HN 0.299 nan 8.290 nan 0.000 0.554 345 R N 0.248 120.745 120.500 -0.005 0.000 2.134 345 R HA -0.146 4.194 4.340 0.000 0.000 0.248 345 R C 2.664 178.960 176.300 -0.007 0.000 1.143 345 R CA 1.925 58.021 56.100 -0.006 0.000 0.957 345 R CB -1.057 29.240 30.300 -0.004 0.000 0.867 345 R HN 0.253 nan 8.270 nan 0.000 0.441 346 V N 0.590 120.500 119.914 -0.006 0.000 2.278 346 V HA -0.329 3.791 4.120 0.000 0.000 0.251 346 V C 2.415 178.505 176.094 -0.008 0.000 1.062 346 V CA 2.177 64.473 62.300 -0.007 0.000 1.038 346 V CB -1.247 30.573 31.823 -0.006 0.000 0.646 346 V HN 0.598 nan 8.190 nan 0.000 0.447 347 A N -0.719 122.097 122.820 -0.007 0.000 1.892 347 A HA -0.326 3.994 4.320 0.000 0.000 0.218 347 A C 2.177 179.756 177.584 -0.009 0.000 1.188 347 A CA 2.296 54.329 52.037 -0.007 0.000 0.631 347 A CB -0.538 18.458 19.000 -0.006 0.000 0.822 347 A HN 0.678 nan 8.150 nan 0.000 0.447 348 Q N -0.374 119.421 119.800 -0.009 0.000 1.948 348 Q HA -0.185 4.155 4.340 0.000 0.000 0.205 348 Q C 2.158 178.150 176.000 -0.013 0.000 0.992 348 Q CA 1.824 57.621 55.803 -0.011 0.000 0.849 348 Q CB -0.484 28.248 28.738 -0.011 0.000 0.918 348 Q HN 0.729 nan 8.270 nan 0.000 0.421 349 I N 0.561 121.121 120.570 -0.015 0.000 2.068 349 I HA -0.371 3.800 4.170 0.000 0.000 0.238 349 I C 2.509 178.616 176.117 -0.018 0.000 1.046 349 I CA 1.213 62.501 61.300 -0.020 0.000 1.306 349 I CB -0.566 37.422 38.000 -0.020 0.000 1.023 349 I HN 0.229 nan 8.210 nan 0.000 0.399 350 R N 0.583 121.075 120.500 -0.015 0.000 2.189 350 R HA -0.310 4.030 4.340 0.000 0.000 0.252 350 R C 2.121 178.413 176.300 -0.012 0.000 1.134 350 R CA 2.137 58.230 56.100 -0.013 0.000 0.954 350 R CB -1.219 29.075 30.300 -0.010 0.000 0.890 350 R HN 0.598 nan 8.270 nan 0.000 0.443 351 Q N 0.785 120.578 119.800 -0.011 0.000 1.975 351 Q HA -0.233 4.107 4.340 0.000 0.000 0.205 351 Q C 2.094 178.086 176.000 -0.012 0.000 0.990 351 Q CA 2.038 57.835 55.803 -0.010 0.000 0.845 351 Q CB -0.101 28.631 28.738 -0.009 0.000 0.913 351 Q HN 0.457 nan 8.270 nan 0.000 0.420 352 Q N 0.020 119.811 119.800 -0.015 0.000 2.250 352 Q HA -0.241 4.100 4.340 0.000 0.000 0.215 352 Q C 2.034 178.022 176.000 -0.020 0.000 1.002 352 Q CA 2.005 57.797 55.803 -0.018 0.000 0.910 352 Q CB -0.484 28.240 28.738 -0.024 0.000 0.939 352 Q HN 0.554 nan 8.270 nan 0.000 0.416 353 I N 1.237 121.795 120.570 -0.020 0.000 2.700 353 I HA -0.260 3.910 4.170 0.000 0.000 0.261 353 I C 2.450 178.559 176.117 -0.013 0.000 1.219 353 I CA 1.092 62.380 61.300 -0.019 0.000 1.463 353 I CB -0.745 37.244 38.000 -0.019 0.000 1.092 353 I HN 0.363 nan 8.210 nan 0.000 0.452 354 E N 1.678 121.871 120.200 -0.011 0.000 2.065 354 E HA -0.320 4.030 4.350 0.000 0.000 0.201 354 E C 1.678 178.274 176.600 -0.006 0.000 1.016 354 E CA 1.774 58.170 56.400 -0.007 0.000 0.818 354 E CB -0.431 29.265 29.700 -0.007 0.000 0.749 354 E HN 0.431 nan 8.360 nan 0.000 0.453 355 E N 1.319 121.515 120.200 -0.007 0.000 2.086 355 E HA -0.163 4.187 4.350 0.000 0.000 0.205 355 E C 1.302 177.901 176.600 -0.002 0.000 1.027 355 E CA 1.792 58.189 56.400 -0.005 0.000 0.830 355 E CB -0.625 29.070 29.700 -0.007 0.000 0.751 355 E HN 0.549 nan 8.360 nan 0.000 0.456 356 A N -0.155 122.663 122.820 -0.004 0.000 2.665 356 A HA -0.284 4.036 4.320 0.000 0.000 0.301 356 A C 1.150 178.739 177.584 0.008 0.000 1.509 356 A CA 1.302 53.340 52.037 0.001 0.000 0.789 356 A CB -2.294 16.707 19.000 0.001 0.000 1.024 356 A HN 0.248 nan 8.150 nan 0.000 0.460 357 T N -0.440 114.119 114.554 0.009 0.000 3.284 357 T HA 0.377 4.727 4.350 0.000 0.000 0.252 357 T C 0.466 175.183 174.700 0.028 0.000 1.144 357 T CA 1.197 63.307 62.100 0.015 0.000 1.021 357 T CB -0.320 68.555 68.868 0.012 0.000 0.984 357 T HN 1.403 nan 8.240 nan 0.000 0.545 358 S N -0.107 115.614 115.700 0.035 0.000 2.580 358 S HA 0.192 4.662 4.470 0.000 0.000 0.281 358 S C -1.076 173.564 174.600 0.066 0.000 1.129 358 S CA -0.737 57.499 58.200 0.061 0.000 0.862 358 S CB 1.001 64.259 63.200 0.096 0.000 1.090 358 S HN 0.048 nan 8.310 nan 0.000 0.451 359 D N 1.443 121.891 120.400 0.080 0.000 2.363 359 D HA 0.102 4.742 4.640 0.000 0.000 0.220 359 D C 0.896 177.272 176.300 0.127 0.000 0.994 359 D CA 0.695 54.741 54.000 0.078 0.000 0.890 359 D CB 0.032 40.871 40.800 0.065 0.000 0.906 359 D HN 0.522 nan 8.370 nan 0.000 0.530 360 Y N 0.938 121.238 120.300 -0.000 0.000 2.353 360 Y HA 0.049 4.599 4.550 0.000 0.000 0.294 360 Y C 1.107 177.003 175.900 -0.008 0.000 1.135 360 Y CA 0.918 59.018 58.100 -0.001 0.000 1.176 360 Y CB 0.075 38.536 38.460 0.001 0.000 1.124 360 Y HN -0.206 nan 8.280 nan 0.000 0.537 361 D N -0.151 120.243 120.400 -0.011 0.000 2.144 361 D HA -0.088 4.552 4.640 0.000 0.000 0.200 361 D C 2.119 178.363 176.300 -0.093 0.000 0.978 361 D CA 1.185 55.122 54.000 -0.106 0.000 0.833 361 D CB -0.176 40.616 40.800 -0.014 0.000 0.961 361 D HN 0.223 nan 8.370 nan 0.000 0.470 362 R N 0.618 121.094 120.500 -0.039 0.000 2.073 362 R HA -0.088 4.253 4.340 0.000 0.000 0.229 362 R C 2.077 178.349 176.300 -0.046 0.000 1.120 362 R CA 1.065 57.146 56.100 -0.032 0.000 0.967 362 R CB 0.026 30.323 30.300 -0.006 0.000 0.862 362 R HN 0.193 nan 8.270 nan 0.000 0.436 363 E N 0.436 120.610 120.200 -0.044 0.000 2.077 363 E HA -0.250 4.100 4.350 0.000 0.000 0.193 363 E C 1.589 178.132 176.600 -0.095 0.000 0.989 363 E CA 1.336 57.709 56.400 -0.044 0.000 0.800 363 E CB 0.158 29.854 29.700 -0.007 0.000 0.746 363 E HN 0.022 nan 8.360 nan 0.000 0.452 364 K N 0.695 120.982 120.400 -0.189 0.000 1.965 364 K HA -0.082 4.238 4.320 0.000 0.000 0.214 364 K C 2.192 178.709 176.600 -0.139 0.000 1.046 364 K CA 1.400 57.547 56.287 -0.232 0.000 0.944 364 K CB -0.695 31.565 32.500 -0.400 0.000 0.726 364 K HN 0.128 nan 8.250 nan 0.000 0.441 365 L N 0.758 121.908 121.223 -0.123 0.000 2.064 365 L HA -0.350 3.990 4.340 0.000 0.000 0.216 365 L C 2.604 179.439 176.870 -0.058 0.000 1.077 365 L CA 1.597 56.389 54.840 -0.080 0.000 0.766 365 L CB -0.599 41.422 42.059 -0.063 0.000 0.890 365 L HN 0.341 nan 8.230 nan 0.000 0.435 366 Q N 0.597 120.365 119.800 -0.054 0.000 1.956 366 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 366 Q C 1.940 177.922 176.000 -0.029 0.000 0.998 366 Q CA 2.197 57.979 55.803 -0.034 0.000 0.855 366 Q CB -0.257 28.464 28.738 -0.029 0.000 0.928 366 Q HN 0.456 nan 8.270 nan 0.000 0.418 367 E N -0.204 119.975 120.200 -0.035 0.000 2.068 367 E HA -0.316 4.035 4.350 0.000 0.000 0.207 367 E C 2.153 178.743 176.600 -0.016 0.000 1.032 367 E CA 1.697 58.084 56.400 -0.022 0.000 0.839 367 E CB -0.298 29.384 29.700 -0.030 0.000 0.758 367 E HN 0.292 nan 8.360 nan 0.000 0.457 368 R N 0.393 120.876 120.500 -0.029 0.000 2.115 368 R HA -0.216 4.124 4.340 0.000 0.000 0.239 368 R C 2.538 178.833 176.300 -0.009 0.000 1.133 368 R CA 1.946 58.035 56.100 -0.019 0.000 0.935 368 R CB -0.958 29.321 30.300 -0.035 0.000 0.853 368 R HN 0.082 nan 8.270 nan 0.000 0.433 369 V N 1.255 121.160 119.914 -0.015 0.000 2.250 369 V HA -0.370 3.750 4.120 0.000 0.000 0.253 369 V C 2.517 178.609 176.094 -0.003 0.000 1.065 369 V CA 2.133 64.427 62.300 -0.010 0.000 1.039 369 V CB -1.160 30.655 31.823 -0.013 0.000 0.647 369 V HN 0.546 nan 8.190 nan 0.000 0.446 370 A N 0.062 122.881 122.820 -0.002 0.000 1.852 370 A HA -0.315 4.005 4.320 0.000 0.000 0.217 370 A C 2.243 179.832 177.584 0.008 0.000 1.215 370 A CA 2.564 54.602 52.037 0.003 0.000 0.641 370 A CB -0.748 18.255 19.000 0.004 0.000 0.838 370 A HN 0.469 nan 8.150 nan 0.000 0.450 371 K N -0.911 119.499 120.400 0.017 0.000 2.013 371 K HA -0.244 4.076 4.320 0.000 0.000 0.225 371 K C 1.927 178.540 176.600 0.021 0.000 1.056 371 K CA 1.797 58.102 56.287 0.029 0.000 0.971 371 K CB -1.353 31.178 32.500 0.052 0.000 0.731 371 K HN 0.420 nan 8.250 nan 0.000 0.450 372 L N 0.598 121.833 121.223 0.020 0.000 1.956 372 L HA -0.208 4.132 4.340 0.000 0.000 0.216 372 L C 2.284 179.158 176.870 0.006 0.000 1.073 372 L CA 2.562 57.410 54.840 0.014 0.000 0.762 372 L CB -0.920 41.144 42.059 0.009 0.000 0.889 372 L HN 0.310 nan 8.230 nan 0.000 0.433 373 A N -1.431 121.390 122.820 0.002 0.000 2.021 373 A HA 0.158 4.478 4.320 0.000 0.000 0.216 373 A C 2.259 179.842 177.584 -0.001 0.000 1.163 373 A CA 0.826 52.862 52.037 -0.001 0.000 0.676 373 A CB -1.222 17.776 19.000 -0.002 0.000 0.818 373 A HN 0.526 nan 8.150 nan 0.000 0.453 374 G N -0.113 108.687 108.800 0.000 0.000 2.469 374 G HA2 0.273 4.234 3.960 0.000 0.000 0.220 374 G HA3 0.273 4.234 3.960 0.000 0.000 0.220 374 G C 1.176 176.074 174.900 -0.004 0.000 1.136 374 G CA 0.839 45.938 45.100 -0.001 0.000 0.759 374 G HN 1.746 nan 8.290 nan 0.000 0.562 375 G N -2.106 106.691 108.800 -0.004 0.000 2.846 375 G HA2 0.057 4.017 3.960 0.000 0.000 0.660 375 G HA3 0.057 4.017 3.960 0.000 0.000 0.660 375 G C -0.698 174.194 174.900 -0.013 0.000 1.464 375 G CA -0.368 44.727 45.100 -0.009 0.000 0.891 375 G HN 1.010 nan 8.290 nan 0.000 0.552 376 V N 1.163 121.066 119.914 -0.018 0.000 2.444 376 V HA 0.723 4.843 4.120 0.000 0.000 0.294 376 V C 0.870 176.949 176.094 -0.025 0.000 1.022 376 V CA -0.086 62.199 62.300 -0.025 0.000 0.850 376 V CB 1.241 33.044 31.823 -0.033 0.000 0.992 376 V HN 2.016 nan 8.190 nan 0.000 0.426 377 A N 4.947 127.752 122.820 -0.025 0.000 2.401 377 A HA 0.755 5.075 4.320 0.000 0.000 0.259 377 A C -0.065 177.503 177.584 -0.028 0.000 1.103 377 A CA -0.196 51.827 52.037 -0.024 0.000 0.789 377 A CB 0.836 19.823 19.000 -0.022 0.000 1.035 377 A HN 1.449 nan 8.150 nan 0.000 0.491 378 V N 0.666 120.565 119.914 -0.025 0.000 2.960 378 V HA 0.873 4.993 4.120 0.000 0.000 0.315 378 V C -0.473 175.607 176.094 -0.024 0.000 1.087 378 V CA -0.899 61.385 62.300 -0.027 0.000 0.982 378 V CB 1.592 33.399 31.823 -0.026 0.000 1.039 378 V HN 0.729 nan 8.190 nan 0.000 0.437 379 I N 1.509 122.064 120.570 -0.024 0.000 2.730 379 I HA 0.576 4.746 4.170 0.000 0.000 0.298 379 I C -0.614 175.492 176.117 -0.019 0.000 1.089 379 I CA -0.810 60.477 61.300 -0.021 0.000 1.041 379 I CB 2.707 40.694 38.000 -0.022 0.000 1.235 379 I HN 0.647 nan 8.210 nan 0.000 0.423 380 K N 4.603 124.994 120.400 -0.016 0.000 2.572 380 K HA 0.391 4.711 4.320 0.000 0.000 0.244 380 K C -1.113 175.479 176.600 -0.012 0.000 0.965 380 K CA -0.622 55.656 56.287 -0.014 0.000 0.943 380 K CB 2.146 34.637 32.500 -0.014 0.000 1.154 380 K HN 0.272 nan 8.250 nan 0.000 0.447 381 V N 2.766 122.673 119.914 -0.011 0.000 2.434 381 V HA 0.003 4.123 4.120 0.000 0.000 0.281 381 V C 1.024 177.113 176.094 -0.008 0.000 1.005 381 V CA 0.060 62.354 62.300 -0.009 0.000 1.089 381 V CB 0.145 31.963 31.823 -0.008 0.000 0.978 381 V HN 0.826 nan 8.190 nan 0.000 0.474 382 G N 3.793 112.588 108.800 -0.007 0.000 2.444 382 G HA2 0.686 4.646 3.960 0.000 0.000 0.268 382 G HA3 0.686 4.646 3.960 0.000 0.000 0.268 382 G C -0.287 174.609 174.900 -0.005 0.000 1.203 382 G CA 0.284 45.380 45.100 -0.007 0.000 0.835 382 G HN 1.300 nan 8.290 nan 0.000 0.543 383 A N -0.039 122.778 122.820 -0.005 0.000 2.599 383 A HA 0.760 5.080 4.320 0.000 0.000 0.294 383 A C 0.604 178.186 177.584 -0.004 0.000 1.055 383 A CA 0.352 52.386 52.037 -0.004 0.000 0.683 383 A CB 0.582 19.580 19.000 -0.004 0.000 1.278 383 A HN 1.774 nan 8.150 nan 0.000 0.412 384 A N 0.389 123.207 122.820 -0.003 0.000 1.825 384 A HA 0.342 4.663 4.320 0.000 0.000 0.214 384 A C 1.526 179.108 177.584 -0.003 0.000 1.206 384 A CA 2.328 54.363 52.037 -0.003 0.000 0.609 384 A CB -0.906 18.092 19.000 -0.003 0.000 0.851 384 A HN 1.811 nan 8.150 nan 0.000 0.445 385 T N -1.429 113.123 114.554 -0.003 0.000 2.922 385 T HA 0.265 4.615 4.350 0.000 0.000 0.285 385 T C 0.867 175.565 174.700 -0.003 0.000 1.005 385 T CA 0.199 62.297 62.100 -0.003 0.000 1.061 385 T CB 1.262 70.129 68.868 -0.002 0.000 1.007 385 T HN 0.469 nan 8.240 nan 0.000 0.502 386 E N 2.263 122.461 120.200 -0.003 0.000 2.204 386 E HA -0.086 4.265 4.350 0.000 0.000 0.195 386 E C 1.692 178.290 176.600 -0.003 0.000 0.990 386 E CA 0.905 57.303 56.400 -0.003 0.000 0.821 386 E CB 0.048 29.746 29.700 -0.004 0.000 0.750 386 E HN 0.587 nan 8.360 nan 0.000 0.477 387 V N 1.327 121.240 119.914 -0.003 0.000 2.221 387 V HA -0.275 3.845 4.120 0.000 0.000 0.240 387 V C 2.460 178.553 176.094 -0.002 0.000 1.041 387 V CA 2.244 64.543 62.300 -0.002 0.000 0.991 387 V CB -0.880 30.942 31.823 -0.002 0.000 0.634 387 V HN 0.411 nan 8.190 nan 0.000 0.450 388 E N -0.272 119.927 120.200 -0.002 0.000 2.136 388 E HA -0.337 4.013 4.350 0.000 0.000 0.202 388 E C 2.190 178.789 176.600 -0.002 0.000 1.019 388 E CA 2.170 58.569 56.400 -0.002 0.000 0.819 388 E CB -0.228 29.471 29.700 -0.002 0.000 0.739 388 E HN 0.415 nan 8.360 nan 0.000 0.458 389 M N 1.309 120.908 119.600 -0.003 0.000 2.605 389 M HA -0.252 4.228 4.480 0.000 0.000 0.269 389 M C 1.978 178.276 176.300 -0.003 0.000 1.064 389 M CA 2.157 57.455 55.300 -0.003 0.000 1.078 389 M CB -0.725 31.872 32.600 -0.004 0.000 1.234 389 M HN 0.031 nan 8.290 nan 0.000 0.483 390 K N -0.347 120.051 120.400 -0.003 0.000 2.211 390 K HA -0.197 4.123 4.320 0.000 0.000 0.204 390 K C 1.980 178.580 176.600 0.000 0.000 1.047 390 K CA 1.348 57.634 56.287 -0.002 0.000 0.935 390 K CB -0.292 32.207 32.500 -0.002 0.000 0.728 390 K HN 0.432 nan 8.250 nan 0.000 0.452 391 E N 2.010 122.210 120.200 -0.000 0.000 2.015 391 E HA -0.216 4.134 4.350 0.000 0.000 0.191 391 E C 1.922 178.523 176.600 0.002 0.000 0.991 391 E CA 1.470 57.871 56.400 0.001 0.000 0.802 391 E CB -0.007 29.694 29.700 0.000 0.000 0.759 391 E HN 0.169 nan 8.360 nan 0.000 0.447 392 K N 0.975 121.375 120.400 0.000 0.000 2.044 392 K HA -0.229 4.091 4.320 0.000 0.000 0.210 392 K C 2.371 178.971 176.600 -0.000 0.000 1.049 392 K CA 2.044 58.331 56.287 -0.000 0.000 0.927 392 K CB -0.230 32.269 32.500 -0.002 0.000 0.713 392 K HN -0.022 nan 8.250 nan 0.000 0.443 393 K N 0.125 120.524 120.400 -0.001 0.000 2.089 393 K HA -0.235 4.085 4.320 0.000 0.000 0.210 393 K C 1.896 178.497 176.600 0.001 0.000 1.048 393 K CA 1.534 57.820 56.287 -0.003 0.000 0.926 393 K CB -0.258 32.240 32.500 -0.003 0.000 0.714 393 K HN 0.285 nan 8.250 nan 0.000 0.448 394 A N 1.459 124.283 122.820 0.006 0.000 1.835 394 A HA -0.188 4.132 4.320 0.000 0.000 0.215 394 A C 2.091 179.686 177.584 0.018 0.000 1.199 394 A CA 1.844 53.889 52.037 0.014 0.000 0.615 394 A CB -0.685 18.323 19.000 0.013 0.000 0.838 394 A HN 0.402 nan 8.150 nan 0.000 0.444 395 R N -0.674 119.834 120.500 0.014 0.000 2.154 395 R HA -0.153 4.187 4.340 0.000 0.000 0.248 395 R C 1.954 178.263 176.300 0.016 0.000 1.155 395 R CA 1.509 57.618 56.100 0.015 0.000 0.979 395 R CB -0.728 29.577 30.300 0.008 0.000 0.869 395 R HN 0.432 nan 8.270 nan 0.000 0.452 396 V N 1.038 120.956 119.914 0.007 0.000 2.237 396 V HA -0.259 3.861 4.120 0.000 0.000 0.245 396 V C 1.983 178.073 176.094 -0.006 0.000 1.046 396 V CA 2.056 64.355 62.300 -0.001 0.000 1.007 396 V CB -0.488 31.329 31.823 -0.009 0.000 0.638 396 V HN 0.372 nan 8.190 nan 0.000 0.445 397 E N 0.058 120.253 120.200 -0.008 0.000 2.118 397 E HA -0.240 4.110 4.350 0.000 0.000 0.195 397 E C 1.825 178.435 176.600 0.017 0.000 0.992 397 E CA 1.509 57.890 56.400 -0.032 0.000 0.804 397 E CB -0.265 29.428 29.700 -0.012 0.000 0.741 397 E HN 0.634 nan 8.360 nan 0.000 0.458 398 D N 0.842 121.292 120.400 0.084 0.000 2.173 398 D HA -0.218 4.422 4.640 0.000 0.000 0.205 398 D C 1.979 178.352 176.300 0.122 0.000 1.002 398 D CA 1.644 55.731 54.000 0.145 0.000 0.881 398 D CB -0.847 39.999 40.800 0.076 0.000 1.062 398 D HN 0.166 nan 8.370 nan 0.000 0.459 399 A N 1.011 123.867 122.820 0.061 0.000 1.923 399 A HA -0.289 4.031 4.320 0.000 0.000 0.222 399 A C 2.340 179.947 177.584 0.039 0.000 1.258 399 A CA 2.408 54.471 52.037 0.042 0.000 0.670 399 A CB -1.354 17.658 19.000 0.019 0.000 0.834 399 A HN 0.393 nan 8.150 nan 0.000 0.470 400 L N -1.559 119.666 121.223 0.003 0.000 1.991 400 L HA -0.343 3.997 4.340 0.000 0.000 0.221 400 L C 2.610 179.471 176.870 -0.014 0.000 1.079 400 L CA 2.547 57.364 54.840 -0.038 0.000 0.778 400 L CB -0.591 41.407 42.059 -0.102 0.000 0.893 400 L HN 0.603 nan 8.230 nan 0.000 0.437 401 H N -0.176 118.895 119.070 0.001 0.000 2.371 401 H HA -0.287 4.269 4.556 0.000 0.000 0.292 401 H C 2.179 177.510 175.328 0.004 0.000 1.066 401 H CA 1.970 58.020 56.048 0.004 0.000 1.153 401 H CB -0.873 28.892 29.762 0.006 0.000 1.375 401 H HN 0.604 nan 8.280 nan 0.000 0.558 402 A N 0.365 123.286 122.820 0.168 0.000 1.944 402 A HA -0.318 4.002 4.320 0.000 0.000 0.222 402 A C 2.713 180.331 177.584 0.056 0.000 1.237 402 A CA 3.331 55.417 52.037 0.081 0.000 0.668 402 A CB -1.386 17.647 19.000 0.055 0.000 0.830 402 A HN 0.609 nan 8.150 nan 0.000 0.471 403 T N -0.572 114.010 114.554 0.046 0.000 2.622 403 T HA -0.207 4.143 4.350 0.000 0.000 0.266 403 T C 2.001 176.717 174.700 0.026 0.000 1.047 403 T CA 1.622 63.737 62.100 0.026 0.000 1.159 403 T CB -0.325 68.551 68.868 0.014 0.000 0.863 403 T HN 0.568 nan 8.240 nan 0.000 0.422 404 R N 0.936 121.453 120.500 0.028 0.000 2.112 404 R HA -0.159 4.181 4.340 0.000 0.000 0.242 404 R C 2.812 179.132 176.300 0.033 0.000 1.137 404 R CA 1.616 57.732 56.100 0.026 0.000 0.944 404 R CB -0.684 29.633 30.300 0.029 0.000 0.857 404 R HN 0.426 nan 8.270 nan 0.000 0.435 405 A N 1.122 123.970 122.820 0.047 0.000 1.858 405 A HA -0.122 4.198 4.320 0.000 0.000 0.216 405 A C 2.434 180.033 177.584 0.025 0.000 1.190 405 A CA 1.707 53.767 52.037 0.038 0.000 0.617 405 A CB -0.899 18.127 19.000 0.043 0.000 0.827 405 A HN 0.428 nan 8.150 nan 0.000 0.443 406 A N -0.448 122.387 122.820 0.025 0.000 1.915 406 A HA -0.148 4.172 4.320 0.000 0.000 0.220 406 A C 2.255 179.848 177.584 0.014 0.000 1.198 406 A CA 2.375 54.422 52.037 0.017 0.000 0.647 406 A CB -1.288 17.722 19.000 0.017 0.000 0.825 406 A HN 0.469 nan 8.150 nan 0.000 0.456 407 V N -0.072 119.851 119.914 0.015 0.000 2.220 407 V HA -0.338 3.782 4.120 0.000 0.000 0.242 407 V C 2.310 178.411 176.094 0.012 0.000 1.041 407 V CA 2.394 64.701 62.300 0.012 0.000 0.990 407 V CB -1.254 30.576 31.823 0.011 0.000 0.634 407 V HN 0.718 nan 8.190 nan 0.000 0.452 408 E N 0.140 120.349 120.200 0.014 0.000 2.196 408 E HA -0.315 4.035 4.350 0.000 0.000 0.222 408 E C 1.580 178.186 176.600 0.009 0.000 1.072 408 E CA 2.226 58.633 56.400 0.012 0.000 0.902 408 E CB -0.214 29.495 29.700 0.015 0.000 0.780 408 E HN 0.742 nan 8.360 nan 0.000 0.467 409 E N -0.699 119.506 120.200 0.008 0.000 2.810 409 E HA 0.283 4.633 4.350 0.000 0.000 0.214 409 E C 0.364 176.967 176.600 0.006 0.000 0.980 409 E CA 0.130 56.533 56.400 0.005 0.000 1.159 409 E CB 1.455 31.155 29.700 0.001 0.000 1.047 409 E HN 0.291 nan 8.360 nan 0.000 0.484 410 G N 1.314 110.119 108.800 0.008 0.000 2.632 410 G HA2 -0.220 3.741 3.960 0.000 0.000 0.224 410 G HA3 -0.220 3.741 3.960 0.000 0.000 0.224 410 G C -0.227 174.678 174.900 0.009 0.000 1.341 410 G CA -0.356 44.749 45.100 0.008 0.000 0.880 410 G HN 0.601 nan 8.290 nan 0.000 0.566 411 V N -2.932 116.988 119.914 0.009 0.000 3.206 411 V HA 1.023 5.143 4.120 0.000 0.000 0.305 411 V C 0.373 176.472 176.094 0.009 0.000 1.257 411 V CA 0.656 62.961 62.300 0.009 0.000 1.057 411 V CB 1.357 33.186 31.823 0.009 0.000 1.075 411 V HN 2.656 nan 8.190 nan 0.000 0.443 412 V N -1.985 117.934 119.914 0.008 0.000 3.181 412 V HA 1.012 5.132 4.120 0.000 0.000 0.307 412 V C 0.340 176.439 176.094 0.008 0.000 1.310 412 V CA -0.752 61.555 62.300 0.010 0.000 1.067 412 V CB 1.050 32.879 31.823 0.009 0.000 1.081 412 V HN 2.543 nan 8.190 nan 0.000 0.453 413 A N 0.112 122.939 122.820 0.011 0.000 2.548 413 A HA 0.544 4.864 4.320 0.000 0.000 0.247 413 A C 1.185 178.767 177.584 -0.004 0.000 1.067 413 A CA 0.555 52.595 52.037 0.005 0.000 0.757 413 A CB -0.182 18.824 19.000 0.010 0.000 0.996 413 A HN 2.170 nan 8.150 nan 0.000 0.504 414 G N 1.578 110.370 108.800 -0.013 0.000 3.277 414 G HA2 0.334 4.295 3.960 0.000 0.000 0.243 414 G HA3 0.334 4.295 3.960 0.000 0.000 0.243 414 G C 0.775 175.658 174.900 -0.028 0.000 1.107 414 G CA 0.670 45.759 45.100 -0.018 0.000 0.771 414 G HN 1.136 nan 8.290 nan 0.000 0.544 415 G N -0.161 108.617 108.800 -0.037 0.000 3.440 415 G HA2 0.411 4.371 3.960 0.000 0.000 0.263 415 G HA3 0.411 4.371 3.960 0.000 0.000 0.263 415 G C 1.180 176.066 174.900 -0.024 0.000 1.236 415 G CA 0.227 45.298 45.100 -0.047 0.000 0.927 415 G HN 1.170 nan 8.290 nan 0.000 0.530 416 G N -1.062 107.730 108.800 -0.013 0.000 2.176 416 G HA2 -0.348 3.613 3.960 0.000 0.000 0.253 416 G HA3 -0.348 3.613 3.960 0.000 0.000 0.253 416 G C 1.255 176.156 174.900 0.002 0.000 0.979 416 G CA 0.485 45.583 45.100 -0.003 0.000 0.641 416 G HN 0.562 nan 8.290 nan 0.000 0.530 417 V N 1.064 120.976 119.914 -0.003 0.000 2.220 417 V HA -0.021 4.099 4.120 0.000 0.000 0.246 417 V C 3.328 179.427 176.094 0.009 0.000 1.049 417 V CA 3.090 65.390 62.300 -0.000 0.000 1.003 417 V CB -1.641 30.176 31.823 -0.010 0.000 0.634 417 V HN 1.273 nan 8.190 nan 0.000 0.444 418 A N 0.349 123.173 122.820 0.008 0.000 1.944 418 A HA -0.268 4.052 4.320 0.000 0.000 0.222 418 A C 2.224 179.816 177.584 0.013 0.000 1.237 418 A CA 2.561 54.606 52.037 0.012 0.000 0.668 418 A CB -0.798 18.207 19.000 0.008 0.000 0.830 418 A HN 0.435 nan 8.150 nan 0.000 0.471 419 L N -0.778 120.451 121.223 0.010 0.000 1.994 419 L HA -0.161 4.179 4.340 0.000 0.000 0.208 419 L C 2.651 179.529 176.870 0.014 0.000 1.071 419 L CA 1.510 56.357 54.840 0.011 0.000 0.745 419 L CB -1.341 40.724 42.059 0.009 0.000 0.892 419 L HN 0.339 nan 8.230 nan 0.000 0.431 420 I N -0.103 120.476 120.570 0.016 0.000 2.113 420 I HA -0.334 3.836 4.170 0.000 0.000 0.242 420 I C 2.733 178.863 176.117 0.023 0.000 1.064 420 I CA 1.280 62.592 61.300 0.019 0.000 1.320 420 I CB -1.010 37.003 38.000 0.022 0.000 1.028 420 I HN 0.290 nan 8.210 nan 0.000 0.406 421 R N 1.347 121.863 120.500 0.026 0.000 2.171 421 R HA -0.218 4.122 4.340 0.000 0.000 0.226 421 R C 2.382 178.698 176.300 0.026 0.000 1.113 421 R CA 3.058 59.177 56.100 0.032 0.000 0.887 421 R CB -1.114 29.206 30.300 0.034 0.000 0.830 421 R HN 0.325 nan 8.270 nan 0.000 0.432 422 V N -1.210 118.716 119.914 0.021 0.000 2.363 422 V HA -0.285 3.835 4.120 0.000 0.000 0.254 422 V C 2.141 178.243 176.094 0.015 0.000 1.074 422 V CA 2.249 64.558 62.300 0.016 0.000 1.069 422 V CB -1.617 30.213 31.823 0.012 0.000 0.659 422 V HN 0.517 nan 8.190 nan 0.000 0.455 423 A N 1.704 124.533 122.820 0.015 0.000 1.845 423 A HA -0.161 4.159 4.320 0.000 0.000 0.215 423 A C 2.657 180.250 177.584 0.015 0.000 1.195 423 A CA 3.013 55.058 52.037 0.014 0.000 0.616 423 A CB -1.316 17.692 19.000 0.013 0.000 0.832 423 A HN 1.088 nan 8.150 nan 0.000 0.443 424 S N -0.031 115.680 115.700 0.018 0.000 2.402 424 S HA -0.236 4.235 4.470 0.000 0.000 0.233 424 S C 1.862 176.473 174.600 0.018 0.000 1.030 424 S CA 1.471 59.682 58.200 0.019 0.000 1.003 424 S CB -0.369 62.847 63.200 0.026 0.000 0.813 424 S HN 0.440 nan 8.310 nan 0.000 0.477 425 K N 2.373 122.784 120.400 0.018 0.000 1.981 425 K HA -0.042 4.278 4.320 0.000 0.000 0.227 425 K C 1.576 178.183 176.600 0.012 0.000 1.030 425 K CA 1.372 57.668 56.287 0.016 0.000 1.042 425 K CB -1.403 31.106 32.500 0.016 0.000 0.749 425 K HN 0.691 nan 8.250 nan 0.000 0.445 426 L N 0.165 121.394 121.223 0.010 0.000 2.679 426 L HA 0.205 4.545 4.340 0.000 0.000 0.241 426 L C 1.031 177.906 176.870 0.008 0.000 1.441 426 L CA -0.100 54.745 54.840 0.008 0.000 1.181 426 L CB -0.569 41.494 42.059 0.007 0.000 1.451 426 L HN 0.063 nan 8.230 nan 0.000 0.446 427 A N -0.417 122.408 122.820 0.009 0.000 2.275 427 A HA 0.058 4.378 4.320 0.000 0.000 0.212 427 A C 1.617 179.205 177.584 0.007 0.000 1.201 427 A CA 0.232 52.274 52.037 0.008 0.000 0.843 427 A CB -0.030 18.975 19.000 0.009 0.000 0.873 427 A HN 0.621 nan 8.150 nan 0.000 0.492 428 D N -0.803 119.601 120.400 0.006 0.000 2.369 428 D HA 0.039 4.679 4.640 0.000 0.000 0.231 428 D C 0.592 176.894 176.300 0.004 0.000 0.967 428 D CA -0.042 53.961 54.000 0.005 0.000 0.905 428 D CB -0.297 40.505 40.800 0.005 0.000 1.044 428 D HN 0.275 nan 8.370 nan 0.000 0.487 429 L N 2.881 124.107 121.223 0.005 0.000 4.017 429 L HA -0.228 4.112 4.340 0.000 0.000 0.482 429 L C 0.037 176.909 176.870 0.004 0.000 1.045 429 L CA 0.808 55.651 54.840 0.004 0.000 0.650 429 L CB -0.068 41.994 42.059 0.004 0.000 0.973 429 L HN -0.052 nan 8.230 nan 0.000 0.913 430 R N 3.735 124.237 120.500 0.003 0.000 2.902 430 R HA 0.869 5.209 4.340 0.000 0.000 0.258 430 R C 0.053 176.355 176.300 0.003 0.000 1.071 430 R CA -0.311 55.791 56.100 0.003 0.000 1.024 430 R CB 1.441 31.743 30.300 0.003 0.000 1.184 430 R HN 0.788 nan 8.270 nan 0.000 0.492 431 G N -0.085 108.717 108.800 0.003 0.000 2.605 431 G HA2 0.378 4.338 3.960 0.000 0.000 0.296 431 G HA3 0.378 4.338 3.960 0.000 0.000 0.296 431 G C -0.209 174.693 174.900 0.002 0.000 1.304 431 G CA -0.390 44.711 45.100 0.003 0.000 0.941 431 G HN 0.262 nan 8.290 nan 0.000 0.475 432 Q N 0.309 120.111 119.800 0.002 0.000 1.809 432 Q HA -0.066 4.275 4.340 0.000 0.000 0.269 432 Q C 1.427 177.428 176.000 0.002 0.000 0.984 432 Q CA 0.968 56.773 55.803 0.002 0.000 0.885 432 Q CB -0.536 28.203 28.738 0.002 0.000 0.933 432 Q HN 0.696 nan 8.270 nan 0.000 0.422 433 N N 0.971 119.672 118.700 0.002 0.000 2.412 433 N HA -0.123 4.617 4.740 0.000 0.000 0.254 433 N C 0.734 176.246 175.510 0.002 0.000 1.232 433 N CA -0.002 53.049 53.050 0.002 0.000 0.880 433 N CB 0.453 38.941 38.487 0.003 0.000 1.076 433 N HN 0.346 nan 8.380 nan 0.000 0.458 434 E N 2.415 122.616 120.200 0.002 0.000 2.160 434 E HA -0.255 4.095 4.350 0.000 0.000 0.195 434 E C 0.293 176.894 176.600 0.002 0.000 0.991 434 E CA 1.247 57.648 56.400 0.002 0.000 0.810 434 E CB 0.120 29.821 29.700 0.002 0.000 0.742 434 E HN 0.632 nan 8.360 nan 0.000 0.466 435 D N 0.238 120.640 120.400 0.003 0.000 2.384 435 D HA -0.134 4.506 4.640 0.000 0.000 0.222 435 D C 1.493 177.795 176.300 0.003 0.000 0.976 435 D CA 0.801 54.803 54.000 0.003 0.000 0.915 435 D CB 0.097 40.899 40.800 0.003 0.000 0.896 435 D HN 0.477 nan 8.370 nan 0.000 0.523 436 Q N -0.378 119.424 119.800 0.003 0.000 2.324 436 Q HA 0.041 4.381 4.340 0.000 0.000 0.207 436 Q C 1.726 177.728 176.000 0.003 0.000 0.928 436 Q CA 0.048 55.853 55.803 0.003 0.000 0.890 436 Q CB 0.211 28.951 28.738 0.003 0.000 1.001 436 Q HN 0.166 nan 8.270 nan 0.000 0.517 437 N N 0.986 119.688 118.700 0.003 0.000 2.025 437 N HA -0.148 4.592 4.740 0.000 0.000 0.194 437 N C 2.060 177.572 175.510 0.004 0.000 1.044 437 N CA 1.524 54.576 53.050 0.003 0.000 0.851 437 N CB -0.519 37.970 38.487 0.003 0.000 1.036 437 N HN 0.031 nan 8.380 nan 0.000 0.422 438 V N 1.392 121.308 119.914 0.003 0.000 2.282 438 V HA -0.235 3.885 4.120 0.000 0.000 0.249 438 V C 2.594 178.690 176.094 0.004 0.000 1.057 438 V CA 2.155 64.457 62.300 0.004 0.000 1.032 438 V CB -1.564 30.261 31.823 0.003 0.000 0.645 438 V HN 0.378 nan 8.190 nan 0.000 0.447 439 G N 0.321 109.124 108.800 0.004 0.000 2.529 439 G HA2 -0.289 3.671 3.960 0.000 0.000 0.219 439 G HA3 -0.289 3.671 3.960 0.000 0.000 0.219 439 G C 1.528 176.431 174.900 0.005 0.000 1.177 439 G CA 1.534 46.637 45.100 0.005 0.000 0.773 439 G HN 0.539 nan 8.290 nan 0.000 0.573 440 I N 0.229 120.802 120.570 0.005 0.000 2.179 440 I HA -0.139 4.031 4.170 0.000 0.000 0.242 440 I C 2.787 178.907 176.117 0.005 0.000 1.088 440 I CA 1.341 62.644 61.300 0.005 0.000 1.357 440 I CB -0.265 37.738 38.000 0.004 0.000 1.051 440 I HN 0.029 nan 8.210 nan 0.000 0.409 441 K N 1.042 121.445 120.400 0.005 0.000 1.977 441 K HA -0.164 4.156 4.320 0.000 0.000 0.218 441 K C 1.978 178.582 176.600 0.006 0.000 1.051 441 K CA 1.606 57.897 56.287 0.005 0.000 0.953 441 K CB -0.999 31.504 32.500 0.005 0.000 0.727 441 K HN 0.037 nan 8.250 nan 0.000 0.445 442 V N 1.142 121.060 119.914 0.006 0.000 2.233 442 V HA -0.414 3.706 4.120 0.000 0.000 0.256 442 V C 2.215 178.314 176.094 0.007 0.000 1.069 442 V CA 2.419 64.722 62.300 0.006 0.000 1.054 442 V CB -1.156 30.671 31.823 0.006 0.000 0.664 442 V HN 0.539 nan 8.190 nan 0.000 0.453 443 A N -0.488 122.337 122.820 0.007 0.000 1.859 443 A HA -0.263 4.057 4.320 0.000 0.000 0.218 443 A C 2.190 179.779 177.584 0.008 0.000 1.209 443 A CA 2.645 54.687 52.037 0.008 0.000 0.639 443 A CB -0.760 18.245 19.000 0.007 0.000 0.835 443 A HN 0.522 nan 8.150 nan 0.000 0.450 444 L N -1.345 119.883 121.223 0.008 0.000 1.970 444 L HA -0.218 4.122 4.340 0.000 0.000 0.212 444 L C 2.833 179.709 176.870 0.009 0.000 1.071 444 L CA 2.012 56.857 54.840 0.008 0.000 0.751 444 L CB -0.573 41.491 42.059 0.008 0.000 0.889 444 L HN 0.515 nan 8.230 nan 0.000 0.432 445 R N 0.365 120.870 120.500 0.008 0.000 2.211 445 R HA -0.205 4.135 4.340 0.000 0.000 0.240 445 R C 2.075 178.381 176.300 0.009 0.000 1.144 445 R CA 1.328 57.432 56.100 0.008 0.000 0.992 445 R CB -0.170 30.134 30.300 0.007 0.000 0.869 445 R HN 0.409 nan 8.270 nan 0.000 0.462 446 A N 0.465 123.291 122.820 0.009 0.000 2.014 446 A HA -0.057 4.263 4.320 0.000 0.000 0.218 446 A C 1.976 179.567 177.584 0.011 0.000 1.163 446 A CA 0.956 52.998 52.037 0.010 0.000 0.652 446 A CB -0.212 18.794 19.000 0.010 0.000 0.808 446 A HN 0.370 nan 8.150 nan 0.000 0.449 447 M N -0.593 119.013 119.600 0.010 0.000 2.557 447 M HA -0.032 4.448 4.480 0.000 0.000 0.259 447 M C 1.339 177.645 176.300 0.011 0.000 1.086 447 M CA 0.850 56.156 55.300 0.011 0.000 1.096 447 M CB -0.247 32.359 32.600 0.010 0.000 1.424 447 M HN 0.401 nan 8.290 nan 0.000 0.488 448 E N 0.890 121.097 120.200 0.011 0.000 2.371 448 E HA 0.005 4.355 4.350 0.000 0.000 0.194 448 E C 2.160 178.767 176.600 0.012 0.000 1.012 448 E CA 0.493 56.901 56.400 0.012 0.000 0.860 448 E CB 0.025 29.732 29.700 0.012 0.000 0.811 448 E HN 0.511 nan 8.360 nan 0.000 0.502 449 A N 2.481 125.307 122.820 0.011 0.000 1.859 449 A HA -0.202 4.118 4.320 0.000 0.000 0.218 449 A C -0.296 177.294 177.584 0.010 0.000 1.209 449 A CA 1.702 53.745 52.037 0.010 0.000 0.639 449 A CB -1.690 17.315 19.000 0.010 0.000 0.835 449 A HN 0.140 nan 8.150 nan 0.000 0.450 450 P HA -0.186 nan 4.420 nan 0.000 0.214 450 P C 1.784 179.090 177.300 0.009 0.000 1.169 450 P CA 1.371 64.475 63.100 0.008 0.000 0.908 450 P CB -0.136 31.568 31.700 0.006 0.000 0.791 451 L N -0.276 120.955 121.223 0.012 0.000 1.970 451 L HA -0.189 4.151 4.340 0.000 0.000 0.212 451 L C 2.375 179.261 176.870 0.026 0.000 1.071 451 L CA 1.965 56.818 54.840 0.021 0.000 0.751 451 L CB -1.069 41.005 42.059 0.025 0.000 0.889 451 L HN -0.221 nan 8.230 nan 0.000 0.432 452 R N -0.984 119.528 120.500 0.020 0.000 2.119 452 R HA -0.268 4.072 4.340 0.000 0.000 0.246 452 R C 2.356 178.666 176.300 0.017 0.000 1.146 452 R CA 1.843 57.953 56.100 0.017 0.000 0.962 452 R CB -0.496 29.811 30.300 0.012 0.000 0.863 452 R HN 0.483 nan 8.270 nan 0.000 0.442 453 Q N 0.746 120.554 119.800 0.013 0.000 2.084 453 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 453 Q C 1.857 177.865 176.000 0.013 0.000 0.978 453 Q CA 1.543 57.353 55.803 0.011 0.000 0.844 453 Q CB -0.062 28.680 28.738 0.007 0.000 0.898 453 Q HN 0.211 nan 8.270 nan 0.000 0.426 454 I N -0.237 120.342 120.570 0.014 0.000 2.076 454 I HA -0.260 3.910 4.170 0.000 0.000 0.237 454 I C 2.282 178.417 176.117 0.029 0.000 1.059 454 I CA 1.063 62.371 61.300 0.012 0.000 1.317 454 I CB -1.630 36.373 38.000 0.004 0.000 1.037 454 I HN 0.096 nan 8.210 nan 0.000 0.398 455 V N 1.155 121.103 119.914 0.057 0.000 2.252 455 V HA -0.328 3.792 4.120 0.000 0.000 0.255 455 V C 2.659 178.779 176.094 0.044 0.000 1.071 455 V CA 2.217 64.565 62.300 0.080 0.000 1.050 455 V CB -0.922 30.934 31.823 0.055 0.000 0.654 455 V HN 0.363 nan 8.190 nan 0.000 0.448 456 L N 0.917 122.156 121.223 0.026 0.000 1.990 456 L HA -0.202 4.138 4.340 0.000 0.000 0.213 456 L C 2.204 179.084 176.870 0.015 0.000 1.072 456 L CA 2.223 57.073 54.840 0.017 0.000 0.755 456 L CB -1.117 40.949 42.059 0.012 0.000 0.889 456 L HN 0.366 nan 8.230 nan 0.000 0.432 457 N N -1.058 117.650 118.700 0.013 0.000 2.348 457 N HA -0.158 4.582 4.740 0.000 0.000 0.185 457 N C 1.583 177.098 175.510 0.008 0.000 1.019 457 N CA 1.543 54.598 53.050 0.007 0.000 0.880 457 N CB -0.669 37.819 38.487 0.002 0.000 0.965 457 N HN 0.452 nan 8.380 nan 0.000 0.437 458 C N -0.641 118.669 119.300 0.016 0.000 2.697 458 C HA 0.347 4.807 4.460 0.000 0.000 0.267 458 C C 1.650 176.655 174.990 0.024 0.000 1.278 458 C CA 0.033 59.062 59.018 0.018 0.000 1.708 458 C CB -0.953 26.805 27.740 0.029 0.000 1.860 458 C HN 0.588 nan 8.230 nan 0.000 0.589 459 G N 1.234 110.047 108.800 0.021 0.000 2.143 459 G HA2 -0.176 3.785 3.960 0.000 0.000 0.248 459 G HA3 -0.176 3.785 3.960 0.000 0.000 0.248 459 G C -0.183 174.730 174.900 0.022 0.000 0.991 459 G CA 0.207 45.318 45.100 0.018 0.000 0.689 459 G HN 0.521 nan 8.290 nan 0.000 0.522 460 E N 0.190 120.408 120.200 0.030 0.000 2.254 460 E HA 0.403 4.753 4.350 0.000 0.000 0.261 460 E C 0.156 176.759 176.600 0.005 0.000 1.051 460 E CA -0.809 55.606 56.400 0.024 0.000 0.902 460 E CB 0.572 30.301 29.700 0.049 0.000 1.168 460 E HN 0.222 nan 8.360 nan 0.000 0.423 461 E N 2.088 122.280 120.200 -0.013 0.000 2.220 461 E HA 0.070 4.420 4.350 0.000 0.000 0.272 461 E C -1.743 174.841 176.600 -0.027 0.000 1.099 461 E CA -1.517 54.873 56.400 -0.018 0.000 0.907 461 E CB 0.702 30.388 29.700 -0.023 0.000 1.022 461 E HN 0.186 nan 8.360 nan 0.000 0.428 462 P HA -0.173 nan 4.420 nan 0.000 0.210 462 P C 1.540 178.831 177.300 -0.014 0.000 1.191 462 P CA 1.592 64.687 63.100 -0.009 0.000 0.917 462 P CB 0.043 31.744 31.700 0.001 0.000 0.778 463 S N -0.497 115.198 115.700 -0.008 0.000 2.393 463 S HA -0.233 4.237 4.470 0.000 0.000 0.234 463 S C 2.005 176.598 174.600 -0.011 0.000 1.064 463 S CA 2.277 60.473 58.200 -0.007 0.000 1.088 463 S CB -2.037 61.160 63.200 -0.005 0.000 0.939 463 S HN -0.064 nan 8.310 nan 0.000 0.448 464 V N 1.671 121.573 119.914 -0.019 0.000 2.229 464 V HA -0.138 3.982 4.120 0.000 0.000 0.243 464 V C 2.706 178.783 176.094 -0.029 0.000 1.042 464 V CA 1.740 64.025 62.300 -0.024 0.000 1.000 464 V CB -0.979 30.827 31.823 -0.029 0.000 0.637 464 V HN 0.481 nan 8.190 nan 0.000 0.446 465 V N 0.363 120.237 119.914 -0.067 0.000 2.231 465 V HA -0.352 3.769 4.120 0.000 0.000 0.248 465 V C 2.757 178.850 176.094 -0.000 0.000 1.054 465 V CA 2.359 64.600 62.300 -0.097 0.000 1.015 465 V CB -1.391 30.255 31.823 -0.295 0.000 0.638 465 V HN 0.587 nan 8.190 nan 0.000 0.444 466 A N 0.650 123.466 122.820 -0.006 0.000 1.870 466 A HA -0.437 3.883 4.320 0.000 0.000 0.219 466 A C 2.033 179.630 177.584 0.023 0.000 1.224 466 A CA 3.058 55.104 52.037 0.015 0.000 0.650 466 A CB -1.247 17.758 19.000 0.009 0.000 0.836 466 A HN 0.730 nan 8.150 nan 0.000 0.454 467 N N -0.364 118.343 118.700 0.012 0.000 2.027 467 N HA -0.242 4.498 4.740 0.000 0.000 0.200 467 N C 1.829 177.350 175.510 0.017 0.000 1.042 467 N CA 4.042 57.099 53.050 0.011 0.000 0.871 467 N CB -0.884 37.602 38.487 -0.001 0.000 1.063 467 N HN 0.593 nan 8.380 nan 0.000 0.438 468 T N -2.186 112.372 114.554 0.007 0.000 2.849 468 T HA -0.102 4.249 4.350 0.000 0.000 0.270 468 T C 1.938 176.667 174.700 0.048 0.000 1.066 468 T CA 1.705 63.796 62.100 -0.015 0.000 1.130 468 T CB -0.869 67.911 68.868 -0.147 0.000 0.864 468 T HN 0.071 nan 8.240 nan 0.000 0.481 469 V N 1.584 121.543 119.914 0.075 0.000 2.453 469 V HA -0.071 4.049 4.120 0.000 0.000 0.247 469 V C 2.877 179.018 176.094 0.078 0.000 1.048 469 V CA 1.371 63.705 62.300 0.056 0.000 1.049 469 V CB -0.502 31.348 31.823 0.045 0.000 0.672 469 V HN 0.414 nan 8.190 nan 0.000 0.457 470 K N 0.976 121.413 120.400 0.061 0.000 2.063 470 K HA -0.147 4.173 4.320 0.000 0.000 0.208 470 K C 2.283 178.929 176.600 0.077 0.000 1.048 470 K CA 1.620 57.941 56.287 0.057 0.000 0.928 470 K CB -1.161 31.361 32.500 0.037 0.000 0.713 470 K HN 0.520 nan 8.250 nan 0.000 0.442 471 G N 1.541 110.388 108.800 0.079 0.000 2.631 471 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 471 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 471 G C 1.097 176.063 174.900 0.110 0.000 1.214 471 G CA 1.417 46.563 45.100 0.077 0.000 0.785 471 G HN 0.478 nan 8.290 nan 0.000 0.596 472 G N -0.718 108.223 108.800 0.236 0.000 2.518 472 G HA2 0.407 4.367 3.960 0.000 0.000 0.284 472 G HA3 0.407 4.367 3.960 0.000 0.000 0.284 472 G C -0.364 174.660 174.900 0.206 0.000 1.362 472 G CA 0.327 45.591 45.100 0.273 0.000 1.065 472 G HN 0.394 nan 8.290 nan 0.000 0.561 473 D N -2.410 118.105 120.400 0.191 0.000 2.664 473 D HA 0.497 5.137 4.640 0.000 0.000 0.292 473 D C 0.767 177.154 176.300 0.144 0.000 1.214 473 D CA 0.530 54.607 54.000 0.127 0.000 0.932 473 D CB 1.198 42.035 40.800 0.061 0.000 1.420 473 D HN 0.966 nan 8.370 nan 0.000 0.471 474 G N 0.962 109.819 108.800 0.095 0.000 2.582 474 G HA2 -0.309 3.651 3.960 0.000 0.000 0.288 474 G HA3 -0.309 3.651 3.960 0.000 0.000 0.288 474 G C 0.236 175.200 174.900 0.106 0.000 1.247 474 G CA 0.037 45.188 45.100 0.086 0.000 0.972 474 G HN 0.552 nan 8.290 nan 0.000 0.557 475 N N 0.586 119.348 118.700 0.105 0.000 2.410 475 N HA 0.115 4.855 4.740 0.000 0.000 0.231 475 N C -0.071 175.531 175.510 0.153 0.000 1.172 475 N CA 0.226 53.334 53.050 0.097 0.000 0.849 475 N CB 0.041 38.568 38.487 0.068 0.000 1.116 475 N HN 0.471 nan 8.380 nan 0.000 0.485 476 Y N 1.088 121.420 120.300 0.053 0.000 2.393 476 Y HA 0.492 5.042 4.550 0.000 0.000 0.338 476 Y C 0.575 176.541 175.900 0.111 0.000 1.029 476 Y CA -0.611 57.535 58.100 0.077 0.000 1.239 476 Y CB 0.272 38.772 38.460 0.068 0.000 1.170 476 Y HN 0.079 nan 8.280 nan 0.000 0.515 477 G N 4.303 112.872 108.800 -0.385 0.000 2.870 477 G HA2 0.309 4.269 3.960 0.000 0.000 0.299 477 G HA3 0.309 4.269 3.960 0.000 0.000 0.299 477 G C -2.421 172.340 174.900 -0.232 0.000 1.324 477 G CA -0.850 44.050 45.100 -0.334 0.000 0.808 477 G HN 0.525 nan 8.290 nan 0.000 0.535 478 Y N 1.348 121.465 120.300 -0.306 0.000 2.341 478 Y HA 0.597 5.147 4.550 0.000 0.000 0.338 478 Y C -0.428 175.278 175.900 -0.323 0.000 0.965 478 Y CA -1.703 56.087 58.100 -0.516 0.000 1.108 478 Y CB 1.740 39.729 38.460 -0.785 0.000 1.180 478 Y HN 0.410 nan 8.280 nan 0.000 0.458 479 N N 4.951 123.187 118.700 -0.774 0.000 2.469 479 N HA 0.214 4.955 4.740 0.000 0.000 0.239 479 N C 0.503 175.410 175.510 -1.006 0.000 1.053 479 N CA 0.636 53.303 53.050 -0.639 0.000 0.937 479 N CB 1.467 39.750 38.487 -0.341 0.000 1.163 479 N HN 0.956 nan 8.380 nan 0.000 0.509 480 A N 4.077 126.364 122.820 -0.889 0.000 1.940 480 A HA -0.127 4.193 4.320 0.000 0.000 0.219 480 A C 2.106 179.474 177.584 -0.360 0.000 1.176 480 A CA 1.864 53.501 52.037 -0.667 0.000 0.631 480 A CB -0.662 18.167 19.000 -0.284 0.000 0.814 480 A HN 0.724 nan 8.150 nan 0.000 0.446 481 A N -0.669 121.987 122.820 -0.272 0.000 1.978 481 A HA -0.101 4.219 4.320 0.000 0.000 0.220 481 A C 2.269 179.768 177.584 -0.143 0.000 1.170 481 A CA 2.560 54.500 52.037 -0.162 0.000 0.636 481 A CB -0.867 18.057 19.000 -0.127 0.000 0.810 481 A HN 0.892 nan 8.150 nan 0.000 0.448 482 T N -4.983 109.457 114.554 -0.189 0.000 2.975 482 T HA 0.291 4.641 4.350 0.000 0.000 0.257 482 T C 0.283 174.918 174.700 -0.109 0.000 1.003 482 T CA 0.688 62.716 62.100 -0.120 0.000 0.932 482 T CB -0.101 68.712 68.868 -0.092 0.000 1.087 482 T HN 0.555 nan 8.240 nan 0.000 0.512 483 E N 0.828 120.889 120.200 -0.232 0.000 2.694 483 E HA -0.150 4.200 4.350 0.000 0.000 0.272 483 E C -0.789 175.876 176.600 0.109 0.000 1.040 483 E CA 0.541 56.922 56.400 -0.033 0.000 0.809 483 E CB -1.716 28.050 29.700 0.110 0.000 1.389 483 E HN 0.750 nan 8.360 nan 0.000 0.413 484 E N -0.159 119.999 120.200 -0.070 0.000 2.234 484 E HA 0.403 4.754 4.350 0.000 0.000 0.266 484 E C -0.716 175.937 176.600 0.088 0.000 0.877 484 E CA -0.684 55.779 56.400 0.104 0.000 0.758 484 E CB 1.121 30.863 29.700 0.072 0.000 1.170 484 E HN 0.030 nan 8.360 nan 0.000 0.415 485 Y N 0.873 121.306 120.300 0.221 0.000 2.289 485 Y HA 0.663 5.213 4.550 0.000 0.000 0.332 485 Y C 1.278 177.309 175.900 0.219 0.000 1.324 485 Y CA 0.394 58.598 58.100 0.173 0.000 1.478 485 Y CB 1.118 39.687 38.460 0.182 0.000 1.378 485 Y HN 0.723 nan 8.280 nan 0.000 0.558 486 G N 0.027 109.098 108.800 0.452 0.000 2.334 486 G HA2 -0.095 3.865 3.960 0.000 0.000 0.249 486 G HA3 -0.095 3.865 3.960 0.000 0.000 0.249 486 G C -1.565 173.553 174.900 0.365 0.000 1.327 486 G CA -1.012 44.363 45.100 0.459 0.000 0.979 486 G HN 0.560 nan 8.290 nan 0.000 0.471 487 N N 1.672 120.502 118.700 0.216 0.000 2.602 487 N HA 0.187 4.927 4.740 0.000 0.000 0.238 487 N C 1.958 177.516 175.510 0.080 0.000 1.084 487 N CA -0.505 52.636 53.050 0.152 0.000 0.952 487 N CB 0.467 39.019 38.487 0.107 0.000 1.244 487 N HN 0.408 nan 8.380 nan 0.000 0.512 488 M N 2.690 122.322 119.600 0.053 0.000 2.128 488 M HA -0.266 4.214 4.480 0.000 0.000 0.253 488 M C 1.708 178.013 176.300 0.009 0.000 1.079 488 M CA 1.562 56.865 55.300 0.005 0.000 1.082 488 M CB -0.730 31.862 32.600 -0.013 0.000 1.335 488 M HN 0.547 nan 8.290 nan 0.000 0.401 489 I N -0.095 120.489 120.570 0.023 0.000 2.202 489 I HA -0.287 3.883 4.170 0.000 0.000 0.242 489 I C 1.958 178.086 176.117 0.019 0.000 1.091 489 I CA 1.269 62.580 61.300 0.018 0.000 1.368 489 I CB -0.572 37.442 38.000 0.024 0.000 1.058 489 I HN 0.226 nan 8.210 nan 0.000 0.410 490 D N 0.788 121.206 120.400 0.029 0.000 2.144 490 D HA -0.158 4.482 4.640 0.000 0.000 0.199 490 D C 2.111 178.423 176.300 0.020 0.000 0.984 490 D CA 1.378 55.394 54.000 0.027 0.000 0.834 490 D CB -0.203 40.620 40.800 0.038 0.000 0.955 490 D HN 0.327 nan 8.370 nan 0.000 0.465 491 M N -0.637 118.974 119.600 0.019 0.000 2.686 491 M HA 0.119 4.599 4.480 0.000 0.000 0.246 491 M C 1.038 177.332 176.300 -0.010 0.000 1.096 491 M CA 0.693 55.995 55.300 0.004 0.000 1.076 491 M CB 0.186 32.783 32.600 -0.005 0.000 1.504 491 M HN 0.072 nan 8.290 nan 0.000 0.524 492 G N 1.675 110.472 108.800 -0.005 0.000 2.160 492 G HA2 -0.194 3.766 3.960 0.000 0.000 0.244 492 G HA3 -0.194 3.766 3.960 0.000 0.000 0.244 492 G C -0.206 174.684 174.900 -0.018 0.000 1.022 492 G CA -0.370 44.725 45.100 -0.009 0.000 0.741 492 G HN 0.401 nan 8.290 nan 0.000 0.508 493 I N 1.269 121.826 120.570 -0.021 0.000 2.428 493 I HA 0.592 4.762 4.170 0.000 0.000 0.279 493 I C 0.524 176.628 176.117 -0.021 0.000 1.040 493 I CA -0.892 60.389 61.300 -0.032 0.000 1.171 493 I CB 0.282 38.249 38.000 -0.056 0.000 1.312 493 I HN 0.398 nan 8.210 nan 0.000 0.470 494 L N 2.925 124.139 121.223 -0.014 0.000 2.502 494 L HA 0.861 5.201 4.340 0.000 0.000 0.253 494 L C -1.531 175.336 176.870 -0.005 0.000 1.070 494 L CA -0.812 54.024 54.840 -0.007 0.000 0.871 494 L CB 2.812 44.871 42.059 0.000 0.000 1.487 494 L HN 0.031 nan 8.230 nan 0.000 0.408 495 D N -0.151 120.248 120.400 -0.001 0.000 2.896 495 D HA 0.421 5.061 4.640 0.000 0.000 0.241 495 D C -2.790 173.512 176.300 0.004 0.000 1.188 495 D CA -1.183 52.817 54.000 -0.000 0.000 0.879 495 D CB 2.522 43.320 40.800 -0.002 0.000 1.553 495 D HN 0.319 nan 8.370 nan 0.000 0.515 496 P HA 0.006 nan 4.420 nan 0.000 0.260 496 P C 0.927 178.230 177.300 0.005 0.000 1.185 496 P CA 0.284 63.390 63.100 0.009 0.000 0.763 496 P CB 0.574 32.283 31.700 0.015 0.000 0.776 497 T N 3.219 117.776 114.554 0.004 0.000 2.653 497 T HA -0.303 4.047 4.350 0.000 0.000 0.267 497 T C 1.632 176.329 174.700 -0.004 0.000 1.037 497 T CA 1.754 63.855 62.100 0.001 0.000 1.159 497 T CB -0.425 68.444 68.868 0.001 0.000 0.859 497 T HN 0.508 nan 8.240 nan 0.000 0.449 498 K N 0.681 121.080 120.400 -0.003 0.000 2.015 498 K HA -0.220 4.100 4.320 0.000 0.000 0.220 498 K C 2.451 179.043 176.600 -0.013 0.000 1.055 498 K CA 2.404 58.686 56.287 -0.008 0.000 0.951 498 K CB -0.664 31.836 32.500 0.001 0.000 0.725 498 K HN 0.371 nan 8.250 nan 0.000 0.449 499 V N -0.544 119.368 119.914 -0.003 0.000 2.252 499 V HA -0.274 3.846 4.120 0.000 0.000 0.249 499 V C 2.000 178.092 176.094 -0.002 0.000 1.056 499 V CA 2.633 64.933 62.300 -0.000 0.000 1.022 499 V CB -1.517 30.307 31.823 0.001 0.000 0.641 499 V HN 0.441 nan 8.190 nan 0.000 0.445 500 T N 0.222 114.774 114.554 -0.003 0.000 2.653 500 T HA -0.297 4.053 4.350 0.000 0.000 0.268 500 T C 1.946 176.640 174.700 -0.010 0.000 1.035 500 T CA 2.668 64.767 62.100 -0.003 0.000 1.154 500 T CB -0.470 68.397 68.868 -0.002 0.000 0.862 500 T HN 0.673 nan 8.240 nan 0.000 0.441 501 R N 0.838 121.325 120.500 -0.022 0.000 2.088 501 R HA -0.135 4.205 4.340 0.000 0.000 0.232 501 R C 2.661 178.920 176.300 -0.068 0.000 1.136 501 R CA 1.986 58.061 56.100 -0.041 0.000 0.926 501 R CB -0.578 29.693 30.300 -0.048 0.000 0.837 501 R HN 0.304 nan 8.270 nan 0.000 0.429 502 S N 0.915 116.562 115.700 -0.088 0.000 2.422 502 S HA -0.344 4.127 4.470 0.000 0.000 0.248 502 S C 2.080 176.641 174.600 -0.065 0.000 1.069 502 S CA 1.772 59.882 58.200 -0.150 0.000 1.214 502 S CB -0.945 62.221 63.200 -0.056 0.000 1.122 502 S HN 0.643 nan 8.310 nan 0.000 0.432 503 A N 2.251 125.091 122.820 0.035 0.000 1.870 503 A HA -0.192 4.128 4.320 0.000 0.000 0.219 503 A C 2.145 179.770 177.584 0.069 0.000 1.224 503 A CA 2.064 54.152 52.037 0.084 0.000 0.650 503 A CB -1.199 17.829 19.000 0.047 0.000 0.836 503 A HN 0.461 nan 8.150 nan 0.000 0.454 504 L N -0.347 120.890 121.223 0.023 0.000 2.013 504 L HA -0.281 4.059 4.340 0.000 0.000 0.212 504 L C 2.604 179.482 176.870 0.013 0.000 1.073 504 L CA 2.765 57.614 54.840 0.016 0.000 0.753 504 L CB -1.163 40.896 42.059 -0.000 0.000 0.890 504 L HN 0.618 nan 8.230 nan 0.000 0.432 505 Q N -1.366 118.413 119.800 -0.034 0.000 2.050 505 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 505 Q C 2.107 178.117 176.000 0.017 0.000 0.980 505 Q CA 1.781 57.546 55.803 -0.062 0.000 0.840 505 Q CB -0.318 28.314 28.738 -0.178 0.000 0.898 505 Q HN 0.458 nan 8.270 nan 0.000 0.424 506 Y N 0.663 120.962 120.300 -0.002 0.000 2.097 506 Y HA -0.248 4.302 4.550 0.000 0.000 0.282 506 Y C 2.486 178.385 175.900 -0.002 0.000 1.152 506 Y CA 0.894 58.993 58.100 -0.002 0.000 1.136 506 Y CB -1.031 37.426 38.460 -0.004 0.000 0.975 506 Y HN 0.148 nan 8.280 nan 0.000 0.498 507 A N 0.013 122.937 122.820 0.172 0.000 1.892 507 A HA -0.215 4.105 4.320 0.000 0.000 0.218 507 A C 2.545 180.172 177.584 0.070 0.000 1.188 507 A CA 2.459 54.550 52.037 0.090 0.000 0.631 507 A CB -1.396 17.640 19.000 0.061 0.000 0.822 507 A HN 0.427 nan 8.150 nan 0.000 0.447 508 A N -0.650 122.208 122.820 0.062 0.000 1.873 508 A HA -0.191 4.129 4.320 0.000 0.000 0.218 508 A C 2.468 180.083 177.584 0.052 0.000 1.193 508 A CA 2.606 54.669 52.037 0.043 0.000 0.629 508 A CB -1.313 17.703 19.000 0.027 0.000 0.826 508 A HN 0.750 nan 8.150 nan 0.000 0.447 509 S N -0.884 114.864 115.700 0.080 0.000 2.427 509 S HA -0.236 4.234 4.470 0.000 0.000 0.231 509 S C 1.980 176.617 174.600 0.061 0.000 1.045 509 S CA 2.538 60.791 58.200 0.088 0.000 1.154 509 S CB -1.024 62.280 63.200 0.174 0.000 1.093 509 S HN 0.924 nan 8.310 nan 0.000 0.422 510 V N 2.239 122.190 119.914 0.061 0.000 2.282 510 V HA -0.149 3.971 4.120 0.000 0.000 0.249 510 V C 2.634 178.742 176.094 0.023 0.000 1.057 510 V CA 2.561 64.879 62.300 0.030 0.000 1.032 510 V CB -1.520 30.312 31.823 0.015 0.000 0.645 510 V HN 0.699 nan 8.190 nan 0.000 0.447 511 A N 0.212 123.048 122.820 0.026 0.000 1.852 511 A HA -0.190 4.130 4.320 0.000 0.000 0.217 511 A C 2.468 180.060 177.584 0.014 0.000 1.215 511 A CA 2.614 54.662 52.037 0.018 0.000 0.641 511 A CB -1.794 17.218 19.000 0.020 0.000 0.838 511 A HN 0.767 nan 8.150 nan 0.000 0.450 512 G N -0.781 108.029 108.800 0.017 0.000 2.440 512 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 512 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 512 G C 1.445 176.352 174.900 0.011 0.000 1.154 512 G CA 1.257 46.364 45.100 0.013 0.000 0.767 512 G HN 0.401 nan 8.290 nan 0.000 0.552 513 L N 0.321 121.552 121.223 0.014 0.000 2.034 513 L HA -0.136 4.204 4.340 0.000 0.000 0.217 513 L C 3.008 179.880 176.870 0.003 0.000 1.077 513 L CA 1.864 56.711 54.840 0.010 0.000 0.769 513 L CB -0.399 41.669 42.059 0.014 0.000 0.890 513 L HN 0.280 nan 8.230 nan 0.000 0.435 514 M N -1.725 117.876 119.600 0.003 0.000 2.098 514 M HA -0.186 4.294 4.480 0.000 0.000 0.262 514 M C 2.150 178.447 176.300 -0.005 0.000 1.072 514 M CA 1.649 56.947 55.300 -0.003 0.000 1.133 514 M CB -0.355 32.243 32.600 -0.002 0.000 1.344 514 M HN 0.159 nan 8.290 nan 0.000 0.414 515 I N 0.322 120.892 120.570 -0.000 0.000 2.761 515 I HA -0.246 3.924 4.170 0.000 0.000 0.266 515 I C 1.779 177.897 176.117 0.000 0.000 1.239 515 I CA 1.394 62.694 61.300 0.000 0.000 1.451 515 I CB -0.712 37.290 38.000 0.004 0.000 1.096 515 I HN 0.462 nan 8.210 nan 0.000 0.465 516 T N -4.653 109.901 114.554 0.000 0.000 3.044 516 T HA 0.145 4.495 4.350 0.000 0.000 0.260 516 T C 0.673 175.371 174.700 -0.004 0.000 1.019 516 T CA -0.254 61.846 62.100 0.001 0.000 0.921 516 T CB -0.182 68.689 68.868 0.004 0.000 1.053 516 T HN -0.034 nan 8.240 nan 0.000 0.533 517 T N 2.828 117.376 114.554 -0.010 0.000 2.832 517 T HA 0.289 4.639 4.350 0.000 0.000 0.296 517 T C 0.567 175.251 174.700 -0.027 0.000 0.968 517 T CA -0.373 61.714 62.100 -0.022 0.000 1.107 517 T CB 1.307 70.158 68.868 -0.028 0.000 0.916 517 T HN 0.116 nan 8.240 nan 0.000 0.517 518 E N 0.467 120.646 120.200 -0.034 0.000 2.514 518 E HA 0.186 4.536 4.350 0.000 0.000 0.215 518 E C 0.086 176.623 176.600 -0.105 0.000 0.946 518 E CA 0.051 56.437 56.400 -0.022 0.000 1.038 518 E CB 0.808 30.524 29.700 0.027 0.000 1.069 518 E HN 0.544 nan 8.360 nan 0.000 0.503 519 C N 0.443 119.637 119.300 -0.176 0.000 2.994 519 C HA 0.712 5.172 4.460 0.000 0.000 0.305 519 C C -1.468 173.385 174.990 -0.229 0.000 1.251 519 C CA -0.509 58.294 59.018 -0.358 0.000 1.478 519 C CB 0.839 28.309 27.740 -0.449 0.000 1.922 519 C HN 0.144 nan 8.230 nan 0.000 0.472 520 M N 4.415 123.874 119.600 -0.235 0.000 2.324 520 M HA 0.521 5.001 4.480 0.000 0.000 0.288 520 M C -1.202 175.181 176.300 0.138 0.000 1.097 520 M CA -0.433 54.858 55.300 -0.015 0.000 0.928 520 M CB 2.074 34.691 32.600 0.028 0.000 1.648 520 M HN 0.371 nan 8.290 nan 0.000 0.460 521 V N 1.155 121.139 119.914 0.115 0.000 2.628 521 V HA 0.909 5.029 4.120 0.000 0.000 0.306 521 V C -0.194 175.911 176.094 0.019 0.000 1.045 521 V CA -0.374 61.974 62.300 0.081 0.000 0.905 521 V CB 2.106 33.935 31.823 0.010 0.000 0.997 521 V HN 0.952 nan 8.190 nan 0.000 0.436 522 T N 1.212 115.719 114.554 -0.079 0.000 2.700 522 T HA 0.292 4.643 4.350 0.000 0.000 0.307 522 T C -1.648 172.947 174.700 -0.175 0.000 1.580 522 T CA -0.579 61.408 62.100 -0.189 0.000 0.992 522 T CB 1.858 70.470 68.868 -0.427 0.000 1.577 522 T HN 0.648 nan 8.240 nan 0.000 0.496 523 D N 1.031 121.335 120.400 -0.161 0.000 2.384 523 D HA 0.405 5.045 4.640 0.000 0.000 0.244 523 D C 0.129 176.344 176.300 -0.141 0.000 1.251 523 D CA -0.101 53.829 54.000 -0.117 0.000 0.961 523 D CB 0.447 41.194 40.800 -0.089 0.000 1.116 523 D HN 0.408 nan 8.370 nan 0.000 0.484 524 L N 1.776 122.945 121.223 -0.089 0.000 2.334 524 L HA 0.298 4.638 4.340 0.000 0.000 0.277 524 L C -1.278 175.550 176.870 -0.070 0.000 1.075 524 L CA -1.502 53.292 54.840 -0.076 0.000 0.804 524 L CB 0.627 42.663 42.059 -0.038 0.000 1.174 524 L HN 0.312 nan 8.230 nan 0.000 0.438 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.070 63.100 -0.051 0.000 0.800 525 P CB 0.000 31.679 31.700 -0.036 0.000 0.726